smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc(Cl)cc(CN2CCN(Cc3ccncc3)CC2)c1O ZINC000153203036 728774443 /nfs/dbraw/zinc/77/44/43/728774443.db2.gz JYVIYMWSSCFJMM-UHFFFAOYSA-N 0 0 359.857 2.961 20 10 FFCDRN C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCO1 ZINC000153618991 728784423 /nfs/dbraw/zinc/78/44/23/728784423.db2.gz UIHQENGCZDHPGA-FZKQIMNGSA-N 0 0 354.397 2.942 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ncccc1F ZINC000153795301 728788461 /nfs/dbraw/zinc/78/84/61/728788461.db2.gz GTXZRRQGGUQACE-UHFFFAOYSA-N 0 0 360.458 2.773 20 10 FFCDRN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(F)c1F ZINC000153841762 728789825 /nfs/dbraw/zinc/78/98/25/728789825.db2.gz XHIXDYXEEZKNDO-SECBINFHSA-N 0 0 370.377 2.533 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@H](O)c1ccccc1F ZINC000154682208 728809961 /nfs/dbraw/zinc/80/99/61/728809961.db2.gz ODIFVQJSDHIIIQ-CYBMUJFWSA-N 0 0 355.460 2.797 20 10 FFCDRN CN(CC1CCOCC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000157649835 728874821 /nfs/dbraw/zinc/87/48/21/728874821.db2.gz FAZHJHGGFGPDBQ-UHFFFAOYSA-N 0 0 363.527 2.808 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc(I)c1 ZINC000158932947 728897400 /nfs/dbraw/zinc/89/74/00/728897400.db2.gz GQMVFSVPGMISIQ-UHFFFAOYSA-N 0 0 369.158 2.632 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-] ZINC000159635940 728910190 /nfs/dbraw/zinc/91/01/90/728910190.db2.gz LWSJIDSCUJOEIU-UHFFFAOYSA-N 0 0 356.787 2.775 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000161179932 728929743 /nfs/dbraw/zinc/92/97/43/728929743.db2.gz CWWKFDDSFIVAPQ-QMMMGPOBSA-N 0 0 361.341 2.858 20 10 FFCDRN CN(C)c1cccc(CNC(=O)NCCCSc2nccs2)n1 ZINC000162235794 728941115 /nfs/dbraw/zinc/94/11/15/728941115.db2.gz UVZUZIXEBBXLLE-UHFFFAOYSA-N 0 0 351.501 2.586 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCN2C(=S)N=NC2C)cc1 ZINC000743498580 735301758 /nfs/dbraw/zinc/30/17/58/735301758.db2.gz JFBIAVXZLBNIOA-UHFFFAOYSA-N 0 0 355.467 2.713 20 10 FFCDRN C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000744439001 735355339 /nfs/dbraw/zinc/35/53/39/735355339.db2.gz WYLUUOQJMANRFP-CYBMUJFWSA-N 0 0 350.415 2.562 20 10 FFCDRN CO[C@@H]1CCC[C@H]([C@H](CO)NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898586359 735387353 /nfs/dbraw/zinc/38/73/53/735387353.db2.gz GBHCTVLUBNYSLN-UHTWSYAYSA-N 0 0 365.451 2.608 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCN1CCSCC1 ZINC000745816797 735445617 /nfs/dbraw/zinc/44/56/17/735445617.db2.gz NPSISAMRPSQDJJ-UHFFFAOYSA-N 0 0 364.559 2.721 20 10 FFCDRN COc1ccc(N2CCN(Cn3nc4ccccn4c3=S)CC2)cc1 ZINC000007075076 727789129 /nfs/dbraw/zinc/78/91/29/727789129.db2.gz UPXBRXVABJGKAX-UHFFFAOYSA-N 0 0 355.467 2.654 20 10 FFCDRN COC(=O)c1sccc1NC(=O)CN1CCCc2cc(OC)ccc21 ZINC000011419844 727810040 /nfs/dbraw/zinc/81/00/40/727810040.db2.gz SYWWXEUPOKETNB-UHFFFAOYSA-N 0 0 360.435 2.935 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(S(C)(=O)=O)c2)cc1 ZINC000015135041 727819493 /nfs/dbraw/zinc/81/94/93/727819493.db2.gz XSYDDAAWTXRUNU-UHFFFAOYSA-N 0 0 366.870 2.740 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C\c2cnc(F)cc2C)SC1=S ZINC000899260497 735467610 /nfs/dbraw/zinc/46/76/10/735467610.db2.gz IQOICDNCCBEDED-YRNVUSSQSA-N 0 0 354.428 2.684 20 10 FFCDRN Cc1cc(/C=C2/c3cc(S(N)(=O)=O)ccc3NC2=O)c(C)n1C1CC1 ZINC000055040458 728094226 /nfs/dbraw/zinc/09/42/26/728094226.db2.gz LCLFSXJVJHXONV-PXNMLYILSA-N 0 0 357.435 2.580 20 10 FFCDRN O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)OCC(=O)c1ccc(O)c(O)c1 ZINC000924328849 738403203 /nfs/dbraw/zinc/40/32/03/738403203.db2.gz QQYPTLLCWMXIGK-YGRLFVJLSA-N 0 0 362.300 2.714 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3ccc(C)s3)C2)cc1 ZINC000062575187 728133336 /nfs/dbraw/zinc/13/33/36/728133336.db2.gz ZMVFCQHLAAINEQ-AWEZNQCLSA-N 0 0 366.508 2.870 20 10 FFCDRN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)c3cc4cc(O)c(O)cc4s3)O2)CO1 ZINC000899476940 735501638 /nfs/dbraw/zinc/50/16/38/735501638.db2.gz ODYZCCQQGOLKDZ-AJLCLMPTSA-N 0 0 363.435 2.769 20 10 FFCDRN CC(C)CCO[C@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000068794847 728193480 /nfs/dbraw/zinc/19/34/80/728193480.db2.gz BNMAMTAZZYOWHZ-OAHLLOKOSA-N 0 0 352.450 2.730 20 10 FFCDRN Cc1cc(C(=O)CN(C)CCS(C)(=O)=O)c(C)n1-c1ccccc1C ZINC000076304762 728259655 /nfs/dbraw/zinc/25/96/55/728259655.db2.gz MLQUMOLTNSIIDB-UHFFFAOYSA-N 0 0 362.495 2.562 20 10 FFCDRN CSCC[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000077348569 728273956 /nfs/dbraw/zinc/27/39/56/728273956.db2.gz OYWHFPOIJDAVDI-ZDUSSCGKSA-N 0 0 355.479 2.603 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(Cl)nc1 ZINC000079606625 728315069 /nfs/dbraw/zinc/31/50/69/728315069.db2.gz XKHZQDISSZUKLI-UHFFFAOYSA-N 0 0 359.857 2.874 20 10 FFCDRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCCCSc1nccs1 ZINC000081724616 728403521 /nfs/dbraw/zinc/40/35/21/728403521.db2.gz KXVJDWNNBHPHAQ-UHFFFAOYSA-N 0 0 366.512 2.745 20 10 FFCDRN CCC[C@](C)(CO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000086367678 728432042 /nfs/dbraw/zinc/43/20/42/728432042.db2.gz VCMWNUJGLBUPCQ-GOSISDBHSA-N 0 0 351.516 2.590 20 10 FFCDRN Cc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1S(C)(=O)=O ZINC000089312654 728441866 /nfs/dbraw/zinc/44/18/66/728441866.db2.gz XQXNPONPBSFULK-UHFFFAOYSA-N 0 0 361.467 2.786 20 10 FFCDRN O=C(Cc1ccc(Br)cc1)NCCc1ccc(O)c(O)c1 ZINC000098074524 728484158 /nfs/dbraw/zinc/48/41/58/728484158.db2.gz DFBXSZFNOWLYFU-UHFFFAOYSA-N 0 0 350.212 2.762 20 10 FFCDRN COc1cccc(CNC(=O)COc2cccc(Br)c2)c1O ZINC000105653055 728507736 /nfs/dbraw/zinc/50/77/36/728507736.db2.gz DBYNTFVQCWYBCN-UHFFFAOYSA-N 0 0 366.211 2.859 20 10 FFCDRN CCC[C@H](C)CS(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000113280729 728553899 /nfs/dbraw/zinc/55/38/99/728553899.db2.gz GDDFRZORBJQRSA-AWEZNQCLSA-N 0 0 358.479 2.518 20 10 FFCDRN C[C@@H](CC(=O)NCCCSc1nccs1)NC(=O)C1CCCC1 ZINC000114374176 728559545 /nfs/dbraw/zinc/55/95/45/728559545.db2.gz UCYXHGFSXGIMAC-LBPRGKRZSA-N 0 0 355.529 2.827 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCCOc2cccc(Cl)c2)c1 ZINC000114589575 728561697 /nfs/dbraw/zinc/56/16/97/728561697.db2.gz DXABEMKFVQRGIC-UHFFFAOYSA-N 0 0 350.802 2.932 20 10 FFCDRN C[C@H](Sc1nncn1C)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000116033963 728569063 /nfs/dbraw/zinc/56/90/63/728569063.db2.gz LPOIIAPSALZACQ-AWEZNQCLSA-N 0 0 359.499 2.602 20 10 FFCDRN CCCCn1nc(C)c(/C=C2\SC(N3CCOCC3)=NC2=O)c1Cl ZINC000747147996 735538479 /nfs/dbraw/zinc/53/84/79/735538479.db2.gz MQSQNQKYVLGKEX-RAXLEYEMSA-N 0 0 368.890 2.948 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCCO1 ZINC000124995327 728677039 /nfs/dbraw/zinc/67/70/39/728677039.db2.gz FEDQDQIWUJKTSI-CJNGLKHVSA-N 0 0 354.397 2.942 20 10 FFCDRN C[C@](O)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccs1 ZINC000127933572 728707659 /nfs/dbraw/zinc/70/76/59/728707659.db2.gz DAMLZIPPOYUGLP-IBGZPJMESA-N 0 0 357.479 2.831 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2cccc(Cl)c2Cl)c1O ZINC000129878097 728713792 /nfs/dbraw/zinc/71/37/92/728713792.db2.gz GJDMEPPAZLOLSZ-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN C[C@H]1CCCCN1C(=O)CN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000133736852 728727742 /nfs/dbraw/zinc/72/77/42/728727742.db2.gz MEYLXFHCJQSHKT-HNNXBMFYSA-N 0 0 365.905 2.564 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCc2n[nH]cc21 ZINC000134647184 728731714 /nfs/dbraw/zinc/73/17/14/728731714.db2.gz KYSHPMRGXHSPDY-INIZCTEOSA-N 0 0 356.495 2.699 20 10 FFCDRN O=C(NCCCSc1nccs1)c1c[nH]c(=O)c(Br)c1 ZINC000173702461 729052521 /nfs/dbraw/zinc/05/25/21/729052521.db2.gz YNIWWUHHHXMFFG-UHFFFAOYSA-N 0 0 374.285 2.506 20 10 FFCDRN Cc1cc(-n2cncn2)ccc1C(=O)NCCCSc1nccs1 ZINC000173702532 729052623 /nfs/dbraw/zinc/05/26/23/729052623.db2.gz INZYIVYAZNCVTO-UHFFFAOYSA-N 0 0 359.480 2.944 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc[nH]n1 ZINC000174057465 729061337 /nfs/dbraw/zinc/06/13/37/729061337.db2.gz FBJOZNDGPQXYJQ-UHFFFAOYSA-N 0 0 353.220 2.610 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000924501775 738420753 /nfs/dbraw/zinc/42/07/53/738420753.db2.gz VVZYZLGOXCSCKR-CHIMOYNISA-N 0 0 362.348 2.871 20 10 FFCDRN COc1ccc(N2CCN(Cn3nc(C(F)F)n(C)c3=S)CC2)cc1 ZINC000181311618 729241833 /nfs/dbraw/zinc/24/18/33/729241833.db2.gz IPZRDMQAJCOPLM-UHFFFAOYSA-N 0 0 369.441 2.677 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)c3ccc(N)cc3)cc2)CC1 ZINC000185973172 729358883 /nfs/dbraw/zinc/35/88/83/729358883.db2.gz CUVNURYYPHKJFP-UHFFFAOYSA-N 0 0 359.495 2.984 20 10 FFCDRN CC1(C)CC[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC000186347046 729363514 /nfs/dbraw/zinc/36/35/14/729363514.db2.gz ZAZBCYKWMSPSLF-KRWDZBQOSA-N 0 0 363.527 2.997 20 10 FFCDRN O=C(c1cn2ccnc2s1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000189000905 729394981 /nfs/dbraw/zinc/39/49/81/729394981.db2.gz ASTYMJXWLHHAEE-CQSZACIVSA-N 0 0 357.435 2.923 20 10 FFCDRN Nc1ccc(CC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)cc1 ZINC000195281188 729534360 /nfs/dbraw/zinc/53/43/60/729534360.db2.gz CCUNGYGNVZGWTA-UHFFFAOYSA-N 0 0 351.328 2.742 20 10 FFCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000779028343 738430957 /nfs/dbraw/zinc/43/09/57/738430957.db2.gz HFFXNQPYMBQTGY-WBMJQRKESA-N 0 0 354.422 2.645 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(CC(F)(F)F)CC2)c1O ZINC000320604037 729750897 /nfs/dbraw/zinc/75/08/97/729750897.db2.gz YLVJNSKAYLSFFA-UHFFFAOYSA-N 0 0 350.768 2.928 20 10 FFCDRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000382736687 729835195 /nfs/dbraw/zinc/83/51/95/729835195.db2.gz MZLCPRBBQVVJTC-ZDUSSCGKSA-N 0 0 356.850 2.771 20 10 FFCDRN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907640417 736650729 /nfs/dbraw/zinc/65/07/29/736650729.db2.gz RFXMTNNIKOKOAN-RDGWCUKFSA-N 0 0 361.419 2.726 20 10 FFCDRN COCc1ccsc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212776 730316251 /nfs/dbraw/zinc/31/62/51/730316251.db2.gz RSLFRDWVNSOZTN-UHFFFAOYSA-N 0 0 360.479 2.786 20 10 FFCDRN COC(=O)c1ccnc(NCCCSc2nccs2)c1[N+](=O)[O-] ZINC000856730553 730351155 /nfs/dbraw/zinc/35/11/55/730351155.db2.gz FCUOVEXEWJUCAJ-UHFFFAOYSA-N 0 0 354.413 2.827 20 10 FFCDRN CN(C)c1cc(F)c(C[NH2+]C[C@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000858171310 730418614 /nfs/dbraw/zinc/41/86/14/730418614.db2.gz UUHNHZVGTGNJLK-ZDUSSCGKSA-N 0 0 366.433 2.692 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ocnc1C(F)F ZINC000858201005 730419556 /nfs/dbraw/zinc/41/95/56/730419556.db2.gz GIAGJAYHFRPNHG-UHFFFAOYSA-N 0 0 351.353 2.721 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)[C@H]3C[C@]3(C)Br)CC2)cc1 ZINC000859097732 730441845 /nfs/dbraw/zinc/44/18/45/730441845.db2.gz UDZHVSSEHMLJLM-WBVHZDCISA-N 0 0 367.287 2.954 20 10 FFCDRN CSC[C@@H](CCO)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000860166101 730483043 /nfs/dbraw/zinc/48/30/43/730483043.db2.gz WYOBKCATNWUQKW-QGZVFWFLSA-N 0 0 360.479 2.750 20 10 FFCDRN CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2ccc(O)c(O)c2)CCC1 ZINC000860243461 730493442 /nfs/dbraw/zinc/49/34/42/730493442.db2.gz NTWNEMJGLWCFNI-UHFFFAOYSA-N 0 0 350.415 2.504 20 10 FFCDRN Cc1oc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1S(C)(=O)=O ZINC000860949790 730561076 /nfs/dbraw/zinc/56/10/76/730561076.db2.gz DNKAILSTTWCCDB-NSHDSACASA-N 0 0 350.440 2.549 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000862131311 730669060 /nfs/dbraw/zinc/66/90/60/730669060.db2.gz XSWXWJQCMIBTGD-CQSZACIVSA-N 0 0 358.825 2.824 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)cc1F ZINC000862243021 730680656 /nfs/dbraw/zinc/68/06/56/730680656.db2.gz ANTHCRGRUPCCBG-RDJZCZTQSA-N 0 0 358.454 2.572 20 10 FFCDRN O=S1(=O)CCN(Cc2c(O)cccc2Br)[C@@H]2CCCC[C@@H]21 ZINC000862244047 730680730 /nfs/dbraw/zinc/68/07/30/730680730.db2.gz VGLYQCDMEMRCKX-HIFRSBDPSA-N 0 0 374.300 2.696 20 10 FFCDRN C[C@H]1OCC[C@@]12CN(Cc1c(O)cccc1Br)C[C@@H](C)O2 ZINC000862351096 730690499 /nfs/dbraw/zinc/69/04/99/730690499.db2.gz GMDQTFISNLASAX-XHBSWPGZSA-N 0 0 356.260 2.923 20 10 FFCDRN C[C@@](CO)(NCc1c(O)cccc1Br)c1cccc(O)c1 ZINC000862432770 730702306 /nfs/dbraw/zinc/70/23/06/730702306.db2.gz MMCFEPPWPJQEFS-INIZCTEOSA-N 0 0 352.228 2.858 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000862758054 730723640 /nfs/dbraw/zinc/72/36/40/730723640.db2.gz NDSUHNPXXQBIMY-SFHVURJKSA-N 0 0 352.406 2.666 20 10 FFCDRN Cc1cc(CC(=O)N[C@@H]2COCCC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000862932855 730735849 /nfs/dbraw/zinc/73/58/49/730735849.db2.gz UQJHAHOLYGKQMU-QGZVFWFLSA-N 0 0 360.841 2.764 20 10 FFCDRN CCO[C@@H](CS(=O)(=O)Nc1ccc(O)c(COC(C)C)c1)C1CC1 ZINC000863409218 730777818 /nfs/dbraw/zinc/77/78/18/730777818.db2.gz ABISMOJDSDCLGD-KRWDZBQOSA-N 0 0 357.472 2.874 20 10 FFCDRN Cc1scc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c1C ZINC000864356500 730841317 /nfs/dbraw/zinc/84/13/17/730841317.db2.gz PFMRFVMCDAMJJR-NTEUORMPSA-N 0 0 368.549 2.898 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cnn(CC2CC2)c1 ZINC000864919567 730891746 /nfs/dbraw/zinc/89/17/46/730891746.db2.gz ZOKHEIVFZFACKH-UHFFFAOYSA-N 0 0 356.495 2.776 20 10 FFCDRN CCOCCCCCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000864931951 730893174 /nfs/dbraw/zinc/89/31/74/730893174.db2.gz QXBVOEOFNAEJPX-UHFFFAOYSA-N 0 0 352.450 2.875 20 10 FFCDRN CCOC(C)(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000864931471 730893203 /nfs/dbraw/zinc/89/32/03/730893203.db2.gz MKJOCYUSMMZTHX-ZIAGYGMSSA-N 0 0 352.450 2.871 20 10 FFCDRN O=C1CN(Cc2ccccc2O)C(=O)N1CCSCCC(F)(F)F ZINC000865329196 730941990 /nfs/dbraw/zinc/94/19/90/730941990.db2.gz WOYPQJIQETZPSY-UHFFFAOYSA-N 0 0 362.373 2.842 20 10 FFCDRN COC(=O)c1cc(OCc2nccn2CC(F)(F)F)ccc1N(C)C ZINC000865395830 730949732 /nfs/dbraw/zinc/94/97/32/730949732.db2.gz CTLBLMNFHPCCBB-UHFFFAOYSA-N 0 0 357.332 2.877 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000779898787 738495259 /nfs/dbraw/zinc/49/52/59/738495259.db2.gz GALPJYOMBADHDP-SNVBAGLBSA-N 0 0 357.378 2.860 20 10 FFCDRN CC(C)(C)n1cccc(C(=O)NCCCSc2nccs2)c1=O ZINC000865783737 730997109 /nfs/dbraw/zinc/99/71/09/730997109.db2.gz ATBQJANIJJYVCX-UHFFFAOYSA-N 0 0 351.497 2.972 20 10 FFCDRN C[C@]1(C(=O)NCCCSc2nccs2)Oc2ccccc2NC1=O ZINC000865783435 730997153 /nfs/dbraw/zinc/99/71/53/730997153.db2.gz PTAXVNRLRUTFRW-MRXNPFEDSA-N 0 0 363.464 2.531 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc(Br)no1 ZINC000865904433 731009745 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CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836062 731232469 /nfs/dbraw/zinc/23/24/69/731232469.db2.gz CPZRFDDYDCQZCY-XJKSGUPXSA-N 0 0 367.442 2.769 20 10 FFCDRN CCOC1CC2(C[C@H]2C(=O)NCc2cc(Br)ccc2O)C1 ZINC000868307023 731279913 /nfs/dbraw/zinc/27/99/13/731279913.db2.gz LUTVTEYJMYWNLW-UYJPIKCFSA-N 0 0 354.244 2.976 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4CSC[C@@H]4C3)C2)cc1 ZINC000868762300 731328262 /nfs/dbraw/zinc/32/82/62/731328262.db2.gz NNEHXNFGZXOHBN-JYJNAYRXSA-N 0 0 361.511 2.668 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4CSC[C@@H]4C3)C2)cc1 ZINC000868762302 731328303 /nfs/dbraw/zinc/32/83/03/731328303.db2.gz NNEHXNFGZXOHBN-PMPSAXMXSA-N 0 0 361.511 2.668 20 10 FFCDRN COc1ccc(C(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000773760550 737933452 /nfs/dbraw/zinc/93/34/52/737933452.db2.gz BORYHDRCMYCMPX-SNVBAGLBSA-N 0 0 363.797 2.690 20 10 FFCDRN CCc1ncsc1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000870165005 731477892 /nfs/dbraw/zinc/47/78/92/731477892.db2.gz 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CN1CC[NH+](C2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)CC1 ZINC000877747600 732423013 /nfs/dbraw/zinc/42/30/13/732423013.db2.gz SYZZDIJNZYPPPJ-UHFFFAOYSA-N 0 0 358.313 2.911 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)c1O ZINC000926411532 738612371 /nfs/dbraw/zinc/61/23/71/738612371.db2.gz MKIZXDQBMMHNTF-DGCLKSJQSA-N 0 0 362.348 2.700 20 10 FFCDRN CSc1nccnc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878780452 732592679 /nfs/dbraw/zinc/59/26/79/732592679.db2.gz LOCXACPRUMYWOU-AWEZNQCLSA-N 0 0 359.451 2.726 20 10 FFCDRN CCOc1ccc(N(Cc2coc(S(N)(=O)=O)c2)CC2CC2)cc1 ZINC000879117540 732650119 /nfs/dbraw/zinc/65/01/19/732650119.db2.gz VXWLXUJZOTYBTC-UHFFFAOYSA-N 0 0 350.440 2.742 20 10 FFCDRN COc1ccc(N2CCN(Cc3nnc(C4CC4)s3)CC2)c(OC)c1 ZINC000879462879 732706011 /nfs/dbraw/zinc/70/60/11/732706011.db2.gz YVACIMXTSKTBRS-UHFFFAOYSA-N 0 0 360.483 2.755 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCCNc2ncccn2)c1 ZINC000781632772 738642952 /nfs/dbraw/zinc/64/29/52/738642952.db2.gz LJDBAHDACJUKJP-UHFFFAOYSA-N 0 0 351.248 2.845 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)c1 ZINC000781631659 738643086 /nfs/dbraw/zinc/64/30/86/738643086.db2.gz BKXMVPHERMPDLS-MPKXVKKWSA-N 0 0 353.260 2.562 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](CO)Cc2ccco2)c1 ZINC000781635231 738643705 /nfs/dbraw/zinc/64/37/05/738643705.db2.gz KRZDREQVILTHHV-LBPRGKRZSA-N 0 0 354.244 2.997 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000781907873 738670840 /nfs/dbraw/zinc/67/08/40/738670840.db2.gz GHUPBFSZKSUDKG-AWEZNQCLSA-N 0 0 369.303 2.617 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCC[C@H]2C(=O)NC2CC2)c1 ZINC000781896703 738668836 /nfs/dbraw/zinc/66/88/36/738668836.db2.gz MLBMIVDSNXGXDJ-AWEZNQCLSA-N 0 0 353.260 2.706 20 10 FFCDRN CC1(C)[C@@H](CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)C1(F)F ZINC000881786373 733108626 /nfs/dbraw/zinc/10/86/26/733108626.db2.gz VABFMENWWZOGKR-OAHLLOKOSA-N 0 0 358.454 2.998 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCOC[C@H]1C ZINC000881801688 733111180 /nfs/dbraw/zinc/11/11/80/733111180.db2.gz BDYSFUPGMZMKDS-QAPCUYQASA-N 0 0 354.516 2.718 20 10 FFCDRN CC(=O)c1ccc(S(=O)(=O)NCCCSc2nccs2)cc1F ZINC000881887397 733127686 /nfs/dbraw/zinc/12/76/86/733127686.db2.gz PNIDCPAFUIXYMA-UHFFFAOYSA-N 0 0 374.484 2.946 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)COCC1CC1 ZINC000882946152 733313481 /nfs/dbraw/zinc/31/34/81/733313481.db2.gz YCOUUZQEXMEKND-LBPRGKRZSA-N 0 0 364.667 2.685 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](CO)[C@@H]1CCOC1 ZINC000883109634 733335449 /nfs/dbraw/zinc/33/54/49/733335449.db2.gz YSBXUZZIESKXKK-KOLCDFICSA-N 0 0 364.667 2.543 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1COc2ccccc2[C@H]1O ZINC000883121945 733338613 /nfs/dbraw/zinc/33/86/13/733338613.db2.gz WEKRLMZGIHAYGB-CZUORRHYSA-N 0 0 368.202 2.878 20 10 FFCDRN C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Br)c(F)cc1[O-] ZINC000883375001 733376378 /nfs/dbraw/zinc/37/63/78/733376378.db2.gz ZDNOTPBWJOPJER-IWSPIJDZSA-N 0 0 366.252 2.520 20 10 FFCDRN Cc1cnc(Cl)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000884888182 733586935 /nfs/dbraw/zinc/58/69/35/733586935.db2.gz QOLZLGZOAAIBQI-UHFFFAOYSA-N 0 0 353.875 2.930 20 10 FFCDRN CN(C)S(=O)(=O)C1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000886321937 733773117 /nfs/dbraw/zinc/77/31/17/733773117.db2.gz CZTYSQNZQZOBKR-UHFFFAOYSA-N 0 0 360.479 2.573 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886511509 733799560 /nfs/dbraw/zinc/79/95/60/733799560.db2.gz VTHZTHATRCLBJT-NWDGAFQWSA-N 0 0 352.431 2.851 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1c([O-])cccc1F ZINC000886646625 733812427 /nfs/dbraw/zinc/81/24/27/733812427.db2.gz OACBQXNSKSGKDY-WHOFXGATSA-N 0 0 354.422 2.552 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@](CO)(C(F)(F)F)C2)c1O ZINC000886799936 733839274 /nfs/dbraw/zinc/83/92/74/733839274.db2.gz ZSOOYJNZGZLTTB-AWEZNQCLSA-N 0 0 351.752 2.995 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1ccccc1CN1CCOCC1 ZINC000890760802 734336956 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CC[S@@](=O)c1ccccc1C(=O)N1CC[S@](=O)C(CC)(CC)C1 ZINC000769459072 737531672 /nfs/dbraw/zinc/53/16/72/737531672.db2.gz OHLJVBKBHGAUCY-PKTZIBPZSA-N 0 0 355.525 2.577 20 10 FFCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769688172 737554055 /nfs/dbraw/zinc/55/40/55/737554055.db2.gz GAFKUWRHHKPZOR-INWMFGNUSA-N 0 0 368.499 2.954 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCSCC(F)(F)F)cc1F ZINC000769729943 737558822 /nfs/dbraw/zinc/55/88/22/737558822.db2.gz UMMRAOOMEBVJNM-UHFFFAOYSA-N 0 0 353.385 2.986 20 10 FFCDRN Cn1cc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)nc1Cl ZINC000769896088 737581087 /nfs/dbraw/zinc/58/10/87/737581087.db2.gz VQHJKDVKQDGEMG-UHFFFAOYSA-N 0 0 368.890 2.542 20 10 FFCDRN O=S(=O)(CCC1CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000770688762 737653186 /nfs/dbraw/zinc/65/31/86/737653186.db2.gz LUUJABPKRYERLW-AWEZNQCLSA-N 0 0 374.453 2.976 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCOC3(CCSCC3)C2)c1 ZINC000771552181 737734664 /nfs/dbraw/zinc/73/46/64/737734664.db2.gz 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737937458 /nfs/dbraw/zinc/93/74/58/737937458.db2.gz SJDUAVDOIPKNGX-KPKJPENVSA-N 0 0 351.859 2.844 20 10 FFCDRN CC[C@H](CNC=C1C(=O)NC(=S)N(CC(C)C)C1=O)c1ccccc1 ZINC000920979420 737937805 /nfs/dbraw/zinc/93/78/05/737937805.db2.gz LXGFRIHYLILWRQ-DSQDWWTGSA-N 0 0 359.495 2.553 20 10 FFCDRN CCc1ccc([C@H](C)NC=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1 ZINC000920980651 737937839 /nfs/dbraw/zinc/93/78/39/737937839.db2.gz UOSGNTOLZIEZEO-ZDUSSCGKSA-N 0 0 359.495 2.779 20 10 FFCDRN CCOc1ccc(CNc2nnc(CCCC(=O)OC)s2)c(O)c1 ZINC000774101599 737961467 /nfs/dbraw/zinc/96/14/67/737961467.db2.gz HEHMDLWUYLJLJH-UHFFFAOYSA-N 0 0 351.428 2.750 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@H]1c2ccccc2CC[C@H]1O ZINC000921447256 737985766 /nfs/dbraw/zinc/98/57/66/737985766.db2.gz CQPTVUJENBMKAS-CABCVRRESA-N 0 0 363.508 2.973 20 10 FFCDRN C[C@H]1c2sccc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000921514703 737995118 /nfs/dbraw/zinc/99/51/18/737995118.db2.gz WGJIQOQOUYGYSZ-JTQLQIEISA-N 0 0 366.464 2.585 20 10 FFCDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)[C@@H]1C ZINC000774762127 738023224 /nfs/dbraw/zinc/02/32/24/738023224.db2.gz YZHMXBSVWDIXAO-JHJVBQTASA-N 0 0 355.529 2.682 20 10 FFCDRN COc1c(O)c(CN2CCC[C@](OC)(C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000775098509 738061361 /nfs/dbraw/zinc/06/13/61/738061361.db2.gz WQVSLMSWBZFMOY-CQSZACIVSA-N 0 0 364.320 2.852 20 10 FFCDRN C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1F)c1ccc(N(C)C)cc1 ZINC000775407755 738090678 /nfs/dbraw/zinc/09/06/78/738090678.db2.gz VPEJRCSMEOQBRJ-LBPRGKRZSA-N 0 0 364.442 2.786 20 10 FFCDRN O=C(NCc1c(O)cccc1F)NCC1CCN(CC(F)(F)F)CC1 ZINC000922105579 738091467 /nfs/dbraw/zinc/09/14/67/738091467.db2.gz HOZWEAJDTWDKGU-UHFFFAOYSA-N 0 0 363.355 2.605 20 10 FFCDRN C[C@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000775726986 738117912 /nfs/dbraw/zinc/11/79/12/738117912.db2.gz DFKVEFRMZULGAO-GUYCJALGSA-N 0 0 355.885 2.643 20 10 FFCDRN C[C@@H](CCO)C1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CCC1 ZINC000776041250 738154870 /nfs/dbraw/zinc/15/48/70/738154870.db2.gz JLGDGTWRGPYFOZ-AWEZNQCLSA-N 0 0 351.466 2.880 20 10 FFCDRN O=C(NCCc1ccc(F)c(Br)c1)c1cccc(O)c1O ZINC000776340097 738184264 /nfs/dbraw/zinc/18/42/64/738184264.db2.gz FFLLBOWCIYXVBU-UHFFFAOYSA-N 0 0 354.175 2.972 20 10 FFCDRN COC(=O)c1cnc(CC[NH2+]Cc2cccc(Br)c2[O-])s1 ZINC000922834348 738207278 /nfs/dbraw/zinc/20/72/78/738207278.db2.gz LRRIUEQBWGDOMH-UHFFFAOYSA-N 0 0 371.256 2.730 20 10 FFCDRN Cc1cc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)ccc1O ZINC000776748212 738228887 /nfs/dbraw/zinc/22/88/87/738228887.db2.gz ZUKNKQOUIOWJEI-UHFFFAOYSA-N 0 0 355.799 2.926 20 10 FFCDRN Cc1cc(CCNS(=O)(=O)N2CC[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000777955744 738335366 /nfs/dbraw/zinc/33/53/66/738335366.db2.gz RVQFVNBUGSKSDD-HNNXBMFYSA-N 0 0 361.511 2.813 20 10 FFCDRN C[C@@H](C(=O)NCc1c(O)cccc1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000928708223 738898150 /nfs/dbraw/zinc/89/81/50/738898150.db2.gz JDFYWBRYRGEERG-LLVKDONJSA-N 0 0 352.406 2.651 20 10 FFCDRN CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000928726063 738900717 /nfs/dbraw/zinc/90/07/17/738900717.db2.gz VCHOGZNHCUHYMI-LLVKDONJSA-N 0 0 362.451 2.832 20 10 FFCDRN CSc1ccccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000785296855 738952189 /nfs/dbraw/zinc/95/21/89/738952189.db2.gz JTVJHOOPAHANBS-NSHDSACASA-N 0 0 360.435 2.506 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc(F)c(Cl)c1 ZINC000929535917 738996621 /nfs/dbraw/zinc/99/66/21/738996621.db2.gz CQJOSFCCZZSJMU-UHFFFAOYSA-N 0 0 363.820 2.983 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C)CN(C)S(C)(=O)=O ZINC000786590022 739063693 /nfs/dbraw/zinc/06/36/93/739063693.db2.gz WIBIRXIVSCAINB-CYBMUJFWSA-N 0 0 370.496 2.592 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCCC(C)(C)OC)CC2)cc1 ZINC000786808546 739078483 /nfs/dbraw/zinc/07/84/83/739078483.db2.gz WWCIKYRZZSPYDU-UHFFFAOYSA-N 0 0 366.527 2.892 20 10 FFCDRN CC[S@@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000787945570 739190140 /nfs/dbraw/zinc/19/01/40/739190140.db2.gz 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/nfs/dbraw/zinc/39/86/37/739398637.db2.gz JBKKNQCWWCQYJX-UHFFFAOYSA-N 0 0 350.777 2.853 20 10 FFCDRN CCNC(=O)c1cc(NC(=O)NCc2c(O)cccc2F)c(C)s1 ZINC000932187812 739400354 /nfs/dbraw/zinc/40/03/54/739400354.db2.gz NLTCBVMFPDOVAA-UHFFFAOYSA-N 0 0 351.403 2.973 20 10 FFCDRN O=C1/C(=C/c2ccsc2Cl)SC(=S)N1CCN1CCOCC1 ZINC000790106469 739418844 /nfs/dbraw/zinc/41/88/44/739418844.db2.gz JZJFZQNJARXRBQ-LUAWRHEFSA-N 0 0 374.940 2.935 20 10 FFCDRN CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1cccc(O)c1O ZINC000790576076 739470934 /nfs/dbraw/zinc/47/09/34/739470934.db2.gz INABZNISWUXMLI-LBPRGKRZSA-N 0 0 350.415 2.617 20 10 FFCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000790704834 739486717 /nfs/dbraw/zinc/48/67/17/739486717.db2.gz KUCOQBSHJSXYLR-VXGBXAGGSA-N 0 0 350.415 2.568 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Cc2cc(F)c(Cl)cc2[N+](=O)[O-])c1 ZINC000790711653 739487214 /nfs/dbraw/zinc/48/72/14/739487214.db2.gz DMUYDTDTJNIVOT-UHFFFAOYSA-N 0 0 368.748 2.960 20 10 FFCDRN CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000790760142 739491728 /nfs/dbraw/zinc/49/17/28/739491728.db2.gz MHLAUALDXXJBSK-QWRGUYRKSA-N 0 0 352.258 2.764 20 10 FFCDRN O=C(NCCNc1cccc(Br)c1)c1cccc(O)c1O ZINC000790922489 739513428 /nfs/dbraw/zinc/51/34/28/739513428.db2.gz MONLNVXRYHBLFX-UHFFFAOYSA-N 0 0 351.200 2.702 20 10 FFCDRN C[C@H]1[C@@H](C(F)(F)F)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000791579516 739580749 /nfs/dbraw/zinc/58/07/49/739580749.db2.gz QVJRFOUYMXAXBH-BBRMVZONSA-N 0 0 357.420 2.984 20 10 FFCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000792703444 739695844 /nfs/dbraw/zinc/69/58/44/739695844.db2.gz WNFCZDXJFRKPCM-UHFFFAOYSA-N 0 0 362.432 2.756 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2C[C@H](C)O[C@]3(CCOC3)C2)c1 ZINC000793360830 739773319 /nfs/dbraw/zinc/77/33/19/739773319.db2.gz ACSHLLKKSITLTO-BLLLJJGKSA-N 0 0 356.260 2.843 20 10 FFCDRN COc1ccc(CNC(=O)c2cnnn2-c2ccccc2Cl)c(O)c1 ZINC000794370996 739884373 /nfs/dbraw/zinc/88/43/73/739884373.db2.gz UNQXPIMRKITSDG-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(C3N=NC(=S)O3)cc2)c(O)c1 ZINC000794376624 739884807 /nfs/dbraw/zinc/88/48/07/739884807.db2.gz AELSFFOVNHBNTE-UHFFFAOYSA-N 0 0 357.391 2.670 20 10 FFCDRN COc1ccc(CNC(=O)CCc2nc(-c3cccs3)no2)c(O)c1 ZINC000794382244 739885325 /nfs/dbraw/zinc/88/53/25/739885325.db2.gz SEVOBQSGBVYCTL-UHFFFAOYSA-N 0 0 359.407 2.761 20 10 FFCDRN COc1ccc(CNC(=O)c2cn(-c3ccccc3Cl)nn2)c(O)c1 ZINC000794391352 739886184 /nfs/dbraw/zinc/88/61/84/739886184.db2.gz WLVXPEJABPEPIK-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnc1Br ZINC000935310417 739930059 /nfs/dbraw/zinc/93/00/59/739930059.db2.gz KWWPSPPNUDZWFD-JTQLQIEISA-N 0 0 365.227 2.925 20 10 FFCDRN Cc1n[nH]cc1CCCNC(=O)NCc1cc(Br)ccc1O ZINC000794803320 739932597 /nfs/dbraw/zinc/93/25/97/739932597.db2.gz GJBVKXZXCZBDQV-UHFFFAOYSA-N 0 0 367.247 2.618 20 10 FFCDRN Cc1nn(CC(F)F)cc1C(=O)NCc1cc(Br)ccc1O ZINC000935959993 740038256 /nfs/dbraw/zinc/03/82/56/740038256.db2.gz UPUTXMBQBRJQMN-UHFFFAOYSA-N 0 0 374.185 2.855 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)c3ccsc3)CC2)cc1 ZINC000795816018 740067110 /nfs/dbraw/zinc/06/71/10/740067110.db2.gz ROOWERFEFVNOEH-UHFFFAOYSA-N 0 0 352.481 2.704 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2cc(Br)ccc2O)c(C)o1 ZINC000796191686 740114406 /nfs/dbraw/zinc/11/44/06/740114406.db2.gz ZVURENBBYQYSMU-UHFFFAOYSA-N 0 0 360.229 2.843 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000797647105 740261452 /nfs/dbraw/zinc/26/14/52/740261452.db2.gz XLPCWCHYWCFZOU-QMMMGPOBSA-N 0 0 356.304 2.659 20 10 FFCDRN C[C@@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)cc(F)c1[O-] ZINC000799727265 740445585 /nfs/dbraw/zinc/44/55/85/740445585.db2.gz BKKBAZLQMZDRGI-YLVJLNSGSA-N 0 0 350.253 2.856 20 10 FFCDRN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)cc(F)c1[O-] ZINC000799727264 740445666 /nfs/dbraw/zinc/44/56/66/740445666.db2.gz BKKBAZLQMZDRGI-WPCRTTGESA-N 0 0 350.253 2.856 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NCC[S@@](C)=O)cc2Cl)C1 ZINC000799929703 740465060 /nfs/dbraw/zinc/46/50/60/740465060.db2.gz AVRXTSPBJASPQY-YEBMWUKDSA-N 0 0 371.934 2.754 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)[C@H]3CCOC3)cc2Cl)C1 ZINC000800149022 740492070 /nfs/dbraw/zinc/49/20/70/740492070.db2.gz VCWVBNJUURZAFK-ZFWWWQNUSA-N 0 0 372.918 2.785 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNS(=O)(=O)NC3CC3)cc2Cl)C1 ZINC000800149203 740492475 /nfs/dbraw/zinc/49/24/75/740492475.db2.gz WPFCOVXDQGXXBI-LBPRGKRZSA-N 0 0 357.907 2.663 20 10 FFCDRN O=S(=O)(Nc1ccc(OC(F)F)cc1F)c1cccc2nonc21 ZINC000800844900 740555229 /nfs/dbraw/zinc/55/52/29/740555229.db2.gz QAANMPJTATUXAM-UHFFFAOYSA-N 0 0 359.285 2.764 20 10 FFCDRN Cn1nccc1[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000802244994 740689724 /nfs/dbraw/zinc/68/97/24/740689724.db2.gz YELJQZPMLMCLCX-CYBMUJFWSA-N 0 0 365.528 2.948 20 10 FFCDRN CCC(CC)CN(CC)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000803663237 740817296 /nfs/dbraw/zinc/81/72/96/740817296.db2.gz 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FFCDRN CC1(NC(=S)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC000840718562 747165439 /nfs/dbraw/zinc/16/54/39/747165439.db2.gz ZFKRHWQABKHESY-UHFFFAOYSA-N 0 0 351.491 2.694 20 10 FFCDRN Cc1cc(O)c(CN(C)Cc2ccccc2S(N)(=O)=O)c(Cl)c1 ZINC000840950586 747239861 /nfs/dbraw/zinc/23/98/61/747239861.db2.gz OQSPVWYCJYSFKQ-UHFFFAOYSA-N 0 0 354.859 2.633 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C(C)(C)CN2CCOCC2)c1 ZINC000840962136 747243904 /nfs/dbraw/zinc/24/39/04/747243904.db2.gz FVRGDOCSIQZTAV-UHFFFAOYSA-N 0 0 357.292 2.664 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000841568876 747405825 /nfs/dbraw/zinc/40/58/25/747405825.db2.gz HSQGFFHBIZWMRX-HNNXBMFYSA-N 0 0 364.515 2.748 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)CCC(F)(F)F ZINC000841569222 747406015 /nfs/dbraw/zinc/40/60/15/747406015.db2.gz JTDJHYFAKNVEHV-GFCCVEGCSA-N 0 0 352.422 2.864 20 10 FFCDRN CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841744479 747446792 /nfs/dbraw/zinc/44/67/92/747446792.db2.gz HVOCOFISWQHNKF-CYBMUJFWSA-N 0 0 353.894 2.687 20 10 FFCDRN CC[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1ccc(Cl)s1 ZINC000842056912 747511440 /nfs/dbraw/zinc/51/14/40/747511440.db2.gz DGEXKVLFTRQERQ-ZDUSSCGKSA-N 0 0 365.886 2.910 20 10 FFCDRN CSc1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000843531621 747849334 /nfs/dbraw/zinc/84/93/34/747849334.db2.gz ABCGYQMJVQVMOT-UHFFFAOYSA-N 0 0 361.442 2.709 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(S(=O)(=O)N3CCCC3)o2)cc1 ZINC000844353507 748010246 /nfs/dbraw/zinc/01/02/46/748010246.db2.gz QJLFNLZENWDATD-UHFFFAOYSA-N 0 0 350.440 2.709 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@@H](OC)C(F)(F)F)C2)cc1 ZINC000844603146 748058776 /nfs/dbraw/zinc/05/87/76/748058776.db2.gz TUHVTJRELMTQGV-SWLSCSKDSA-N 0 0 360.376 2.605 20 10 FFCDRN COCc1nc(C)c(C(=O)N(C)CCN(C)c2ccc(OC)cc2)s1 ZINC000844854863 748117840 /nfs/dbraw/zinc/11/78/40/748117840.db2.gz PHSZFWCYRRCLAU-UHFFFAOYSA-N 0 0 363.483 2.815 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000845063872 748172344 /nfs/dbraw/zinc/17/23/44/748172344.db2.gz ATBYXMKQDRHEJN-AWEZNQCLSA-N 0 0 354.834 2.573 20 10 FFCDRN CC(C)(C)OC(=O)C1(C(=O)NCc2cccc(Br)c2O)CC1 ZINC000846013828 748382732 /nfs/dbraw/zinc/38/27/32/748382732.db2.gz FBOXIWAKDLYSKX-UHFFFAOYSA-N 0 0 370.243 2.893 20 10 FFCDRN Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000846108742 748409168 /nfs/dbraw/zinc/40/91/68/748409168.db2.gz QWBMIIRTHLCAFY-CYBMUJFWSA-N 0 0 363.801 2.820 20 10 FFCDRN COC(=O)[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@H]1C1CC1 ZINC000846122932 748411887 /nfs/dbraw/zinc/41/18/87/748411887.db2.gz MAQYKFSOBKZGTG-QWHCGFSZSA-N 0 0 354.244 2.786 20 10 FFCDRN COc1ccc(NS(C)(=O)=O)cc1N[C@@H](C)c1cccc(OC)c1O ZINC000846167683 748419205 /nfs/dbraw/zinc/41/92/05/748419205.db2.gz AVOZGISTNXAXPG-NSHDSACASA-N 0 0 366.439 2.954 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc(OC)c2F)c1 ZINC000848436758 748925625 /nfs/dbraw/zinc/92/56/25/748925625.db2.gz CHCLWUFMMNJPRV-SNVBAGLBSA-N 0 0 355.387 2.588 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000848930233 749037608 /nfs/dbraw/zinc/03/76/08/749037608.db2.gz OYQBCPWXUBODNO-HNNXBMFYSA-N 0 0 369.303 2.841 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1[O-] ZINC000848930686 749037640 /nfs/dbraw/zinc/03/76/40/749037640.db2.gz VJEBGDKHBVVDHJ-HNNXBMFYSA-N 0 0 369.849 2.641 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)Cc3cccc(C)c3)C2)cc1 ZINC000849415579 749141935 /nfs/dbraw/zinc/14/19/35/749141935.db2.gz CDSIEYYDRYKMGW-QGZVFWFLSA-N 0 0 360.479 2.702 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(Cl)s3)C2)cc1 ZINC000849415499 749142190 /nfs/dbraw/zinc/14/21/90/749142190.db2.gz ASVPFBHDEBFFGD-NSHDSACASA-N 0 0 372.899 2.967 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)Cc3ccc(C)cc3)C2)cc1 ZINC000849416652 749143355 /nfs/dbraw/zinc/14/33/55/749143355.db2.gz CCMIGFFDOGXDNL-KRWDZBQOSA-N 0 0 360.479 2.702 20 10 FFCDRN CCc1nc(SCC(=O)NCc2ccc(N(C)C)cc2)[nH]c(=O)c1C ZINC000849921808 749259063 /nfs/dbraw/zinc/25/90/63/749259063.db2.gz VXHFOOWKBSGROJ-UHFFFAOYSA-N 0 0 360.483 2.528 20 10 FFCDRN CC(C)(C)OC(=O)CS(=O)(=O)CCSc1ncc(Cl)s1 ZINC000850000028 749280886 /nfs/dbraw/zinc/28/08/86/749280886.db2.gz HBRNOYOUTCSIEX-UHFFFAOYSA-N 0 0 357.906 2.645 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC[C@@H](C)S(=O)(=O)C2)c1 ZINC000850369359 749354319 /nfs/dbraw/zinc/35/43/19/749354319.db2.gz IWFLLWRWBGGIDN-ZYHUDNBSSA-N 0 0 362.289 2.518 20 10 FFCDRN CNC(=O)[C@H]1Cc2ccccc2N1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000852073236 749767658 /nfs/dbraw/zinc/76/76/58/749767658.db2.gz COYFIONMVLUURZ-QGZVFWFLSA-N 0 0 358.825 2.926 20 10 FFCDRN C[C@H]1CCC[C@@H](CNC(=O)NCc2cc(Br)ccc2O)O1 ZINC000852579617 749896003 /nfs/dbraw/zinc/89/60/03/749896003.db2.gz BHDQAJFIDGRUCB-GWCFXTLKSA-N 0 0 357.248 2.912 20 10 FFCDRN COC(=O)Cc1ccnc(NCc2ccc(N3CCSCC3)cc2)c1 ZINC000853188827 750024788 /nfs/dbraw/zinc/02/47/88/750024788.db2.gz FLEGYUPECWKLLS-UHFFFAOYSA-N 0 0 357.479 2.962 20 10 FFCDRN CCOC(=O)c1csc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000853957140 750209907 /nfs/dbraw/zinc/20/99/07/750209907.db2.gz JIXHRYBQPVUHCY-UHFFFAOYSA-N 0 0 361.467 2.893 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)[C@@H]1CCOC1 ZINC000854276226 750274354 /nfs/dbraw/zinc/27/43/54/750274354.db2.gz VUFMZQKOAZPXSK-SJLPKXTDSA-N 0 0 350.459 2.755 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C[C@H]3CCC(=O)N3)cc2Cl)C1 ZINC000854344876 750288709 /nfs/dbraw/zinc/28/87/09/750288709.db2.gz RPPYYKRSMHHELX-DZGCQCFKSA-N 0 0 363.889 2.861 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1onc2c1CCCC2 ZINC000854442778 750309143 /nfs/dbraw/zinc/30/91/43/750309143.db2.gz XEXBZQHKPVCDNP-UHFFFAOYSA-N 0 0 351.200 2.952 20 10 FFCDRN CC(=O)N1CCC(N(Cc2cncs2)C(=O)C2=CC(=O)CS2)CC1 ZINC000854607736 750339396 /nfs/dbraw/zinc/33/93/96/750339396.db2.gz QHDYOHGJZUCBNW-UHFFFAOYSA-N 0 0 365.480 2.564 20 10 FFCDRN Cc1cc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)ccc2[nH]1 ZINC000055223591 845325772 /nfs/dbraw/zinc/32/57/72/845325772.db2.gz FTJBVIXQBWTGCD-UHFFFAOYSA-N 0 0 359.407 2.806 20 10 FFCDRN C[C@]1(CO)CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000122416949 845640953 /nfs/dbraw/zinc/64/09/53/845640953.db2.gz UQCUEMDXFUPDJV-IBGZPJMESA-N 0 0 363.527 2.544 20 10 FFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CC[C@@](O)(C(F)F)C1 ZINC000888586116 1013049685 /nfs/dbraw/zinc/04/96/85/1013049685.db2.gz WAOHAIIBUXBCPS-SFHVURJKSA-N 0 0 373.363 2.630 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N(C[C@H]2CCC(=O)N2)C(C)C)cc1 ZINC000840263309 970872345 /nfs/dbraw/zinc/87/23/45/970872345.db2.gz OQRMOVJLIWDOCD-QGZVFWFLSA-N 0 0 360.502 2.731 20 10 FFCDRN CC[C@](NCc1ccc(OC)c(OC)c1O)(C(=O)OC)c1ccccc1 ZINC000895708372 970887453 /nfs/dbraw/zinc/88/74/53/970887453.db2.gz IVCRMJDFJQADCK-HXUWFJFHSA-N 0 0 359.422 2.978 20 10 FFCDRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)NCCc3ccc(O)c(O)c3)c2c1 ZINC000182502710 971034683 /nfs/dbraw/zinc/03/46/83/971034683.db2.gz BUKYPKRQRVDTBD-UHFFFAOYSA-N 0 0 356.353 2.772 20 10 FFCDRN CCOC(=O)[C@](C)(NCc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000895893217 971049036 /nfs/dbraw/zinc/04/90/36/971049036.db2.gz CRPOGKWIPZOJTI-HXUWFJFHSA-N 0 0 359.422 2.978 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000840325578 971078039 /nfs/dbraw/zinc/07/80/39/971078039.db2.gz YRNMIQZHRBQVPK-PBHICJAKSA-N 0 0 355.486 2.572 20 10 FFCDRN Cc1cnn(CCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC000085709652 971150325 /nfs/dbraw/zinc/15/03/25/971150325.db2.gz DTZBUCPKBGSZMX-UHFFFAOYSA-N 0 0 359.385 2.996 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@H]1CC[C@H](C2OCCO2)O1 ZINC000896058180 971195137 /nfs/dbraw/zinc/19/51/37/971195137.db2.gz PSYXWRQXVFZOTQ-SJLPKXTDSA-N 0 0 363.454 2.832 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCC3(CO)CCCC3)CC2)cc1 ZINC000185323595 971273646 /nfs/dbraw/zinc/27/36/46/971273646.db2.gz BHNCQTBZPYXDSO-UHFFFAOYSA-N 0 0 361.486 2.516 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2nccc(C(F)(F)F)n2)c1 ZINC000840422424 971277069 /nfs/dbraw/zinc/27/70/69/971277069.db2.gz LRXLPBUXDIHFHZ-SECBINFHSA-N 0 0 370.331 2.770 20 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20 10 FFCDRN O=C(NCC[C@H]1CCC2(CCOCC2)CO1)N1Cc2cccc(O)c2C1 ZINC000890897514 960887812 /nfs/dbraw/zinc/88/78/12/960887812.db2.gz CGFAAKMDDBVEIU-MRXNPFEDSA-N 0 0 360.454 2.783 20 10 FFCDRN COCCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275956708 1013227926 /nfs/dbraw/zinc/22/79/26/1013227926.db2.gz LAXWILZEHWFVKQ-LJQANCHMSA-N 0 0 368.424 2.664 20 10 FFCDRN CCOC1CC2(C[C@@H]2NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000872852151 1013278773 /nfs/dbraw/zinc/27/87/73/1013278773.db2.gz KOEIHKVBFWCPFS-PJABQADQSA-N 0 0 373.497 2.841 20 10 FFCDRN Cc1ccc(CNC(=O)NCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000010432945 1013323473 /nfs/dbraw/zinc/32/34/73/1013323473.db2.gz XOPYIQFZZXWHOG-UHFFFAOYSA-N 0 0 368.481 2.519 20 10 FFCDRN CC(=O)c1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000045600798 962291330 /nfs/dbraw/zinc/29/13/30/962291330.db2.gz WAZQKEZFKCNKBU-UHFFFAOYSA-N 0 0 374.462 2.832 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCOc2cccc(C(N)=O)c2)cc1 ZINC000175804323 962729302 /nfs/dbraw/zinc/72/93/02/962729302.db2.gz JEQDWGKQQXGAML-UHFFFAOYSA-N 0 0 369.465 2.717 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCOC(=O)C3CC3)ccc21 ZINC000773447849 1013377000 /nfs/dbraw/zinc/37/70/00/1013377000.db2.gz ARWIWDCWNAKJKC-UHFFFAOYSA-N 0 0 358.438 2.588 20 10 FFCDRN CC(C)NC(=O)N1CC2(C1)CC[NH+](Cc1cc(F)c(F)cc1[O-])CC2 ZINC001279107752 962925700 /nfs/dbraw/zinc/92/57/00/962925700.db2.gz PBPWCXWNYHBUJQ-UHFFFAOYSA-N 0 0 353.413 2.686 20 10 FFCDRN CCC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000160589910 963054867 /nfs/dbraw/zinc/05/48/67/963054867.db2.gz ZLVQEKPNSHABJP-VQIMIIECSA-N 0 0 361.486 2.795 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccccc1C ZINC000175968271 963284662 /nfs/dbraw/zinc/28/46/62/963284662.db2.gz RZCICPNNLCQQEF-UHFFFAOYSA-N 0 0 353.466 2.840 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc3oc(=O)[nH]c3c2)cc1 ZINC000873198850 1013421741 /nfs/dbraw/zinc/42/17/41/1013421741.db2.gz CYIQYDKHWVMFAV-UHFFFAOYSA-N 0 0 354.410 2.941 20 10 FFCDRN 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FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCc2nc(-c3ccncc3)no2)c1 ZINC000728979622 978138114 /nfs/dbraw/zinc/13/81/14/978138114.db2.gz JNPUDGCPRCNOGG-GFCCVEGCSA-N 0 0 368.393 2.656 20 10 FFCDRN Cc1ccc(C(=O)N[C@@](C)(CNC(=O)OC(C)(C)C)C2CC2)c(O)c1O ZINC000780933704 978188225 /nfs/dbraw/zinc/18/82/25/978188225.db2.gz AACBWKOLLCURJP-IBGZPJMESA-N 0 0 364.442 2.829 20 10 FFCDRN CC(C)[C@@H](NC(=O)NCc1ccc(F)cc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877081089 1014470456 /nfs/dbraw/zinc/47/04/56/1014470456.db2.gz UGEHTRYNOQMIQE-GOSISDBHSA-N 0 0 372.444 2.895 20 10 FFCDRN CN(C(=O)[C@H]1CCCN(C(=O)Cc2ccccc2)C1)c1ccc(N)cc1 ZINC000877081057 1014470468 /nfs/dbraw/zinc/47/04/68/1014470468.db2.gz TUYHBYOLVVFWCK-KRWDZBQOSA-N 0 0 351.450 2.713 20 10 FFCDRN COc1ccc(C)cc1N1C[C@H](C(=O)N(C)c2ccc(N)cc2)CC1=O ZINC000877080921 1014470971 /nfs/dbraw/zinc/47/09/71/1014470971.db2.gz RHYURTUMWDLUEW-CQSZACIVSA-N 0 0 353.422 2.602 20 10 FFCDRN Cn1ncc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1C(F)F ZINC000760015260 978344321 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C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(-c2cccc(F)c2)no1 ZINC001294220479 1049712199 /nfs/dbraw/zinc/71/21/99/1049712199.db2.gz SSBITJITXJEPQX-JTQLQIEISA-N 0 0 357.341 2.707 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(F)(C(=O)NCc2ccccc2O)CC1 ZINC001294924961 1049840177 /nfs/dbraw/zinc/84/01/77/1049840177.db2.gz JKMRBJHATARCCR-UHFFFAOYSA-N 0 0 352.406 2.748 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-n3ccnn3)ccc2F)c1 ZINC001294937819 1049844957 /nfs/dbraw/zinc/84/49/57/1049844957.db2.gz UMQDUKVXTHUWBY-LLVKDONJSA-N 0 0 356.357 2.612 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC001295201699 1049899783 /nfs/dbraw/zinc/89/97/83/1049899783.db2.gz ONMUCXJDUVOQSY-HNNXBMFYSA-N 0 0 365.393 2.664 20 10 FFCDRN CNC(=O)N[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC001296167792 1050033521 /nfs/dbraw/zinc/03/35/21/1050033521.db2.gz NTVPPCHUFWNSAC-INIZCTEOSA-N 0 0 354.454 2.546 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)/C=C/C(=O)N(C)C)cc2Cl)C1 ZINC001297009926 1050112286 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Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)[C@H](C)N2CCOCC2)c1 ZINC001308256973 1052437791 /nfs/dbraw/zinc/43/77/91/1052437791.db2.gz OAKANXDZRZQUEC-STQMWFEESA-N 0 0 357.292 2.662 20 10 FFCDRN COc1cc(C)c(CNc2ccc(OCCS(C)(=O)=O)cc2)c(O)c1 ZINC001308857926 1052509357 /nfs/dbraw/zinc/50/93/57/1052509357.db2.gz BKIREMSQXWICGN-UHFFFAOYSA-N 0 0 365.451 2.745 20 10 FFCDRN COCCn1c([C@@H]2C[C@H]2OC(C)(C)C)nnc1N(C)Cc1ccccc1O ZINC001345602932 1052532613 /nfs/dbraw/zinc/53/26/13/1052532613.db2.gz NCXACVAMQMNQFX-NVXWUHKLSA-N 0 0 374.485 2.938 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2n[nH]c(C3CC3)n2)n1CC1CC1 ZINC001345868183 1052649920 /nfs/dbraw/zinc/64/99/20/1052649920.db2.gz UKWWTBUQCBTGSJ-UHFFFAOYSA-N 0 0 365.441 2.693 20 10 FFCDRN COC1(C)CN(c2nnc(C3Sc4ncccc4C3=O)n2CC2CC2)C1 ZINC001345903882 1052664159 /nfs/dbraw/zinc/66/41/59/1052664159.db2.gz JHNQWBBHGQAOPV-UHFFFAOYSA-N 0 0 371.466 2.896 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)Cc3cnn4ccccc34)CC2)cc1 ZINC001346080716 1052738040 /nfs/dbraw/zinc/73/80/40/1052738040.db2.gz LGUBWZSTVPRHPN-UHFFFAOYSA-N 0 0 364.449 2.624 20 10 FFCDRN Cn1nc2ccccc2c1C(=O)NCc1cc(Br)ccc1O ZINC001346117187 1052756098 /nfs/dbraw/zinc/75/60/98/1052756098.db2.gz FTVZGUZLNCJIGA-UHFFFAOYSA-N 0 0 360.211 2.971 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CC[C@@H](C3CC3)C2)n1C[C@@H]1CCOC1 ZINC001344468622 1052786599 /nfs/dbraw/zinc/78/65/99/1052786599.db2.gz IDVLRBZBNWJLMW-GXTWGEPZSA-N 0 0 360.483 2.985 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)S2 ZINC001335197191 1053254334 /nfs/dbraw/zinc/25/43/34/1053254334.db2.gz BRGLGASVYSPSRL-MQVJKMGUSA-N 0 0 362.495 2.674 20 10 FFCDRN C[C@H]1COCC[C@H]1NC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001346784427 1053309480 /nfs/dbraw/zinc/30/94/80/1053309480.db2.gz BMQKPKZOUBNEPI-MAUKXSAKSA-N 0 0 374.481 2.595 20 10 FFCDRN CNc1nc(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)co1 ZINC001346898918 1053422839 /nfs/dbraw/zinc/42/28/39/1053422839.db2.gz CNGZGSWBUYBESO-UHFFFAOYSA-N 0 0 354.414 2.727 20 10 FFCDRN Cc1nc(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)cc(=O)[nH]1 ZINC001346974127 1053496566 /nfs/dbraw/zinc/49/65/66/1053496566.db2.gz FQWMWENYQCIWPL-UHFFFAOYSA-N 0 0 366.425 2.501 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cnn(C2CCCC2)c1 ZINC001335761464 1053548485 /nfs/dbraw/zinc/54/84/85/1053548485.db2.gz XULSAZYHLSCULN-UHFFFAOYSA-N 0 0 369.469 2.628 20 10 FFCDRN CCC/C=C/[C@H](O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001543233522 1071422501 /nfs/dbraw/zinc/42/25/01/1071422501.db2.gz NVJCHTHKXMLDFN-ONSTYPRESA-N 0 0 364.461 2.773 20 10 FFCDRN Cc1cc(CC(=O)N2CCC3(CC(=O)N3)CC2)c(C)n1-c1ccccc1 ZINC001347382399 1053915330 /nfs/dbraw/zinc/91/53/30/1053915330.db2.gz ZULPJWWMYYXSNX-UHFFFAOYSA-N 0 0 351.450 2.518 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(Cl)n1 ZINC001347746649 1054278916 /nfs/dbraw/zinc/27/89/16/1054278916.db2.gz QWXKGXRPQKOCMV-UHFFFAOYSA-N 0 0 372.856 2.899 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)[C@H]1Oc1ccccc1 ZINC001336878685 1054311886 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Cn1c(CO)nc2cc(C(=O)NCc3ccc(N4CCCC4)cc3)ccc21 ZINC001338766383 1055794903 /nfs/dbraw/zinc/79/49/03/1055794903.db2.gz NHNNCTCQYQBOOA-UHFFFAOYSA-N 0 0 364.449 2.596 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cn3ccccc3=O)o2)cc1F ZINC001357193272 1055816664 /nfs/dbraw/zinc/81/66/64/1055816664.db2.gz UFVDYOQJLHLMTP-UHFFFAOYSA-N 0 0 369.396 2.625 20 10 FFCDRN CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2cccc(Cl)c2O)cc1C ZINC001338814049 1055840894 /nfs/dbraw/zinc/84/08/94/1055840894.db2.gz NJNMUDSEKZOMMY-SNVBAGLBSA-N 0 0 364.833 2.776 20 10 FFCDRN CC(C)(C)n1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000847506730 1055951445 /nfs/dbraw/zinc/95/14/45/1055951445.db2.gz FFDHJLNYAREWGV-UHFFFAOYSA-N 0 0 370.497 2.777 20 10 FFCDRN CCCn1ncc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)c1C ZINC001339048661 1056044958 /nfs/dbraw/zinc/04/49/58/1056044958.db2.gz BJZNWFILRHPQEN-MRXNPFEDSA-N 0 0 356.470 2.866 20 10 FFCDRN C=CC(=O)N1CCC(C(=O)NCc2ccccc2O)(c2ccccc2)CC1 ZINC000847588960 1056110311 /nfs/dbraw/zinc/11/03/11/1056110311.db2.gz CGHIKRATSXDJFU-UHFFFAOYSA-N 0 0 364.445 2.755 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CC[C@]2(C1)OCc1ccccc12 ZINC001339572237 1056598382 /nfs/dbraw/zinc/59/83/82/1056598382.db2.gz HOAOIJNOAFXOCC-GOSISDBHSA-N 0 0 354.435 2.885 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H](O)C2(C)C)CCCC1 ZINC001544433524 1071643462 /nfs/dbraw/zinc/64/34/62/1071643462.db2.gz JGHDKYXQLWAKJC-IBGZPJMESA-N 0 0 356.466 2.901 20 10 FFCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N1CCC[C@H](OC)C1 ZINC001353726487 1056673938 /nfs/dbraw/zinc/67/39/38/1056673938.db2.gz BRILUDBPQAKFFU-NSHDSACASA-N 0 0 359.455 2.896 20 10 FFCDRN CN(C)[C@@]1(C(=O)NCc2cc(Cl)ccc2O)COc2ccccc2C1 ZINC001300396551 1058168899 /nfs/dbraw/zinc/16/88/99/1058168899.db2.gz YCUYTVKDMAYMIW-LJQANCHMSA-N 0 0 360.841 2.597 20 10 FFCDRN CCOc1cc(CCCNC(=O)Cc2ccc(O)c(O)c2)ccc1OC ZINC001444317612 1058294975 /nfs/dbraw/zinc/29/49/75/1058294975.db2.gz GJOGJWBBHPWDCB-UHFFFAOYSA-N 0 0 359.422 2.797 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)COCCNC(=O)OC(C)(C)C ZINC001445656404 1058429788 /nfs/dbraw/zinc/42/97/88/1058429788.db2.gz QLKNDGOZYXUBLB-UHFFFAOYSA-N 0 0 366.458 2.672 20 10 FFCDRN CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC001445936707 1058459669 /nfs/dbraw/zinc/45/96/69/1058459669.db2.gz FVCIZCTYFYCYGU-AWEZNQCLSA-N 0 0 366.458 2.840 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001447952849 1058721863 /nfs/dbraw/zinc/72/18/63/1058721863.db2.gz ANLBJTMKCHHQKH-ZIAGYGMSSA-N 0 0 364.442 2.592 20 10 FFCDRN COc1ccc(CNC(=O)c2ccccc2[S@](=O)C(F)(F)F)c(O)c1 ZINC001448386668 1058772071 /nfs/dbraw/zinc/77/20/71/1058772071.db2.gz WJMOPWULZBBCQC-VWLOTQADSA-N 0 0 373.352 2.958 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc([N+](=O)[O-])cc1OC ZINC001449119218 1058866473 /nfs/dbraw/zinc/86/64/73/1058866473.db2.gz JATLKWFGYAGLNL-UHFFFAOYSA-N 0 0 351.355 2.725 20 10 FFCDRN Cc1cc(C(=O)N2CCN(C(C)C)C(=O)C2)c(C)n1-c1ccc(F)cc1 ZINC001450661387 1059040586 /nfs/dbraw/zinc/04/05/86/1059040586.db2.gz VESQAYXHYWCALQ-UHFFFAOYSA-N 0 0 357.429 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CC(C)(C)OC(=O)c1cc(C(=O)NCc2cc(Cl)ccc2O)[nH]n1 ZINC001583821085 1079269866 /nfs/dbraw/zinc/26/98/66/1079269866.db2.gz UGYOZUHSUDFTOS-UHFFFAOYSA-N 0 0 351.790 2.654 20 10 FFCDRN O=C(NCCc1cnccn1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562966275 1074801391 /nfs/dbraw/zinc/80/13/91/1074801391.db2.gz SDCJYVJGDPPZTL-UHFFFAOYSA-N 0 0 359.393 2.551 20 10 FFCDRN CCON(CC)C(=O)CNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001584675482 1079377362 /nfs/dbraw/zinc/37/73/62/1079377362.db2.gz FXSZFJQXDXXPHW-UHFFFAOYSA-N 0 0 357.454 2.553 20 10 FFCDRN Cc1cc(C(=O)NCCc2c(C)[nH][nH]c2=O)c(C)n1-c1ccc(Cl)cc1 ZINC001585158948 1079433283 /nfs/dbraw/zinc/43/32/83/1079433283.db2.gz YIKIMVVOKQGPAG-MRXNPFEDSA-N 0 0 372.856 2.989 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc2[nH]c(CC3CC3)nc21 ZINC001556157627 1075709966 /nfs/dbraw/zinc/70/99/66/1075709966.db2.gz GQJWBZLGJUUMFI-LLVKDONJSA-N 0 0 366.421 2.683 20 10 FFCDRN CCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@@H]1CC(=O)N(C)C1=O ZINC001556332715 1075730889 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FFCDRN Cc1ccncc1/C=C/C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000273134581 511517451 /nfs/dbraw/zinc/51/74/51/511517451.db2.gz ROWNXMMOCPJKGR-VMPITWQZSA-N 0 0 351.450 2.898 20 10 FFCDRN COc1ccc(OC)c([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273415769 511524469 /nfs/dbraw/zinc/52/44/69/511524469.db2.gz QVDFJDUISHPWDE-DIFFPNOSSA-N 0 0 362.382 2.702 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480398 511529064 /nfs/dbraw/zinc/52/90/64/511529064.db2.gz UGXFSUWUGHORAI-GUYCJALGSA-N 0 0 370.409 2.537 20 10 FFCDRN CNC(=O)[C@@]1(C)CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000280634075 511542126 /nfs/dbraw/zinc/54/21/26/511542126.db2.gz ANNUUXKDNLMIBY-NRFANRHFSA-N 0 0 369.465 2.701 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000273610863 511550689 /nfs/dbraw/zinc/55/06/89/511550689.db2.gz VTJZLKZODUXHLJ-KSSFIOAISA-N 0 0 370.449 2.529 20 10 FFCDRN C[C@H](NC(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000280663700 511554052 /nfs/dbraw/zinc/55/40/52/511554052.db2.gz OQVNLXIPEBXABL-LBPRGKRZSA-N 0 0 364.442 2.863 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@]12CCCO2 ZINC000273645734 511561100 /nfs/dbraw/zinc/56/11/00/511561100.db2.gz IBJCNCFIKYYDKG-QKNQBKEWSA-N 0 0 371.481 2.589 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCc2nc(-c3ccco3)no2)cc1F ZINC000299312118 511587713 /nfs/dbraw/zinc/58/77/13/511587713.db2.gz FOVNFPUFHLITSV-UHFFFAOYSA-N 0 0 358.373 2.784 20 10 FFCDRN CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000299316803 511590593 /nfs/dbraw/zinc/59/05/93/511590593.db2.gz HFHSEPKCZOIHSW-KRWDZBQOSA-N 0 0 361.417 2.556 20 10 FFCDRN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000299316814 511590643 /nfs/dbraw/zinc/59/06/43/511590643.db2.gz HFHSEPKCZOIHSW-QGZVFWFLSA-N 0 0 361.417 2.556 20 10 FFCDRN COC(=O)c1coc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000273753928 511597857 /nfs/dbraw/zinc/59/78/57/511597857.db2.gz UDWIISDHCCVMDP-HNNXBMFYSA-N 0 0 359.378 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CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000296483918 511762700 /nfs/dbraw/zinc/76/27/00/511762700.db2.gz OISNYXTUZDOKAO-ODCWNRFASA-N 0 0 367.511 2.846 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000281252278 511776045 /nfs/dbraw/zinc/77/60/45/511776045.db2.gz FCWZDWQURIAPRD-LBPRGKRZSA-N 0 0 357.410 2.679 20 10 FFCDRN CC(C)[C@@H](NC(=O)c1cccc(O)c1O)c1nc(-c2ccncc2)no1 ZINC000366073634 511823837 /nfs/dbraw/zinc/82/38/37/511823837.db2.gz PDPPKVQKAPCANF-CQSZACIVSA-N 0 0 354.366 2.670 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000366096688 511837174 /nfs/dbraw/zinc/83/71/74/511837174.db2.gz SICKVLJTMSMAAS-KRWDZBQOSA-N 0 0 352.390 2.686 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C(C)(C)C3CCOCC3)CC2)cc1F ZINC000281447863 511851919 /nfs/dbraw/zinc/85/19/19/511851919.db2.gz KQPGMMPQQFYJCE-UHFFFAOYSA-N 0 0 364.461 2.936 20 10 FFCDRN C[C@@H]1C[C@H](S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCO1 ZINC000296717316 511867846 /nfs/dbraw/zinc/86/78/46/511867846.db2.gz MREABYODMOTQOJ-RDTXWAMCSA-N 0 0 352.500 2.614 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3C3CC3)cc2F)C[C@@H](C)O1 ZINC000274561680 511874223 /nfs/dbraw/zinc/87/42/23/511874223.db2.gz ZJUOHMVHAKWPBI-CHWSQXEVSA-N 0 0 372.444 2.970 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ncn(C)n2)cc1 ZINC000296833158 511915428 /nfs/dbraw/zinc/91/54/28/511915428.db2.gz RHANAUORHUWLNX-UHFFFAOYSA-N 0 0 354.414 2.708 20 10 FFCDRN Cc1cc(NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c(C)c1O ZINC000274745787 511927497 /nfs/dbraw/zinc/92/74/97/511927497.db2.gz DIFFFEBRXZGFDD-UHFFFAOYSA-N 0 0 369.464 2.522 20 10 FFCDRN COC(=O)C12CCC(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)(CC1)CC2 ZINC000293487332 511982722 /nfs/dbraw/zinc/98/27/22/511982722.db2.gz NQPVTEQQCKOHFW-LJLKPOLSSA-N 0 0 361.438 2.659 20 10 FFCDRN CC[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C ZINC000297007100 511985167 /nfs/dbraw/zinc/98/51/67/511985167.db2.gz SUVFZYKRUCYDND-BUUCAEBMSA-N 0 0 350.415 2.531 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(NC(=O)C2CC2)c1 ZINC000285062573 511986954 /nfs/dbraw/zinc/98/69/54/511986954.db2.gz HDNDYKPMKLHJFY-UHFFFAOYSA-N 0 0 364.449 2.960 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C1(Cc2cccc(F)c2)CCOCC1 ZINC000293573331 512013222 /nfs/dbraw/zinc/01/32/22/512013222.db2.gz BTSMWFDGPQWGPY-UHFFFAOYSA-N 0 0 373.424 2.935 20 10 FFCDRN CCOc1ccc(O)c(CN[C@@H](C(=O)OC)c2ccc3c(c2)CCO3)c1 ZINC000275095852 512039060 /nfs/dbraw/zinc/03/90/60/512039060.db2.gz ARFKWMAKERBTHD-LJQANCHMSA-N 0 0 357.406 2.730 20 10 FFCDRN CCOc1cc2c(cc1NC(=O)NCc1cccc(OC)c1O)OCCO2 ZINC000275243087 512085870 /nfs/dbraw/zinc/08/58/70/512085870.db2.gz NSIRCVIKVZKDFM-UHFFFAOYSA-N 0 0 374.393 2.892 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000364410023 512107079 /nfs/dbraw/zinc/10/70/79/512107079.db2.gz AQJBYAIWPSEIFO-ZKKXHLJNSA-N 0 0 368.393 2.955 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000375815388 512522432 /nfs/dbraw/zinc/52/24/32/512522432.db2.gz 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ZINC000378561815 512825095 /nfs/dbraw/zinc/82/50/95/512825095.db2.gz PPDWQNIAXISZKP-UHFFFAOYSA-N 0 0 357.458 2.793 20 10 FFCDRN COc1ccc(CNC(=O)NCc2nc(-c3cccc(F)c3)no2)c(O)c1 ZINC000368442975 512951141 /nfs/dbraw/zinc/95/11/41/512951141.db2.gz RNRAGFKDJGBRDJ-UHFFFAOYSA-N 0 0 372.356 2.589 20 10 FFCDRN C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1cc(F)ccc1O ZINC000368627740 513033779 /nfs/dbraw/zinc/03/37/79/513033779.db2.gz XYTCAKIVCHDQQI-CYBMUJFWSA-N 0 0 363.433 2.827 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nnc2n1CCCCC2 ZINC000370769220 513091452 /nfs/dbraw/zinc/09/14/52/513091452.db2.gz ZTCORYYBZRXYPO-ZDUSSCGKSA-N 0 0 374.464 2.770 20 10 FFCDRN NC(=O)COc1cccc2c1CCCN2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449532731 514244674 /nfs/dbraw/zinc/24/46/74/514244674.db2.gz HIVYKNOPXLIQBW-QPJJXVBHSA-N 0 0 367.405 2.925 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N2CCN(CC)c3ccccc32)cn1 ZINC000488856075 514609841 /nfs/dbraw/zinc/60/98/41/514609841.db2.gz ASGNHZJDPHQVKL-UHFFFAOYSA-N 0 0 364.453 2.790 20 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O=C([O-])N[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000904209239 736233971 /nfs/dbraw/zinc/23/39/71/736233971.db2.gz GRKBNHPIRZGUBR-SJORKVTESA-N 0 0 361.511 2.908 20 10 FFCDRN O=C([O-])N[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C12CCC2 ZINC000904238821 736237309 /nfs/dbraw/zinc/23/73/09/736237309.db2.gz FPCSXZJCKREKKG-STQMWFEESA-N 0 0 355.232 2.823 20 10 FFCDRN C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000756535137 736339655 /nfs/dbraw/zinc/33/96/55/736339655.db2.gz OTEPFMNRANBRSA-QWRGUYRKSA-N 0 0 361.255 2.665 20 10 FFCDRN COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000756555150 736341987 /nfs/dbraw/zinc/34/19/87/736341987.db2.gz SFRPOGLNIFCTPO-CMPLNLGQSA-N 0 0 361.255 2.665 20 10 FFCDRN COCCN1CC[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000756554165 736342353 /nfs/dbraw/zinc/34/23/53/736342353.db2.gz OFAVXPZEDFTQOB-QWRGUYRKSA-N 0 0 361.255 2.665 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756733128 736356842 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C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)N1CCSc2ccccc21 ZINC000758556112 736501022 /nfs/dbraw/zinc/50/10/22/736501022.db2.gz DUVXLAAFIOWRCA-LLVKDONJSA-N 0 0 359.403 2.782 20 10 FFCDRN CN(CCCCC(=O)NCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC000907060045 736578020 /nfs/dbraw/zinc/57/80/20/736578020.db2.gz LZPVCHYBIRCFCD-UHFFFAOYSA-N 0 0 352.431 2.751 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCCCSc2nccs2)c1 ZINC000759578961 736578222 /nfs/dbraw/zinc/57/82/22/736578222.db2.gz HFXQPTJGASESJS-UHFFFAOYSA-N 0 0 353.469 2.839 20 10 FFCDRN CCN(C(C)=O)c1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)cs1 ZINC000759598672 736579758 /nfs/dbraw/zinc/57/97/58/736579758.db2.gz XDMDGQWQNASGTP-ALCCZGGFSA-N 0 0 362.407 2.684 20 10 FFCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000759719752 736588635 /nfs/dbraw/zinc/58/86/35/736588635.db2.gz MIXXVQMQYBCRQH-MNOVXSKESA-N 0 0 355.529 2.645 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000907795850 736668453 /nfs/dbraw/zinc/66/84/53/736668453.db2.gz 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365.543 2.667 20 10 FFCDRN CCOC(=O)c1cnn(C2CCN(C(=O)C3=CC(=O)CS3)CC2)c1C ZINC000807663724 741147495 /nfs/dbraw/zinc/14/74/95/741147495.db2.gz QLJHTCOKOOSFGL-UHFFFAOYSA-N 0 0 363.439 2.613 20 10 FFCDRN CC[C@H](CSC)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000807912581 741171157 /nfs/dbraw/zinc/17/11/57/741171157.db2.gz LGBTUPBMKGKANW-OAHLLOKOSA-N 0 0 363.527 2.501 20 10 FFCDRN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000808105278 741186876 /nfs/dbraw/zinc/18/68/76/741186876.db2.gz BCDCPFGYLPBYTC-UHFFFAOYSA-N 0 0 373.427 2.516 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C3CC3)C(F)(F)F)CC2)cc1 ZINC000808343553 741216633 /nfs/dbraw/zinc/21/66/33/741216633.db2.gz GIPLSDBUNWJVRU-HNNXBMFYSA-N 0 0 357.376 2.868 20 10 FFCDRN O=C1NCCN1CCN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000808736014 741256286 /nfs/dbraw/zinc/25/62/86/741256286.db2.gz FXVMQGLKOAISPX-UHFFFAOYSA-N 0 0 359.451 2.551 20 10 FFCDRN CC(=O)c1cc(F)cc(CN(C)CCn2cc(Br)cn2)c1O ZINC000808802822 741262233 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/nfs/dbraw/zinc/66/60/78/741666078.db2.gz UNNNBYMODHWDMA-UHFFFAOYSA-N 0 0 370.887 2.737 20 10 FFCDRN C[C@H]([NH2+]CC1CCS(=O)(=O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815599031 741947228 /nfs/dbraw/zinc/94/72/28/741947228.db2.gz JDIMSRLWSAVBBP-JTQLQIEISA-N 0 0 351.390 2.886 20 10 FFCDRN C[C@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000815640525 741949739 /nfs/dbraw/zinc/94/97/39/741949739.db2.gz ZVNRNAJCZGZRGO-VIFPVBQESA-N 0 0 357.227 2.706 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCC[C@@H](OC)C1 ZINC000815951401 741977105 /nfs/dbraw/zinc/97/71/05/741977105.db2.gz CUIWVLFDXXBTOL-SWLSCSKDSA-N 0 0 369.845 2.752 20 10 FFCDRN CS(=O)(=O)Nc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816535648 742039546 /nfs/dbraw/zinc/03/95/46/742039546.db2.gz VTYMBLSSXZKVBJ-UHFFFAOYSA-N 0 0 358.822 2.846 20 10 FFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000816553413 742041259 /nfs/dbraw/zinc/04/12/59/742041259.db2.gz UPKZKVJJGMGPMJ-IBGZPJMESA-N 0 0 364.848 2.911 20 10 FFCDRN CCN(CC)c1ccc(CN2CCC[C@H](CS(C)(=O)=O)C2)cc1F ZINC000816619546 742047869 /nfs/dbraw/zinc/04/78/69/742047869.db2.gz LOPLZUCJQMOUNM-INIZCTEOSA-N 0 0 356.507 2.929 20 10 FFCDRN Cc1c(Cl)c(CNCc2ccc(N3CCOCC3)c(F)c2)nn1C ZINC000817407471 742138894 /nfs/dbraw/zinc/13/88/94/742138894.db2.gz PQSSMOJBXUBXDP-UHFFFAOYSA-N 0 0 352.841 2.647 20 10 FFCDRN CCCN1C[C@H](C[NH2+]Cc2cc(C)cc(Br)c2[O-])CC1=O ZINC000817411808 742139472 /nfs/dbraw/zinc/13/94/72/742139472.db2.gz ZYYHLALZIINPBU-LBPRGKRZSA-N 0 0 355.276 2.811 20 10 FFCDRN CC(C)[C@@H](O)C1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000817998861 742227848 /nfs/dbraw/zinc/22/78/48/742227848.db2.gz KYQLFVNSZQQHOJ-QGZVFWFLSA-N 0 0 359.495 2.843 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CCC4(C3)CCOCC4)cs2)cc1 ZINC000818438246 742272155 /nfs/dbraw/zinc/27/21/55/742272155.db2.gz RAPQXSDDVQHRBL-UHFFFAOYSA-N 0 0 357.479 2.959 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCOCC(F)(F)F)C2)cc1 ZINC000819583987 742410999 /nfs/dbraw/zinc/41/09/99/742410999.db2.gz 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/nfs/dbraw/zinc/75/84/54/742758454.db2.gz KKDQVGGWCPPGJZ-UHFFFAOYSA-N 0 0 351.248 2.948 20 10 FFCDRN Cn1nc(C(F)(F)F)cc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000822867657 742794882 /nfs/dbraw/zinc/79/48/82/742794882.db2.gz GKCRYDDGEYYABX-UHFFFAOYSA-N 0 0 352.360 2.751 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)CCSC)C2)cc1 ZINC000823088255 742830003 /nfs/dbraw/zinc/83/00/03/742830003.db2.gz JJOCIIWVBGHJAH-GJZGRUSLSA-N 0 0 351.516 2.962 20 10 FFCDRN CC[C@@H](CSC)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823543305 742933763 /nfs/dbraw/zinc/93/37/63/742933763.db2.gz SFFOLSZEVHBXGB-INIZCTEOSA-N 0 0 365.543 2.931 20 10 FFCDRN Cc1cc(O)c(CN2CCc3cc(S(N)(=O)=O)ccc32)cc1Cl ZINC000824474790 743087167 /nfs/dbraw/zinc/08/71/67/743087167.db2.gz SMDKNVGCOTYKBH-UHFFFAOYSA-N 0 0 352.843 2.564 20 10 FFCDRN CCOC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC12COC2 ZINC000824490145 743090960 /nfs/dbraw/zinc/09/09/60/743090960.db2.gz XPTLGRZNBRXVMG-LBPRGKRZSA-N 0 0 360.237 2.711 20 10 FFCDRN CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000824616496 743117434 /nfs/dbraw/zinc/11/74/34/743117434.db2.gz WQSCHQYNBUWQFW-GFCCVEGCSA-N 0 0 357.248 2.817 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N(C)C(=O)OC(C)(C)C ZINC000824669049 743126537 /nfs/dbraw/zinc/12/65/37/743126537.db2.gz CMLFBMCHLGRGBQ-LBPRGKRZSA-N 0 0 353.438 2.763 20 10 FFCDRN O=C1CN(Cc2cc(Br)ccc2O)CN1CCC(F)(F)F ZINC000824710080 743133274 /nfs/dbraw/zinc/13/32/74/743133274.db2.gz VVWJXTHNPUWOBF-UHFFFAOYSA-N 0 0 367.165 2.709 20 10 FFCDRN C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000825104121 743210150 /nfs/dbraw/zinc/21/01/50/743210150.db2.gz OCWMHMIODOIRNY-RDDDGLTNSA-N 0 0 365.065 2.872 20 10 FFCDRN CCS(=O)(=O)Cc1ccc(NCc2cc(OC)c(OC)cc2O)cc1 ZINC000825316239 743247596 /nfs/dbraw/zinc/24/75/96/743247596.db2.gz MMAGNYIIIRZSIY-UHFFFAOYSA-N 0 0 365.451 2.956 20 10 FFCDRN CS(=O)(=O)[C@H]1CCCCN(Cc2ccc(Br)cc2O)C1 ZINC000825715793 743316721 /nfs/dbraw/zinc/31/67/21/743316721.db2.gz GSJUNIFVPBWFGI-ZDUSSCGKSA-N 0 0 362.289 2.554 20 10 FFCDRN CCS(=O)(=O)C1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000825716600 743316972 /nfs/dbraw/zinc/31/69/72/743316972.db2.gz VYWYXRWUJWZRCC-UHFFFAOYSA-N 0 0 362.289 2.554 20 10 FFCDRN CN(C)C(=O)O[C@H]1CCCN(Cc2ccc(Br)cc2O)C1 ZINC000826036288 743359134 /nfs/dbraw/zinc/35/91/34/743359134.db2.gz DTVJXRPIXLJBAK-ZDUSSCGKSA-N 0 0 357.248 2.817 20 10 FFCDRN CN(C)C(=O)O[C@@H]1CCCN(Cc2ccc(Br)cc2O)C1 ZINC000826036287 743359696 /nfs/dbraw/zinc/35/96/96/743359696.db2.gz DTVJXRPIXLJBAK-CYBMUJFWSA-N 0 0 357.248 2.817 20 10 FFCDRN Fc1ccccc1NC(=S)NNc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826378558 743382955 /nfs/dbraw/zinc/38/29/55/743382955.db2.gz PTXAIMSCVDNWDZ-UHFFFAOYSA-N 0 0 363.809 2.973 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)C[C@@H](OC)C2CC2)cc1 ZINC000826951180 743477163 /nfs/dbraw/zinc/47/71/63/743477163.db2.gz HYJAFUOIDNEMMQ-GOSISDBHSA-N 0 0 354.516 2.719 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1ccc(N2CCCCC2)cc1)C(C)C ZINC000827047704 743495052 /nfs/dbraw/zinc/49/50/52/743495052.db2.gz JUALPISSRAPSGK-GOSISDBHSA-N 0 0 354.516 2.767 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)c1 ZINC000827166198 743523965 /nfs/dbraw/zinc/52/39/65/743523965.db2.gz GSDDBVGNISPPIT-LBPRGKRZSA-N 0 0 358.385 2.865 20 10 FFCDRN CCC(CC)(CNC(=O)C1=CC(=O)CS1)NC(=O)C1=CC(=O)CS1 ZINC000827640297 744953061 /nfs/dbraw/zinc/95/30/61/744953061.db2.gz UDKCGYBKJBMFOZ-UHFFFAOYSA-N 0 0 368.480 2.939 20 10 FFCDRN CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000827688059 744960456 /nfs/dbraw/zinc/96/04/56/744960456.db2.gz ZDNHYNSARCSDGG-NSHDSACASA-N 0 0 355.822 2.690 20 10 FFCDRN Cc1n[nH]cc1CCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000828094340 745026706 /nfs/dbraw/zinc/02/67/06/745026706.db2.gz ORULVUCJUJISAU-UHFFFAOYSA-N 0 0 355.467 2.710 20 10 FFCDRN COC1CCN(c2ccc(CN3CC[C@@H](C)[S@](=O)CC3)cc2)CC1 ZINC000829233601 745181883 /nfs/dbraw/zinc/18/18/83/745181883.db2.gz CGGPZLAMUYEHKH-VOIUYBSRSA-N 0 0 350.528 2.645 20 10 FFCDRN COC(=O)c1cnc(SCCOc2cccc(C(=O)OC)c2)s1 ZINC000829684257 745244548 /nfs/dbraw/zinc/24/45/48/745244548.db2.gz JRGQODWYQJZVRZ-UHFFFAOYSA-N 0 0 353.421 2.887 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H](OC)C3CCCC3)CC2)cc1F ZINC000829869439 745272473 /nfs/dbraw/zinc/27/24/73/745272473.db2.gz QEZZILSWGBXCSS-SFHVURJKSA-N 0 0 350.434 2.688 20 10 FFCDRN CCOc1ccncc1S(=O)(=O)NCc1ccc(N(CC)CC)cc1 ZINC000830074106 745302425 /nfs/dbraw/zinc/30/24/25/745302425.db2.gz FTIHEXSGFFEYCL-UHFFFAOYSA-N 0 0 363.483 2.805 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)c3cc(C)cs3)CC2)cc1 ZINC000830124548 745311587 /nfs/dbraw/zinc/31/15/87/745311587.db2.gz GUSAYKWJBSUQIH-UHFFFAOYSA-N 0 0 366.508 2.966 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)c1 ZINC000830638491 745396571 /nfs/dbraw/zinc/39/65/71/745396571.db2.gz GZVJAPHCRRTIPN-UHFFFAOYSA-N 0 0 367.389 2.941 20 10 FFCDRN CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCc1cc(Br)ccc1O ZINC000831937226 745608119 /nfs/dbraw/zinc/60/81/19/745608119.db2.gz NSPHEAABTIKBHA-ZANVPECISA-N 0 0 373.247 2.542 20 10 FFCDRN CCOC(=O)c1csc([C@H]2CCCN2C(=O)Cc2ccc(N)cc2)n1 ZINC000832173628 745650724 /nfs/dbraw/zinc/65/07/24/745650724.db2.gz SQPFODTUDALXNM-OAHLLOKOSA-N 0 0 359.451 2.808 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000832298276 745674316 /nfs/dbraw/zinc/67/43/16/745674316.db2.gz KQRRTEGAGVPFJS-LKFCYVNXSA-N 0 0 351.752 2.993 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)CS3)CC[C@H]21 ZINC000832800733 745757172 /nfs/dbraw/zinc/75/71/72/745757172.db2.gz YWFLHWRVYFUIPO-WCQYABFASA-N 0 0 352.456 2.925 20 10 FFCDRN CC1(C)CN(C(=O)c2c(F)ccc(O)c2O)C[C@@](C)(C(F)(F)F)O1 ZINC000832878174 745765160 /nfs/dbraw/zinc/76/51/60/745765160.db2.gz RKJNDBUPOUKVQT-AWEZNQCLSA-N 0 0 351.296 2.809 20 10 FFCDRN C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(F)cc(F)c1[O-] ZINC000834840305 745912365 /nfs/dbraw/zinc/91/23/65/745912365.db2.gz IVINVHVIFCXUJT-VIFPVBQESA-N 0 0 373.197 2.945 20 10 FFCDRN CN(C)c1ccc(/C=C\CN2CCn3c(nnc3C(F)(F)F)C2)cc1 ZINC000835028555 745933180 /nfs/dbraw/zinc/93/31/80/745933180.db2.gz LZERSXGXQZAGIN-ARJAWSKDSA-N 0 0 351.376 2.892 20 10 FFCDRN CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000835067382 745943286 /nfs/dbraw/zinc/94/32/86/745943286.db2.gz QUNVOXQHXMILDN-CYBMUJFWSA-N 0 0 374.840 2.910 20 10 FFCDRN Cc1cc(C(=O)N2CCN(Cc3cc(Cl)cc(C)c3O)[C@H](C)C2)[nH]n1 ZINC000835072460 745945200 /nfs/dbraw/zinc/94/52/00/745945200.db2.gz AYEYLZXLEXBZEJ-CYBMUJFWSA-N 0 0 362.861 2.732 20 10 FFCDRN O=C(NCCC1CC(F)(F)C1)NCc1ccc(N2CCOCC2)cc1 ZINC000836250205 746174769 /nfs/dbraw/zinc/17/47/69/746174769.db2.gz UARYDNXFHIWAFQ-UHFFFAOYSA-N 0 0 353.413 2.758 20 10 FFCDRN CCn1cc([C@@H](C)NC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000836641759 746274635 /nfs/dbraw/zinc/27/46/35/746274635.db2.gz MBPGEDCNQAAONT-SNVBAGLBSA-N 0 0 367.247 2.932 20 10 FFCDRN CC(C)(O)C(C)(C)CNC(=O)NCc1cccc(Br)c1O ZINC000836652836 746276428 /nfs/dbraw/zinc/27/64/28/746276428.db2.gz GUMOHWYWJISPPR-UHFFFAOYSA-N 0 0 359.264 2.751 20 10 FFCDRN 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CCCCN1CC[C@]2(CCCN(C(=O)c3ccc(O)c(O)c3)CC2)C1=O ZINC001271857286 979158189 /nfs/dbraw/zinc/15/81/89/979158189.db2.gz MJTKZZQXTOASAN-HXUWFJFHSA-N 0 0 360.454 2.743 20 10 FFCDRN CC(C)c1nc2cc(NC(=O)C(=O)NCCc3ccc(N)cc3)ccc2o1 ZINC000841175919 979366847 /nfs/dbraw/zinc/36/68/47/979366847.db2.gz MOQDMNCVHMILKE-UHFFFAOYSA-N 0 0 366.421 2.831 20 10 FFCDRN CCn1nncc1/C=C1/CCn2c1nc1cc(C(F)(F)F)ccc1c2=O ZINC000668120003 979758518 /nfs/dbraw/zinc/75/85/18/979758518.db2.gz KLTUIRDBPVBTDT-YFHOEESVSA-N 0 0 361.327 2.971 20 10 FFCDRN COc1ccc(C[C@](C)(O)C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1OC ZINC000877542104 1014620324 /nfs/dbraw/zinc/62/03/24/1014620324.db2.gz VKTJJWUAWXRGOD-IBGZPJMESA-N 0 0 367.392 2.771 20 10 FFCDRN OCCOCc1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877598260 1014640652 /nfs/dbraw/zinc/64/06/52/1014640652.db2.gz BJFYYZOSRHYURB-UHFFFAOYSA-N 0 0 356.466 2.769 20 10 FFCDRN COC(=O)[C@@](C)(NCc1cc(OC)c(OC)cc1O)c1ccc(F)cc1 ZINC000877676311 1014671830 /nfs/dbraw/zinc/67/18/30/1014671830.db2.gz 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O=C(NCCc1ccc(O)c(O)c1)c1cnn2c1nccc2-c1ccccc1 ZINC000156639437 984358757 /nfs/dbraw/zinc/35/87/57/984358757.db2.gz LCYTVVZIUSQECY-UHFFFAOYSA-N 0 0 374.400 2.780 20 10 FFCDRN Cc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c(C)n1-c1ccc(F)cc1 ZINC000164441600 984369602 /nfs/dbraw/zinc/36/96/02/984369602.db2.gz GQNDHSJFNOBPQD-UHFFFAOYSA-N 0 0 371.372 2.768 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)[C@@H]3CN(C)CCO3)c2C)cc1 ZINC000127092964 1015031617 /nfs/dbraw/zinc/03/16/17/1015031617.db2.gz KQUNKXVHASWENS-YWZLYKJASA-N 0 0 371.481 2.552 20 10 FFCDRN COc1ccc(N2CCN([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000057548278 984503489 /nfs/dbraw/zinc/50/34/89/984503489.db2.gz IZHYIQWHEVUPRG-MBOZVWFJSA-N 0 0 359.514 2.901 20 10 FFCDRN Cc1cccc(C)c1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057738866 984515294 /nfs/dbraw/zinc/51/52/94/984515294.db2.gz WCXOUOSRRTVJOE-UHFFFAOYSA-N 0 0 351.450 2.941 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000057993873 984531375 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C[C@@H](NC(=O)N1CCC12CCOCC2)c1ccc(N2CCOCC2)cc1 ZINC000765476036 985113448 /nfs/dbraw/zinc/11/34/48/985113448.db2.gz IUAQBGGYNPTHGS-MRXNPFEDSA-N 0 0 359.470 2.549 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cnc4onc(C)c4c3)CC2)cc1 ZINC000171018314 985200197 /nfs/dbraw/zinc/20/01/97/985200197.db2.gz YXLCRLZSKZRJFI-UHFFFAOYSA-N 0 0 366.421 2.939 20 10 FFCDRN C[C@H](NC(=O)N[C@H]1CCCc2c[nH]nc21)c1ccc(N2CCOCC2)cc1 ZINC000765699541 985308968 /nfs/dbraw/zinc/30/89/68/985308968.db2.gz WWGXLBKDPDOVTP-KSSFIOAISA-N 0 0 369.469 2.684 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)Cc2ccccc2)cc1 ZINC000171590251 985331229 /nfs/dbraw/zinc/33/12/29/985331229.db2.gz IFWBIOKIAPUMGS-FQEVSTJZSA-N 0 0 355.482 2.936 20 10 FFCDRN Cc1nn(C)c(C)c1CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000062029206 985421701 /nfs/dbraw/zinc/42/17/01/985421701.db2.gz NCFURFSBBIBKMM-UHFFFAOYSA-N 0 0 355.486 2.679 20 10 FFCDRN Ic1ccccc1-c1noc(-c2csnn2)n1 ZINC001212362427 985545047 /nfs/dbraw/zinc/54/50/47/985545047.db2.gz SZCQNRBBMKGFEJ-UHFFFAOYSA-N 0 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/nfs/dbraw/zinc/08/67/80/986086780.db2.gz NEKNMCVJYOXAQQ-UHFFFAOYSA-N 0 0 371.462 2.885 20 10 FFCDRN CC(=O)N1CC[C@H](NC(=O)NCc2c(O)cccc2F)c2ccccc21 ZINC000921666534 986139312 /nfs/dbraw/zinc/13/93/12/986139312.db2.gz GMAGJGFPRDNULT-INIZCTEOSA-N 0 0 357.385 2.828 20 10 FFCDRN CC(=O)[C@@H]1CCCN(Cc2ccc(I)cc2O)C1 ZINC001232979654 986351757 /nfs/dbraw/zinc/35/17/57/986351757.db2.gz ICLMCLQHTLADLB-LLVKDONJSA-N 0 0 359.207 2.798 20 10 FFCDRN O=S(=O)(NCc1cc(Cl)ccc1O)c1cnn(-c2ccccc2)c1 ZINC001212413022 986384716 /nfs/dbraw/zinc/38/47/16/986384716.db2.gz BQSQAKZRJXCFGZ-UHFFFAOYSA-N 0 0 363.826 2.710 20 10 FFCDRN O=C(c1cccn2nccc12)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000878780153 1015216035 /nfs/dbraw/zinc/21/60/35/1015216035.db2.gz GZHFYKGMMBWWKY-MRXNPFEDSA-N 0 0 351.406 2.861 20 10 FFCDRN Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186429311 986449398 /nfs/dbraw/zinc/44/93/98/986449398.db2.gz BGWWMENKLJNKII-SNVBAGLBSA-N 0 0 370.434 2.681 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1cn(C)nc1C(F)(F)F ZINC000151703096 986818622 /nfs/dbraw/zinc/81/86/22/986818622.db2.gz SHAWUQHMNWQHLO-UHFFFAOYSA-N 0 0 369.391 2.813 20 10 FFCDRN CCOC(=O)N1CC[C@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001128148606 986994343 /nfs/dbraw/zinc/99/43/43/986994343.db2.gz LZFBWENVUKIRCY-SFHVURJKSA-N 0 0 369.465 2.984 20 10 FFCDRN CCOC(=O)N1CC[C@@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001128148605 986994428 /nfs/dbraw/zinc/99/44/28/986994428.db2.gz LZFBWENVUKIRCY-GOSISDBHSA-N 0 0 369.465 2.984 20 10 FFCDRN Cc1cn2ccnc(C(=O)NCc3ccc(N4CCSCC4)cc3)c2n1 ZINC000761580407 987326393 /nfs/dbraw/zinc/32/63/93/987326393.db2.gz SVVWJAWNAIIKIC-UHFFFAOYSA-N 0 0 367.478 2.521 20 10 FFCDRN O=C(NCc1nc2c(s1)COCC2)NCc1ccc(N2CCCC2)cc1 ZINC000914179988 987343559 /nfs/dbraw/zinc/34/35/59/987343559.db2.gz AEXJORPBOSJGBT-UHFFFAOYSA-N 0 0 372.494 2.815 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914180481 987344732 /nfs/dbraw/zinc/34/47/32/987344732.db2.gz NVACWPKVGMGFIB-OALUTQOASA-N 0 0 374.554 2.666 20 10 FFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000152538948 987353834 /nfs/dbraw/zinc/35/38/34/987353834.db2.gz WJBGQCCLJCMWQD-HNNXBMFYSA-N 0 0 361.405 2.654 20 10 FFCDRN O=C(NCC[C@H]1CCC2(CCC2)O1)NCc1ccc(N2CCOCC2)cc1 ZINC000914335911 987442383 /nfs/dbraw/zinc/44/23/83/987442383.db2.gz UGBLCYBFBHSRNB-LJQANCHMSA-N 0 0 373.497 2.814 20 10 FFCDRN C[C@@H](C[C@H](O)c1ccco1)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000152914183 987491097 /nfs/dbraw/zinc/49/10/97/987491097.db2.gz AJOTXISJYGDJAF-KSSFIOAISA-N 0 0 357.454 2.973 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@H]3CC[C@H](CO)CC3)CC2)cc1 ZINC000153117004 987658849 /nfs/dbraw/zinc/65/88/49/987658849.db2.gz OUERSSVVPXDCLO-IYBDPMFKSA-N 0 0 361.486 2.514 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CCn2ccnn2)cc1 ZINC000914499587 987742265 /nfs/dbraw/zinc/74/22/65/987742265.db2.gz WFEFETNTBYQADT-UHFFFAOYSA-N 0 0 353.426 2.556 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(F)ccc2N2CCOCC2)c1 ZINC000761975198 988010721 /nfs/dbraw/zinc/01/07/21/988010721.db2.gz ZSLYGAYUNDDSIR-ZDUSSCGKSA-N 0 0 374.412 2.868 20 10 FFCDRN CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000761987681 988031280 /nfs/dbraw/zinc/03/12/80/988031280.db2.gz SBTIXRWMGJKMFU-INIZCTEOSA-N 0 0 360.458 2.686 20 10 FFCDRN CCOCCCNC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914903692 988034335 /nfs/dbraw/zinc/03/43/35/988034335.db2.gz RXRJTTRVFOZSLE-MRXNPFEDSA-N 0 0 373.453 2.577 20 10 FFCDRN CCOc1ccc(N(CC(=O)N2CCC3(CC2)OCCO3)CC2CC2)cc1 ZINC000879117547 1015370171 /nfs/dbraw/zinc/37/01/71/1015370171.db2.gz WETSXRDBSRZVPC-UHFFFAOYSA-N 0 0 374.481 2.667 20 10 FFCDRN CN(c1ccc(CNC(=O)NCC[C@@H]2CNC(=O)C2)cc1)C1CCCCC1 ZINC000915089675 988219906 /nfs/dbraw/zinc/21/99/06/988219906.db2.gz HXGSMBSZPOUIOV-KRWDZBQOSA-N 0 0 372.513 2.781 20 10 FFCDRN Cc1cc(C)n(-c2ccc(CC(=O)NCCc3ccc(O)c(O)c3)cc2)n1 ZINC000762268252 988264593 /nfs/dbraw/zinc/26/45/93/988264593.db2.gz CEQAOORVLGJYQN-UHFFFAOYSA-N 0 0 365.433 2.802 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)cc1F ZINC000915365514 988483281 /nfs/dbraw/zinc/48/32/81/988483281.db2.gz GTQBDQRLXSHLNL-UEDWGHLCSA-N 0 0 371.456 2.784 20 10 FFCDRN Cc1ncc2c(n1)CC[C@H](NC(=O)NCc1ccc(N3CCCC3)cc1)C2 ZINC000915714469 988882432 /nfs/dbraw/zinc/88/24/32/988882432.db2.gz FJPXSQMURQMHSZ-SFHVURJKSA-N 0 0 365.481 2.742 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3nc(C)ccc3OC)CC2)cc1 ZINC000127629690 1015453644 /nfs/dbraw/zinc/45/36/44/1015453644.db2.gz DABSLMPMEWHLBJ-UHFFFAOYSA-N 0 0 356.426 2.761 20 10 FFCDRN Cc1nc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)co1 ZINC000186964672 989479111 /nfs/dbraw/zinc/47/91/11/989479111.db2.gz BLJXTPKMSKUTFL-UHFFFAOYSA-N 0 0 369.343 2.768 20 10 FFCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000763334813 989693519 /nfs/dbraw/zinc/69/35/19/989693519.db2.gz VNCNHIMCLAZUKF-QGZVFWFLSA-N 0 0 358.482 2.659 20 10 FFCDRN Cc1cc(CCNC(=O)N[C@@H]2CCCCNC2=O)c(C)n1-c1ccccc1 ZINC000916221231 989761873 /nfs/dbraw/zinc/76/18/73/989761873.db2.gz UVHCWBKJHVMUGU-LJQANCHMSA-N 0 0 368.481 2.605 20 10 FFCDRN C[C@@H]1COC[C@@H]1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000916244730 989768190 /nfs/dbraw/zinc/76/81/90/989768190.db2.gz WFJBRMBPNCDMGC-WBMJQRKESA-N 0 0 369.412 2.591 20 10 FFCDRN CCCC(=O)NC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000916587409 989831304 /nfs/dbraw/zinc/83/13/04/989831304.db2.gz FHLKOJJDICDUPP-UHFFFAOYSA-N 0 0 372.513 2.877 20 10 FFCDRN COc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)ccc1OC(F)F ZINC000916617431 989841013 /nfs/dbraw/zinc/84/10/13/989841013.db2.gz QQYBUJWFPGHVKF-UHFFFAOYSA-N 0 0 368.288 2.748 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2ccoc2C)cc1 ZINC000916732548 989971564 /nfs/dbraw/zinc/97/15/64/989971564.db2.gz RGJZJRIRIBFSEC-UHFFFAOYSA-N 0 0 357.454 2.823 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 ZINC000916739839 989975362 /nfs/dbraw/zinc/97/53/62/989975362.db2.gz BZNHEBDJOPBACW-LYASGUKUSA-N 0 0 370.409 2.899 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)c1ccc(C)cc1C)cc2=O ZINC000917206028 990169004 /nfs/dbraw/zinc/16/90/04/990169004.db2.gz OUQDYFDYITWUSJ-UHFFFAOYSA-N 0 0 354.410 2.865 20 10 FFCDRN CCc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1S(C)(=O)=O ZINC000154324456 990174400 /nfs/dbraw/zinc/17/44/00/990174400.db2.gz MBRPPESSRPJHSC-UHFFFAOYSA-N 0 0 374.506 2.957 20 10 FFCDRN O=C([C@H]1COc2ccccc2O1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000917364984 990202585 /nfs/dbraw/zinc/20/25/85/990202585.db2.gz URFZLKNYBGGKAR-OXJNMPFZSA-N 0 0 369.417 2.740 20 10 FFCDRN CC(C)[C@@H](C)N(C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000918117860 990337757 /nfs/dbraw/zinc/33/77/57/990337757.db2.gz RIDFLQGTHUICKU-WBVHZDCISA-N 0 0 360.502 2.574 20 10 FFCDRN COc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)c(OC)c1OC ZINC000918374461 990380499 /nfs/dbraw/zinc/38/04/99/990380499.db2.gz GBXLPNWZIBJJDL-UHFFFAOYSA-N 0 0 372.421 2.801 20 10 FFCDRN [O-]c1cccc(F)c1C[N@@H+]1CC[C@H](Oc2ncc(Br)cn2)C1 ZINC001137837462 990454349 /nfs/dbraw/zinc/45/43/49/990454349.db2.gz HWNICHPZIVFKQN-NSHDSACASA-N 0 0 368.206 2.737 20 10 FFCDRN Cc1nc(C)c(CC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(=O)[nH]1 ZINC000918658642 990462956 /nfs/dbraw/zinc/46/29/56/990462956.db2.gz PJGRWKUYMNCTNP-UHFFFAOYSA-N 0 0 356.470 2.845 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCC[C@@H]2OCCc3ccccc32)c1 ZINC000918745585 990486655 /nfs/dbraw/zinc/48/66/55/990486655.db2.gz OPKJWXUHZGTZGR-IBGZPJMESA-N 0 0 356.422 2.904 20 10 FFCDRN [O-]c1c(CN2C[C@@H]3C[NH2+][C@@H]3C2)cc(Br)cc1C(F)(F)F ZINC001236282302 990783237 /nfs/dbraw/zinc/78/32/37/990783237.db2.gz GTKOEUXEKKSHHD-GZMMTYOYSA-N 0 0 351.166 2.577 20 10 FFCDRN CCC/C(C)=C\C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000920695649 990905924 /nfs/dbraw/zinc/90/59/24/990905924.db2.gz HYOTXYIMAOKGCK-PEZBUJJGSA-N 0 0 360.454 2.633 20 10 FFCDRN CCN(CC(=O)NC(=O)NC1CCCCC1)c1ccc(OC)c(OC)c1 ZINC000921060890 990965032 /nfs/dbraw/zinc/96/50/32/990965032.db2.gz CMFBZLWFRBZNRI-UHFFFAOYSA-N 0 0 363.458 2.689 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCCn1c(=O)[nH]c2ccccc21 ZINC000175066862 991149344 /nfs/dbraw/zinc/14/93/44/991149344.db2.gz ZDEKDKJNNXYGIO-UHFFFAOYSA-N 0 0 368.437 2.657 20 10 FFCDRN O=C(CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)NC1CCCC1 ZINC000161311320 991207603 /nfs/dbraw/zinc/20/76/03/991207603.db2.gz BLAIWNYJQNZAOS-GOSISDBHSA-N 0 0 374.481 2.739 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cn(-c3ccc(F)cc3C)nn2)c1 ZINC000179689860 991321370 /nfs/dbraw/zinc/32/13/70/991321370.db2.gz ISDUXHHTAQPOKV-LBPRGKRZSA-N 0 0 370.384 2.920 20 10 FFCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000435870196 991417732 /nfs/dbraw/zinc/41/77/32/991417732.db2.gz DWMLMJHHTUBAJN-FPDPHYFHSA-N 0 0 367.493 2.844 20 10 FFCDRN C[C@@H](NC(=O)COc1ccccc1C#N)c1ccc(N2CCOCC2)cc1 ZINC000068512592 991455002 /nfs/dbraw/zinc/45/50/02/991455002.db2.gz ZVWGYVKLUUOQGI-MRXNPFEDSA-N 0 0 365.433 2.651 20 10 FFCDRN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180663888 991534351 /nfs/dbraw/zinc/53/43/51/991534351.db2.gz AGDVTVQRABAJFF-RUDMXATFSA-N 0 0 352.390 2.950 20 10 FFCDRN CCc1nn(C)c(CC)c1CNC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000127948726 1015643026 /nfs/dbraw/zinc/64/30/26/1015643026.db2.gz RXLCGLBIMIGORQ-LBPRGKRZSA-N 0 0 360.458 2.820 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1nnc(-c2ccccc2)o1 ZINC000180859651 991565675 /nfs/dbraw/zinc/56/56/75/991565675.db2.gz ANHYZEPDGJTOLH-VQHVLOKHSA-N 0 0 351.362 2.520 20 10 FFCDRN CN(CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccc2c(c1)OCO2 ZINC000181773802 991877275 /nfs/dbraw/zinc/87/72/75/991877275.db2.gz IOFJEXTXHWRHCL-UHFFFAOYSA-N 0 0 361.329 2.928 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCO[C@@H]2COCC[C@@H]21 ZINC000888787501 1015682218 /nfs/dbraw/zinc/68/22/18/1015682218.db2.gz YWFFHJKPVXIRPF-VQTJNVASSA-N 0 0 368.433 2.537 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(-c2nc(C3CC3)no2)cc1 ZINC000182531586 992097191 /nfs/dbraw/zinc/09/71/91/992097191.db2.gz SRLIEWOSMCCARL-UHFFFAOYSA-N 0 0 351.362 2.955 20 10 FFCDRN CC(C)(C)CNC(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182535876 992119185 /nfs/dbraw/zinc/11/91/85/992119185.db2.gz ZQGFXBCPSAOYDI-UHFFFAOYSA-N 0 0 356.422 2.804 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](C)c2nc(Cc3ccccc3)no2)c(O)c1O ZINC000182568275 992157592 /nfs/dbraw/zinc/15/75/92/992157592.db2.gz LXHQKARXHKRAKS-LBPRGKRZSA-N 0 0 353.378 2.871 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCc3ccc([N+](=O)[O-])cc32)cc1 ZINC000182748113 992252366 /nfs/dbraw/zinc/25/23/66/992252366.db2.gz BIASABUSHADLHN-UHFFFAOYSA-N 0 0 368.437 2.682 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c(O)c1O ZINC000182955585 992318727 /nfs/dbraw/zinc/31/87/27/992318727.db2.gz DSXMVMGLESFPDS-HZPDHXFCSA-N 0 0 362.376 2.860 20 10 FFCDRN CC[C@H](CO)[NH+]1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000183105133 992360931 /nfs/dbraw/zinc/36/09/31/992360931.db2.gz XQWDKZAUFYXIPD-HXUWFJFHSA-N 0 0 370.493 2.860 20 10 FFCDRN Cn1nc(NC(=O)N(Cc2ccccc2O)C2CCCCC2)ccc1=O ZINC000879897251 1015703004 /nfs/dbraw/zinc/70/30/04/1015703004.db2.gz BKAFPLNJDZCPCK-UHFFFAOYSA-N 0 0 356.426 2.853 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2ccccc2N2CCOCC2)cc1 ZINC000183226989 992391617 /nfs/dbraw/zinc/39/16/17/992391617.db2.gz MLPGDEPSHZVIJC-UHFFFAOYSA-N 0 0 370.449 2.711 20 10 FFCDRN Cc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)n2nc(C(F)(F)F)nc2n1 ZINC000183599056 992492928 /nfs/dbraw/zinc/49/29/28/992492928.db2.gz HKURKFJOIGGDNJ-QMMMGPOBSA-N 0 0 367.331 2.906 20 10 FFCDRN Cc1cc(N2CC=C(CCNC(=O)[C@H]3CC[C@@H](C)O3)CC2)nc(C2CC2)n1 ZINC001089864741 992655270 /nfs/dbraw/zinc/65/52/70/992655270.db2.gz CNRGTTSCHCCJKB-CRAIPNDOSA-N 0 0 370.497 2.873 20 10 FFCDRN Cc1nc(C)c(C)c(N2CC=C(CCNC(=O)[C@H]3CC[C@@H](C)O3)CC2)n1 ZINC001089864771 992655288 /nfs/dbraw/zinc/65/52/88/992655288.db2.gz FICMITUUQYHFCM-FZKQIMNGSA-N 0 0 358.486 2.612 20 10 FFCDRN CCc1nc(C)cc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)n1 ZINC001089864968 992661578 /nfs/dbraw/zinc/66/15/78/992661578.db2.gz IECKATJEQURGLJ-KURKYZTESA-N 0 0 370.497 2.558 20 10 FFCDRN COCc1c(C(=O)N(C)Cc2ccccc2O)cnn1-c1ccccc1 ZINC000184566081 992847884 /nfs/dbraw/zinc/84/78/84/992847884.db2.gz XRKMRNUONYFZJE-UHFFFAOYSA-N 0 0 351.406 2.997 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCc3c(Cl)cccc3C2)cc1 ZINC000785422988 993234242 /nfs/dbraw/zinc/23/42/42/993234242.db2.gz SHKQYFCPIYMNNZ-UHFFFAOYSA-N 0 0 371.868 2.607 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cncc4[nH]ccc43)C2)cc1 ZINC000880344407 1015811877 /nfs/dbraw/zinc/81/18/77/1015811877.db2.gz YGSXWYJABCYMIE-AWEZNQCLSA-N 0 0 350.422 2.828 20 10 FFCDRN COc1cccc(O)c1CNc1cccc(N2C(=O)N[C@@H](C)C2=O)c1C ZINC000808446678 994121354 /nfs/dbraw/zinc/12/13/54/994121354.db2.gz JKOPLZNRYDKLNJ-LBPRGKRZSA-N 0 0 355.394 2.766 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCC2 ZINC000808514651 994146330 /nfs/dbraw/zinc/14/63/30/994146330.db2.gz NGFLMAAAFMQEAH-UHFFFAOYSA-N 0 0 371.414 2.804 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccc2c(c1)ncn2-c1cc(C)ccc1C ZINC000808539561 994158794 /nfs/dbraw/zinc/15/87/94/994158794.db2.gz GIAPEXSCYMWVQM-UHFFFAOYSA-N 0 0 350.374 2.957 20 10 FFCDRN COC(=O)c1cc(NC(=O)NCc2cccc(OC)c2O)cc2[nH]ccc21 ZINC000808874149 994327786 /nfs/dbraw/zinc/32/77/86/994327786.db2.gz VBSNXQBSLADELT-UHFFFAOYSA-N 0 0 369.377 2.990 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000808923305 994336223 /nfs/dbraw/zinc/33/62/23/994336223.db2.gz MEIWYFPSMWTAHO-UHFFFAOYSA-N 0 0 363.373 2.834 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccncc1CC ZINC000809517596 994533008 /nfs/dbraw/zinc/53/30/08/994533008.db2.gz JCWRVBXPYXYNJH-UHFFFAOYSA-N 0 0 369.465 2.795 20 10 FFCDRN COC1(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCC1 ZINC000809695235 994569842 /nfs/dbraw/zinc/56/98/42/994569842.db2.gz DQZPGFQFLAXVHY-UHFFFAOYSA-N 0 0 374.481 2.739 20 10 FFCDRN c1ccc(CN2CCc3cc(CN4C[C@@H]5COC[C@H](C4)O5)ccc32)cc1 ZINC000809663531 994574473 /nfs/dbraw/zinc/57/44/73/994574473.db2.gz QFYWIYIPXJQGNY-OYRHEFFESA-N 0 0 350.462 2.849 20 10 FFCDRN CN(C)c1ccc(OCC(=O)NCC2(c3ccccc3)CCOCC2)cc1 ZINC000810002397 994669916 /nfs/dbraw/zinc/66/99/16/994669916.db2.gz WSCDGNHADNFSSP-UHFFFAOYSA-N 0 0 368.477 2.996 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CC3(CCC3)[C@H]2[C@@H]2CCCO2)cc1 ZINC000810092180 994696448 /nfs/dbraw/zinc/69/64/48/994696448.db2.gz SRNASGYRKHPGDO-PZJWPPBQSA-N 0 0 371.525 2.745 20 10 FFCDRN COc1ccccc1CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)OC ZINC000810107879 994702228 /nfs/dbraw/zinc/70/22/28/994702228.db2.gz ZFHGVHSIPMLJAM-UHFFFAOYSA-N 0 0 371.481 2.783 20 10 FFCDRN Cc1ncc2n1CC[C@H](C(=O)NCc1ccc(N3CCSCC3)cc1)C2 ZINC000810161428 994722019 /nfs/dbraw/zinc/72/20/19/994722019.db2.gz LLBXZUSVSRTUOW-KRWDZBQOSA-N 0 0 370.522 2.624 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccccc1N1CCOCC1)c1cc(C(=O)[O-])ccc1O ZINC001593302887 994730825 /nfs/dbraw/zinc/73/08/25/994730825.db2.gz AYEFPCVQJXQHKU-CQSZACIVSA-N 0 0 356.422 2.778 20 10 FFCDRN O=C(COC(=O)c1cnnc(-c2ccccc2)c1)c1ccc(O)c(O)c1 ZINC000811289680 995088134 /nfs/dbraw/zinc/08/81/34/995088134.db2.gz IBIGMROKGVVHGI-UHFFFAOYSA-N 0 0 350.330 2.595 20 10 FFCDRN CC(C)OCc1nc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)no1 ZINC000811519301 995162695 /nfs/dbraw/zinc/16/26/95/995162695.db2.gz XUDKRCWLTXGQLR-OAHLLOKOSA-N 0 0 360.458 2.682 20 10 FFCDRN COc1ccc(N2CCCN(CN3C(=O)C(C)(C)[C@H]3C3CC3)CC2)cc1 ZINC000811735061 995233195 /nfs/dbraw/zinc/23/31/95/995233195.db2.gz LAFCUKMWGHCPEU-LJQANCHMSA-N 0 0 357.498 2.812 20 10 FFCDRN Cc1nc(-c2ccc(NCCc3ccc(O)c(O)c3)nc2)[nH]c(=O)c1C ZINC000811811189 995259811 /nfs/dbraw/zinc/25/98/11/995259811.db2.gz OXNPVYXQFAOIRG-UHFFFAOYSA-N 0 0 352.394 2.927 20 10 FFCDRN CC[C@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)OC ZINC000811968623 995303901 /nfs/dbraw/zinc/30/39/01/995303901.db2.gz QUKSQDMJDKJUJI-UKRRQHHQSA-N 0 0 371.428 2.981 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)C[C@@H](O)C(C)(C)C)cc1 ZINC000803567962 1015960899 /nfs/dbraw/zinc/96/08/99/1015960899.db2.gz WZYVWIZSNOVZFW-IEBWSBKVSA-N 0 0 358.482 2.982 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C[C@H](O)Cc3ccccc3)CC2)cc1 ZINC000813417657 995685464 /nfs/dbraw/zinc/68/54/64/995685464.db2.gz VLURICFJAHHPOI-HXUWFJFHSA-N 0 0 368.477 2.728 20 10 FFCDRN CN1C(=O)c2ccccc2/C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000727264759 995744905 /nfs/dbraw/zinc/74/49/05/995744905.db2.gz ZWPLSUAGCXWDOK-ATVHPVEESA-N 0 0 366.392 2.815 20 10 FFCDRN C[C@H](NC(=O)Nc1ccn(CCF)n1)c1ccc(N2CCOCC2)cc1 ZINC000880769148 1015973796 /nfs/dbraw/zinc/97/37/96/1015973796.db2.gz JSHXURIIDGLOFW-AWEZNQCLSA-N 0 0 361.421 2.572 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2c(C)c(C)nn(C)c2=O)cc1 ZINC000728162846 996155033 /nfs/dbraw/zinc/15/50/33/996155033.db2.gz GHZZIMPGLKIKDL-UHFFFAOYSA-N 0 0 356.470 2.516 20 10 FFCDRN CC(C)CC1(CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CCC1 ZINC000803663707 1016039509 /nfs/dbraw/zinc/03/95/09/1016039509.db2.gz XPGGQUPHIBZNTP-UHFFFAOYSA-N 0 0 363.477 2.841 20 10 FFCDRN CC[C@@H](C)[C@@H](C)N(C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000803663245 1016039598 /nfs/dbraw/zinc/03/95/98/1016039598.db2.gz LLTYROPIUALMPX-ZIAGYGMSSA-N 0 0 363.477 2.934 20 10 FFCDRN Nc1ccc(OCc2cn(CC(=O)NC3CCCCCCC3)nn2)cc1 ZINC000880970973 1016054043 /nfs/dbraw/zinc/05/40/43/1016054043.db2.gz AZSPUCSTWRWOAW-UHFFFAOYSA-N 0 0 357.458 2.668 20 10 FFCDRN COC1(OC)CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C[C@@H]1O ZINC000824085597 996792069 /nfs/dbraw/zinc/79/20/69/996792069.db2.gz KQJRBADDVZVKGR-IBGZPJMESA-N 0 0 372.465 2.598 20 10 FFCDRN NC(=O)c1ccc(/C=C\C(=O)NCc2ccc(N3CCCCC3)cc2)o1 ZINC000824261733 996867416 /nfs/dbraw/zinc/86/74/16/996867416.db2.gz KDUXLEGZACHCBU-LUAWRHEFSA-N 0 0 353.422 2.698 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000824261780 996867572 /nfs/dbraw/zinc/86/75/72/996867572.db2.gz LSYQVKFCSUNASQ-UFYCRDLUSA-N 0 0 369.509 2.988 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000824261779 996867866 /nfs/dbraw/zinc/86/78/66/996867866.db2.gz LSYQVKFCSUNASQ-SLFFLAALSA-N 0 0 369.509 2.988 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3cc4ccccn4n3)C2)cc1 ZINC000824337440 996894372 /nfs/dbraw/zinc/89/43/72/996894372.db2.gz IXQYLENVCGXLHL-OAHLLOKOSA-N 0 0 365.437 2.991 20 10 FFCDRN CCCCN(CCCO)C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824685447 997052542 /nfs/dbraw/zinc/05/25/42/997052542.db2.gz DPDBKTTVWWFOKI-KRWDZBQOSA-N 0 0 363.502 2.716 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3cccn(CC(C)C)c3=O)C2)cc1 ZINC000824727223 997074444 /nfs/dbraw/zinc/07/44/44/997074444.db2.gz CLICWCDXBWPKKA-INIZCTEOSA-N 0 0 369.465 2.522 20 10 FFCDRN COc1ccc(C(=O)[O-])c2c1C[N@H+](Cc1cc(C)cc(OC)c1O)CC2 ZINC001599393129 997075000 /nfs/dbraw/zinc/07/50/00/997075000.db2.gz XHVYVGJMGUTMJQ-UHFFFAOYSA-N 0 0 357.406 2.974 20 10 FFCDRN CCSc1c[nH]c(=O)c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000824729273 997075182 /nfs/dbraw/zinc/07/51/82/997075182.db2.gz VCCLKMHGDBTPIB-ZDUSSCGKSA-N 0 0 373.478 2.917 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000824983370 997170456 /nfs/dbraw/zinc/17/04/56/997170456.db2.gz VDBWRMODNMCHML-GOSISDBHSA-N 0 0 355.394 2.545 20 10 FFCDRN C[C@H]1Cc2cccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2O1 ZINC000825393240 997358070 /nfs/dbraw/zinc/35/80/70/997358070.db2.gz CGXFAODWVUJOEG-HNNXBMFYSA-N 0 0 352.434 2.777 20 10 FFCDRN O=C(c1cn(C2CCC2)nn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000843835313 997436890 /nfs/dbraw/zinc/43/68/90/997436890.db2.gz ICTGRDNGPJXZOA-MRXNPFEDSA-N 0 0 356.426 2.530 20 10 FFCDRN COc1cc(Cl)cc(C[NH+]2CCC(O)(C3(C(=O)[O-])CCC3)CC2)c1O ZINC001599420982 997593261 /nfs/dbraw/zinc/59/32/61/997593261.db2.gz UTLNNZBRWZOEOT-UHFFFAOYSA-N 0 0 369.845 2.636 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)/C=C/c3ccc(C(N)=O)o3)cc2)CC1 ZINC000826861098 1016137317 /nfs/dbraw/zinc/13/73/17/1016137317.db2.gz APOWCKZCUABFJT-VQHVLOKHSA-N 0 0 367.449 2.944 20 10 FFCDRN CC(C)(C)OC(=O)NCc1ccc2c(c1)CCCN2CC(=O)NCC1CC1 ZINC000731036180 997636474 /nfs/dbraw/zinc/63/64/74/997636474.db2.gz IIKRKKKJIZDOPS-UHFFFAOYSA-N 0 0 373.497 2.990 20 10 FFCDRN COC/C(C)=C\C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000844335559 997792812 /nfs/dbraw/zinc/79/28/12/997792812.db2.gz RGEPSAQGDRVNML-LCYFTJDESA-N 0 0 372.387 2.751 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)cc1F ZINC000731345755 997845672 /nfs/dbraw/zinc/84/56/72/997845672.db2.gz ILDWBLDRKJGEJC-MRXNPFEDSA-N 0 0 363.477 2.793 20 10 FFCDRN COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1O)[C@@H]1CCC[C@H](OC)C1 ZINC000844447842 997895274 /nfs/dbraw/zinc/89/52/74/997895274.db2.gz WEPKHIFSHVKIHD-ISTRZQFTSA-N 0 0 367.417 2.570 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccc(C(N)=O)cc2F)cc1 ZINC000844548640 997974887 /nfs/dbraw/zinc/97/48/87/997974887.db2.gz TZNPWCACRSWSGP-UHFFFAOYSA-N 0 0 374.416 2.533 20 10 FFCDRN CCC(CC)(CO)CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000128836580 1016177234 /nfs/dbraw/zinc/17/72/34/1016177234.db2.gz WLLUWSJPANXIMQ-INIZCTEOSA-N 0 0 363.502 2.682 20 10 FFCDRN CCOC(=O)[C@@H]1Cc2cccc(F)c2N(C(=O)/C=C(/C)c2cnccn2)C1 ZINC000844639516 998041724 /nfs/dbraw/zinc/04/17/24/998041724.db2.gz BQWLCFUIYDBERD-UZGISAJGSA-N 0 0 369.396 2.788 20 10 FFCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCn3c(CC4CC4)nnc3C2)c1 ZINC000844721450 998094143 /nfs/dbraw/zinc/09/41/43/998094143.db2.gz VIVVNJPEIYALFB-UHFFFAOYSA-N 0 0 356.470 2.955 20 10 FFCDRN COc1ccc(N(C)CCN(C)CN2C(=O)[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000844724634 998096581 /nfs/dbraw/zinc/09/65/81/998096581.db2.gz BNAVPHLQEGRTAT-PMACEKPBSA-N 0 0 357.498 2.668 20 10 FFCDRN COc1ccc(N(C)CCN(C)CN2C(=O)C[C@@H]2c2ccccc2)cc1 ZINC000844726397 998097774 /nfs/dbraw/zinc/09/77/74/998097774.db2.gz UNUNUSZIGBPKDB-HXUWFJFHSA-N 0 0 353.466 2.994 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2sccc2-n2ccnn2)cc1 ZINC000844857489 998170888 /nfs/dbraw/zinc/17/08/88/998170888.db2.gz YMYJJCRGEGYZCX-UHFFFAOYSA-N 0 0 371.466 2.546 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)cc1 ZINC000844852884 998196211 /nfs/dbraw/zinc/19/62/11/998196211.db2.gz VYBXORVVIFNKCK-SJPCQFCGSA-N 0 0 358.482 2.985 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cnn(C)c2C(F)(F)F)cc1 ZINC000844852309 998196571 /nfs/dbraw/zinc/19/65/71/998196571.db2.gz INTDWWNSHZCGJD-UHFFFAOYSA-N 0 0 370.375 2.656 20 10 FFCDRN 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/nfs/dbraw/zinc/65/94/91/1004659491.db2.gz REPWZFCQNIXQGV-JSGCOSHPSA-N 0 0 374.510 2.615 20 10 FFCDRN C[C@H](NC(=O)C(=O)N(C)CCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000807674693 1004659585 /nfs/dbraw/zinc/65/95/85/1004659585.db2.gz PLQQUKHCUYUHHI-HNNXBMFYSA-N 0 0 371.456 2.770 20 10 FFCDRN Cc1cnc([C@H](C)CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000807674824 1004659723 /nfs/dbraw/zinc/65/97/23/1004659723.db2.gz REPWZFCQNIXQGV-TZMCWYRMSA-N 0 0 374.510 2.615 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000808094617 1004751445 /nfs/dbraw/zinc/75/14/45/1004751445.db2.gz AOVPNSHELNVJKD-UHFFFAOYSA-N 0 0 362.422 2.898 20 10 FFCDRN COc1cc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)nn1C ZINC000775907881 1004760340 /nfs/dbraw/zinc/76/03/40/1004760340.db2.gz TYEVZGKLVSQDBN-UHFFFAOYSA-N 0 0 356.382 2.962 20 10 FFCDRN C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)NCC2)c1ccc(N(C)C)cc1 ZINC000775625369 1004851425 /nfs/dbraw/zinc/85/14/25/1004851425.db2.gz XBNGKZRLQQTCBO-CYBMUJFWSA-N 0 0 352.438 2.921 20 10 FFCDRN O=C(c1cncc(OCC2CCOCC2)c1)N1CCc2cccc(O)c2C1 ZINC001199530132 1004966571 /nfs/dbraw/zinc/96/65/71/1004966571.db2.gz OMLBJCZGJRJAGU-UHFFFAOYSA-N 0 0 368.433 2.791 20 10 FFCDRN COc1cnc(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)o1 ZINC001195797138 1005045622 /nfs/dbraw/zinc/04/56/22/1005045622.db2.gz UUHAVVWWGDVQNB-UHFFFAOYSA-N 0 0 371.315 2.544 20 10 FFCDRN CC[C@@H](C)n1nc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1C ZINC000776042841 1005063262 /nfs/dbraw/zinc/06/32/62/1005063262.db2.gz VGTCQVVGTLQLAN-DGCLKSJQSA-N 0 0 374.441 2.693 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(F)cc2F)cc1F ZINC000105536090 1005115907 /nfs/dbraw/zinc/11/59/07/1005115907.db2.gz FPFGWEZJCJUBRI-UHFFFAOYSA-N 0 0 369.318 2.564 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(N3CCC(C)CC3)nc2)c1O ZINC000105649947 1005131196 /nfs/dbraw/zinc/13/11/96/1005131196.db2.gz CXXZPKJZHMOVAT-UHFFFAOYSA-N 0 0 355.438 2.962 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCOCC2(CCCC2)C1 ZINC000776123923 1005141297 /nfs/dbraw/zinc/14/12/97/1005141297.db2.gz SJFQXDXYQOESGA-UHFFFAOYSA-N 0 0 373.497 2.625 20 10 FFCDRN C[C@H](NC(=O)N1CCC[C@H](C(=O)N2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000776238141 1005306012 /nfs/dbraw/zinc/30/60/12/1005306012.db2.gz KYBJEZIJTWOBJN-WMZOPIPTSA-N 0 0 372.513 2.858 20 10 FFCDRN CCN(C(=O)COC(=O)c1cccc(O)c1O)c1nc2ccccc2s1 ZINC000776279380 1005345292 /nfs/dbraw/zinc/34/52/92/1005345292.db2.gz IHCVCOUFXPMANO-UHFFFAOYSA-N 0 0 372.402 2.917 20 10 FFCDRN NC(=O)c1ccc(-c2nc(COC(=O)c3cccc(O)c3O)cs2)cc1 ZINC000776281525 1005346073 /nfs/dbraw/zinc/34/60/73/1005346073.db2.gz GRBMENJOVCPJPP-UHFFFAOYSA-N 0 0 370.386 2.677 20 10 FFCDRN COc1ccc(N2C[C@H]([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])CC2=O)cc1 ZINC000850515760 1005819815 /nfs/dbraw/zinc/81/98/15/1005819815.db2.gz OJHVOEOLOGVKSZ-CHWSQXEVSA-N 0 0 371.393 2.765 20 10 FFCDRN Cc1cc(C(=O)NCC(=O)NC2CCCCC2)c(C)n1-c1ccccn1 ZINC000109472108 1005832581 /nfs/dbraw/zinc/83/25/81/1005832581.db2.gz UNPCLKCUOWRXHK-UHFFFAOYSA-N 0 0 354.454 2.668 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[C@H]1OC ZINC000776524351 1005869885 /nfs/dbraw/zinc/86/98/85/1005869885.db2.gz QIFBSWFODPOUMS-GUDVDZBRSA-N 0 0 363.502 2.865 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)[C@@H]1OC ZINC000776524361 1005870979 /nfs/dbraw/zinc/87/09/79/1005870979.db2.gz QIFBSWFODPOUMS-OTWHNJEPSA-N 0 0 363.502 2.865 20 10 FFCDRN CCOC(=O)c1c(C)n[nH]c1CN[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000851895689 1005920974 /nfs/dbraw/zinc/92/09/74/1005920974.db2.gz FSNQCJBPJAANEU-CQSZACIVSA-N 0 0 372.469 2.582 20 10 FFCDRN COC(=O)C[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000851987600 1005929505 /nfs/dbraw/zinc/92/95/05/1005929505.db2.gz OTDDWXOHPUQNRV-KRWDZBQOSA-N 0 0 359.470 2.675 20 10 FFCDRN C[C@@H](NC(=O)N1CC2(CCC2)OC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000852012989 1005933369 /nfs/dbraw/zinc/93/33/69/1005933369.db2.gz QXAMAPMNZLTFOF-DLBZAZTESA-N 0 0 373.497 2.937 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCOc2ccc(O)cc2C1 ZINC000852138245 1005944661 /nfs/dbraw/zinc/94/46/61/1005944661.db2.gz KZXFNNCGDXYAOJ-UHFFFAOYSA-N 0 0 365.433 2.873 20 10 FFCDRN CCc1cnc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000852155189 1005946190 /nfs/dbraw/zinc/94/61/90/1005946190.db2.gz AJSWWNBWTIHCBY-UHFFFAOYSA-N 0 0 374.510 2.666 20 10 FFCDRN C[C@@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccncc1 ZINC000852172259 1005947447 /nfs/dbraw/zinc/94/74/47/1005947447.db2.gz GYPYXLHEROHIBH-INIZCTEOSA-N 0 0 368.481 2.646 20 10 FFCDRN C[C@H](NC(=O)N[C@H]1Cc2ccccc2N(C)C1=O)c1ccc(N(C)C)cc1 ZINC000852260863 1005958146 /nfs/dbraw/zinc/95/81/46/1005958146.db2.gz FIWHPCRNCAFHGB-KSSFIOAISA-N 0 0 366.465 2.701 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)c3ccncc3OC)C2)cc1 ZINC000852270575 1005959923 /nfs/dbraw/zinc/95/99/23/1005959923.db2.gz IHVCPNMWAZWQOS-LSDHHAIUSA-N 0 0 370.453 2.738 20 10 FFCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(F)c(N2CCCNC2=O)c1 ZINC000813665284 1006007929 /nfs/dbraw/zinc/00/79/29/1006007929.db2.gz GCHWBFHYZAXITQ-CLTKARDFSA-N 0 0 371.368 2.809 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3[C@@H]3CCCO3)C2)cc1 ZINC000852451610 1006032965 /nfs/dbraw/zinc/03/29/65/1006032965.db2.gz OJJBFDZGMXPVMI-IPELMVKDSA-N 0 0 359.470 2.627 20 10 FFCDRN COC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccco1 ZINC000852455054 1006035255 /nfs/dbraw/zinc/03/52/55/1006035255.db2.gz RXYJKKRQGXCUEQ-WMLDXEAASA-N 0 0 359.426 2.554 20 10 FFCDRN CC[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000852454970 1006035961 /nfs/dbraw/zinc/03/59/61/1006035961.db2.gz ROXNTMIDTVJTCV-VQIMIIECSA-N 0 0 361.486 2.778 20 10 FFCDRN CC[C@H](NC(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000852454963 1006036477 /nfs/dbraw/zinc/03/64/77/1006036477.db2.gz ROXNTMIDTVJTCV-APWZRJJASA-N 0 0 361.486 2.778 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCO[C@@](C)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001187371703 1006041109 /nfs/dbraw/zinc/04/11/09/1006041109.db2.gz RPEFRPPYYKOQPS-CSPWOOARSA-N 0 0 374.315 2.939 20 10 FFCDRN CCn1nc(C(=O)NCc2ccc(N(C)C3CCCCC3)cc2)ccc1=O ZINC000110667307 1006062888 /nfs/dbraw/zinc/06/28/88/1006062888.db2.gz LIDFZFIWYQOZRW-UHFFFAOYSA-N 0 0 368.481 2.962 20 10 FFCDRN COc1cccc(CNC(=O)N[C@H](C)c2ccc(-n3ccnn3)cc2)c1O ZINC000128986443 1006080235 /nfs/dbraw/zinc/08/02/35/1006080235.db2.gz FOVFAQADHPYNFV-CYBMUJFWSA-N 0 0 367.409 2.542 20 10 FFCDRN Cc1cc(C(=O)CN2CCC3(COC3)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000852682964 1006135904 /nfs/dbraw/zinc/13/59/04/1006135904.db2.gz DDDYMZJKGHCQMC-UHFFFAOYSA-N 0 0 368.433 2.728 20 10 FFCDRN Cc1cc(CCNC(=O)[C@@H]2CCc3nncn3C2)c(C)n1-c1ccccc1 ZINC000814260154 1006221393 /nfs/dbraw/zinc/22/13/93/1006221393.db2.gz IDAGFNHYROSXIA-GOSISDBHSA-N 0 0 363.465 2.607 20 10 FFCDRN C[C@H](Nc1ccc(-c2ccnn2C)nn1)c1ccc(N2CCOCC2)cc1 ZINC000881847804 1006242864 /nfs/dbraw/zinc/24/28/64/1006242864.db2.gz JYUBMXQPFNMNDR-HNNXBMFYSA-N 0 0 364.453 2.887 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCc2cccc(O)c21 ZINC000814327890 1006247189 /nfs/dbraw/zinc/24/71/89/1006247189.db2.gz UDEKPSGNXJDOCJ-MRXNPFEDSA-N 0 0 370.424 2.714 20 10 FFCDRN CC(C)CCn1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nn1 ZINC000129430781 1006292545 /nfs/dbraw/zinc/29/25/45/1006292545.db2.gz HTKYNSVODAHORQ-QGZVFWFLSA-N 0 0 372.469 2.851 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1cc(=O)[nH]c2cccnc21 ZINC000853096063 1006295797 /nfs/dbraw/zinc/29/57/97/1006295797.db2.gz LXOVEZSYWJODJX-UHFFFAOYSA-N 0 0 350.422 2.808 20 10 FFCDRN COc1ccc(N2CCN(c3cc(=O)[nH]c4cccnc43)CC2)cc1F ZINC000853435273 1006390472 /nfs/dbraw/zinc/39/04/72/1006390472.db2.gz JFBJRMOBYHJSBV-UHFFFAOYSA-N 0 0 354.385 2.810 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)c2ncnc3c2nnn3C)cc1 ZINC000853446102 1006391671 /nfs/dbraw/zinc/39/16/71/1006391671.db2.gz AYFWVSBTUVXDPV-UHFFFAOYSA-N 0 0 363.425 2.624 20 10 FFCDRN CC[C@@](C)(NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1CC1 ZINC000853463060 1006398068 /nfs/dbraw/zinc/39/80/68/1006398068.db2.gz DZSWSZLBSFEVGB-IIBYNOLFSA-N 0 0 372.513 2.766 20 10 FFCDRN CC[C@H](C)N(CC)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000853466093 1006399124 /nfs/dbraw/zinc/39/91/24/1006399124.db2.gz SACFQWODVCTTTN-DOTOQJQBSA-N 0 0 360.502 2.718 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cccc(-n3ccnn3)c2)cc1F ZINC000130001124 1006494556 /nfs/dbraw/zinc/49/45/56/1006494556.db2.gz NPCFMCFTANNJGG-UHFFFAOYSA-N 0 0 354.389 2.794 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2C[C@H](c3ccccc3)CO2)c1 ZINC000853736917 1006519279 /nfs/dbraw/zinc/51/92/79/1006519279.db2.gz SWCFZGKCVQTYKL-WMZOPIPTSA-N 0 0 356.422 2.773 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc(CN3CCOCC3)c2)c1 ZINC000111608303 1006541801 /nfs/dbraw/zinc/54/18/01/1006541801.db2.gz FXOFLNPKRYMRLQ-HNNXBMFYSA-N 0 0 370.449 2.724 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)C2)cc1 ZINC000853818059 1006545063 /nfs/dbraw/zinc/54/50/63/1006545063.db2.gz RWKUSZRVGAAOPH-AWEZNQCLSA-N 0 0 355.394 2.824 20 10 FFCDRN C[C@@H](C(=O)NCc1ccccc1F)N1CCOc2cc(N(C)C)ccc21 ZINC000130412637 1006548331 /nfs/dbraw/zinc/54/83/31/1006548331.db2.gz IPXMVBXYMBTHFM-AWEZNQCLSA-N 0 0 357.429 2.795 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](C)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000130426060 1006550436 /nfs/dbraw/zinc/55/04/36/1006550436.db2.gz KTXHOJIUMYDVSZ-HNNXBMFYSA-N 0 0 369.465 2.665 20 10 FFCDRN COc1ccc(CN(C)C(=O)CN2CCOc3cc(N(C)C)ccc32)cc1 ZINC000130416748 1006550544 /nfs/dbraw/zinc/55/05/44/1006550544.db2.gz CIVFYNFNIJEYCX-UHFFFAOYSA-N 0 0 369.465 2.619 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc2c1CCCN2 ZINC000130455767 1006556342 /nfs/dbraw/zinc/55/63/42/1006556342.db2.gz AFHVTTFLFXHXQB-UHFFFAOYSA-N 0 0 351.450 2.811 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@H](CCO)c3ccco3)CC2)cc1 ZINC000187249007 1006622890 /nfs/dbraw/zinc/62/28/90/1006622890.db2.gz PSFQYIHUZHOMAP-GOSISDBHSA-N 0 0 373.453 2.680 20 10 FFCDRN C[C@@H](NC(=O)NCCC1N=NC(=S)N1C1CC1)c1ccc(N(C)C)cc1 ZINC000854002540 1006624174 /nfs/dbraw/zinc/62/41/74/1006624174.db2.gz BQKSOKNOMUJGMJ-GFCCVEGCSA-N 0 0 374.514 2.571 20 10 FFCDRN CCn1nncc1C(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000815530368 1006676670 /nfs/dbraw/zinc/67/66/70/1006676670.db2.gz 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COc1ccc(N2CCN(C(=O)c3conc3C3CC3)CC2)c(OC)c1 ZINC000870165819 1012230989 /nfs/dbraw/zinc/23/09/89/1012230989.db2.gz NXCWBTLMWNKQPY-UHFFFAOYSA-N 0 0 357.410 2.532 20 10 FFCDRN CCc1ccc(CC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)nc1 ZINC000870165730 1012231196 /nfs/dbraw/zinc/23/11/96/1012231196.db2.gz LEXUHCIISZDBDU-UHFFFAOYSA-N 0 0 369.465 2.553 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3ccco3)CC2)c(OC)c1 ZINC000870166834 1012232364 /nfs/dbraw/zinc/23/23/64/1012232364.db2.gz WCBYGJVYJJZKRQ-HZPDHXFCSA-N 0 0 356.422 2.749 20 10 FFCDRN CCOC1CC(CC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)C1 ZINC000870167668 1012233819 /nfs/dbraw/zinc/23/38/19/1012233819.db2.gz NPIUJXGPSILJNQ-UHFFFAOYSA-N 0 0 362.470 2.558 20 10 FFCDRN CCO[C@H](C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1)[C@@H]1CCOC1 ZINC000870440137 1012376178 /nfs/dbraw/zinc/37/61/78/1012376178.db2.gz HRYSLYKOUWFOLE-FCEWJHQRSA-N 0 0 363.454 2.506 20 10 FFCDRN Cc1ccc(CN2C[C@@]3(F)C(=O)N(C4CCCC4)C[C@@]3(F)C2)c(O)c1 ZINC001275388378 1012411858 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FFCDRN [O-]c1c(C[NH2+][C@H]2CCC[C@@H](n3ncnn3)C2)cc(Cl)c2cccnc12 ZINC001173744911 1012935795 /nfs/dbraw/zinc/93/57/95/1012935795.db2.gz UVQOAEXFVCQRJW-QWHCGFSZSA-N 0 0 358.833 2.854 20 10 FFCDRN C[C@H](O)CN(C(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CC1 ZINC000888583826 1013019783 /nfs/dbraw/zinc/01/97/83/1013019783.db2.gz OPUAYOYYEBMMQE-ZDUSSCGKSA-N 0 0 351.410 2.773 20 10 FFCDRN CCN(C(=O)CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000924638500 1017388843 /nfs/dbraw/zinc/38/88/43/1017388843.db2.gz ZDQWMYMJFTUMMF-AWEZNQCLSA-N 0 0 371.437 2.814 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cnccc2NC(=O)OC(C)(C)C)cc1 ZINC000780206941 1017548522 /nfs/dbraw/zinc/54/85/22/1017548522.db2.gz CZPOQWSOVANBDC-UHFFFAOYSA-N 0 0 370.453 2.847 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)Nc2c[nH]c(C(N)=O)c2)ccc1C ZINC001137456154 1018532061 /nfs/dbraw/zinc/53/20/61/1018532061.db2.gz HEYXFIPYHYLSMZ-UHFFFAOYSA-N 0 0 364.405 2.894 20 10 FFCDRN O=C(C[C@H](c1ncc[nH]1)c1ccccc1)NCCc1ccc(O)c(O)c1 ZINC001137464526 1018610404 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C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc(N4CCCC4)cc3)ncn2)C1 ZINC000840242937 1027016352 /nfs/dbraw/zinc/01/63/52/1027016352.db2.gz FHFVPTGAERLONE-WMZOPIPTSA-N 0 0 367.497 2.896 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840248766 1027019782 /nfs/dbraw/zinc/01/97/82/1027019782.db2.gz SEKBYZKENOJWKV-HNNXBMFYSA-N 0 0 356.470 2.895 20 10 FFCDRN CC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H](O)C(C)C ZINC000840282642 1027032018 /nfs/dbraw/zinc/03/20/18/1027032018.db2.gz CKABFFIMTKCFSA-OALUTQOASA-N 0 0 363.502 2.759 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NC[C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1 ZINC000840283084 1027032316 /nfs/dbraw/zinc/03/23/16/1027032316.db2.gz KJVRVNUHTKXCMP-PMPSAXMXSA-N 0 0 361.486 2.777 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000840419765 1027074908 /nfs/dbraw/zinc/07/49/08/1027074908.db2.gz XVLPQZYHUZZQBQ-XFBWCDHKSA-N 0 0 356.378 2.857 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CCCn1ccnc1 ZINC000840481486 1027089944 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Cc1cc2nc(C(=O)NCc3cc(Cl)c4cccnc4c3O)cn2cn1 ZINC001156435283 1029193146 /nfs/dbraw/zinc/19/31/46/1029193146.db2.gz BXPROAROIUHVFT-UHFFFAOYSA-N 0 0 367.796 2.875 20 10 FFCDRN O=C(NCCN1CCNC(=O)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000781407221 1029194713 /nfs/dbraw/zinc/19/47/13/1029194713.db2.gz WPIDQYGLIBTPEK-UHFFFAOYSA-N 0 0 366.425 2.655 20 10 FFCDRN O=C(NC1(c2ncccn2)CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC001156494901 1029217577 /nfs/dbraw/zinc/21/75/77/1029217577.db2.gz UVXBBRWKJPIQRF-UHFFFAOYSA-N 0 0 371.418 2.538 20 10 FFCDRN Cc1c(C(=O)NCc2c(O)ccc3ccccc32)nnn1Cc1ccncc1 ZINC001157041339 1029449827 /nfs/dbraw/zinc/44/98/27/1029449827.db2.gz DXBAKVVEHBENJB-UHFFFAOYSA-N 0 0 373.416 2.819 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](CC(C)C)N1CCCCC1=O ZINC001157102609 1029467415 /nfs/dbraw/zinc/46/74/15/1029467415.db2.gz NHIUWTUKSSPIBG-HNNXBMFYSA-N 0 0 367.486 2.921 20 10 FFCDRN CSc1nc(Cl)nc(NCCc2cc(O)c(O)cc2O)c1[N+](=O)[O-] ZINC001157245431 1029520551 /nfs/dbraw/zinc/52/05/51/1029520551.db2.gz 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CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCSc2c(F)cccc21 ZINC001323235862 1045513552 /nfs/dbraw/zinc/51/35/52/1045513552.db2.gz QKNAUDULGXLZQH-HNNXBMFYSA-N 0 0 374.437 2.843 20 10 FFCDRN CC[C@H](CC(F)(F)F)NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC001323237914 1045513921 /nfs/dbraw/zinc/51/39/21/1045513921.db2.gz MRESRUIYSFEIGJ-CQSZACIVSA-N 0 0 373.419 2.948 20 10 FFCDRN CCOC(=O)c1ccc2c(c1)N(C(=O)/C=C/c1cnn(C)c1)CCS2 ZINC001321756259 1045789426 /nfs/dbraw/zinc/78/94/26/1045789426.db2.gz UDZJFBUZTQWLRV-QPJJXVBHSA-N 0 0 357.435 2.749 20 10 FFCDRN CCCCC[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)OC ZINC001321804338 1045810571 /nfs/dbraw/zinc/81/05/71/1045810571.db2.gz QHJHGLFERSUTRI-GOSISDBHSA-N 0 0 365.493 2.789 20 10 FFCDRN C[C@@H](CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C1CC1 ZINC001321916862 1045870532 /nfs/dbraw/zinc/87/05/32/1045870532.db2.gz JIDNOKWIPCESFE-AWEZNQCLSA-N 0 0 356.422 2.676 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)O[C@@H]2CCC(=O)NC2=O)c1 ZINC001322568979 1046137137 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CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCSC(C)(C)C1 ZINC001334606719 1049490328 /nfs/dbraw/zinc/49/03/28/1049490328.db2.gz NXUWRLUWMMAPHE-OAHLLOKOSA-N 0 0 364.511 2.921 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)NC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001294941554 1049845898 /nfs/dbraw/zinc/84/58/98/1049845898.db2.gz QOBPKCMKEOUAPC-LYRGGWFBSA-N 0 0 371.441 2.520 20 10 FFCDRN CCOC(=O)C1(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)CCCC1 ZINC001341934389 1050532011 /nfs/dbraw/zinc/53/20/11/1050532011.db2.gz KVEQVVAMMXIEFN-ZDUSSCGKSA-N 0 0 364.442 2.885 20 10 FFCDRN CCn1c([C@@H](O)c2ccccc2OC)nnc1N(C)Cc1ccccc1O ZINC001340408294 1050803340 /nfs/dbraw/zinc/80/33/40/1050803340.db2.gz GVZFXDKERYNFOC-SFHVURJKSA-N 0 0 368.437 2.730 20 10 FFCDRN COC(=O)Cc1csc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001542203940 1071189123 /nfs/dbraw/zinc/18/91/23/1071189123.db2.gz ZLLBJWAHCFGXPR-UHFFFAOYSA-N 0 0 364.404 2.737 20 10 FFCDRN COC[C@H]1[C@@H]2CN(c3nnc(C)n3Cc3ccc(N(C)C)cc3C)CC[C@H]12 ZINC001302321710 1051080607 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FFCDRN CN(Cc1ccccc1O)c1nnc(-c2ccc(=O)[nH]c2)n1CC1CC1 ZINC001345687714 1052576363 /nfs/dbraw/zinc/57/63/63/1052576363.db2.gz SKXLKDTYVPFVBY-UHFFFAOYSA-N 0 0 351.410 2.798 20 10 FFCDRN CC1(O)CC(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC001344099904 1052594728 /nfs/dbraw/zinc/59/47/28/1052594728.db2.gz VCFQLNIZDLUQMI-XYEKJYRLSA-N 0 0 354.397 2.534 20 10 FFCDRN CO[C@H]1CCN(c2nnc(C3SC=CC3=O)n2C[C@H]2CCCCO2)C1 ZINC001345757388 1052602269 /nfs/dbraw/zinc/60/22/69/1052602269.db2.gz HJNZLZMPCCQDST-QWHCGFSZSA-N 0 0 364.471 2.506 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCC[C@@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC001334840846 1053110391 /nfs/dbraw/zinc/11/03/91/1053110391.db2.gz MJLSUOMFRQGSLF-KBPBESRZSA-N 0 0 367.440 2.872 20 10 FFCDRN C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001346568581 1053113615 /nfs/dbraw/zinc/11/36/15/1053113615.db2.gz SFLIBGDWCBCUIF-YJYMSZOUSA-N 0 0 370.424 2.930 20 10 FFCDRN Nc1ccc(CNC(=O)NCc2cccnc2OCC(F)(F)F)cc1 ZINC001346632439 1053170896 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FFCDRN COc1ccc2c(c1)CCCCN2Cc1ccc(OC)c(OCC(N)=O)c1 ZINC001347371849 1053903739 /nfs/dbraw/zinc/90/37/39/1053903739.db2.gz HWONHAQYKVTZSZ-UHFFFAOYSA-N 0 0 370.449 2.911 20 10 FFCDRN COC[C@@H]1CN(c2nnc(C3SC=CC3=O)n2CC(C)C)C[C@H](C)O1 ZINC001347670266 1054210444 /nfs/dbraw/zinc/21/04/44/1054210444.db2.gz WMRAGNPQTCCMMT-STQMWFEESA-N 0 0 366.487 2.608 20 10 FFCDRN Cc1ccc(O)c(CNS(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)c1 ZINC001348156666 1054706972 /nfs/dbraw/zinc/70/69/72/1054706972.db2.gz JAHBIYLFQGFDTG-UHFFFAOYSA-N 0 0 350.396 2.704 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCc2cccc(Cl)c2O)n(C(C)(C)C)n1 ZINC001337386213 1054709348 /nfs/dbraw/zinc/70/93/48/1054709348.db2.gz VKZJCJXNHQTTAC-UHFFFAOYSA-N 0 0 364.833 2.560 20 10 FFCDRN CC(C)[C@H](CO)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001348515996 1054755877 /nfs/dbraw/zinc/75/58/77/1054755877.db2.gz BCTTZTMGMPHCBY-INIZCTEOSA-N 0 0 371.428 2.573 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC001337793975 1055020818 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O=C(NCc1c(O)cccc1F)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001456090561 1060010358 /nfs/dbraw/zinc/01/03/58/1060010358.db2.gz MAVGRHWPUDTQOD-UHFFFAOYSA-N 0 0 359.357 2.970 20 10 FFCDRN Cc1cn2c(ncc(C(=O)NCc3c(O)ccc4ccccc43)c2=O)s1 ZINC001456310320 1060085782 /nfs/dbraw/zinc/08/57/82/1060085782.db2.gz QLHAEYHBFUKFHG-UHFFFAOYSA-N 0 0 365.414 2.853 20 10 FFCDRN CCN(C)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N(CC)CC)cc1 ZINC001547330639 1071943440 /nfs/dbraw/zinc/94/34/40/1071943440.db2.gz BSFNSOSZDNYNFE-KRWDZBQOSA-N 0 0 370.501 2.580 20 10 FFCDRN CC1(C)CCC[C@H](CNC(=O)NCc2ccc(N3CCOCC3)cc2)O1 ZINC001355313524 1060106634 /nfs/dbraw/zinc/10/66/34/1060106634.db2.gz RNLUKCVTJXMFEC-GOSISDBHSA-N 0 0 361.486 2.670 20 10 FFCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1nc(C(F)(F)F)n[nH]1 ZINC001456397853 1060114090 /nfs/dbraw/zinc/11/40/90/1060114090.db2.gz PFBSJIYBNUKHMA-RXMQYKEDSA-N 0 0 372.328 2.940 20 10 FFCDRN CCc1nc(CCn2c(C(C)C)nnc2N(C)Cc2ccccc2O)no1 ZINC001546366509 1060528405 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20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NCc3cccnc3N)cc2)CC1 ZINC001477823549 1061811785 /nfs/dbraw/zinc/81/17/85/1061811785.db2.gz YOOQTRSCFGLCCO-UHFFFAOYSA-N 0 0 353.470 2.900 20 10 FFCDRN COc1ccccc1[C@H](C)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000774825320 1062088033 /nfs/dbraw/zinc/08/80/33/1062088033.db2.gz CGKIEUHGCPXPKK-GJZGRUSLSA-N 0 0 369.465 2.816 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2ncc[nH]2)n1 ZINC001361102577 1062096623 /nfs/dbraw/zinc/09/66/23/1062096623.db2.gz XTJXNLQLECVJFG-UHFFFAOYSA-N 0 0 355.423 2.638 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC[N@H+](C)C[C@@H]3CC(C)C)C2)cc1 ZINC001478957747 1062161901 /nfs/dbraw/zinc/16/19/01/1062161901.db2.gz SDQFOKMBJWLKBJ-HKUYNNGSSA-N 0 0 374.529 2.646 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(C(C)(C)C)n3ncnc3n2)cc1 ZINC001463768510 1062251978 /nfs/dbraw/zinc/25/19/78/1062251978.db2.gz RHNXPPTVTZEMMN-UHFFFAOYSA-N 0 0 366.469 2.760 20 10 FFCDRN CC(=O)Nc1ccc(S(=O)(=O)NCc2cc(C)ccc2O)cc1Cl ZINC001464106853 1062428198 /nfs/dbraw/zinc/42/81/98/1062428198.db2.gz AQXKPUMLOBEWIC-UHFFFAOYSA-N 0 0 368.842 2.791 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1coc(=O)c2ccccc12 ZINC001435287006 1062437051 /nfs/dbraw/zinc/43/70/51/1062437051.db2.gz NMGRXYBOTBIKGJ-UHFFFAOYSA-N 0 0 350.374 2.898 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC001523554399 1062517041 /nfs/dbraw/zinc/51/70/41/1062517041.db2.gz UMVSSOPZLDAOQB-UHFFFAOYSA-N 0 0 363.461 2.983 20 10 FFCDRN CCOc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1OCC ZINC001464330028 1062551657 /nfs/dbraw/zinc/55/16/57/1062551657.db2.gz VKHXUMKBKFQEPU-UHFFFAOYSA-N 0 0 363.435 2.894 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(OC)cc3C)C2)cc1 ZINC001437575419 1062883822 /nfs/dbraw/zinc/88/38/22/1062883822.db2.gz HBGGGXDXSBPLQS-KRWDZBQOSA-N 0 0 354.450 2.950 20 10 FFCDRN COCCCCN(C)c1nnc(C2SC=CC2=O)n1C[C@H]1CCCO1 ZINC001525097288 1063143366 /nfs/dbraw/zinc/14/33/66/1063143366.db2.gz CGPPXZCFGLPHHA-CYBMUJFWSA-N 0 0 366.487 2.754 20 10 FFCDRN Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001440642130 1063324286 /nfs/dbraw/zinc/32/42/86/1063324286.db2.gz YJOYQEBIYCPMRO-UHFFFAOYSA-N 0 0 351.406 2.759 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(F)ccc1Br ZINC001466790089 1063558709 /nfs/dbraw/zinc/55/87/09/1063558709.db2.gz BPAPHIBGBCBUSQ-MRVPVSSYSA-N 0 0 369.190 2.755 20 10 FFCDRN CC(C)C[C@H](CO)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466895342 1063588209 /nfs/dbraw/zinc/58/82/09/1063588209.db2.gz PJCKNMNODAPFJI-CQSZACIVSA-N 0 0 353.426 2.925 20 10 FFCDRN COc1ccc(CNC(=O)c2ccn(CCc3ccccc3)n2)c(O)c1 ZINC001467471378 1063755305 /nfs/dbraw/zinc/75/53/05/1063755305.db2.gz DLJBLOHJEGAPFI-UHFFFAOYSA-N 0 0 351.406 2.770 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1nc2ccccc2c(=O)[nH]1 ZINC001467839800 1063864391 /nfs/dbraw/zinc/86/43/91/1063864391.db2.gz DZLBHKXSSLTAAC-UHFFFAOYSA-N 0 0 372.421 2.776 20 10 FFCDRN CO[C@@](C)(CO)CNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001468338385 1063969732 /nfs/dbraw/zinc/96/97/32/1063969732.db2.gz NYMMLYPRFOYCGQ-HXUWFJFHSA-N 0 0 363.502 2.652 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@]2(OC)CCSC2)cc1F ZINC001468728750 1064028258 /nfs/dbraw/zinc/02/82/58/1064028258.db2.gz MXMMCSWKLCHZQT-GOSISDBHSA-N 0 0 369.506 2.993 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCc2nnnn2CC1 ZINC001469122756 1064094493 /nfs/dbraw/zinc/09/44/93/1064094493.db2.gz MYYJTSNVAWAIAJ-INIZCTEOSA-N 0 0 364.453 2.524 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC001469250775 1064117711 /nfs/dbraw/zinc/11/77/11/1064117711.db2.gz UDKCADLRDILOTP-WOJBJXKFSA-N 0 0 364.401 2.713 20 10 FFCDRN C[C@@H](Oc1cccc(CO)c1)C(=O)NCc1ccc2cccnc2c1O ZINC001469251503 1064117779 /nfs/dbraw/zinc/11/77/79/1064117779.db2.gz XNSYZUNURCRIME-CYBMUJFWSA-N 0 0 352.390 2.516 20 10 FFCDRN COC[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(OC)c1 ZINC001469898083 1064225578 /nfs/dbraw/zinc/22/55/78/1064225578.db2.gz LJVKIUWZUDCLFG-INIZCTEOSA-N 0 0 356.382 2.975 20 10 FFCDRN Cc1cc(CNC(=O)NC[C@]2(O)CCSC2)c(C)n1-c1ccccc1 ZINC001471038240 1064533402 /nfs/dbraw/zinc/53/34/02/1064533402.db2.gz YQSXOFNWJRQVDX-LJQANCHMSA-N 0 0 359.495 2.761 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCC[C@@H]3CC[C@H]4C[C@H]43)CC2)c(OC)c1 ZINC001471362111 1064654692 /nfs/dbraw/zinc/65/46/92/1064654692.db2.gz ZIOHYEGDZVSJAC-BQFCYCMXSA-N 0 0 373.497 2.972 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1cnc(-c2ccc3c(c2)OCO3)s1 ZINC001471642455 1064743362 /nfs/dbraw/zinc/74/33/62/1064743362.db2.gz UYYKYWKVZPDSLA-UHFFFAOYSA-N 0 0 370.386 2.880 20 10 FFCDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2cccc(O)c2O)cn1 ZINC001471642674 1064743679 /nfs/dbraw/zinc/74/36/79/1064743679.db2.gz XLJQOKNFEHWIJT-UHFFFAOYSA-N 0 0 359.382 2.770 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1ccccc1[S@@](=O)C(F)(F)F ZINC001471662287 1064751570 /nfs/dbraw/zinc/75/15/70/1064751570.db2.gz XOQDVJSPXMTSDG-XMMPIXPASA-N 0 0 359.325 2.655 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(Oc2ccc(Cl)cn2)CC1 ZINC001471711113 1064766552 /nfs/dbraw/zinc/76/65/52/1064766552.db2.gz HRTDDEFSSOUQRM-UHFFFAOYSA-N 0 0 362.813 2.759 20 10 FFCDRN CCc1c(C(=O)NCc2c(O)cccc2F)nnn1Cc1ccc(F)cc1 ZINC001471975751 1064875815 /nfs/dbraw/zinc/87/58/15/1064875815.db2.gz GACRXSDDYACCKS-UHFFFAOYSA-N 0 0 372.375 2.803 20 10 FFCDRN COC(=O)[C@@H]1CC[C@@H]1NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001472001319 1064885545 /nfs/dbraw/zinc/88/55/45/1064885545.db2.gz WTMDSRNWPWYVKN-WBVHZDCISA-N 0 0 370.449 2.597 20 10 FFCDRN COC1CCN(c2ccc(CN3[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]3C)cc2)CC1 ZINC001473588967 1065290701 /nfs/dbraw/zinc/29/07/01/1065290701.db2.gz MFWAXYNIKGWTFX-YESZJQIVSA-N 0 0 359.514 2.741 20 10 FFCDRN O=C1C[C@]2([NH2+]Cc3cc(Br)cc(F)c3[O-])CCCC[C@@H]2N1 ZINC001474295437 1065486851 /nfs/dbraw/zinc/48/68/51/1065486851.db2.gz VDOFWGTWVJLRND-SWLSCSKDSA-N 0 0 357.223 2.585 20 10 FFCDRN CN1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CC1=O ZINC001474354855 1065500940 /nfs/dbraw/zinc/50/09/40/1065500940.db2.gz FHJNPIXDMLPBSF-UHFFFAOYSA-N 0 0 366.303 2.713 20 10 FFCDRN CCCN(Cc1cc(F)c(N(C)C)cc1F)[C@H](COC)C(=O)OCC ZINC001474442195 1065523914 /nfs/dbraw/zinc/52/39/14/1065523914.db2.gz ITKZSPNNTPEQBO-QGZVFWFLSA-N 0 0 358.429 2.821 20 10 FFCDRN COC(=O)c1ccc2c(c1)CCN2Cc1ccc(N2CCC(O)CC2)cc1 ZINC001474463503 1065529651 /nfs/dbraw/zinc/52/96/51/1065529651.db2.gz QRSZGICYELGCRP-UHFFFAOYSA-N 0 0 366.461 2.997 20 10 FFCDRN C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001474473161 1065530670 /nfs/dbraw/zinc/53/06/70/1065530670.db2.gz ZTWFHZXKVDYBJD-LBPRGKRZSA-N 0 0 370.421 2.517 20 10 FFCDRN CN(CC(=O)NCc1ccccc1)Cc1c(O)cccc1Br ZINC001474588833 1065557963 /nfs/dbraw/zinc/55/79/63/1065557963.db2.gz MZACQPYWGFIQII-UHFFFAOYSA-N 0 0 363.255 2.903 20 10 FFCDRN COC(=O)[C@]1(NC(=O)Cc2ccc(N)cc2)CC[C@@H](C)c2ccccc21 ZINC001578780962 1078528788 /nfs/dbraw/zinc/52/87/88/1078528788.db2.gz KQQKLFKVBDXIDH-SZNDQCEHSA-N 0 0 352.434 2.893 20 10 FFCDRN COc1ncccc1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001579326084 1078617936 /nfs/dbraw/zinc/61/79/36/1078617936.db2.gz SPUWFOUBNNPAGU-UHFFFAOYSA-N 0 0 354.435 2.650 20 10 FFCDRN Oc1c(CNc2ncc(-c3nn[nH]n3)cc2Cl)ccc2cccnc21 ZINC001582814276 1079112624 /nfs/dbraw/zinc/11/26/24/1079112624.db2.gz CJGIHCXMFDUKIN-UHFFFAOYSA-N 0 0 353.773 2.781 20 10 FFCDRN Cc1cc(CC(=O)N2CN(C)C(=O)[C@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001583590643 1079237600 /nfs/dbraw/zinc/23/76/00/1079237600.db2.gz FHGCUPFKXHLUSC-CQSZACIVSA-N 0 0 359.857 2.937 20 10 FFCDRN Cc1cc(C=O)c(O)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC001583677121 1079248826 /nfs/dbraw/zinc/24/88/26/1079248826.db2.gz UPZXUNBDDVGOBU-HNNXBMFYSA-N 0 0 368.433 2.841 20 10 FFCDRN C[C@H](NC(=O)c1n[nH]c2c1C[C@H](C)CC2)c1ccc(N2CCOCC2)cc1 ZINC001583676487 1079248965 /nfs/dbraw/zinc/24/89/65/1079248965.db2.gz NVVSIRKKLWSXCD-CABCVRRESA-N 0 0 368.481 2.862 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2cn(C)nc2C(N)=O)c1 ZINC001583793170 1079266026 /nfs/dbraw/zinc/26/60/26/1079266026.db2.gz LUBDBTBFBOMKLN-UHFFFAOYSA-N 0 0 371.828 2.832 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1c[nH]c(=O)c(Br)c1 ZINC001583820480 1079269909 /nfs/dbraw/zinc/26/99/09/1079269909.db2.gz CQPFXYCJQFFYCC-UHFFFAOYSA-N 0 0 357.591 2.839 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ncc4ccccc4c3O)C2)cc1 ZINC001584228913 1079325055 /nfs/dbraw/zinc/32/50/55/1079325055.db2.gz ASBDOVITERLSHY-OAHLLOKOSA-N 0 0 363.417 2.958 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CC[C@@H]1COCCO1 ZINC001554174792 1075609020 /nfs/dbraw/zinc/60/90/20/1075609020.db2.gz CKCFVSRKVWKENH-QGZVFWFLSA-N 0 0 372.469 2.693 20 10 FFCDRN O=C(N[C@H](CO)Cc1ccc(F)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001556450774 1075741627 /nfs/dbraw/zinc/74/16/27/1075741627.db2.gz RWQSSNRMOFMCBJ-ZDUSSCGKSA-N 0 0 361.394 2.785 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001557387872 1075844725 /nfs/dbraw/zinc/84/47/25/1075844725.db2.gz YUFKACGKYAIQDI-AWEZNQCLSA-N 0 0 365.838 2.623 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H](O)c1ccncc1 ZINC001557776002 1075888184 /nfs/dbraw/zinc/88/81/84/1075888184.db2.gz HETOGQATCAVUET-HXUWFJFHSA-N 0 0 363.417 2.765 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1cnn(Cc2ccccc2)c1Cl ZINC001558161700 1075953030 /nfs/dbraw/zinc/95/30/30/1075953030.db2.gz QWGQKAKAFBQZMP-UHFFFAOYSA-N 0 0 357.797 2.926 20 10 FFCDRN COc1ccc(C(=O)NCc2cc(O)ccc2O)cc1Br ZINC001558174987 1075956632 /nfs/dbraw/zinc/95/66/32/1075956632.db2.gz WVCBRWCTGDPMDS-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](CO)C[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 ZINC001558387877 1075995685 /nfs/dbraw/zinc/99/56/85/1075995685.db2.gz MXHAXJLCOFERNL-AEFFLSMTSA-N 0 0 360.429 2.893 20 10 FFCDRN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC(=O)[C@@H]2C)C1 ZINC001558649402 1076048467 /nfs/dbraw/zinc/04/84/67/1076048467.db2.gz IUNPPAHJRBEBGB-INIZCTEOSA-N 0 0 367.493 2.988 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cnc2c(c1)CNC2=O ZINC001558762267 1076071724 /nfs/dbraw/zinc/07/17/24/1076071724.db2.gz MJYMQSHVEZSAKY-UHFFFAOYSA-N 0 0 374.400 2.797 20 10 FFCDRN COc1cncn(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)c1=O ZINC001559450310 1076161727 /nfs/dbraw/zinc/16/17/27/1076161727.db2.gz OZOTUXJTHDFCQD-UHFFFAOYSA-N 0 0 351.406 2.851 20 10 FFCDRN c1nn(CCN2CCOCC2)cc1NCc1ccc(N2CCCCC2)cc1 ZINC001560398720 1076270832 /nfs/dbraw/zinc/27/08/32/1076270832.db2.gz HPWVHDWQGPACTA-UHFFFAOYSA-N 0 0 369.513 2.818 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC001560463833 1076275344 /nfs/dbraw/zinc/27/53/44/1076275344.db2.gz HKJHANPRRMWKIC-UHFFFAOYSA-N 0 0 364.449 2.656 20 10 FFCDRN CCn1cnc(Cl)c1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001560499873 1076276352 /nfs/dbraw/zinc/27/63/52/1076276352.db2.gz SYIQMYRZHLAYIZ-UHFFFAOYSA-N 0 0 370.831 2.961 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)C[C@H]2CCC3(CCC3)O2)cc1 ZINC001561081713 1076329783 /nfs/dbraw/zinc/32/97/83/1076329783.db2.gz MVYYREQTSPMQPV-QGZVFWFLSA-N 0 0 352.500 2.616 20 10 FFCDRN Cc1ccc(O)c(CNS(=O)(=O)c2cc3nc(Cl)ncc3s2)c1 ZINC001561765418 1076419317 /nfs/dbraw/zinc/41/93/17/1076419317.db2.gz FOSWJCZBOMWTRP-UHFFFAOYSA-N 0 0 369.855 2.837 20 10 FFCDRN CC[C@H]1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@H]1C ZINC001563810560 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COc1ccccc1NC(=O)C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000237127111 509577789 /nfs/dbraw/zinc/57/77/89/509577789.db2.gz UFFZJKZSQRHKSZ-UHFFFAOYSA-N 0 0 367.449 2.697 20 10 FFCDRN Cc1ccc2nc(CNCc3ccc(N4CCOCC4)c(F)c3)cn2c1 ZINC000264530939 509583986 /nfs/dbraw/zinc/58/39/86/509583986.db2.gz IPBUPVXCIXIOBQ-UHFFFAOYSA-N 0 0 354.429 2.908 20 10 FFCDRN Cc1cc(C(=O)N2CCC(NC(=O)C3CC3)CC2)c(C)n1-c1ccccn1 ZINC000192792545 509647064 /nfs/dbraw/zinc/64/70/64/509647064.db2.gz ZBWFSVPXJYIVMU-UHFFFAOYSA-N 0 0 366.465 2.620 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCCO3)cc2F)C[C@@H](C)O1 ZINC000267924570 509672226 /nfs/dbraw/zinc/67/22/26/509672226.db2.gz BJMLWVOMUXTSOU-LPMFXHHGSA-N 0 0 350.434 2.625 20 10 FFCDRN COc1cccc2[nH]cc(CC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c21 ZINC000186382404 509681170 /nfs/dbraw/zinc/68/11/70/509681170.db2.gz OIACHUFTSPMMMC-LBPRGKRZSA-N 0 0 354.406 2.878 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc4[nH]ncc43)CC2)cc1F ZINC000267964151 509691138 /nfs/dbraw/zinc/69/11/38/509691138.db2.gz 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509814088 /nfs/dbraw/zinc/81/40/88/509814088.db2.gz LCZACERDZJBKBE-UHFFFAOYSA-N 0 0 358.417 2.850 20 10 FFCDRN Nc1ccc(CC(=O)N2CCC(C(=O)N3CCc4ccccc43)CC2)cc1 ZINC000238069641 509815069 /nfs/dbraw/zinc/81/50/69/509815069.db2.gz VUJOUWMRJMLBMO-UHFFFAOYSA-N 0 0 363.461 2.639 20 10 FFCDRN Nc1ccc(CCNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000238076980 509816442 /nfs/dbraw/zinc/81/64/42/509816442.db2.gz VPHSZBZFMXKJHP-UHFFFAOYSA-N 0 0 364.449 2.985 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCc1ccc2c(c1)CC(=O)N2 ZINC000183487883 509821296 /nfs/dbraw/zinc/82/12/96/509821296.db2.gz CWNSKPLCGURKDL-CYBMUJFWSA-N 0 0 368.433 2.663 20 10 FFCDRN CCN(Cc1cc(Br)cc(C)c1O)[C@@H](C)CS(C)(=O)=O ZINC000180243905 509830560 /nfs/dbraw/zinc/83/05/60/509830560.db2.gz JFVKKRPNUSKMMI-NSHDSACASA-N 0 0 364.305 2.718 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC1CCSCC1 ZINC000265114909 509868185 /nfs/dbraw/zinc/86/81/85/509868185.db2.gz XTEPBHPYRYSIFE-UHFFFAOYSA-N 0 0 363.527 2.808 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000265119850 509870923 /nfs/dbraw/zinc/87/09/23/509870923.db2.gz CHXUYVSPFRBAOQ-QZTJIDSGSA-N 0 0 374.529 2.931 20 10 FFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(N(C)C)cc3)c2)CC1 ZINC000190137508 509961759 /nfs/dbraw/zinc/96/17/59/509961759.db2.gz CVMSVFYGNZPDDH-UHFFFAOYSA-N 0 0 366.465 2.673 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000177256836 509962522 /nfs/dbraw/zinc/96/25/22/509962522.db2.gz AXCJLXTXZNGVDO-UHFFFAOYSA-N 0 0 362.445 2.958 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(c2nnc3ccccn32)CC1 ZINC000180603350 510009638 /nfs/dbraw/zinc/00/96/38/510009638.db2.gz LAJJWJSNRULWNU-FNORWQNLSA-N 0 0 364.405 2.560 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nnc2n1CCCC2 ZINC000265406626 510035644 /nfs/dbraw/zinc/03/56/44/510035644.db2.gz CEMZEHYBDNGPHW-UHFFFAOYSA-N 0 0 370.501 2.801 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(CCN2CCOCC2)cc1 ZINC000180689321 510056181 /nfs/dbraw/zinc/05/61/81/510056181.db2.gz 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FFCDRN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCCc1ccc(O)c(O)c1 ZINC000269222905 510298800 /nfs/dbraw/zinc/29/88/00/510298800.db2.gz RGKCGARYSZRIIE-AWEZNQCLSA-N 0 0 364.442 2.546 20 10 FFCDRN Nc1ccc(CC(=O)N2CCC(C(=O)Nc3cccc(F)c3)CC2)cc1 ZINC000269233583 510302350 /nfs/dbraw/zinc/30/23/50/510302350.db2.gz SJWJZQZQWMBURW-UHFFFAOYSA-N 0 0 355.413 2.828 20 10 FFCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000269242667 510304692 /nfs/dbraw/zinc/30/46/92/510304692.db2.gz BXMDSMZDVIIAHL-HNNXBMFYSA-N 0 0 370.472 2.580 20 10 FFCDRN C[C@@](O)(CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000177926108 510329915 /nfs/dbraw/zinc/32/99/15/510329915.db2.gz VUEHXZMYZNFRBU-WWPOYFSUSA-N 0 0 372.490 2.622 20 10 FFCDRN C[C@](O)(CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccsc1 ZINC000177926121 510330001 /nfs/dbraw/zinc/33/00/01/510330001.db2.gz VUEHXZMYZNFRBU-PDGUBNMISA-N 0 0 372.490 2.622 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187800931 510444258 /nfs/dbraw/zinc/44/42/58/510444258.db2.gz PJZUSPOQENYBDL-KCJUWKMLSA-N 0 0 352.303 2.874 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(Cc3cc(C)no3)CC2)c1O ZINC000184676197 510454738 /nfs/dbraw/zinc/45/47/38/510454738.db2.gz BWMHYDXYVKQWOW-UHFFFAOYSA-N 0 0 351.834 2.668 20 10 FFCDRN CC(C)n1cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000266191660 510455347 /nfs/dbraw/zinc/45/53/47/510455347.db2.gz IJHBYTXPKZUEMH-UHFFFAOYSA-N 0 0 362.499 2.883 20 10 FFCDRN COc1cc(N(C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000269675053 510506494 /nfs/dbraw/zinc/50/64/94/510506494.db2.gz WFZZKMVOQBIVMQ-OAHLLOKOSA-N 0 0 362.382 2.790 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)c(F)c1[O-] ZINC000191196231 510544880 /nfs/dbraw/zinc/54/48/80/510544880.db2.gz LXKMGKCXFXKVNJ-LLVKDONJSA-N 0 0 370.421 2.772 20 10 FFCDRN CCOC(=O)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)nc1C ZINC000266374030 510547252 /nfs/dbraw/zinc/54/72/52/510547252.db2.gz VMLGPXOMPWUDRG-UHFFFAOYSA-N 0 0 369.421 2.672 20 10 FFCDRN CC(C)(C)C1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000172130984 510559499 /nfs/dbraw/zinc/55/94/99/510559499.db2.gz SLOGICFMVXUPRW-UHFFFAOYSA-N 0 0 354.472 2.662 20 10 FFCDRN CN(C)C(=O)C1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000172144312 510566564 /nfs/dbraw/zinc/56/65/64/510566564.db2.gz ZGVKZAHUGUQTON-UHFFFAOYSA-N 0 0 372.513 2.735 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000184927678 510589599 /nfs/dbraw/zinc/58/95/99/510589599.db2.gz HJPKWZGKYISGPQ-IBGZPJMESA-N 0 0 369.465 2.978 20 10 FFCDRN CN(C)c1ccc(/N=N\c2ccccc2C(=O)N2CCNC(=O)C2)cc1 ZINC000178457916 510614413 /nfs/dbraw/zinc/61/44/13/510614413.db2.gz DLOCVUCHGGENBF-DQRAZIAOSA-N 0 0 351.410 2.740 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](c2nccn2C)c2cccc(F)c2)c(O)c1O ZINC000181829719 510616428 /nfs/dbraw/zinc/61/64/28/510616428.db2.gz OVFPCFBITVPRLI-HNNXBMFYSA-N 0 0 355.369 2.798 20 10 FFCDRN CCSCC[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000266612687 510687627 /nfs/dbraw/zinc/68/76/27/510687627.db2.gz 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/nfs/dbraw/zinc/92/01/88/510920188.db2.gz RRAVBAQHECQOCP-UHFFFAOYSA-N 0 0 368.437 2.834 20 10 FFCDRN Cc1noc([C@@H]2CCCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000285476310 510921927 /nfs/dbraw/zinc/92/19/27/510921927.db2.gz BDCJSJXKGGCROG-SFHVURJKSA-N 0 0 371.485 2.630 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3cc(C)c([N+](=O)[O-])cn3)cc2)CC1 ZINC000276375492 510935229 /nfs/dbraw/zinc/93/52/29/510935229.db2.gz YCPXOQMGDCWZIP-UHFFFAOYSA-N 0 0 369.425 2.579 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@@H]2c2cc[nH]n2)cc1 ZINC000285507807 510935895 /nfs/dbraw/zinc/93/58/95/510935895.db2.gz YBABGYXHZLNONL-LJQANCHMSA-N 0 0 355.486 2.661 20 10 FFCDRN COc1ccc(OC)c([C@H]2C[C@H]2C(=O)NCc2cccc(OC)c2O)c1 ZINC000276435955 510939300 /nfs/dbraw/zinc/93/93/00/510939300.db2.gz GNJIYRVAXSFDNI-GDBMZVCRSA-N 0 0 357.406 2.838 20 10 FFCDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000276529425 510940830 /nfs/dbraw/zinc/94/08/30/510940830.db2.gz KXXIVWWDZXKHHH-ISTRZQFTSA-N 0 0 371.433 2.966 20 10 FFCDRN C[C@H]1C(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)N1C ZINC000277282157 510958446 /nfs/dbraw/zinc/95/84/46/510958446.db2.gz SYQDMTVVOWZHLE-AAEUAGOBSA-N 0 0 353.369 2.539 20 10 FFCDRN O=C([O-])[C@@H](Cc1ccc2c(c1)OCCCO2)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277332689 510960169 /nfs/dbraw/zinc/96/01/69/510960169.db2.gz OJBJVWCWPPYMLR-QGZVFWFLSA-N 0 0 369.417 2.568 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000277414058 510961828 /nfs/dbraw/zinc/96/18/28/510961828.db2.gz KQFGYBIOXCLCGA-TZMCWYRMSA-N 0 0 369.259 2.912 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1noc2c1CCCC2 ZINC000277567565 510966001 /nfs/dbraw/zinc/96/60/01/510966001.db2.gz QEGMRNZOVPCLSR-UHFFFAOYSA-N 0 0 351.200 2.952 20 10 FFCDRN O=C1/C(=C\c2ccc3occc3c2)SC(=S)N1CCN1CCOCC1 ZINC000285605561 510974583 /nfs/dbraw/zinc/97/45/83/510974583.db2.gz USEDXBBPSDKCLQ-FOWTUZBSSA-N 0 0 374.487 2.966 20 10 FFCDRN C[C@H](c1cccs1)N(C)C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000285608310 510975908 /nfs/dbraw/zinc/97/59/08/510975908.db2.gz CEKQWQPXOQXCFJ-CQSZACIVSA-N 0 0 371.506 2.966 20 10 FFCDRN COC[C@@H](C)OC[C@H](O)CN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000278215607 510985471 /nfs/dbraw/zinc/98/54/71/510985471.db2.gz DKSYCMRVFUCVFG-GDBMZVCRSA-N 0 0 367.417 2.846 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278309744 510988423 /nfs/dbraw/zinc/98/84/23/510988423.db2.gz DVOHRAGTLPDWOI-RDJZCZTQSA-N 0 0 357.410 2.844 20 10 FFCDRN COc1c(O)c(CN2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278323760 510989756 /nfs/dbraw/zinc/98/97/56/510989756.db2.gz YOOJGGAPUQIUCE-ZDUSSCGKSA-N 0 0 350.396 2.944 20 10 FFCDRN COc1ccc(O)c([C@H](C)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1 ZINC000278466113 510993800 /nfs/dbraw/zinc/99/38/00/510993800.db2.gz NFSLRLRWTXPSPB-ZDUSSCGKSA-N 0 0 368.441 2.747 20 10 FFCDRN C[C@H]1CN(C(=O)/C=C/c2cnc3ccccc3n2)c2ccccc2C(=O)N1 ZINC000361146119 511001205 /nfs/dbraw/zinc/00/12/05/511001205.db2.gz WQPDIEQFPGJKMA-VNDWYCCKSA-N 0 0 358.401 2.808 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278629482 511001954 /nfs/dbraw/zinc/00/19/54/511001954.db2.gz GQFZRKSGRPFCEY-INIZCTEOSA-N 0 0 357.410 2.673 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H](S(C)(=O)=O)C1 ZINC000282512908 511007828 /nfs/dbraw/zinc/00/78/28/511007828.db2.gz OBQFRNCUEIBKGW-INIZCTEOSA-N 0 0 360.479 2.662 20 10 FFCDRN COC(=O)CCNC(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000278787181 511007856 /nfs/dbraw/zinc/00/78/56/511007856.db2.gz WHIFITVKZAIMLL-UHFFFAOYSA-N 0 0 373.428 2.797 20 10 FFCDRN COc1cccc(N2CC[C@H]([NH2+]Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)c1 ZINC000278950437 511014341 /nfs/dbraw/zinc/01/43/41/511014341.db2.gz ZLMIJVCRPOTTNO-AWEZNQCLSA-N 0 0 373.409 2.686 20 10 FFCDRN C[C@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000285850172 511015524 /nfs/dbraw/zinc/01/55/24/511015524.db2.gz ZCPFPAWGUKRPPT-CABZTGNLSA-N 0 0 354.319 2.584 20 10 FFCDRN COCCCOc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000285953650 511016583 /nfs/dbraw/zinc/01/65/83/511016583.db2.gz NTAKMKNOGWHYCG-UXBLZVDNSA-N 0 0 357.406 2.843 20 10 FFCDRN CC[C@@H]([NH2+]Cc1cccc(S(=O)(=O)NC)c1)c1ccc(F)cc1[O-] ZINC000286000329 511017830 /nfs/dbraw/zinc/01/78/30/511017830.db2.gz IQGDPKGQNPHCJM-MRXNPFEDSA-N 0 0 352.431 2.680 20 10 FFCDRN COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1OC ZINC000286164394 511020092 /nfs/dbraw/zinc/02/00/92/511020092.db2.gz ZIVHKTLWPFZMRM-UHFFFAOYSA-N 0 0 370.449 2.779 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC2(CCOCC2)O1 ZINC000279266395 511023219 /nfs/dbraw/zinc/02/32/19/511023219.db2.gz JYEXZQGSPQPBIX-INIZCTEOSA-N 0 0 373.497 2.549 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)CCS(=O)(=O)CC(C)C ZINC000282551906 511023347 /nfs/dbraw/zinc/02/33/47/511023347.db2.gz SOHMKXAFOGTYLH-UHFFFAOYSA-N 0 0 355.500 2.982 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)c(C)n1-c1ccccn1 ZINC000286480919 511026283 /nfs/dbraw/zinc/02/62/83/511026283.db2.gz HNCRTSBAGKSSQI-VQIMIIECSA-N 0 0 368.481 2.912 20 10 FFCDRN CN(Cc1nncn1C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000287199394 511043749 /nfs/dbraw/zinc/04/37/49/511043749.db2.gz LQDPEIPXCJMOSO-UHFFFAOYSA-N 0 0 370.501 2.926 20 10 FFCDRN Cc1cc2c(cc1C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1O)CC2 ZINC000287183306 511044084 /nfs/dbraw/zinc/04/40/84/511044084.db2.gz ZQZMEQQIBXDUJE-UHFFFAOYSA-N 0 0 360.435 2.583 20 10 FFCDRN COCCc1ccnc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000287327133 511047078 /nfs/dbraw/zinc/04/70/78/511047078.db2.gz MFOKWYBYBRXTJN-UHFFFAOYSA-N 0 0 356.426 2.767 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC(C)(C)c2cccs2)cc1 ZINC000287400200 511048285 /nfs/dbraw/zinc/04/82/85/511048285.db2.gz CLKUEIFXBFXUAH-UHFFFAOYSA-N 0 0 373.522 2.867 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCOC[C@H]3CC(F)F)ccc21 ZINC000287411883 511048461 /nfs/dbraw/zinc/04/84/61/511048461.db2.gz FGTKJDIOOLHVMP-OAHLLOKOSA-N 0 0 353.413 2.635 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1 ZINC000287941442 511060087 /nfs/dbraw/zinc/06/00/87/511060087.db2.gz HQKHGBSBUCKSJZ-DOTOQJQBSA-N 0 0 374.481 2.737 20 10 FFCDRN CN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCCCC1 ZINC000288663669 511083175 /nfs/dbraw/zinc/08/31/75/511083175.db2.gz VSHIGCBYENZBOE-UHFFFAOYSA-N 0 0 355.482 2.860 20 10 FFCDRN COc1cccc(CNc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c1O ZINC000288646821 511083181 /nfs/dbraw/zinc/08/31/81/511083181.db2.gz UTSKWDUDXZYGDF-GFCCVEGCSA-N 0 0 355.394 2.766 20 10 FFCDRN Nc1ccc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1 ZINC000361734926 511086453 /nfs/dbraw/zinc/08/64/53/511086453.db2.gz UAAZSRIEHOFESR-CQSZACIVSA-N 0 0 365.480 2.512 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCc2ccc(C(N)=O)cc2)cc1 ZINC000294515295 511090262 /nfs/dbraw/zinc/09/02/62/511090262.db2.gz QAKXPUGQVUGEFY-UHFFFAOYSA-N 0 0 353.466 2.881 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccccc1C(N)=O ZINC000279468338 511093598 /nfs/dbraw/zinc/09/35/98/511093598.db2.gz HIBBHTYEWPURPA-UHFFFAOYSA-N 0 0 353.466 2.833 20 10 FFCDRN CCc1noc(C)c1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000297886702 511099837 /nfs/dbraw/zinc/09/98/37/511099837.db2.gz WELMYLOYKUOUCU-UHFFFAOYSA-N 0 0 372.469 2.724 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1CCCC(=O)N1 ZINC000289608353 511106721 /nfs/dbraw/zinc/10/67/21/511106721.db2.gz LBLJLOSWBKRQHS-ZDUSSCGKSA-N 0 0 369.259 2.562 20 10 FFCDRN CC(=O)Nc1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000279503831 511107315 /nfs/dbraw/zinc/10/73/15/511107315.db2.gz OHPGHNALPASUHY-UHFFFAOYSA-N 0 0 367.453 2.640 20 10 FFCDRN COc1ccc(NCc2cccc(F)c2O)cc1S(=O)(=O)NC1CC1 ZINC000289637331 511108157 /nfs/dbraw/zinc/10/81/57/511108157.db2.gz XIHJHOLNWJYPMQ-UHFFFAOYSA-N 0 0 366.414 2.593 20 10 FFCDRN CCc1c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccn1C ZINC000289701531 511110139 /nfs/dbraw/zinc/11/01/39/511110139.db2.gz DTZHVTSDSKZEKP-UHFFFAOYSA-N 0 0 359.445 2.618 20 10 FFCDRN COC[C@@H]1CCN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000297934294 511114945 /nfs/dbraw/zinc/11/49/45/511114945.db2.gz SNQHXHNZZAGNLH-MRXNPFEDSA-N 0 0 374.481 2.548 20 10 FFCDRN Cc1ccccc1-n1cc(CNCc2ccc(N3CCOCC3)cc2)nn1 ZINC000289816192 511116377 /nfs/dbraw/zinc/11/63/77/511116377.db2.gz SJJFJBSQIMDTHB-UHFFFAOYSA-N 0 0 363.465 2.702 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)c1nccs1 ZINC000289875564 511119234 /nfs/dbraw/zinc/11/92/34/511119234.db2.gz XCHHZCGYGJZJGB-CYBMUJFWSA-N 0 0 361.467 2.507 20 10 FFCDRN COc1cc(O)c(CNc2ccc(F)c(N3C(=O)CCC3=O)c2)cc1OC ZINC000289898555 511119867 /nfs/dbraw/zinc/11/98/67/511119867.db2.gz UCCUMVCRXQTLEG-UHFFFAOYSA-N 0 0 374.368 2.814 20 10 FFCDRN CCOCCN(C)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000297959265 511123201 /nfs/dbraw/zinc/12/32/01/511123201.db2.gz VDRKCXLFPGMKCN-UHFFFAOYSA-N 0 0 362.470 2.548 20 10 FFCDRN CCSCCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000282829938 511126178 /nfs/dbraw/zinc/12/61/78/511126178.db2.gz MGZCJMACMAJRJQ-UHFFFAOYSA-N 0 0 351.516 2.808 20 10 FFCDRN COCCCn1nccc1CN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000282875335 511144780 /nfs/dbraw/zinc/14/47/80/511144780.db2.gz WEKFNPCIKCFWCU-LJQANCHMSA-N 0 0 359.470 2.806 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3ccn4ccnc4c3)CC2)cc1 ZINC000290610399 511146305 /nfs/dbraw/zinc/14/63/05/511146305.db2.gz HXKCEOHRAYXAIC-UHFFFAOYSA-N 0 0 351.410 2.697 20 10 FFCDRN Cc1cnn([C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)c1 ZINC000290660778 511147310 /nfs/dbraw/zinc/14/73/10/511147310.db2.gz JMKZJOPCHBRNRK-LJQANCHMSA-N 0 0 353.470 2.948 20 10 FFCDRN Cc1nn(C)c(C)c1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000283104168 511237547 /nfs/dbraw/zinc/23/75/47/511237547.db2.gz GTOLANAJHMDEDE-IBGZPJMESA-N 0 0 370.497 2.924 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CSc1cccc[n+]1[O-] ZINC000298400598 511271955 /nfs/dbraw/zinc/27/19/55/511271955.db2.gz JBEOECVCKJFJNP-UHFFFAOYSA-N 0 0 359.495 2.915 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2F)C2CC2)cc1 ZINC000283304476 511315391 /nfs/dbraw/zinc/31/53/91/511315391.db2.gz BBDJASNWAXSFCU-UHFFFAOYSA-N 0 0 369.440 2.699 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCc2ccccc21 ZINC000283310655 511317890 /nfs/dbraw/zinc/31/78/90/511317890.db2.gz BAFZKZCZIMHKMP-FQEVSTJZSA-N 0 0 363.461 2.707 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ncnn1C(C)(C)C ZINC000283317207 511319143 /nfs/dbraw/zinc/31/91/43/511319143.db2.gz YNDQOQJAXWUDFZ-UHFFFAOYSA-N 0 0 358.490 2.831 20 10 FFCDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2O)C[C@](C)(F)C1 ZINC000295356861 511375165 /nfs/dbraw/zinc/37/51/65/511375165.db2.gz IYUGPQFZHHRPNK-SFHVURJKSA-N 0 0 368.405 2.519 20 10 FFCDRN CCO[C@H](C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000298693511 511376625 /nfs/dbraw/zinc/37/66/25/511376625.db2.gz FHVDEXBBMVZKAP-GFCCVEGCSA-N 0 0 360.376 2.583 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC([C@@H]2CCCO2)CC1 ZINC000298711693 511384608 /nfs/dbraw/zinc/38/46/08/511384608.db2.gz NXYYAKJOMPHOER-IBGZPJMESA-N 0 0 374.481 2.548 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000280290201 511408473 /nfs/dbraw/zinc/40/84/73/511408473.db2.gz OBXNMXWCAPOKLZ-APWZRJJASA-N 0 0 371.437 2.945 20 10 FFCDRN COc1ccccc1OCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298818930 511419332 /nfs/dbraw/zinc/41/93/32/511419332.db2.gz ZPLLBVYRKWJTPD-KRWDZBQOSA-N 0 0 371.433 2.987 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(O)cc1 ZINC000283573792 511420386 /nfs/dbraw/zinc/42/03/86/511420386.db2.gz OJUNZRFRPYQTGY-UHFFFAOYSA-N 0 0 356.422 2.543 20 10 FFCDRN CC[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@]2(CCOC2)O1 ZINC000365413943 511435979 /nfs/dbraw/zinc/43/59/79/511435979.db2.gz YKEUMCPILDWZNT-GHTZIAJQSA-N 0 0 373.497 2.549 20 10 FFCDRN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000272206150 511466049 /nfs/dbraw/zinc/46/60/49/511466049.db2.gz BIGFLIXOJHQJTA-SFHVURJKSA-N 0 0 352.431 2.798 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1)c1ccncc1 ZINC000283730492 511478038 /nfs/dbraw/zinc/47/80/38/511478038.db2.gz CEFKIFFZPMPSIL-LJQANCHMSA-N 0 0 368.481 2.812 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000272751935 511506558 /nfs/dbraw/zinc/50/65/58/511506558.db2.gz JWZMDOQISPPXRE-ZDUSSCGKSA-N 0 0 364.442 2.735 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@H]2CCN(c3ccccc3F)C2)c1O ZINC000292217990 511510361 /nfs/dbraw/zinc/51/03/61/511510361.db2.gz IIUAVPFTFYZRLJ-CQSZACIVSA-N 0 0 373.428 2.866 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 ZINC000273187434 511519240 /nfs/dbraw/zinc/51/92/40/511519240.db2.gz PEPIADYSZBOTGL-KCXAZCMYSA-N 0 0 369.417 2.720 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000273432630 511525822 /nfs/dbraw/zinc/52/58/22/511525822.db2.gz WDSNDTJSBHOUGW-OAHLLOKOSA-N 0 0 369.465 2.889 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCOc2cccc(NC(C)=O)c2)c1 ZINC000273524677 511530203 /nfs/dbraw/zinc/53/02/03/511530203.db2.gz UZUNBZKSGMENBV-ZDUSSCGKSA-N 0 0 372.421 2.867 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000295847610 511534816 /nfs/dbraw/zinc/53/48/16/511534816.db2.gz XGQBUIOQXJRQKO-GFCCVEGCSA-N 0 0 371.437 2.838 20 10 FFCDRN CC[C@@H](CSC)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283908659 511542121 /nfs/dbraw/zinc/54/21/21/511542121.db2.gz GQKVUDWLXTUXBH-INIZCTEOSA-N 0 0 363.527 2.503 20 10 FFCDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cccc(F)c2O)cc1 ZINC000280799752 511606536 /nfs/dbraw/zinc/60/65/36/511606536.db2.gz SEMWJWXXYYXDBO-LBPRGKRZSA-N 0 0 360.385 2.825 20 10 FFCDRN O=C(NCc1ccccc1O)NCc1ccccc1CN1CCCC1=O ZINC000299463560 511644944 /nfs/dbraw/zinc/64/49/44/511644944.db2.gz AMLYJEOSZVLAMM-UHFFFAOYSA-N 0 0 353.422 2.514 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCn2cccn2)cc1 ZINC000299571952 511664911 /nfs/dbraw/zinc/66/49/11/511664911.db2.gz BLDMVSHVDNHVTH-LJQANCHMSA-N 0 0 356.470 2.547 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNc3nc(C(N)=O)cs3)cc2F)C[C@@H](C)O1 ZINC000292643114 511670409 /nfs/dbraw/zinc/67/04/09/511670409.db2.gz ZCIQHSBBJZPCKE-GHMZBOCLSA-N 0 0 364.446 2.607 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2cncnc2)cc1 ZINC000292644600 511671451 /nfs/dbraw/zinc/67/14/51/511671451.db2.gz JPEVWTIXODAWGJ-HXUWFJFHSA-N 0 0 368.481 2.683 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC(n3cccn3)CC2)c([N+](=O)[O-])c1 ZINC000301124499 511689565 /nfs/dbraw/zinc/68/95/65/511689565.db2.gz XMDUFNZPLBJSEJ-GQCTYLIASA-N 0 0 356.382 2.819 20 10 FFCDRN CCNC(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)nc1 ZINC000301255806 511693527 /nfs/dbraw/zinc/69/35/27/511693527.db2.gz TZFXJYRZJJGOKQ-UHFFFAOYSA-N 0 0 356.495 2.997 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3nc(C4CC4)ns3)cc2)CC1 ZINC000302730147 511709854 /nfs/dbraw/zinc/70/98/54/511709854.db2.gz VHZYJXPMICVCMJ-UHFFFAOYSA-N 0 0 357.483 2.696 20 10 FFCDRN C[C@]1(F)CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000296504975 511770397 /nfs/dbraw/zinc/77/03/97/511770397.db2.gz YYODWBNQOFFMCS-SFHVURJKSA-N 0 0 353.413 2.696 20 10 FFCDRN O=C(NCCc1cn2c(n1)SCC2)NCc1ccc(N2CCCC2)cc1 ZINC000274264977 511772447 /nfs/dbraw/zinc/77/24/47/511772447.db2.gz NOVPOUAKLACHQJ-UHFFFAOYSA-N 0 0 371.510 2.631 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@@H](C(=O)N(C)c3ccccc3)C2)c(O)c1O ZINC000281460556 511857718 /nfs/dbraw/zinc/85/77/18/511857718.db2.gz BYOPPRHBBDLGHK-CQSZACIVSA-N 0 0 354.406 2.531 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(=O)c1ccccn1 ZINC000274602793 511885897 /nfs/dbraw/zinc/88/58/97/511885897.db2.gz OHHQXEIFXAZPSK-UHFFFAOYSA-N 0 0 367.449 2.540 20 10 FFCDRN Cn1nccc1[C@H]1[C@H]([NH2+]Cc2cccc(Cl)c2[O-])CCC(=O)N1C1CC1 ZINC000284846634 511896051 /nfs/dbraw/zinc/89/60/51/511896051.db2.gz OBMPUZRLZQWDLR-CRAIPNDOSA-N 0 0 374.872 2.763 20 10 FFCDRN CC(C)C(=O)Nc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccn1 ZINC000293333467 511927368 /nfs/dbraw/zinc/92/73/68/511927368.db2.gz DEKWLPSXMVGDHK-UHFFFAOYSA-N 0 0 368.437 2.781 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC(c4cn[nH]c4)CC3)ccc21 ZINC000364059688 511935849 /nfs/dbraw/zinc/93/58/49/511935849.db2.gz SCZGDKYTPMXUED-UHFFFAOYSA-N 0 0 353.470 2.881 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCc2n[nH]c(=O)cc2C1 ZINC000274840415 511959515 /nfs/dbraw/zinc/95/95/15/511959515.db2.gz VWAMERKWPAFHGL-UHFFFAOYSA-N 0 0 362.433 2.684 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000366373932 511985227 /nfs/dbraw/zinc/98/52/27/511985227.db2.gz GOFGIONWWQUNJI-HNNXBMFYSA-N 0 0 357.447 2.523 20 10 FFCDRN Cc1cnn(C)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000285299211 512069553 /nfs/dbraw/zinc/06/95/53/512069553.db2.gz UMAVGVIGQLRVGL-UHFFFAOYSA-N 0 0 363.483 2.958 20 10 FFCDRN CCn1cc([C@@H](C)NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cn1 ZINC000297236149 512071740 /nfs/dbraw/zinc/07/17/40/512071740.db2.gz RXAFEZKKXAHSNF-YXMGTMDOSA-N 0 0 354.454 2.630 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000366559550 512085726 /nfs/dbraw/zinc/08/57/26/512085726.db2.gz UIWVCSNBNSVTKO-INIZCTEOSA-N 0 0 359.495 2.702 20 10 FFCDRN COc1ccc(CNC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000373666665 512449866 /nfs/dbraw/zinc/44/98/66/512449866.db2.gz GYZMACICDZUOEL-LJQANCHMSA-N 0 0 364.442 2.664 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)c(O)c1 ZINC000375681349 512453322 /nfs/dbraw/zinc/45/33/22/512453322.db2.gz YUDGIUXTQUSUAI-OAHLLOKOSA-N 0 0 358.442 2.535 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N2CCc3ccc(F)c(F)c32)cn1 ZINC000411066474 512457944 /nfs/dbraw/zinc/45/79/44/512457944.db2.gz MTKZLSKVJREFGQ-UHFFFAOYSA-N 0 0 357.364 2.785 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000375717897 512470147 /nfs/dbraw/zinc/47/01/47/512470147.db2.gz IOCJYTDEMMTQKA-ZDUSSCGKSA-N 0 0 373.413 2.684 20 10 FFCDRN CC(=O)N[C@@H]1Cc2ccccc2N(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000371584213 512479641 /nfs/dbraw/zinc/47/96/41/512479641.db2.gz RCMBXJVRPNYVND-HXUWFJFHSA-N 0 0 365.477 2.591 20 10 FFCDRN Cc1cc(C(=O)N2CCc3ccccc3[C@H]2C(N)=O)c(C)n1-c1ccccn1 ZINC000375873142 512548083 /nfs/dbraw/zinc/54/80/83/512548083.db2.gz GWIBKRHQVXPYSQ-FQEVSTJZSA-N 0 0 374.444 2.714 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC[C@]2(C)OCCc3sccc32)c1 ZINC000378113484 512597000 /nfs/dbraw/zinc/59/70/00/512597000.db2.gz QIPLVJDRYUHAGV-SFHVURJKSA-N 0 0 362.451 2.750 20 10 FFCDRN CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(F)cc1[O-] ZINC000367722656 512632915 /nfs/dbraw/zinc/63/29/15/512632915.db2.gz BNFAZPGPCISAJB-WMZOPIPTSA-N 0 0 354.491 2.780 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@]3(CCO[C@H]3C)C2)c1O ZINC000370032498 512735770 /nfs/dbraw/zinc/73/57/70/512735770.db2.gz LKNYAGDHBFALDR-MEDUHNTESA-N 0 0 372.259 2.543 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000374283611 512744772 /nfs/dbraw/zinc/74/47/72/512744772.db2.gz MBCRJOUERNHALP-IAGOWNOFSA-N 0 0 361.486 2.732 20 10 FFCDRN O=Cc1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH]1 ZINC000370146329 512790549 /nfs/dbraw/zinc/79/05/49/512790549.db2.gz ONGBLCRXOQNGHN-UHFFFAOYSA-N 0 0 363.364 2.827 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCc2nnc(C3CC3)n2C1 ZINC000368393246 512927640 /nfs/dbraw/zinc/92/76/40/512927640.db2.gz NKAVFUHONFFXQP-QGZVFWFLSA-N 0 0 367.497 2.833 20 10 FFCDRN CO[C@@H](C)CN(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000376778196 512984139 /nfs/dbraw/zinc/98/41/39/512984139.db2.gz NKGUJUPUZKFICK-ZDUSSCGKSA-N 0 0 371.428 2.933 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](c1ccccc1)n1cccn1 ZINC000475942203 514863090 /nfs/dbraw/zinc/86/30/90/514863090.db2.gz WNPHBFVQTXZUEX-FQEVSTJZSA-N 0 0 362.433 2.964 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C(N)=O)c1ccccc1 ZINC000471528380 514918209 /nfs/dbraw/zinc/91/82/09/514918209.db2.gz FIHOLKURORNUSS-GOSISDBHSA-N 0 0 350.422 2.513 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1COCCN1C1CCCC1 ZINC000509409706 515164556 /nfs/dbraw/zinc/16/45/56/515164556.db2.gz CVFZWFYGASTYOA-HXUWFJFHSA-N 0 0 355.482 2.746 20 10 FFCDRN CCO[C@@H]1C[C@](O)(CNC(=O)NCc2c(C)c3ccccc3n2C)C1(C)C ZINC000472273606 515195036 /nfs/dbraw/zinc/19/50/36/515195036.db2.gz GCVCWPHFLDYLFW-NQIIRXRSSA-N 0 0 373.497 2.852 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CC(C)(C)OC1(C)C ZINC000499337018 515292251 /nfs/dbraw/zinc/29/22/51/515292251.db2.gz BALSHUXNMCVMSZ-KRWDZBQOSA-N 0 0 371.481 2.565 20 10 FFCDRN COc1ccc(F)cc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472796626 515402837 /nfs/dbraw/zinc/40/28/37/515402837.db2.gz VEEJHKVSDBQBJE-UHFFFAOYSA-N 0 0 369.396 2.889 20 10 FFCDRN CCN(C(=O)c1ccoc1CC(N)=O)c1cccc(Br)c1 ZINC000505284264 515497262 /nfs/dbraw/zinc/49/72/62/515497262.db2.gz VFQVZMHNEVHYFV-UHFFFAOYSA-N 0 0 351.200 2.737 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(C)nc2c1c(=O)[nH]n2C ZINC000473266607 515557101 /nfs/dbraw/zinc/55/71/01/515557101.db2.gz WRXDIKWDECCQTE-UHFFFAOYSA-N 0 0 363.421 2.712 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)NCc1c(C)c2ccccc2n1C)c1ccncc1 ZINC000558089549 516589013 /nfs/dbraw/zinc/58/90/13/516589013.db2.gz ZORNMNOUUVWPPK-QGZVFWFLSA-N 0 0 364.449 2.765 20 10 FFCDRN CC1(N2CCOCC2)CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000529665231 517271478 /nfs/dbraw/zinc/27/14/78/517271478.db2.gz VXHNTKSGTRFFNB-UHFFFAOYSA-N 0 0 369.303 2.841 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCc1ccc(F)c(C)c1 ZINC000559511211 517296831 /nfs/dbraw/zinc/29/68/31/517296831.db2.gz RSDYDQNKXPUQBR-UHFFFAOYSA-N 0 0 367.424 2.867 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCc2ccccc2C1 ZINC000576852815 518797062 /nfs/dbraw/zinc/79/70/62/518797062.db2.gz DVZGFPVQWYRFNR-UHFFFAOYSA-N 0 0 361.445 2.688 20 10 FFCDRN CS[C@H]1CCCCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000588771508 518827809 /nfs/dbraw/zinc/82/78/09/518827809.db2.gz ZAQGEELRDSBZCJ-HNNXBMFYSA-N 0 0 373.522 2.847 20 10 FFCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC2CSC2)C1 ZINC000616050592 521611770 /nfs/dbraw/zinc/61/17/70/521611770.db2.gz CUCLPULJJZYZQB-UHFFFAOYSA-N 0 0 357.523 2.887 20 10 FFCDRN Cc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c(F)c1F ZINC000625029263 523111639 /nfs/dbraw/zinc/11/16/39/523111639.db2.gz XVMNYBMOOXUTCQ-UHFFFAOYSA-N 0 0 368.405 2.927 20 10 FFCDRN O=C(C=Cc1ccccc1-c1nn[nH]n1)NCCCSc1nccs1 ZINC000737803968 598912015 /nfs/dbraw/zinc/91/20/15/598912015.db2.gz XAXSHEJPMCXPCF-SREVYHEPSA-N 0 0 372.479 2.635 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738398147 598275205 /nfs/dbraw/zinc/27/52/05/598275205.db2.gz UNKVTJOQNLQERS-UHFFFAOYSA-N 0 0 360.215 2.625 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[NH+]2CCC(C3OCCO3)CC2)c1O ZINC000740097662 600426629 /nfs/dbraw/zinc/42/66/29/600426629.db2.gz PESAADDXYOQDIP-UHFFFAOYSA-N 0 0 357.406 2.829 20 10 FFCDRN C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830714824 600986399 /nfs/dbraw/zinc/98/63/99/600986399.db2.gz ZDGNURKVAPTGNC-WRLNGNIRSA-N 0 0 359.426 2.861 20 10 FFCDRN CCN(CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000739434215 602311276 /nfs/dbraw/zinc/31/12/76/602311276.db2.gz NWYABRWBPOKPAQ-UHFFFAOYSA-N 0 0 350.419 2.675 20 10 FFCDRN COc1ccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])CC2)cc1 ZINC000829425019 603710749 /nfs/dbraw/zinc/71/07/49/603710749.db2.gz XMDNBRPXSRBJIA-ZNXRZULTSA-N 0 0 359.470 2.927 20 10 FFCDRN CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)NC(=O)[O-] ZINC000825484568 604335019 /nfs/dbraw/zinc/33/50/19/604335019.db2.gz JFCRBCCXXPPEOP-CZUORRHYSA-N 0 0 353.438 2.605 20 10 FFCDRN Cc1cc(Br)cc(C[N@H+]2C[C@@H](CNC(=O)[O-])C[C@H]2C)c1O ZINC000833897409 605996355 /nfs/dbraw/zinc/99/63/55/605996355.db2.gz KEBLQMWGUXJOOI-GHMZBOCLSA-N 0 0 357.248 2.941 20 10 FFCDRN CN(CCCOc1cccc(-c2nn[nH]n2)c1)c1ccc2c(c1)OCO2 ZINC000825923261 607927418 /nfs/dbraw/zinc/92/74/18/607927418.db2.gz DUFLURBGJSSYJV-UHFFFAOYSA-N 0 0 353.382 2.501 20 10 FFCDRN Cc1cc(C(=O)Cn2ccnc2-c2nn[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000826295374 608014357 /nfs/dbraw/zinc/01/43/57/608014357.db2.gz DYHAHBVWSSFIQP-UHFFFAOYSA-N 0 0 361.409 2.662 20 10 FFCDRN C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825976770 608521547 /nfs/dbraw/zinc/52/15/47/608521547.db2.gz POGBWIKYKCTQSU-UHFFFAOYSA-N 0 0 374.788 2.766 20 10 FFCDRN O[C@H](COC[C@@H]1CCCO1)CN1CCCc2cc(OC(F)F)ccc21 ZINC000157836914 728878051 /nfs/dbraw/zinc/87/80/51/728878051.db2.gz ZBQAXJFOBNSQMY-HOCLYGCPSA-N 0 0 357.397 2.597 20 10 FFCDRN C[C@@H](Oc1ccccc1Br)C(=O)NCc1ccc(O)c(O)c1 ZINC000159025552 728899728 /nfs/dbraw/zinc/89/97/28/728899728.db2.gz BRLAPNAMINVFJL-SNVBAGLBSA-N 0 0 366.211 2.944 20 10 FFCDRN CN(C[C@H]1CCC[C@@H]1O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000159315489 728904521 /nfs/dbraw/zinc/90/45/21/728904521.db2.gz ICAAHLCTIBMPJK-AEFFLSMTSA-N 0 0 363.527 2.542 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1O ZINC000161120778 728929079 /nfs/dbraw/zinc/92/90/79/728929079.db2.gz OPAZGYFJARJYSL-UHFFFAOYSA-N 0 0 361.341 2.898 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCCN(CC(F)F)CC1 ZINC000162240263 728940966 /nfs/dbraw/zinc/94/09/66/728940966.db2.gz YIFPXDSOYDPHJV-UHFFFAOYSA-N 0 0 354.445 2.543 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000162550599 728946353 /nfs/dbraw/zinc/94/63/53/728946353.db2.gz FWSCGEWBYMYHBO-AWEZNQCLSA-N 0 0 362.495 2.956 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2cscc2Cl)cc1 ZINC000898589387 735387568 /nfs/dbraw/zinc/38/75/68/735387568.db2.gz SMJUNNODJYKFFI-UHFFFAOYSA-N 0 0 365.886 2.742 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cncc(F)c1Cl ZINC000898982887 735429794 /nfs/dbraw/zinc/42/97/94/735429794.db2.gz KGZVHSKNZLOXLO-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN Cc1nc(C)c(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000898983614 735429866 /nfs/dbraw/zinc/42/98/66/735429866.db2.gz WWSRTSDQOIDRDX-UHFFFAOYSA-N 0 0 359.495 2.580 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000064244977 728147203 /nfs/dbraw/zinc/14/72/03/728147203.db2.gz VPMBLLHILYNKSB-UHFFFAOYSA-N 0 0 369.468 2.933 20 10 FFCDRN C[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000065277670 728156503 /nfs/dbraw/zinc/15/65/03/728156503.db2.gz IDXWDOWHIRTNSX-AWEZNQCLSA-N 0 0 364.442 2.702 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)NCc3sccc3C)CC2)cc1 ZINC000076457044 728261525 /nfs/dbraw/zinc/26/15/25/728261525.db2.gz HNLIUNKKIDCGLH-UHFFFAOYSA-N 0 0 359.495 2.504 20 10 FFCDRN C[C@H](c1ccccc1)[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000080101905 728322062 /nfs/dbraw/zinc/32/20/62/728322062.db2.gz FXRLWMNXJIGCKN-STQMWFEESA-N 0 0 362.451 2.686 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@]3(O)CCSC3)c2C)cc1 ZINC000082966198 728407059 /nfs/dbraw/zinc/40/70/59/728407059.db2.gz GPUKYESEPUESOR-IBGZPJMESA-N 0 0 360.479 2.701 20 10 FFCDRN COc1ccccc1C[N@H+](CCO)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091790338 728462317 /nfs/dbraw/zinc/46/23/17/728462317.db2.gz STQZSSAFDRNSEL-UHFFFAOYSA-N 0 0 366.801 2.957 20 10 FFCDRN CCN(CC)C(=O)[C@@H]1CCCN1Cc1cc(Br)ccc1O ZINC000092509645 728468114 /nfs/dbraw/zinc/46/81/14/728468114.db2.gz BXWZRKMJGUUNHI-AWEZNQCLSA-N 0 0 355.276 2.988 20 10 FFCDRN COc1cccc(CN2CCN(Cc3ccc(Cl)cc3)C(=O)C2)c1O ZINC000093535275 728476341 /nfs/dbraw/zinc/47/63/41/728476341.db2.gz ACVRMOPFEKXKKR-UHFFFAOYSA-N 0 0 360.841 2.899 20 10 FFCDRN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(Br)c1[O-])CC2 ZINC000093613907 728476665 /nfs/dbraw/zinc/47/66/65/728476665.db2.gz CGAXNEPVHXVDBH-HUUCEWRRSA-N 0 0 370.287 2.907 20 10 FFCDRN CCCC[C@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094102676 728479480 /nfs/dbraw/zinc/47/94/80/728479480.db2.gz CRYLOZQKXUQAOF-SWLSCSKDSA-N 0 0 354.472 2.852 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000101569369 728486487 /nfs/dbraw/zinc/48/64/87/728486487.db2.gz VVDSKRXOBTWOAF-UHFFFAOYSA-N 0 0 369.830 2.793 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(-c3ncccn3)s2)c1 ZINC000103528893 728497766 /nfs/dbraw/zinc/49/77/66/728497766.db2.gz CAPOJNIREBHHDP-SNVBAGLBSA-N 0 0 356.407 2.805 20 10 FFCDRN O=C(NCCCSc1nccs1)c1[nH]nc2ccc([N+](=O)[O-])cc21 ZINC000114139917 728558997 /nfs/dbraw/zinc/55/89/97/728558997.db2.gz NGMRLXBMRVTQGD-UHFFFAOYSA-N 0 0 363.424 2.840 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CN=C(N2CCOCC2)S1 ZINC000114097032 728559036 /nfs/dbraw/zinc/55/90/36/728559036.db2.gz LRYWATFHDYVPHG-HNNXBMFYSA-N 0 0 374.535 2.983 20 10 FFCDRN C[C@@H](NC(=O)C1CCCCC1)C(=O)NCCCSc1nccs1 ZINC000114375788 728559974 /nfs/dbraw/zinc/55/99/74/728559974.db2.gz NHPXNIWVSNFCFH-GFCCVEGCSA-N 0 0 355.529 2.827 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccccc1S(C)(=O)=O ZINC000115752667 728567318 /nfs/dbraw/zinc/56/73/18/728567318.db2.gz BCEUVRAMGPEFGQ-UHFFFAOYSA-N 0 0 361.467 2.786 20 10 FFCDRN CNC(=O)c1ccc(C[N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000121153049 728621421 /nfs/dbraw/zinc/62/14/21/728621421.db2.gz BYHSUTQZTJYYQQ-UHFFFAOYSA-N 0 0 363.801 2.945 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(C)CCC(=O)OC(C)(C)C)cc1F ZINC000122381726 728646932 /nfs/dbraw/zinc/64/69/32/728646932.db2.gz VQPJMOKUMDPQGH-UHFFFAOYSA-N 0 0 353.438 2.765 20 10 FFCDRN CCc1ncc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000123122825 728655362 /nfs/dbraw/zinc/65/53/62/728655362.db2.gz ZZDRACDUUKHKRE-UHFFFAOYSA-N 0 0 359.495 2.844 20 10 FFCDRN COc1cc(N(C)CC(=O)NCC2CCCCC2)cc(OC)c1OC ZINC000125738668 728687033 /nfs/dbraw/zinc/68/70/33/728687033.db2.gz IDNUXTWLCLAALY-UHFFFAOYSA-N 0 0 350.459 2.845 20 10 FFCDRN O=C(NC[C@H]1CCCS1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000127045224 728705281 /nfs/dbraw/zinc/70/52/81/728705281.db2.gz VCDYVPHYMPTQIX-JKSUJKDBSA-N 0 0 350.484 2.978 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000134613610 728731414 /nfs/dbraw/zinc/73/14/14/728731414.db2.gz PNYKRGYJRPIILV-LLVKDONJSA-N 0 0 362.813 2.746 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000134611574 728731439 /nfs/dbraw/zinc/73/14/39/728731439.db2.gz UJDRMEFQRCTFCH-SECBINFHSA-N 0 0 366.776 2.576 20 10 FFCDRN Cc1noc(C2CC2)c1NC(=O)C(=O)NCCCSc1nccs1 ZINC000134628599 728731593 /nfs/dbraw/zinc/73/15/93/728731593.db2.gz PJDQVFRDTSNWJQ-UHFFFAOYSA-N 0 0 366.468 2.554 20 10 FFCDRN CCOc1ccc(N(C)CC(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 ZINC000150734870 728743321 /nfs/dbraw/zinc/74/33/21/728743321.db2.gz FDJXVUOUWOTADK-UHFFFAOYSA-N 0 0 362.451 2.564 20 10 FFCDRN CC(C)(C)CCS(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000151259599 728744745 /nfs/dbraw/zinc/74/47/45/728744745.db2.gz CMNLKHLIFFSTRP-UHFFFAOYSA-N 0 0 368.543 2.751 20 10 FFCDRN CCCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000170760152 728988756 /nfs/dbraw/zinc/98/87/56/728988756.db2.gz RHKVFBMLKHWLDD-QGZVFWFLSA-N 0 0 363.527 2.851 20 10 FFCDRN COCCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173988764 729059747 /nfs/dbraw/zinc/05/97/47/729059747.db2.gz PYCIRSUZMRWZEA-CYBMUJFWSA-N 0 0 357.401 2.593 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCn1cccn1 ZINC000174956025 729083459 /nfs/dbraw/zinc/08/34/59/729083459.db2.gz JUZNJDYUHDDLBB-UHFFFAOYSA-N 0 0 367.247 2.583 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCC(=O)C(C)(C)C)CC2)cc1 ZINC000175157306 729088301 /nfs/dbraw/zinc/08/83/01/729088301.db2.gz RAYMPMXGMOJWPA-UHFFFAOYSA-N 0 0 364.511 2.692 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)CS(C)(=O)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000176687534 729117239 /nfs/dbraw/zinc/11/72/39/729117239.db2.gz FRXVYNRALYSBNB-AWEZNQCLSA-N 0 0 362.495 2.874 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)C(C)(C)C)CC2)c1O ZINC000177250888 729132425 /nfs/dbraw/zinc/13/24/25/729132425.db2.gz FUOMADMHVVYVQI-UHFFFAOYSA-N 0 0 352.862 2.939 20 10 FFCDRN Cc1cc(C(F)(F)F)nn1CCNC(=O)N[C@@H](C)c1ccccc1O ZINC000924385344 738408431 /nfs/dbraw/zinc/40/84/31/738408431.db2.gz ZZBHTHAVWUPVDS-NSHDSACASA-N 0 0 356.348 2.976 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1cccc2cccnc21 ZINC000177761431 729145960 /nfs/dbraw/zinc/14/59/60/729145960.db2.gz IXPDYNQJANHHIP-UHFFFAOYSA-N 0 0 372.475 2.928 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCc3cscn3)CC2)cc1 ZINC000178451206 729162750 /nfs/dbraw/zinc/16/27/50/729162750.db2.gz HUPDOQBKGCTGMW-UHFFFAOYSA-N 0 0 363.508 2.734 20 10 FFCDRN CCCCN(CCCO)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000183431217 729304215 /nfs/dbraw/zinc/30/42/15/729304215.db2.gz PIZQMEDFCPSWOW-UHFFFAOYSA-N 0 0 365.543 2.934 20 10 FFCDRN Cc1cnc([C@@H](NCC(=O)NCc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000185335934 729346989 /nfs/dbraw/zinc/34/69/89/729346989.db2.gz MXJKKTUFRCSRBL-SFHVURJKSA-N 0 0 358.511 2.875 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3(OC)CCCCC3)CC2)cc1F ZINC000185664583 729354060 /nfs/dbraw/zinc/35/40/60/729354060.db2.gz OQLRNCYGPNMNAP-UHFFFAOYSA-N 0 0 350.434 2.832 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]c(=S)[nH]1 ZINC000193097894 729468177 /nfs/dbraw/zinc/46/81/77/729468177.db2.gz BBFAKPKMVFWEHJ-SNVBAGLBSA-N 0 0 368.409 2.699 20 10 FFCDRN CCN(CC(C)C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000193378706 729476452 /nfs/dbraw/zinc/47/64/52/729476452.db2.gz BNOOHLSNSJIIFI-UHFFFAOYSA-N 0 0 351.466 2.974 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000193957832 729495406 /nfs/dbraw/zinc/49/54/06/729495406.db2.gz DQVOLRDGKOYYGP-UXMMLNGASA-N 0 0 366.414 2.727 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](C(F)F)C2)cc1F ZINC000194237425 729504313 /nfs/dbraw/zinc/50/43/13/729504313.db2.gz ILPRPKBHVGABSM-OAHLLOKOSA-N 0 0 359.392 2.847 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000924520931 738425594 /nfs/dbraw/zinc/42/55/94/738425594.db2.gz VSFSQXLQVPXJEP-JQWIXIFHSA-N 0 0 352.740 2.955 20 10 FFCDRN CSc1ncc(Cl)c(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000195019132 729527175 /nfs/dbraw/zinc/52/71/75/729527175.db2.gz NOWCIVQTWBLXLP-UHFFFAOYSA-N 0 0 354.838 2.987 20 10 FFCDRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907640413 736650741 /nfs/dbraw/zinc/65/07/41/736650741.db2.gz RFXMTNNIKOKOAN-QEKSWQHZSA-N 0 0 361.419 2.726 20 10 FFCDRN O=S(=O)(NN=c1[nH]c2cccnc2s1)c1ccc2c(c1)CCCC2 ZINC000857224626 730386117 /nfs/dbraw/zinc/38/61/17/730386117.db2.gz VFLXCWCZKZNSTD-UHFFFAOYSA-N 0 0 360.464 2.876 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000857262377 730388157 /nfs/dbraw/zinc/38/81/57/730388157.db2.gz INRUYYPVXQVEQH-UHFFFAOYSA-N 0 0 366.776 2.969 20 10 FFCDRN O=c1nc(Cl)cc(NCc2cc(F)c(N3CCOCC3)c(F)c2)[nH]1 ZINC000858567050 730428942 /nfs/dbraw/zinc/42/89/42/730428942.db2.gz QWSCSMQACCPUBS-UHFFFAOYSA-N 0 0 356.760 2.563 20 10 FFCDRN CON(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000858587400 730429318 /nfs/dbraw/zinc/42/93/18/730429318.db2.gz MXTUIJPPHIIIJT-JGVFFNPUSA-N 0 0 365.655 2.867 20 10 FFCDRN Cc1cn(CC(=O)NCCCSc2nccs2)nc1C(F)(F)F ZINC000859350886 730451397 /nfs/dbraw/zinc/45/13/97/730451397.db2.gz HCXFQKDZMJPOTN-UHFFFAOYSA-N 0 0 364.418 2.965 20 10 FFCDRN CCC[C@H](OCC)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000859734249 730464466 /nfs/dbraw/zinc/46/44/66/730464466.db2.gz NXFZUCFAGHWZJC-SFHVURJKSA-N 0 0 352.450 2.608 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000860606115 730529508 /nfs/dbraw/zinc/52/95/08/730529508.db2.gz SKCFUXIUVLARIZ-QLQJRFMMSA-N 0 0 369.845 2.607 20 10 FFCDRN COC(=O)c1cccc(NNC(=S)Nc2ccc3c(c2)OCCO3)c1 ZINC000779726544 738479806 /nfs/dbraw/zinc/47/98/06/738479806.db2.gz GMGWHKMMSQFOAS-UHFFFAOYSA-N 0 0 359.407 2.558 20 10 FFCDRN CCCCN(Cc1cc(F)c(N(C)C)cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000862213957 730676782 /nfs/dbraw/zinc/67/67/82/730676782.db2.gz ZEWUZQWOPLBXGH-CQSZACIVSA-N 0 0 360.470 2.820 20 10 FFCDRN Oc1cccc(Br)c1CN1CCN(Cc2ccncc2)CC1 ZINC000862302578 730686939 /nfs/dbraw/zinc/68/69/39/730686939.db2.gz WJAKDNBDSCJHDH-UHFFFAOYSA-N 0 0 362.271 2.868 20 10 FFCDRN CCOC(=O)[C@@H](NCc1c(O)cccc1Br)[C@@H]1CCCOC1 ZINC000862339609 730690234 /nfs/dbraw/zinc/69/02/34/730690234.db2.gz ZNABHPOJYLIYGC-ABAIWWIYSA-N 0 0 372.259 2.603 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCC3(CCC3)S(=O)(=O)CC2)cc1F ZINC000862395182 730696777 /nfs/dbraw/zinc/69/67/77/730696777.db2.gz PKWSWGKQICKMHW-UHFFFAOYSA-N 0 0 358.454 2.574 20 10 FFCDRN O=C1/C(=C\c2cn(C[C@@H]3CCOC3)nn2)SC(=S)N1c1ccccc1 ZINC000865214577 730924882 /nfs/dbraw/zinc/92/48/82/730924882.db2.gz BZTLHWJOGUNJHD-AAWHYMEISA-N 0 0 372.475 2.720 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccnc(N3CCSCC3)c2)c1 ZINC000865720886 730990180 /nfs/dbraw/zinc/99/01/80/730990180.db2.gz KTJNSQHVSOWRAB-UHFFFAOYSA-N 0 0 360.439 2.538 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1(C(F)F)CCC1 ZINC000865952573 731014793 /nfs/dbraw/zinc/01/47/93/731014793.db2.gz NFAYFSHCEOZIKL-UHFFFAOYSA-N 0 0 352.425 2.947 20 10 FFCDRN C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000866573882 731075722 /nfs/dbraw/zinc/07/57/22/731075722.db2.gz ZVOCEMWQUOEHDB-MRVPVSSYSA-N 0 0 355.287 2.664 20 10 FFCDRN CCS(=O)(CC)=NS(=O)(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000866642505 731082576 /nfs/dbraw/zinc/08/25/76/731082576.db2.gz NBGBVMQBLTWKEC-UHFFFAOYSA-N 0 0 373.544 2.519 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC000868109768 731259855 /nfs/dbraw/zinc/25/98/55/731259855.db2.gz JCBRPSNKEIFUHW-CABCVRRESA-N 0 0 361.360 2.867 20 10 FFCDRN CSC1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000868115917 731260395 /nfs/dbraw/zinc/26/03/95/731260395.db2.gz HAQQNYOSPMGQOI-UHFFFAOYSA-N 0 0 367.490 2.699 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1CC12CCC2 ZINC000873038116 731866735 /nfs/dbraw/zinc/86/67/35/731866735.db2.gz IJTZSVPISBNLNN-OAHLLOKOSA-N 0 0 351.397 2.543 20 10 FFCDRN CC(C)OC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1 ZINC000874093571 732009284 /nfs/dbraw/zinc/00/92/84/732009284.db2.gz RJNCCTJVODCADZ-UHFFFAOYSA-N 0 0 350.434 2.626 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCOC[C@@H]1c1noc(-c2ccccc2)n1 ZINC000780749842 738573305 /nfs/dbraw/zinc/57/33/05/738573305.db2.gz LBULEVCXERKHEK-CYBMUJFWSA-N 0 0 357.391 2.717 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)OCC(F)(F)F)C2)cc1 ZINC000875679732 732179914 /nfs/dbraw/zinc/17/99/14/732179914.db2.gz QWVFVNFLMPUHSV-GFCCVEGCSA-N 0 0 361.364 2.657 20 10 FFCDRN O=C(NCC[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1c(O)cccc1F ZINC000926298032 738594552 /nfs/dbraw/zinc/59/45/52/738594552.db2.gz KUTYMCWTDSOJKY-TVQRCGJNSA-N 0 0 350.312 2.831 20 10 FFCDRN Cc1cccc(O)c1CN1CCc2c(cccc2S(=O)(=O)N(C)C)C1 ZINC000877506617 732375101 /nfs/dbraw/zinc/37/51/01/732375101.db2.gz AGMGWSAAKGYKMD-UHFFFAOYSA-N 0 0 360.479 2.509 20 10 FFCDRN O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877798921 732434472 /nfs/dbraw/zinc/43/44/72/732434472.db2.gz GDZXAOMESKDNMR-BZUAXINKSA-N 0 0 366.889 2.677 20 10 FFCDRN COc1cc(N(C)C[C@@H]2CCC3(CCOCC3)O2)cc(OC)c1OC ZINC000878130457 732486668 /nfs/dbraw/zinc/48/66/68/732486668.db2.gz YYTKZFPOAAPDEJ-HNNXBMFYSA-N 0 0 351.443 2.877 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000781396158 738623775 /nfs/dbraw/zinc/62/37/75/738623775.db2.gz JKXXDZOBWSVRTF-HWPRWLFBSA-N 0 0 356.325 2.989 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1O ZINC000879342105 732687055 /nfs/dbraw/zinc/68/70/55/732687055.db2.gz YBZZWZZJERSVGW-GXFFZTMASA-N 0 0 351.752 2.851 20 10 FFCDRN C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000879774205 732766051 /nfs/dbraw/zinc/76/60/51/732766051.db2.gz FKIJHHBIKAMKEC-YMTOWFKASA-N 0 0 364.243 2.860 20 10 FFCDRN COC(=O)c1ccc(NC(=O)NCCCSc2nccs2)cn1 ZINC000880583855 732926463 /nfs/dbraw/zinc/92/64/63/732926463.db2.gz JQVAACTZAJEKLS-UHFFFAOYSA-N 0 0 352.441 2.629 20 10 FFCDRN Cn1cc(Cl)c(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000881184027 733023333 /nfs/dbraw/zinc/02/33/33/733023333.db2.gz KDBZWYRPWARROW-ZDUSSCGKSA-N 0 0 364.833 2.992 20 10 FFCDRN CN(C)S(=O)(=O)CCCN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781964572 738677199 /nfs/dbraw/zinc/67/71/99/738677199.db2.gz WDPSWUDSDJSITA-UHFFFAOYSA-N 0 0 362.495 2.983 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)[C@@H]2CCOC[C@@H]2C)cc1 ZINC000881774079 733105439 /nfs/dbraw/zinc/10/54/39/733105439.db2.gz IHZWCCLXVRHQBV-MAUKXSAKSA-N 0 0 354.516 2.719 20 10 FFCDRN CN(C)c1nccc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])n1 ZINC000883083315 733329682 /nfs/dbraw/zinc/32/96/82/733329682.db2.gz HVOYILMVBDCKDD-UHFFFAOYSA-N 0 0 371.666 2.954 20 10 FFCDRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000883119777 733337775 /nfs/dbraw/zinc/33/77/75/733337775.db2.gz KHJCOFMZJSLQHW-DTWKUNHWSA-N 0 0 370.425 2.837 20 10 FFCDRN O=C1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C[C@H]2CCCCN12 ZINC000883140611 733340921 /nfs/dbraw/zinc/34/09/21/733340921.db2.gz ZEERPPHYEUCLSO-YPMHNXCESA-N 0 0 357.223 2.537 20 10 FFCDRN Cn1cc(NCc2ccc(N3CCOCC3)c(F)c2)c(Br)n1 ZINC000883163808 733345111 /nfs/dbraw/zinc/34/51/11/733345111.db2.gz LVNRDTXBWYQBNF-UHFFFAOYSA-N 0 0 369.238 2.770 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](CO)Cc2ccoc2)c1 ZINC000883270575 733357605 /nfs/dbraw/zinc/35/76/05/733357605.db2.gz RFGYXBSAAWXPRY-ZDUSSCGKSA-N 0 0 354.244 2.997 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCc3ccns3)CC2)cc1 ZINC000883785829 733438529 /nfs/dbraw/zinc/43/85/29/733438529.db2.gz DUCGRPUTIIQHGO-UHFFFAOYSA-N 0 0 360.483 2.616 20 10 FFCDRN COc1c(Br)c([N+](=O)[O-])c(N2C[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000884587177 733542761 /nfs/dbraw/zinc/54/27/61/733542761.db2.gz BZWJWSWCIVMROW-KNVOCYPGSA-N 0 0 358.148 2.730 20 10 FFCDRN COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886601394 733808171 /nfs/dbraw/zinc/80/81/71/733808171.db2.gz ROMOLHFCMNSZMX-CYBMUJFWSA-N 0 0 367.442 2.802 20 10 FFCDRN Cc1cccc(C)c1CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000887960860 733997389 /nfs/dbraw/zinc/99/73/89/733997389.db2.gz UHSUBAMJPXMWSY-UHFFFAOYSA-N 0 0 362.451 2.653 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2c(Cl)c(C)nn2C)cc1 ZINC000888631683 734080569 /nfs/dbraw/zinc/08/05/69/734080569.db2.gz DICCHRNBDRMZLX-UHFFFAOYSA-N 0 0 365.865 2.991 20 10 FFCDRN COC[C@@H](C)NC(=S)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726493149 734431140 /nfs/dbraw/zinc/43/11/40/734431140.db2.gz CBJKNWVRHBLXMB-GFCCVEGCSA-N 0 0 373.469 2.756 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000726600314 734436620 /nfs/dbraw/zinc/43/66/20/734436620.db2.gz FEDAHIUFWBIIAX-UHFFFAOYSA-N 0 0 364.442 2.782 20 10 FFCDRN CCN1C(=O)/C(=C\c2ccc(N3CCOCC3)c(F)c2)SC1=S ZINC000727263552 734474780 /nfs/dbraw/zinc/47/47/80/734474780.db2.gz DJHCFEKJCJYJFR-GXDHUFHOSA-N 0 0 352.456 2.883 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)N(C)[C@@H](C)C1CC1 ZINC000727449912 734483005 /nfs/dbraw/zinc/48/30/05/734483005.db2.gz XOCWLEZEPMURRR-HNNXBMFYSA-N 0 0 353.532 2.938 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc4c(s3)CCOC4)CC2)cc1 ZINC000728456252 734528604 /nfs/dbraw/zinc/52/86/04/734528604.db2.gz IXMGXAVESDJIHY-UHFFFAOYSA-N 0 0 358.463 2.792 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN(Cc2cccc3cccnc32)CC1 ZINC000732266179 734728496 /nfs/dbraw/zinc/72/84/96/734728496.db2.gz USSJOUBWHJOOHG-UHFFFAOYSA-N 0 0 353.447 2.960 20 10 FFCDRN CCC[C@H](NC(=O)C1=CC(=O)CS1)C(=O)N1CCc2sccc2C1 ZINC000732283867 734730501 /nfs/dbraw/zinc/73/05/01/734730501.db2.gz DGIITWDQUNSFGJ-ZDUSSCGKSA-N 0 0 364.492 2.999 20 10 FFCDRN O=C(OCc1nc(COc2ccc(F)cc2)no1)C1=CC(=O)CS1 ZINC000732354329 734736919 /nfs/dbraw/zinc/73/69/19/734736919.db2.gz JTARGVUVLKTIBZ-UHFFFAOYSA-N 0 0 350.327 2.912 20 10 FFCDRN O=C(NCc1cnn(CC(F)(F)F)c1)NCc1cccc(Cl)c1O ZINC000893703843 734739403 /nfs/dbraw/zinc/73/94/03/734739403.db2.gz UJTJKGDUALBIBR-UHFFFAOYSA-N 0 0 362.739 2.804 20 10 FFCDRN CN(CC(=O)NCCCSc1nccs1)c1ccc(Cl)cn1 ZINC000733972349 734864540 /nfs/dbraw/zinc/86/45/40/734864540.db2.gz DRSAPFIYLHUOMI-UHFFFAOYSA-N 0 0 356.904 2.926 20 10 FFCDRN COC(=O)Cc1csc(NC(=O)NCc2ccc(N(C)C)cc2C)n1 ZINC000734517863 734901499 /nfs/dbraw/zinc/90/14/99/734901499.db2.gz PVRSNWSMQLOEFU-UHFFFAOYSA-N 0 0 362.455 2.555 20 10 FFCDRN COc1ccc(CS(C)(=O)=O)cc1NCc1cc(C)cc(OC)c1O ZINC000894745697 734909029 /nfs/dbraw/zinc/90/90/29/734909029.db2.gz IUBKGRPHSXRVPR-UHFFFAOYSA-N 0 0 365.451 2.875 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c(C)c1C ZINC000735313765 734940820 /nfs/dbraw/zinc/94/08/20/734940820.db2.gz FGURUICRGSUTGE-UHFFFAOYSA-N 0 0 366.458 2.996 20 10 FFCDRN CCOC(=O)c1ncc(Br)c(N2Cc3cccc(O)c3C2)n1 ZINC000894990904 734949350 /nfs/dbraw/zinc/94/93/50/734949350.db2.gz JOKNHYXIQXLZJB-UHFFFAOYSA-N 0 0 364.199 2.642 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000895228164 734976369 /nfs/dbraw/zinc/97/63/69/734976369.db2.gz JFBRSUALRVTPBK-SNVBAGLBSA-N 0 0 371.666 2.922 20 10 FFCDRN CC(=O)Nc1ccc(O)c(C(=O)NCCCSc2nccs2)c1 ZINC000736680621 734993033 /nfs/dbraw/zinc/99/30/33/734993033.db2.gz APPHGJSSSAKXPG-UHFFFAOYSA-N 0 0 351.453 2.719 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(CSC)cc2)c1O ZINC000737286403 735005902 /nfs/dbraw/zinc/00/59/02/735005902.db2.gz ZBIZFBJOORNGID-UHFFFAOYSA-N 0 0 360.435 2.519 20 10 FFCDRN COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Br)cc(C)c1O ZINC000895865632 735066988 /nfs/dbraw/zinc/06/69/88/735066988.db2.gz UILOFRXDJQFZIN-ZIAGYGMSSA-N 0 0 372.259 2.663 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cncs1 ZINC000895878775 735068701 /nfs/dbraw/zinc/06/87/01/735068701.db2.gz QEWYLPLHLYBOLH-ZDUSSCGKSA-N 0 0 360.483 2.665 20 10 FFCDRN O=C(N[C@H]1CCN(CC(F)(F)F)C1)c1cc2cc(O)c(O)cc2s1 ZINC000895984199 735083608 /nfs/dbraw/zinc/08/36/08/735083608.db2.gz BHPKCNUYSMWYQR-VIFPVBQESA-N 0 0 360.357 2.679 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000896281218 735131759 /nfs/dbraw/zinc/13/17/59/735131759.db2.gz UIHUBZQJDMVXLF-GXSJLCMTSA-N 0 0 350.293 2.509 20 10 FFCDRN O=C(COC(=O)C(F)(F)c1c(F)cccc1F)c1ccc(O)c(O)c1 ZINC000784385582 738885613 /nfs/dbraw/zinc/88/56/13/738885613.db2.gz JMAHVIAPOIFVIP-UHFFFAOYSA-N 0 0 358.243 2.894 20 10 FFCDRN Cn1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1C1CC1 ZINC000742047806 735199207 /nfs/dbraw/zinc/19/92/07/735199207.db2.gz LLFSFPRZBLKRDD-UHFFFAOYSA-N 0 0 356.495 2.781 20 10 FFCDRN CC(C)CS(=O)(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742334544 735229774 /nfs/dbraw/zinc/22/97/74/735229774.db2.gz PEVRMUKYCIOKQR-ZDUSSCGKSA-N 0 0 362.442 2.832 20 10 FFCDRN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@]2(CCCOC2)O1 ZINC000897634104 735258324 /nfs/dbraw/zinc/25/83/24/735258324.db2.gz DJLLDRHSYSOYHE-VOJFVSQTSA-N 0 0 363.435 2.723 20 10 FFCDRN C[C@H]1CC2(CC(NC(=O)NCc3cccc(Br)c3O)C2)CO1 ZINC000897810843 735279846 /nfs/dbraw/zinc/27/98/46/735279846.db2.gz ONSPGHHHXKTBGM-LWOUBBNUSA-N 0 0 369.259 2.912 20 10 FFCDRN CCNC(=O)[C@@H](C)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000747587749 735571626 /nfs/dbraw/zinc/57/16/26/735571626.db2.gz BRAFLIANYKZSEJ-CYBMUJFWSA-N 0 0 361.873 2.931 20 10 FFCDRN Cc1cc(Cl)cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1O ZINC000747934155 735603935 /nfs/dbraw/zinc/60/39/35/735603935.db2.gz IDGRPCBZSXANCG-UHFFFAOYSA-N 0 0 370.814 2.683 20 10 FFCDRN COC(=O)[C@H](C)CS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000751136583 735848377 /nfs/dbraw/zinc/84/83/77/735848377.db2.gz IYCRUSQCEAGLGV-CQSZACIVSA-N 0 0 369.483 2.666 20 10 FFCDRN Cn1c(Cl)ncc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000751355516 735865648 /nfs/dbraw/zinc/86/56/48/735865648.db2.gz FMMLBUKQUYYMBA-UHFFFAOYSA-N 0 0 369.874 2.913 20 10 FFCDRN CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C)c(O)c1O ZINC000751533602 735891708 /nfs/dbraw/zinc/89/17/08/735891708.db2.gz OVDRTGJLRAGTJC-UHFFFAOYSA-N 0 0 360.435 2.839 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)OCc3noc(C4CC4)n3)cs2)cc1 ZINC000751932575 735937250 /nfs/dbraw/zinc/93/72/50/735937250.db2.gz UVORBFQRDXWUAD-UHFFFAOYSA-N 0 0 356.407 2.934 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3nnc(-c4cscn4)o3)ccc21 ZINC000902623802 735971771 /nfs/dbraw/zinc/97/17/71/735971771.db2.gz XGTHMLSTJRBXFC-UHFFFAOYSA-N 0 0 355.423 2.506 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000903173158 736048104 /nfs/dbraw/zinc/04/81/04/736048104.db2.gz KBWJVDLKHYZHQW-ZDUSSCGKSA-N 0 0 366.458 2.774 20 10 FFCDRN C[C@@H]([NH2+]CCN1CCCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000903228458 736060464 /nfs/dbraw/zinc/06/04/64/736060464.db2.gz QZDZKZWBSNFASR-LLVKDONJSA-N 0 0 361.255 2.667 20 10 FFCDRN CCOC(=O)c1sc([C@H](C)NC(=O)c2cccc(O)c2O)nc1C ZINC000790875214 739507710 /nfs/dbraw/zinc/50/77/10/739507710.db2.gz DXUKSWJALNKFEB-VIFPVBQESA-N 0 0 350.396 2.530 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC000753855974 736101663 /nfs/dbraw/zinc/10/16/63/736101663.db2.gz LJWIFGYJGVNXOC-JKSUJKDBSA-N 0 0 371.886 2.790 20 10 FFCDRN CN(C)C(=O)c1cc(NC(=O)NCCCSc2nccs2)ccn1 ZINC000753944054 736109167 /nfs/dbraw/zinc/10/91/67/736109167.db2.gz QHGYVHBQEMXGKW-UHFFFAOYSA-N 0 0 365.484 2.544 20 10 FFCDRN CC(C)n1cnc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000753999970 736114072 /nfs/dbraw/zinc/11/40/72/736114072.db2.gz HZJFHADUQPNYDU-UHFFFAOYSA-N 0 0 362.499 2.933 20 10 FFCDRN COc1cc(C)cc(CN2CCS(=O)(=O)C3(CCCCC3)C2)c1O ZINC000754739751 736192682 /nfs/dbraw/zinc/19/26/82/736192682.db2.gz NWWXLAXPDBGZMS-UHFFFAOYSA-N 0 0 353.484 2.643 20 10 FFCDRN CN(C)c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000755071509 736230699 /nfs/dbraw/zinc/23/06/99/736230699.db2.gz SWQVNLUMKLOXRY-UHFFFAOYSA-N 0 0 359.495 2.831 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000756434437 736330567 /nfs/dbraw/zinc/33/05/67/736330567.db2.gz NNSHRCCTMWFCKS-PSASIEDQSA-N 0 0 350.640 2.874 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@]1(C)CCCS1(=O)=O ZINC000905460768 736343601 /nfs/dbraw/zinc/34/36/01/736343601.db2.gz PMIYEDQQCRIYMO-LJQANCHMSA-N 0 0 364.511 2.603 20 10 FFCDRN COC[C@@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756595071 736345828 /nfs/dbraw/zinc/34/58/28/736345828.db2.gz SSNZBKQITJYIGZ-WCBMZHEXSA-N 0 0 352.656 2.856 20 10 FFCDRN C[C@@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Br)c(F)cc1[O-] ZINC000756635773 736349240 /nfs/dbraw/zinc/34/92/40/736349240.db2.gz HKYCAQDKMAOVSR-OQPBUACISA-N 0 0 350.253 2.812 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000756741263 736357222 /nfs/dbraw/zinc/35/72/22/736357222.db2.gz WTZIKOWPOJVBOB-QFYYESIMSA-N 0 0 351.349 2.841 20 10 FFCDRN C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756768332 736360157 /nfs/dbraw/zinc/36/01/57/736360157.db2.gz CPMKKCKMJZJJOW-OQPBUACISA-N 0 0 350.640 2.610 20 10 FFCDRN COc1ccc(N(C)CC(=O)NC(=O)N[C@@H]2CCCC[C@H]2C)cc1F ZINC000757853260 736430948 /nfs/dbraw/zinc/43/09/48/736430948.db2.gz ZIBBSSGEYBPGGM-IUODEOHRSA-N 0 0 351.422 2.675 20 10 FFCDRN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000758169557 736458159 /nfs/dbraw/zinc/45/81/59/736458159.db2.gz SNRJIBYHTBPALS-UHFFFAOYSA-N 0 0 366.414 2.814 20 10 FFCDRN O=C(OCc1cn2cc(Br)ccc2n1)c1cccc(O)c1O ZINC000758563796 736501760 /nfs/dbraw/zinc/50/17/60/736501760.db2.gz XRQAYRLFDDFFMI-UHFFFAOYSA-N 0 0 363.167 2.865 20 10 FFCDRN COc1ccc(Cl)cc1NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O ZINC000758561958 736501854 /nfs/dbraw/zinc/50/18/54/736501854.db2.gz PFHPVDXNUWREOP-VIFPVBQESA-N 0 0 365.769 2.944 20 10 FFCDRN COC(=O)c1cc(NC(=O)NCCCSc2nccs2)cn1C ZINC000759516299 736574502 /nfs/dbraw/zinc/57/45/02/736574502.db2.gz ZIBYQCGTRGMOBM-UHFFFAOYSA-N 0 0 354.457 2.572 20 10 FFCDRN C[C@@H](C[C@@H]1CCOC1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000759727412 736588990 /nfs/dbraw/zinc/58/89/90/736588990.db2.gz MCXOLDLEOLWZEJ-RDJZCZTQSA-N 0 0 363.527 2.854 20 10 FFCDRN CCO[C@@H]1C[C@@]2(NC(=O)N(CCCSc3nccs3)C2=O)C1(C)C ZINC000761298399 736719565 /nfs/dbraw/zinc/71/95/65/736719565.db2.gz MWYZDMPMOHCKFG-BZNIZROVSA-N 0 0 369.512 2.751 20 10 FFCDRN Cc1ccc(F)cc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000761623042 736748922 /nfs/dbraw/zinc/74/89/22/736748922.db2.gz WGTGERADKWLPRR-UHFFFAOYSA-N 0 0 363.370 2.928 20 10 FFCDRN COCCOc1ccc(S(=O)(=O)NCc2cccc(Cl)c2O)cc1 ZINC000908327876 736758640 /nfs/dbraw/zinc/75/86/40/736758640.db2.gz HXHRXKDLMIKRRR-UHFFFAOYSA-N 0 0 371.842 2.549 20 10 FFCDRN C[C@H]([C@H]1CCCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762317041 736813716 /nfs/dbraw/zinc/81/37/16/736813716.db2.gz GZDNYCAESNSHKU-NEPJUHHUSA-N 0 0 352.818 2.625 20 10 FFCDRN CCc1csc(-n2cc(C(=O)NCc3cccc(OC)c3O)cn2)n1 ZINC000763044623 736894729 /nfs/dbraw/zinc/89/47/29/736894729.db2.gz DMIGKCXSDUSTIT-UHFFFAOYSA-N 0 0 358.423 2.535 20 10 FFCDRN COc1cc(Br)cc(CN2CC[C@H](C)[S@](=O)CC2)c1O ZINC000763489052 736941480 /nfs/dbraw/zinc/94/14/80/736941480.db2.gz UMHSLRNYAIEBFI-WVDJIFEKSA-N 0 0 362.289 2.506 20 10 FFCDRN COc1cccc(O)c1CN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC000763620501 736953550 /nfs/dbraw/zinc/95/35/50/736953550.db2.gz SRQPSKUJJMBLGU-UHFFFAOYSA-N 0 0 353.344 2.535 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCC(F)(F)C3)CC2)cc1F ZINC000763709892 736961880 /nfs/dbraw/zinc/96/18/80/736961880.db2.gz XTGPZVJAJIQVSE-LBPRGKRZSA-N 0 0 357.376 2.854 20 10 FFCDRN NC(=O)c1ccc(NCc2cccc(Br)c2O)c([N+](=O)[O-])c1 ZINC000764934872 737065193 /nfs/dbraw/zinc/06/51/93/737065193.db2.gz PNJSKNYNDPQZAR-UHFFFAOYSA-N 0 0 366.171 2.774 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)C1(c2cncc(Br)c2)CC1 ZINC000910946320 737148435 /nfs/dbraw/zinc/14/84/35/737148435.db2.gz LKMTZOZXCTYSAM-UHFFFAOYSA-N 0 0 363.211 2.603 20 10 FFCDRN O=C(COc1ccccc1O)NCc1cccc(Br)c1O ZINC000765725934 737149533 /nfs/dbraw/zinc/14/95/33/737149533.db2.gz AJQBWVGHWZDKFX-UHFFFAOYSA-N 0 0 352.184 2.556 20 10 FFCDRN C[C@@](O)(Cc1ccccc1)C(=O)NCc1cccc(Br)c1O ZINC000765733343 737150738 /nfs/dbraw/zinc/15/07/38/737150738.db2.gz XSKUGPQAORGDOV-QGZVFWFLSA-N 0 0 364.239 2.765 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cc(-n2cccn2)ccn1 ZINC000765737667 737151277 /nfs/dbraw/zinc/15/12/77/737151277.db2.gz VISDPHGTJFRJDQ-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN Cn1nc(C(=O)NCc2cccc(Br)c2O)cc1C1CC1 ZINC000765755172 737154314 /nfs/dbraw/zinc/15/43/14/737154314.db2.gz HSIYDUCTLRPLMN-UHFFFAOYSA-N 0 0 350.216 2.696 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)[C@@H]1COc2ccccc2O1 ZINC000765756883 737154863 /nfs/dbraw/zinc/15/48/63/737154863.db2.gz NZDVUHYZSXWGRW-AWEZNQCLSA-N 0 0 364.195 2.611 20 10 FFCDRN CC(C)n1cc(Br)c(C(=O)NCCc2ccc(N)cc2)n1 ZINC000911781793 737233326 /nfs/dbraw/zinc/23/33/26/737233326.db2.gz ABVJPWRETRIXDJ-UHFFFAOYSA-N 0 0 351.248 2.781 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc[n+]([O-])c2)cc1 ZINC000912106790 737265795 /nfs/dbraw/zinc/26/57/95/737265795.db2.gz OOMUQKPLIJCMPI-UHFFFAOYSA-N 0 0 353.344 2.591 20 10 FFCDRN CSCC[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912107467 737265944 /nfs/dbraw/zinc/26/59/44/737265944.db2.gz USVFHRVSPPHXNF-AWEZNQCLSA-N 0 0 364.433 2.758 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H](CO)c2ccc(Br)cc2)c1 ZINC000767427411 737324744 /nfs/dbraw/zinc/32/47/44/737324744.db2.gz ZTZOITGRLHMGAV-CQSZACIVSA-N 0 0 367.199 2.886 20 10 FFCDRN [O-]c1c(Br)cccc1CN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000768250749 737409099 /nfs/dbraw/zinc/40/90/99/737409099.db2.gz CVPLINDQPZOROH-OAHLLOKOSA-N 0 0 369.303 2.841 20 10 FFCDRN CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC(C)(C)C1 ZINC000768646835 737444977 /nfs/dbraw/zinc/44/49/77/737444977.db2.gz DQUWBSOICAHPPM-UHFFFAOYSA-N 0 0 354.472 2.662 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)C1(COCc2ccccc2)CC1 ZINC000914144681 737514897 /nfs/dbraw/zinc/51/48/97/737514897.db2.gz GBFXTVAKBSOMGS-UHFFFAOYSA-N 0 0 361.463 2.903 20 10 FFCDRN COc1cccc(CNS(=O)(=O)[C@@H]2C[C@H]2c2cccc(F)c2)c1O ZINC000914152407 737516565 /nfs/dbraw/zinc/51/65/65/737516565.db2.gz AUQTWOLMMIZVIO-GOEBONIOSA-N 0 0 351.399 2.515 20 10 FFCDRN C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000769381472 737522676 /nfs/dbraw/zinc/52/26/76/737522676.db2.gz ONZAGMCRTBQXRS-OAHLLOKOSA-N 0 0 358.313 2.911 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C(F)(F)F)O1 ZINC000769494980 737535248 /nfs/dbraw/zinc/53/52/48/737535248.db2.gz DKGGHSOMVCUMPM-MLGOLLRUSA-N 0 0 362.367 2.814 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000769639693 737548577 /nfs/dbraw/zinc/54/85/77/737548577.db2.gz TXCFBPXSWSFYEC-MGPQQGTHSA-N 0 0 366.483 2.852 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2csc(=O)[nH]2)cc1 ZINC000769692937 737554347 /nfs/dbraw/zinc/55/43/47/737554347.db2.gz VPFWIBCKQXBKFI-OAHLLOKOSA-N 0 0 361.467 2.736 20 10 FFCDRN Cn1ccnc1[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000770741478 737659319 /nfs/dbraw/zinc/65/93/19/737659319.db2.gz VXOAUXOLLQDWOZ-CYBMUJFWSA-N 0 0 365.528 2.948 20 10 FFCDRN O=C(Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1)C(F)(F)F ZINC000917716150 737773169 /nfs/dbraw/zinc/77/31/69/737773169.db2.gz RFYYUHVKPMUDNG-UHFFFAOYSA-N 0 0 360.313 2.694 20 10 FFCDRN COC(=O)c1ccc(C(=O)NCCCSc2nccs2)c(F)c1 ZINC000772981147 737861518 /nfs/dbraw/zinc/86/15/18/737861518.db2.gz BQRSEDVPAVDQNC-UHFFFAOYSA-N 0 0 354.428 2.981 20 10 FFCDRN C[C@@H](NC(=O)CCn1cc(Br)cn1)c1ccc(N(C)C)cc1 ZINC000773016177 737863911 /nfs/dbraw/zinc/86/39/11/737863911.db2.gz RMXOJWFFZJMKNW-GFCCVEGCSA-N 0 0 365.275 2.979 20 10 FFCDRN COc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773087180 737870110 /nfs/dbraw/zinc/87/01/10/737870110.db2.gz GRPMGAOFJZZJCW-ZDUSSCGKSA-N 0 0 364.467 2.809 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000773251483 737885132 /nfs/dbraw/zinc/88/51/32/737885132.db2.gz KJPUUGVVBJJYSA-UHFFFAOYSA-N 0 0 353.371 2.681 20 10 FFCDRN COC[C@H](C)OC[C@@H](O)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000773764697 737933750 /nfs/dbraw/zinc/93/37/50/737933750.db2.gz BPNMMOJQLKCALK-JSGCOSHPSA-N 0 0 363.376 2.750 20 10 FFCDRN CCC[C@@H](NC=C1C(=O)N(CC)C(=S)N(CC)C1=O)c1ccccc1 ZINC000920979470 737937836 /nfs/dbraw/zinc/93/78/36/737937836.db2.gz OKBMNLANOVQJSC-MRXNPFEDSA-N 0 0 359.495 2.997 20 10 FFCDRN CSc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000773854515 737939652 /nfs/dbraw/zinc/93/96/52/737939652.db2.gz DCQWCJMBEVKJNS-GFCCVEGCSA-N 0 0 358.467 2.685 20 10 FFCDRN C[C@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000773990651 737951845 /nfs/dbraw/zinc/95/18/45/737951845.db2.gz WCGQQAZJCFFPAP-SWLSCSKDSA-N 0 0 360.483 2.791 20 10 FFCDRN C[C@H](NC(=O)C[C@H](NC(N)=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000773990653 737952008 /nfs/dbraw/zinc/95/20/08/737952008.db2.gz WCGQQAZJCFFPAP-WFASDCNBSA-N 0 0 360.483 2.791 20 10 FFCDRN CC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000921447543 737985740 /nfs/dbraw/zinc/98/57/40/737985740.db2.gz MDEPHKKTERZYHE-LBPRGKRZSA-N 0 0 370.544 2.714 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc(Cl)cc1 ZINC000774431490 737988938 /nfs/dbraw/zinc/98/89/38/737988938.db2.gz OGFUONXMOCTVBA-UHFFFAOYSA-N 0 0 359.857 2.647 20 10 FFCDRN Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(C)c(C)c1O ZINC000774828656 738030567 /nfs/dbraw/zinc/03/05/67/738030567.db2.gz LXHYROWULHJWSF-UHFFFAOYSA-N 0 0 364.423 2.647 20 10 FFCDRN COc1c(O)c(CN2CCC[C@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774876987 738034912 /nfs/dbraw/zinc/03/49/12/738034912.db2.gz HHNKIKGLVSJDBE-ZDUSSCGKSA-N 0 0 352.387 2.615 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)ccc1[N+](=O)[O-] ZINC000775049144 738056867 /nfs/dbraw/zinc/05/68/67/738056867.db2.gz WUVCXSZSECYCTF-IFUGULHKSA-N 0 0 356.469 2.778 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000775150910 738065925 /nfs/dbraw/zinc/06/59/25/738065925.db2.gz CKMCCDGJDDIMFF-UHFFFAOYSA-N 0 0 352.184 2.879 20 10 FFCDRN O=C(NCC(F)(F)F)C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000775654452 738109599 /nfs/dbraw/zinc/10/95/99/738109599.db2.gz KXMNFBWTIKEGNZ-UHFFFAOYSA-N 0 0 350.768 2.936 20 10 FFCDRN COc1ccc(O)c(CN2CCN(Cc3cccc(Cl)c3)C(=O)C2)c1 ZINC000775737822 738119625 /nfs/dbraw/zinc/11/96/25/738119625.db2.gz MSPLZLOHBMRPJP-UHFFFAOYSA-N 0 0 360.841 2.899 20 10 FFCDRN COC(=O)[C@@H]1C[C@H](C)CCN1Cc1cc(Br)cc(OC)c1O ZINC000776002480 738151241 /nfs/dbraw/zinc/15/12/41/738151241.db2.gz UARPFDZGRVMGLT-MFKMUULPSA-N 0 0 372.259 2.937 20 10 FFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000776010901 738151615 /nfs/dbraw/zinc/15/16/15/738151615.db2.gz WYYNYECMWNOJLS-UHFFFAOYSA-N 0 0 351.809 2.706 20 10 FFCDRN C[C@H](Nc1cnn(CCO)c1)c1ccc(N2CCOCC2)cc1Cl ZINC000777274496 738275838 /nfs/dbraw/zinc/27/58/38/738275838.db2.gz JJSZOVHKOQXESD-ZDUSSCGKSA-N 0 0 350.850 2.539 20 10 FFCDRN COC(=O)CN(CC(=O)c1cc(C)[nH]c1C)Cc1cc(Cl)ccc1O ZINC000777613908 738305895 /nfs/dbraw/zinc/30/58/95/738305895.db2.gz TYPGYBUHSHIVSO-UHFFFAOYSA-N 0 0 364.829 2.848 20 10 FFCDRN CC(C)CN(C)S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000777954989 738334868 /nfs/dbraw/zinc/33/48/68/738334868.db2.gz HIBMNRRTXAVNLY-UHFFFAOYSA-N 0 0 353.532 2.941 20 10 FFCDRN CO[C@H](CCNC(=O)NCc1ccc(N(C)C)c(F)c1)C(F)(F)F ZINC000786731610 739073207 /nfs/dbraw/zinc/07/32/07/739073207.db2.gz DDZRAZHJOYZUME-CYBMUJFWSA-N 0 0 351.344 2.658 20 10 FFCDRN CC[NH+](CC)Cc1ccc([N-]S(=O)(=O)c2cccc3nonc32)cc1 ZINC000786887079 739085932 /nfs/dbraw/zinc/08/59/32/739085932.db2.gz DMLIQAZKTFMNPH-UHFFFAOYSA-N 0 0 360.439 2.865 20 10 FFCDRN Cc1cc(C(=O)CSc2n[nH]c(CO)n2)c(C)n1-c1ccc(C)cc1 ZINC000787487514 739140855 /nfs/dbraw/zinc/14/08/55/739140855.db2.gz VWOATDDDPDBZPI-UHFFFAOYSA-N 0 0 356.451 2.988 20 10 FFCDRN Cc1cnc(Cl)c(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000787882415 739183309 /nfs/dbraw/zinc/18/33/09/739183309.db2.gz NMTJTNHOLBGOEP-UHFFFAOYSA-N 0 0 364.808 2.503 20 10 FFCDRN Cc1[nH]nc(Br)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000931146332 739219223 /nfs/dbraw/zinc/21/92/23/739219223.db2.gz DOOIKLYKAFXXNQ-UHFFFAOYSA-N 0 0 355.211 2.616 20 10 FFCDRN CCOC(CC(=O)NC1CCN(c2ccc(OC)cc2)CC1)OCC ZINC000788655688 739268839 /nfs/dbraw/zinc/26/88/39/739268839.db2.gz PJHAGJNHCUMAGW-UHFFFAOYSA-N 0 0 350.459 2.569 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)OC[C@@H]1CCS(=O)(=O)C1 ZINC000788923100 739298151 /nfs/dbraw/zinc/29/81/51/739298151.db2.gz MEDGYVAWAHAKKR-INIZCTEOSA-N 0 0 361.463 2.994 20 10 FFCDRN CC[C@H](CSC)N(C)C(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000788976318 739305488 /nfs/dbraw/zinc/30/54/88/739305488.db2.gz WYXHVVGPTDUMGS-MRXNPFEDSA-N 0 0 365.543 2.749 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2nc(C(C)C)cs2)c1 ZINC000789465036 739356058 /nfs/dbraw/zinc/35/60/58/739356058.db2.gz OWHUXYMHWYJDJW-SNVBAGLBSA-N 0 0 363.439 2.797 20 10 FFCDRN CCc1csc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000789554605 739367746 /nfs/dbraw/zinc/36/77/46/739367746.db2.gz UXDRBNQXNSVMKJ-UHFFFAOYSA-N 0 0 359.451 2.545 20 10 FFCDRN COC[C@](C)(NC(=O)NCCCSc1nccs1)C(F)(F)F ZINC000932335685 739434416 /nfs/dbraw/zinc/43/44/16/739434416.db2.gz LOJUOSPGPGCMEG-NSHDSACASA-N 0 0 357.423 2.892 20 10 FFCDRN C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)O2 ZINC000790931298 739515576 /nfs/dbraw/zinc/51/55/76/739515576.db2.gz GGYZSOIRTRTDAX-OHUAYANFSA-N 0 0 356.806 2.722 20 10 FFCDRN C[C@@H](CNC(=O)NCCCSc1nccs1)NC(=O)OC(C)(C)C ZINC000792128112 739641274 /nfs/dbraw/zinc/64/12/74/739641274.db2.gz FKQQROMCDBQERQ-NSHDSACASA-N 0 0 374.532 2.838 20 10 FFCDRN CN(C)c1ccc(CN(C)C[C@@H]2CCS(=O)(=O)C2)c(C(F)(F)F)c1 ZINC000792829599 739711151 /nfs/dbraw/zinc/71/11/51/739711151.db2.gz POFVTXSCICYKHX-LBPRGKRZSA-N 0 0 364.433 2.638 20 10 FFCDRN CC[C@H](C)[C@H](OC)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000793771816 739812420 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[O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000835080585 745946922 /nfs/dbraw/zinc/94/69/22/745946922.db2.gz WDVMSLGBFPHHTF-GHMZBOCLSA-N 0 0 365.065 2.920 20 10 FFCDRN CO[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H]1C ZINC000836243156 746173302 /nfs/dbraw/zinc/17/33/02/746173302.db2.gz UWXZKVKMDVBGNH-MAUKXSAKSA-N 0 0 363.527 2.806 20 10 FFCDRN CCC[C@H](CNC(=O)NCc1ccc(N2CCSCC2)cc1)OC ZINC000836243363 746173761 /nfs/dbraw/zinc/17/37/61/746173761.db2.gz VZCAZEFNYJKURW-QGZVFWFLSA-N 0 0 351.516 2.854 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000837120897 746370536 /nfs/dbraw/zinc/37/05/36/746370536.db2.gz GXEQEESVDVRSSX-NWDGAFQWSA-N 0 0 350.415 2.521 20 10 FFCDRN CC[C@H](NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)NC ZINC000837162246 746382548 /nfs/dbraw/zinc/38/25/48/746382548.db2.gz ISYMCSRNEZJMJP-KRWDZBQOSA-N 0 0 361.873 2.931 20 10 FFCDRN CO[C@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837454489 746450007 /nfs/dbraw/zinc/45/00/07/746450007.db2.gz 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CC(C)SCCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838591545 746672315 /nfs/dbraw/zinc/67/23/15/746672315.db2.gz JMTCLZCHOPBTLH-UHFFFAOYSA-N 0 0 373.469 2.742 20 10 FFCDRN C[C@H]1CCCCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838746433 746705450 /nfs/dbraw/zinc/70/54/50/746705450.db2.gz IGDWDUWJIKJNMB-ZDUSSCGKSA-N 0 0 353.413 2.885 20 10 FFCDRN CC[C@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838746183 746705569 /nfs/dbraw/zinc/70/55/69/746705569.db2.gz GOUCVIBWSYZTDI-ZDUSSCGKSA-N 0 0 353.413 2.743 20 10 FFCDRN CNC(=O)C1CN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000839144709 746787333 /nfs/dbraw/zinc/78/73/33/746787333.db2.gz UUSYDDJFIOEQAF-UHFFFAOYSA-N 0 0 366.303 2.617 20 10 FFCDRN COCc1ccc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)o1 ZINC000839146822 746788234 /nfs/dbraw/zinc/78/82/34/746788234.db2.gz WKFLNHPLMVWLBV-UHFFFAOYSA-N 0 0 352.381 2.831 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(C)c1OC ZINC000839695092 746896294 /nfs/dbraw/zinc/89/62/94/746896294.db2.gz XWKKXKOVFLJIEQ-UHFFFAOYSA-N 0 0 368.231 2.559 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])cc2Cl)C1 ZINC000839758761 746912810 /nfs/dbraw/zinc/91/28/10/746912810.db2.gz YOAFJIRTDKAWMH-AXAPSJFSSA-N 0 0 351.834 2.858 20 10 FFCDRN Cc1cc(CC(=O)NC[C@@H]2CNC(=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000839810440 746928333 /nfs/dbraw/zinc/92/83/33/746928333.db2.gz VVXRFMAKGRGYBU-AWEZNQCLSA-N 0 0 359.857 2.542 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CNC(=O)c1cccs1 ZINC000839916089 746960086 /nfs/dbraw/zinc/96/00/86/746960086.db2.gz OBVOSVLVYDMIBD-AWEZNQCLSA-N 0 0 359.495 2.600 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N2CCSCC2)cc1)C(=O)OC(C)(C)C ZINC000840272152 747053101 /nfs/dbraw/zinc/05/31/01/747053101.db2.gz KUZFMOCFWFOGEX-AWEZNQCLSA-N 0 0 364.511 2.834 20 10 FFCDRN CCOc1cc(NCc2cc(F)c(N3CCOCC3)c(F)c2)ncn1 ZINC000840326779 747066389 /nfs/dbraw/zinc/06/63/89/747066389.db2.gz WMCSPMVPFAYRTN-UHFFFAOYSA-N 0 0 350.369 2.602 20 10 FFCDRN COC1([C@H](C)NC(=O)NCc2cccc(Br)c2O)CCC1 ZINC000840457312 747098280 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FFCDRN Cc1noc(C)c1S(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841569930 747406702 /nfs/dbraw/zinc/40/67/02/747406702.db2.gz OTRVYZXBMKDIOQ-GFCCVEGCSA-N 0 0 351.472 2.575 20 10 FFCDRN COc1cccc(O)c1CNc1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC000842217123 747550797 /nfs/dbraw/zinc/55/07/97/747550797.db2.gz SQIGFTGSZPXQKH-UHFFFAOYSA-N 0 0 366.414 2.593 20 10 FFCDRN Cc1cc(CC(=O)OC[C@]2(O)CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000842388911 747586663 /nfs/dbraw/zinc/58/66/63/747586663.db2.gz XLGMBORXOKWRPJ-IBGZPJMESA-N 0 0 363.841 2.985 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)c1 ZINC000842758970 747680291 /nfs/dbraw/zinc/68/02/91/747680291.db2.gz OZXQVFGALNGDAU-INIZCTEOSA-N 0 0 358.276 2.730 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CSc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000843418759 747833158 /nfs/dbraw/zinc/83/31/58/747833158.db2.gz XXSSJODQNPOTTE-GFCCVEGCSA-N 0 0 362.407 2.952 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@]3(CCSC3)C2)c1O ZINC000843418028 747833345 /nfs/dbraw/zinc/83/33/45/747833345.db2.gz 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/nfs/dbraw/zinc/18/95/52/748189552.db2.gz ALWMNVNRWWRVER-UHFFFAOYSA-N 0 0 351.491 2.714 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC1CCN(c2nccs2)CC1 ZINC000845172311 748196507 /nfs/dbraw/zinc/19/65/07/748196507.db2.gz OQOKYNSXOLNRSW-UHFFFAOYSA-N 0 0 366.874 2.970 20 10 FFCDRN CO[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)C(F)(F)F ZINC000845228336 748207369 /nfs/dbraw/zinc/20/73/69/748207369.db2.gz DYTAPKBPNYYHIJ-AWEZNQCLSA-N 0 0 362.417 2.823 20 10 FFCDRN O=C(COC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(O)c(O)c1 ZINC000845316012 748225816 /nfs/dbraw/zinc/22/58/16/748225816.db2.gz FAMCKYHVIKRTFA-QWRGUYRKSA-N 0 0 362.300 2.571 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@]2(CO)CCc3ccccc32)c1[O-] ZINC000846011717 748382208 /nfs/dbraw/zinc/38/22/08/748382208.db2.gz ORCYSMKZWVNGRT-GOSISDBHSA-N 0 0 362.813 2.920 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H](CO)CCF ZINC000846099795 748406791 /nfs/dbraw/zinc/40/67/91/748406791.db2.gz IYACEYIDFBSLBX-VIFPVBQESA-N 0 0 371.044 2.727 20 10 FFCDRN Cc1cc(Br)cc(CN2CC(C)(C)O[C@@H]3COC[C@H]32)c1O ZINC000846119101 748411159 /nfs/dbraw/zinc/41/11/59/748411159.db2.gz XLSCDBHFRIMOLO-ZIAGYGMSSA-N 0 0 356.260 2.841 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2nnc([C@@H]3CCCS3)n2C)cc1 ZINC000846296128 748453528 /nfs/dbraw/zinc/45/35/28/748453528.db2.gz PFMBBUADHIZVJY-INIZCTEOSA-N 0 0 361.515 2.964 20 10 FFCDRN Cc1cc(C(=O)N2CCCCN2)c(C)n1-c1ccc(Br)cn1 ZINC000846684831 748524193 /nfs/dbraw/zinc/52/41/93/748524193.db2.gz TZFFGXNBSXYDAF-UHFFFAOYSA-N 0 0 363.259 2.992 20 10 FFCDRN C[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1nnc2n1CCCCC2 ZINC000846702972 748526611 /nfs/dbraw/zinc/52/66/11/748526611.db2.gz HNNISEVUHSDMHK-NSHDSACASA-N 0 0 363.849 2.924 20 10 FFCDRN C/C(=C\c1cccnc1)C(=O)N1CCCc2ccc(S(C)(=O)=O)cc21 ZINC000846847525 748557425 /nfs/dbraw/zinc/55/74/25/748557425.db2.gz JJBMFEPPELZAGZ-SDNWHVSQSA-N 0 0 356.447 2.868 20 10 FFCDRN CN(C[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(-c2nccs2)cc1 ZINC000846991125 748593656 /nfs/dbraw/zinc/59/36/56/748593656.db2.gz DHNDNKXUVULGLZ-CQSZACIVSA-N 0 0 365.524 2.918 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C[C@H](c2nccn2C)C(F)(F)F)cc1 ZINC000847296360 748671804 /nfs/dbraw/zinc/67/18/04/748671804.db2.gz FTLXOZMLHLTGGO-CQSZACIVSA-N 0 0 354.376 2.839 20 10 FFCDRN CN(c1ccc(CNC(=O)[C@H]2CCCS2(=O)=O)cc1)C1CCCCC1 ZINC000847398653 748692970 /nfs/dbraw/zinc/69/29/70/748692970.db2.gz GWUUPMVUQPWJCU-GOSISDBHSA-N 0 0 364.511 2.649 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[C@H]3C(N)=O)cc2Cl)C1 ZINC000848037016 748832408 /nfs/dbraw/zinc/83/24/08/748832408.db2.gz OSMXVSMMMZIBSA-BPLDGKMQSA-N 0 0 363.889 2.704 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)CC3)c1 ZINC000848436743 748925476 /nfs/dbraw/zinc/92/54/76/748925476.db2.gz BVKVOYUZTBVSOQ-LLVKDONJSA-N 0 0 361.419 2.569 20 10 FFCDRN C[C@@H](NCc1nnn(C(C)(C)C)n1)c1ccc(Br)cc1O ZINC000848561046 748960991 /nfs/dbraw/zinc/96/09/91/748960991.db2.gz ONQXGEHAKOCXHM-SECBINFHSA-N 0 0 354.252 2.747 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c1[O-] ZINC000848930689 749037338 /nfs/dbraw/zinc/03/73/38/749037338.db2.gz VJEBGDKHBVVDHJ-OAHLLOKOSA-N 0 0 369.849 2.641 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@H](OC)C2CCCC2)c1 ZINC000849375857 749119811 /nfs/dbraw/zinc/11/98/11/749119811.db2.gz GJSFIBIARJBJCS-PXAZEXFGSA-N 0 0 357.472 2.586 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccccc3Cl)C2)cc1 ZINC000849416363 749142764 /nfs/dbraw/zinc/14/27/64/749142764.db2.gz PYCJUPCKUCFYAX-CYBMUJFWSA-N 0 0 366.870 2.906 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cc(C)sc3C)C2)cc1 ZINC000849415854 749142797 /nfs/dbraw/zinc/14/27/97/749142797.db2.gz GJBAOBZJUNJZCY-CQSZACIVSA-N 0 0 366.508 2.931 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CSC2CCC3(CC2)OCCO3)cc1 ZINC000849937705 749262666 /nfs/dbraw/zinc/26/26/66/749262666.db2.gz RBDJHCFOQDGJDL-UHFFFAOYSA-N 0 0 364.511 2.788 20 10 FFCDRN O=[S@@](CC[NH2+]Cc1cccc(Br)c1[O-])CC(F)(F)F ZINC000850348022 749346979 /nfs/dbraw/zinc/34/69/79/749346979.db2.gz CTGONDKYVIFTPL-IBGZPJMESA-N 0 0 360.195 2.555 20 10 FFCDRN CC(C)(C)N1C[C@@H](C[NH2+]Cc2cccc(Br)c2[O-])CC1=O ZINC000850395626 749358511 /nfs/dbraw/zinc/35/85/11/749358511.db2.gz BKRATTCNPVHWKX-LLVKDONJSA-N 0 0 355.276 2.891 20 10 FFCDRN COC[C@H](CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])OC ZINC000850485975 749372129 /nfs/dbraw/zinc/37/21/29/749372129.db2.gz PGNHXFKXWHXIBG-KOLCDFICSA-N 0 0 350.228 2.996 20 10 FFCDRN CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850508002 749377925 /nfs/dbraw/zinc/37/79/25/749377925.db2.gz LLZSZOHRHBCPHH-GOEBONIOSA-N 0 0 364.269 2.908 20 10 FFCDRN CC(C)(C)n1ncc(C(=O)NCc2ccc(N)cc2)c1Br ZINC000850712629 749414737 /nfs/dbraw/zinc/41/47/37/749414737.db2.gz ZFFYYKKYLHXUGF-UHFFFAOYSA-N 0 0 351.248 2.913 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1ccc(N)cc1F ZINC000851797462 749679126 /nfs/dbraw/zinc/67/91/26/749679126.db2.gz FKIUKDQJFOUPHL-ZDUSSCGKSA-N 0 0 365.474 2.692 20 10 FFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](C)O1 ZINC000851991199 749745278 /nfs/dbraw/zinc/74/52/78/749745278.db2.gz IHZKDMLSRURMMJ-CVEARBPZSA-N 0 0 363.527 2.949 20 10 FFCDRN C[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852255207 749816261 /nfs/dbraw/zinc/81/62/61/749816261.db2.gz RUDZLEAADAELFN-GFCCVEGCSA-N 0 0 359.392 2.788 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NC[C@@]3(C)CC3(F)F)C2)cc1 ZINC000852386701 749850891 /nfs/dbraw/zinc/85/08/91/749850891.db2.gz JTWDDJJIIVABDG-SUMWQHHRSA-N 0 0 353.413 2.866 20 10 FFCDRN Cc1cncc(CCNC(=O)NCc2cc(Cl)cc(Cl)c2[O-])n1 ZINC000852606505 749903650 /nfs/dbraw/zinc/90/36/50/749903650.db2.gz CXFQQCYOHBLGFE-UHFFFAOYSA-N 0 0 355.225 2.839 20 10 FFCDRN CC1(C)OCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000852684607 749924983 /nfs/dbraw/zinc/92/49/83/749924983.db2.gz KMVGJPADIMOZDE-LLVKDONJSA-N 0 0 357.248 2.769 20 10 FFCDRN O=S1(=O)CCN(c2ccc(CNc3ccnc(Cl)c3)cc2)CC1 ZINC000853791752 750165929 /nfs/dbraw/zinc/16/59/29/750165929.db2.gz PVNZQQZLJNJOAY-UHFFFAOYSA-N 0 0 351.859 2.582 20 10 FFCDRN CC(C)(C)N1C[C@@H](CNC(=O)NCCCSc2nccs2)CC1=O ZINC000853857443 750183354 /nfs/dbraw/zinc/18/33/54/750183354.db2.gz CJLYHZUXBUDSRV-GFCCVEGCSA-N 0 0 370.544 2.572 20 10 FFCDRN CCOC(=O)c1cnc(NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000853955099 750209378 /nfs/dbraw/zinc/20/93/78/750209378.db2.gz DMFJTCFCGSWAGM-UHFFFAOYSA-N 0 0 361.467 2.893 20 10 FFCDRN Nc1ccc(Cc2noc([C@H](C[C@@H]3COCCO3)C(F)(F)F)n2)cc1 ZINC000854133768 750246542 /nfs/dbraw/zinc/24/65/42/750246542.db2.gz JQLRABIMVYWWJE-OLZOCXBDSA-N 0 0 357.332 2.694 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCCC1(CS(C)(=O)=O)CC1 ZINC000854286960 750275866 /nfs/dbraw/zinc/27/58/66/750275866.db2.gz IVCJKFMUVJNFGA-UHFFFAOYSA-N 0 0 368.499 2.529 20 10 FFCDRN COC[C@@H](CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)OC ZINC000854291699 750276403 /nfs/dbraw/zinc/27/64/03/750276403.db2.gz JUQGXGKQIKNLQF-GOSISDBHSA-N 0 0 351.491 2.724 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc(Cl)nc3N)C2)cc1 ZINC000854981378 750404638 /nfs/dbraw/zinc/40/46/38/750404638.db2.gz PZJHDEOZUAFSEM-LBPRGKRZSA-N 0 0 360.845 2.582 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000047671222 845148905 /nfs/dbraw/zinc/14/89/05/845148905.db2.gz NQUNNLXXTSFGRD-UHFFFAOYSA-N 0 0 364.858 2.532 20 10 FFCDRN CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc(Cl)cc3)ccc21 ZINC000057555106 845374461 /nfs/dbraw/zinc/37/44/61/845374461.db2.gz QCHPTWCVCDTZSM-UHFFFAOYSA-N 0 0 357.841 2.977 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cc1C ZINC000058507380 845398136 /nfs/dbraw/zinc/39/81/36/845398136.db2.gz DSPFFVITGPZFCN-UHFFFAOYSA-N 0 0 352.431 2.687 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)C[C@H]2CCCCO2)cc1F ZINC000066902828 845485709 /nfs/dbraw/zinc/48/57/09/845485709.db2.gz BJPLVGLTVJCGIV-OAHLLOKOSA-N 0 0 358.479 2.660 20 10 FFCDRN CCc1nnc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000068482177 845522225 /nfs/dbraw/zinc/52/22/25/845522225.db2.gz AEFXHIRTCYCPQX-GFCCVEGCSA-N 0 0 361.471 2.820 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(F)cc1[O-] ZINC000397412202 845867655 /nfs/dbraw/zinc/86/76/55/845867655.db2.gz VEEYRJOZMGFIFV-JSGCOSHPSA-N 0 0 354.422 2.818 20 10 FFCDRN O=C(NC1CCN(c2ncccn2)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000895730041 970899099 /nfs/dbraw/zinc/89/90/99/970899099.db2.gz NVQARISITXLALS-UHFFFAOYSA-N 0 0 370.434 2.501 20 10 FFCDRN Cc1cc(CCNC(=O)NCc2nccn2C)c(C)n1-c1ccccc1 ZINC000728743243 970936839 /nfs/dbraw/zinc/93/68/39/970936839.db2.gz GLQVBCVLULWPAU-UHFFFAOYSA-N 0 0 351.454 2.870 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000183331505 971113625 /nfs/dbraw/zinc/11/36/25/971113625.db2.gz GSSGYBLTMUXIDK-MRXNPFEDSA-N 0 0 368.433 2.764 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC(CO)(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000840376638 971184085 /nfs/dbraw/zinc/18/40/85/971184085.db2.gz HNUKNTLHINAJFQ-CSKARUKUSA-N 0 0 368.389 2.531 20 10 FFCDRN Cc1ccc(C(=O)NC[C@H]2CCCCN2C(=O)OC(C)(C)C)c(O)c1O ZINC000780915585 971201370 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CCCNS(=O)(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001211659031 972093186 /nfs/dbraw/zinc/09/31/86/972093186.db2.gz NNZQDRPNZMDQAL-ZDUSSCGKSA-N 0 0 359.923 2.910 20 10 FFCDRN CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2ccc(Cl)cc2O)C1=O ZINC001275892369 1013152680 /nfs/dbraw/zinc/15/26/80/1013152680.db2.gz BQIILYXOVWAEKC-KPZWWZAWSA-N 0 0 350.846 2.590 20 10 FFCDRN CC(C)CN1C[C@@]2(F)CN(Cc3ccc(Cl)cc3O)C[C@@]2(F)C1=O ZINC001275895160 1013153343 /nfs/dbraw/zinc/15/33/43/1013153343.db2.gz GHYJJIANEZZRRZ-DLBZAZTESA-N 0 0 358.816 2.776 20 10 FFCDRN CCCC[C@@H](NC(N)=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000124494463 972306657 /nfs/dbraw/zinc/30/66/57/972306657.db2.gz IDHKAINANBEZJX-MRXNPFEDSA-N 0 0 359.426 2.741 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1cccc(C)n1 ZINC000287390967 959824939 /nfs/dbraw/zinc/82/49/39/959824939.db2.gz RGQYHARYPLBKQZ-UHFFFAOYSA-N 0 0 369.465 2.583 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@@H](O)[C@H](F)C2)ccc1C ZINC000890682026 960002561 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CC(C)C(C)(C)NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000891084282 961903567 /nfs/dbraw/zinc/90/35/67/961903567.db2.gz LZRCAVVFZGCNLZ-UHFFFAOYSA-N 0 0 360.502 2.622 20 10 FFCDRN CC(C)(C)C(=O)CN1CC[C@]2(CC[N@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001276031196 1013296012 /nfs/dbraw/zinc/29/60/12/1013296012.db2.gz FLKDTOFWNQEBIN-FQEVSTJZSA-N 0 0 362.445 2.571 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@](C)(O)[C@@H](C)c3ccccc3)CC2)cc1 ZINC000175923570 962513375 /nfs/dbraw/zinc/51/33/75/962513375.db2.gz PRWTVNRHXBPXKZ-HTAPYJJXSA-N 0 0 368.477 2.899 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCC(C(C)=O)CC3)C2)cc1 ZINC000873047790 1013363223 /nfs/dbraw/zinc/36/32/23/1013363223.db2.gz CTQQNKMBUXKWTI-MRXNPFEDSA-N 0 0 359.470 2.532 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H]3CCCC[C@H]3C(N)=O)c2C)cc1 ZINC000177776650 962888086 /nfs/dbraw/zinc/88/80/86/962888086.db2.gz BIPCMUAOBRZAFQ-MJGOQNOKSA-N 0 0 369.465 2.877 20 10 FFCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000588404980 963594774 /nfs/dbraw/zinc/59/47/74/963594774.db2.gz BEERGNDLJQNTPB-CCCPALQASA-N 0 0 366.417 2.765 20 10 FFCDRN CC(C)(C)C(=O)CN1CC[C@]2(CCCN2Cc2cccc(F)c2O)C1=O ZINC001276087252 1013436837 /nfs/dbraw/zinc/43/68/37/1013436837.db2.gz ZJDAOEZYYAWCMR-HXUWFJFHSA-N 0 0 362.445 2.713 20 10 FFCDRN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C)CN(C)c3ccccc32)c1 ZINC000255334481 964057969 /nfs/dbraw/zinc/05/79/69/964057969.db2.gz ZDOJNUNOZXTXOQ-WHLNPGIBSA-N 0 0 364.449 2.574 20 10 FFCDRN C[C@@H](NC(=O)NCc1cc(N)cc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000891442231 964099412 /nfs/dbraw/zinc/09/94/12/964099412.db2.gz SCTSUSVRUJDGHU-CQSZACIVSA-N 0 0 372.444 2.805 20 10 FFCDRN C[C@H](NC(=O)NC[C@@]1(c2cnn(C)c2)CCCO1)c1ccc(N(C)C)cc1 ZINC000894288062 964220890 /nfs/dbraw/zinc/22/08/90/964220890.db2.gz ZUYVGWCMRMYNKQ-MGPUTAFESA-N 0 0 371.485 2.552 20 10 FFCDRN COc1ccc(N2CCN(C[C@@H]3CC[C@H](C(F)(F)F)O3)CC2)c(OC)c1 ZINC001175525152 1013498849 /nfs/dbraw/zinc/49/88/49/1013498849.db2.gz ZFSKCRCYIPRJMY-WMLDXEAASA-N 0 0 374.403 2.936 20 10 FFCDRN COc1c(C)cnc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC000051334605 965019427 /nfs/dbraw/zinc/01/94/27/965019427.db2.gz CLJIRXFFXCVRIF-UHFFFAOYSA-N 0 0 360.433 2.912 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)o1 ZINC000894598361 965513263 /nfs/dbraw/zinc/51/32/63/965513263.db2.gz ZFISLFWRHHAQDX-UHFFFAOYSA-N 0 0 355.438 2.528 20 10 FFCDRN COc1ccnc(N2CC[NH+](Cc3c(O)ccc4ccncc43)CC2)c1 ZINC000729467401 965624216 /nfs/dbraw/zinc/62/42/16/965624216.db2.gz AYHKLPYYOVIRLC-UHFFFAOYSA-N 0 0 350.422 2.666 20 10 FFCDRN COc1cccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)c1Cl ZINC001175899549 1013586410 /nfs/dbraw/zinc/58/64/10/1013586410.db2.gz UYQKVBHUIVTBGH-UHFFFAOYSA-N 0 0 354.859 2.940 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000892135357 966050618 /nfs/dbraw/zinc/05/06/18/966050618.db2.gz PVYRNXMADFOBBH-YSIASYRMSA-N 0 0 357.498 2.883 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC(c3nc(C)cc(C)n3)C2)c([N+](=O)[O-])c1 ZINC000894893000 966109503 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COc1ccc(O)c([C@@H](C)NC(=O)c2cc3c(C)nn(C)c3nc2C)c1 ZINC000729535747 968435585 /nfs/dbraw/zinc/43/55/85/968435585.db2.gz USUKLBQMNDVTTK-SNVBAGLBSA-N 0 0 354.410 2.790 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000729535531 968447995 /nfs/dbraw/zinc/44/79/95/968447995.db2.gz SXLRJKXDBGAHFO-CUYVQJCZSA-N 0 0 364.486 2.712 20 10 FFCDRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)CCC2 ZINC000179403919 968711704 /nfs/dbraw/zinc/71/17/04/968711704.db2.gz PMYFAOVOLMABJE-KRWDZBQOSA-N 0 0 374.462 2.880 20 10 FFCDRN CCCc1cc(N(Cc2ccccc2O)C[C@@H]2CCCO2)n2ncnc2n1 ZINC000179947029 969206994 /nfs/dbraw/zinc/20/69/94/969206994.db2.gz WOYPZSMIAXOXPS-KRWDZBQOSA-N 0 0 367.453 2.968 20 10 FFCDRN CN(C)[C@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000066047711 969229914 /nfs/dbraw/zinc/22/99/14/969229914.db2.gz MBRODJTUWOLJOR-FQEVSTJZSA-N 0 0 371.456 2.581 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cccc4c3OCO4)CC2)cc1F ZINC000782641711 969262295 /nfs/dbraw/zinc/26/22/95/969262295.db2.gz JDWZPFBGEMYAOP-UHFFFAOYSA-N 0 0 373.384 2.917 20 10 FFCDRN C[C@H](NC(=O)N1CCN(c2ccccc2)C(=O)C1)c1ccc(N(C)C)cc1 ZINC000773619170 1013862952 /nfs/dbraw/zinc/86/29/52/1013862952.db2.gz RHGDXZPFXKYKRB-INIZCTEOSA-N 0 0 366.465 2.872 20 10 FFCDRN COc1ccc(N(CCCN2C(=O)CNC2=O)Cc2ccccc2)cc1 ZINC000066420238 969386509 /nfs/dbraw/zinc/38/65/09/969386509.db2.gz QSHPNWUGFSMHQD-UHFFFAOYSA-N 0 0 353.422 2.644 20 10 FFCDRN Cc1nn(C)c(C)c1CCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000181000641 969726243 /nfs/dbraw/zinc/72/62/43/969726243.db2.gz FLAMDKXPESTHFI-UHFFFAOYSA-N 0 0 367.497 2.845 20 10 FFCDRN Cc1cc(NC(=O)CN2CCOc3cc(N(C)C)ccc32)n(C(C)(C)C)n1 ZINC000181134168 969739717 /nfs/dbraw/zinc/73/97/17/969739717.db2.gz MVLVNAVMBITROS-UHFFFAOYSA-N 0 0 371.485 2.850 20 10 FFCDRN C[C@H](NC(=O)NCc1cccc(C(=O)NC2CC2)c1)c1ccccc1O ZINC000875113204 1013971626 /nfs/dbraw/zinc/97/16/26/1013971626.db2.gz HSPJSPCSMQWZGZ-ZDUSSCGKSA-N 0 0 353.422 2.845 20 10 FFCDRN C[C@@H](NC(=O)N[C@H](CC(=O)N(C)C)c1ccccc1)c1ccccc1O ZINC000875147610 1013979731 /nfs/dbraw/zinc/97/97/31/1013979731.db2.gz QGQFCLZCEGRVRG-RHSMWYFYSA-N 0 0 355.438 2.972 20 10 FFCDRN C[C@@H](Oc1ccccn1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000825776995 1014005018 /nfs/dbraw/zinc/00/50/18/1014005018.db2.gz PKMZJIOXMHBZJF-WBVHZDCISA-N 0 0 356.422 2.762 20 10 FFCDRN C[C@@H]1CCc2[nH]nc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2C1 ZINC000895493914 970669958 /nfs/dbraw/zinc/66/99/58/970669958.db2.gz BROMFPWFAFDNQV-OAHLLOKOSA-N 0 0 368.481 2.643 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)C1CC1 ZINC000875438059 1014028151 /nfs/dbraw/zinc/02/81/51/1014028151.db2.gz LGDYMBOBOPFOEG-HNNXBMFYSA-N 0 0 361.442 2.721 20 10 FFCDRN C[C@@H](NC(=O)N1CCCCCCNC(=O)CC1)c1ccc(N(C)C)cc1 ZINC000875507959 1014036491 /nfs/dbraw/zinc/03/64/91/1014036491.db2.gz ORBSIHJIMLSAHK-MRXNPFEDSA-N 0 0 360.502 2.906 20 10 FFCDRN CCn1nncc1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000875765860 1014073675 /nfs/dbraw/zinc/07/36/75/1014073675.db2.gz BDYVWUCVXRFYHX-UHFFFAOYSA-N 0 0 356.474 2.630 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)Cc2ncon2)CCCC1 ZINC000651667644 973181890 /nfs/dbraw/zinc/18/18/90/973181890.db2.gz LOMSPUITQWVOOG-UHFFFAOYSA-N 0 0 354.410 2.570 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000875870287 1014089630 /nfs/dbraw/zinc/08/96/30/1014089630.db2.gz RVBACGDTVRBUAY-BBHOWBALSA-N 0 0 362.470 2.895 20 10 FFCDRN Cc1cc(C(=O)CN2CCO[C@H](C)C2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000025836967 973234982 /nfs/dbraw/zinc/23/49/82/973234982.db2.gz DAWZYZZTYKLUIT-CQSZACIVSA-N 0 0 356.422 2.726 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)C2CC2)cc1 ZINC000875994519 1014105099 /nfs/dbraw/zinc/10/50/99/1014105099.db2.gz GGGIUOWMJDVTOO-OBNKQFAMSA-N 0 0 355.482 2.850 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000897216428 973452322 /nfs/dbraw/zinc/45/23/22/973452322.db2.gz QSMBFGKSQZACGR-WOJBJXKFSA-N 0 0 373.497 2.622 20 10 FFCDRN Oc1ccc(C[C@@H](O)c2nc(-c3ccc(F)c(F)c3F)no2)cc1O ZINC001211665352 974034618 /nfs/dbraw/zinc/03/46/18/974034618.db2.gz PIDYFORBIGFSCM-GFCCVEGCSA-N 0 0 352.268 2.841 20 10 FFCDRN Cc1noc2nc(C)cc(C(=O)NCc3ccc(N4CCOCC4)cc3)c12 ZINC000054284657 974106417 /nfs/dbraw/zinc/10/64/17/974106417.db2.gz PMLZAAUKOKWFRI-UHFFFAOYSA-N 0 0 366.421 2.606 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2ncccc2O)CCCC1 ZINC000651948360 974608710 /nfs/dbraw/zinc/60/87/10/974608710.db2.gz JYWSSUDRPMJTNL-UHFFFAOYSA-N 0 0 365.433 2.946 20 10 FFCDRN COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c1O ZINC000729861216 975528607 /nfs/dbraw/zinc/52/86/07/975528607.db2.gz HAMVVNGXLNGOGC-AWEZNQCLSA-N 0 0 372.396 2.518 20 10 FFCDRN CN(Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000876511889 1014288138 /nfs/dbraw/zinc/28/81/38/1014288138.db2.gz VZUHXJSIUWXLDF-LJQANCHMSA-N 0 0 369.513 2.937 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCOC12CCCC2 ZINC000898770198 976669308 /nfs/dbraw/zinc/66/93/08/976669308.db2.gz OZWGORSKHHOGRV-IBGZPJMESA-N 0 0 373.497 2.766 20 10 FFCDRN CC(C)Cn1nccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000843802064 976835555 /nfs/dbraw/zinc/83/55/55/976835555.db2.gz DMVOPMPJJLLSNQ-UHFFFAOYSA-N 0 0 370.497 2.678 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3cscc3C)CC2)cc1 ZINC000126107740 1014352856 /nfs/dbraw/zinc/35/28/56/1014352856.db2.gz GRTMQXWHVCZTOO-UHFFFAOYSA-N 0 0 373.478 2.743 20 10 FFCDRN CN(c1ccc(CNC(=O)NCCN2CCOCC2)cc1)C1CCCCC1 ZINC000067003967 976949059 /nfs/dbraw/zinc/94/90/59/976949059.db2.gz LRSQGWORCXBHEM-UHFFFAOYSA-N 0 0 374.529 2.587 20 10 FFCDRN COC(=O)c1ccc2c(c1)CN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000876716395 1014360645 /nfs/dbraw/zinc/36/06/45/1014360645.db2.gz XHSZDZQHVKJYHW-UHFFFAOYSA-N 0 0 366.461 2.950 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccnnc2OC)CCCC1 ZINC000650038441 1014363897 /nfs/dbraw/zinc/36/38/97/1014363897.db2.gz GCVRENJRLIOVIW-UHFFFAOYSA-N 0 0 366.421 2.966 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)C2(F)CC2)NC(=O)OC(C)(C)C)cc1 ZINC000843808917 977302510 /nfs/dbraw/zinc/30/25/10/977302510.db2.gz WBWPBTVLPHFHPY-OAHLLOKOSA-N 0 0 365.449 2.937 20 10 FFCDRN CC(=O)N1CC[C@@H](n2cc(COc3ccc(N)cc3)nn2)c2ccccc21 ZINC000899743335 977314215 /nfs/dbraw/zinc/31/42/15/977314215.db2.gz CXZKNSBDRZLENQ-HXUWFJFHSA-N 0 0 363.421 2.785 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)c2cc(F)c(F)c(F)c2)cc1 ZINC001167902691 977432568 /nfs/dbraw/zinc/43/25/68/977432568.db2.gz BVCKTRCPQKEZOX-CYBMUJFWSA-N 0 0 366.299 2.730 20 10 FFCDRN Cc1cc(C(=O)CN2CCC(CO)CC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000728913347 977442795 /nfs/dbraw/zinc/44/27/95/977442795.db2.gz VWHDMEDDCUSFNY-UHFFFAOYSA-N 0 0 370.449 2.710 20 10 FFCDRN Cc1cc(C(=O)CN(CCO)[C@@H]2CCO[C@H]2C)c(C)n1-c1ccccc1 ZINC000796581193 1014406929 /nfs/dbraw/zinc/40/69/29/1014406929.db2.gz VMVYPTYSJYKHIB-FXAWDEMLSA-N 0 0 356.466 2.749 20 10 FFCDRN Cc1cc(C(=O)CN2CCC[C@H]2CO)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000178709561 977770057 /nfs/dbraw/zinc/77/00/57/977770057.db2.gz LPIDXNHKRVHDMR-KRWDZBQOSA-N 0 0 370.449 2.505 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2cn3c(n2)CCCC3)c1 ZINC000728945438 977932838 /nfs/dbraw/zinc/93/28/38/977932838.db2.gz SMDUQWAZPGXVOV-ZDUSSCGKSA-N 0 0 358.442 2.537 20 10 FFCDRN CN(C(=O)/C=C/c1cnccn1)c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC000894131869 977937557 /nfs/dbraw/zinc/93/75/57/977937557.db2.gz QQPRHCOSOYDSQL-AATRIKPKSA-N 0 0 369.425 2.573 20 10 FFCDRN O=C(c1ncc2ccccn21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866898021 978067535 /nfs/dbraw/zinc/06/75/35/978067535.db2.gz OSXCQCAYCMFIHN-QGZVFWFLSA-N 0 0 351.406 2.861 20 10 FFCDRN COc1ccc(CN2CC[C@@H]([NH2+]Cc3ccc(F)c(F)c3[O-])C2=O)cc1 ZINC000877041078 1014460996 /nfs/dbraw/zinc/46/09/96/1014460996.db2.gz UPZXQFIXSINERS-MRXNPFEDSA-N 0 0 362.376 2.570 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ncn(Cc3ccccc3)n2)c1 ZINC000729037839 978163923 /nfs/dbraw/zinc/16/39/23/978163923.db2.gz AHSMCKFOPRZBRY-CYBMUJFWSA-N 0 0 367.409 2.923 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc([C@@H](C)OC)c2)c1 ZINC000729061396 978168475 /nfs/dbraw/zinc/16/84/75/978168475.db2.gz CNTBDCYPGHACDJ-QWHCGFSZSA-N 0 0 372.421 2.924 20 10 FFCDRN CCOCc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000729062331 978168713 /nfs/dbraw/zinc/16/87/13/978168713.db2.gz QGZYQFKQEICQBD-ZDUSSCGKSA-N 0 0 372.421 2.753 20 10 FFCDRN COC(=O)NC(C)(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000729305692 978234480 /nfs/dbraw/zinc/23/44/80/978234480.db2.gz BSEKBGZLKSETGG-UHFFFAOYSA-N 0 0 357.454 2.887 20 10 FFCDRN CN(c1ccc(CNC(=O)[C@@H]2CCCN(C(N)=O)C2)cc1)C1CCCCC1 ZINC000067299763 978266936 /nfs/dbraw/zinc/26/69/36/978266936.db2.gz MTFPMKYLZSDIQN-QGZVFWFLSA-N 0 0 372.513 2.862 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2ccc(NC(C)=O)cc2)cc1OC ZINC000109100394 979313082 /nfs/dbraw/zinc/31/30/82/979313082.db2.gz HCCBVPZTORXXAU-UHFFFAOYSA-N 0 0 357.410 2.737 20 10 FFCDRN CC(=O)c1nn(C)cc1OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000904434919 980274093 /nfs/dbraw/zinc/27/40/93/980274093.db2.gz CDWGVGQECGBNEQ-UHFFFAOYSA-N 0 0 370.384 2.826 20 10 FFCDRN CCn1cc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000780397040 980384887 /nfs/dbraw/zinc/38/48/87/980384887.db2.gz HOLAHJFBCPBBOF-GASCZTMLSA-N 0 0 374.460 2.515 20 10 FFCDRN O=C(Nc1ccccc1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000127512595 980402600 /nfs/dbraw/zinc/40/26/00/980402600.db2.gz RUHZBMWAPNARAA-QGZVFWFLSA-N 0 0 354.406 2.539 20 10 FFCDRN CC(C)(C)c1nnc2n1CCN(Cc1ccc(N3CCC(O)CC3)cc1)C2 ZINC000877639492 1014656092 /nfs/dbraw/zinc/65/60/92/1014656092.db2.gz LXGIWMFLDYGARF-UHFFFAOYSA-N 0 0 369.513 2.553 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000054401358 980443754 /nfs/dbraw/zinc/44/37/54/980443754.db2.gz CATCZSGDGAMNFI-UHFFFAOYSA-N 0 0 356.445 2.924 20 10 FFCDRN Cn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C2CCCC2)n1 ZINC000906386556 980648537 /nfs/dbraw/zinc/64/85/37/980648537.db2.gz WPPDNACNIKIWEI-UHFFFAOYSA-N 0 0 368.481 2.844 20 10 FFCDRN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000906420621 980654764 /nfs/dbraw/zinc/65/47/64/980654764.db2.gz VRSQYPYQMRVCBM-ZYSHUDEJSA-N 0 0 374.481 2.680 20 10 FFCDRN [NH3+][C@H]1CN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])C[C@H]1F ZINC001204843866 980783719 /nfs/dbraw/zinc/78/37/19/980783719.db2.gz YDGJHKKDIVUBLE-ZJUUUORDSA-N 0 0 357.145 2.655 20 10 FFCDRN O=c1oc(-c2ccc(F)cc2)nn1Cc1ccc(N2CCOCC2)cc1 ZINC000877887209 1014755127 /nfs/dbraw/zinc/75/51/27/1014755127.db2.gz FVDVYJRHKZRPGA-UHFFFAOYSA-N 0 0 355.369 2.527 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc2[nH]c(CO)nc2c1 ZINC000910557627 981996491 /nfs/dbraw/zinc/99/64/91/981996491.db2.gz IKTNQSMQHUGSQF-AWEZNQCLSA-N 0 0 366.465 2.791 20 10 FFCDRN O=C(C[C@@H]1CCC2(CCOCC2)CO1)NCc1ccc2cccnc2c1O ZINC000911262103 982191932 /nfs/dbraw/zinc/19/19/32/982191932.db2.gz OPKGNLJHVWAOCH-KRWDZBQOSA-N 0 0 370.449 2.923 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc[nH]1 ZINC000760358577 982375556 /nfs/dbraw/zinc/37/55/56/982375556.db2.gz VBVSHSYVEWBOMZ-HNNXBMFYSA-N 0 0 356.470 2.784 20 10 FFCDRN COc1ccc(CNC(=O)NCC2(C)CCC3(CC2)OCCO3)c(O)c1 ZINC000897633292 982446212 /nfs/dbraw/zinc/44/62/12/982446212.db2.gz ZZFNDLVAIOOBBE-UHFFFAOYSA-N 0 0 364.442 2.523 20 10 FFCDRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956265 982462788 /nfs/dbraw/zinc/46/27/88/982462788.db2.gz AFQNIIKMXYCUAK-SFHVURJKSA-N 0 0 374.529 2.929 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCN(c3cccc(F)c3F)CC2)cc1 ZINC000841955208 982466168 /nfs/dbraw/zinc/46/61/68/982466168.db2.gz VVVHEVHDFBOETB-UHFFFAOYSA-N 0 0 360.408 2.621 20 10 FFCDRN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)NCCc1ccc(N)cc1 ZINC000841963350 982473436 /nfs/dbraw/zinc/47/34/36/982473436.db2.gz ZFVYDCSIEYVQOX-UHFFFAOYSA-N 0 0 366.465 2.545 20 10 FFCDRN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCc3c(O)ccc4c3CCCC4)[C@@H]2C1 ZINC000897722989 982485112 /nfs/dbraw/zinc/48/51/12/982485112.db2.gz MRHKTCKMSFKPKE-KKBFJZEXSA-N 0 0 372.465 2.658 20 10 FFCDRN 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O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000788934044 1001926277 /nfs/dbraw/zinc/92/62/77/1001926277.db2.gz ZVWMLGNEDHFKBO-IEBWSBKVSA-N 0 0 355.482 2.694 20 10 FFCDRN C[C@@H](NC(=O)CCn1c2ccccc2n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000773012388 1002028792 /nfs/dbraw/zinc/02/87/92/1002028792.db2.gz HIOAZEHGIVNDRC-OAHLLOKOSA-N 0 0 366.465 2.674 20 10 FFCDRN CCOC(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746812672 1002067215 /nfs/dbraw/zinc/06/72/15/1002067215.db2.gz DNJNRUOBIHYNDM-QGZVFWFLSA-N 0 0 359.470 2.554 20 10 FFCDRN Cc1nc2ccccc2c(=O)n1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773019141 1002118009 /nfs/dbraw/zinc/11/80/09/1002118009.db2.gz OZTKNHOWBIKKQC-AWEZNQCLSA-N 0 0 364.449 2.648 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cn(Cc3ccccc3)nn2)cc1 ZINC000789819397 1002210338 /nfs/dbraw/zinc/21/03/38/1002210338.db2.gz UAFXTUVBMZFSND-UHFFFAOYSA-N 0 0 350.426 2.714 20 10 FFCDRN C[C@@H](NC(=O)c1c[nH]nc1-c1ccoc1)c1ccc(N2CCOCC2)cc1 ZINC000789909757 1002233801 /nfs/dbraw/zinc/23/38/01/1002233801.db2.gz DPIDRHYDYRQBJG-CQSZACIVSA-N 0 0 366.421 2.997 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1(c2cccnc2)CC1 ZINC000789950240 1002236002 /nfs/dbraw/zinc/23/60/02/1002236002.db2.gz QAWHJPUIAGWGIS-UHFFFAOYSA-N 0 0 351.450 2.608 20 10 FFCDRN Cc1ccc(NCCCNC(=O)c2c(F)ccc(O)c2O)c([N+](=O)[O-])c1 ZINC000789981155 1002245315 /nfs/dbraw/zinc/24/53/15/1002245315.db2.gz KTSWAKBWXYSQBH-UHFFFAOYSA-N 0 0 363.345 2.686 20 10 FFCDRN COCc1nnc(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)[n-]1 ZINC000827005396 1016603766 /nfs/dbraw/zinc/60/37/66/1016603766.db2.gz FOSYGLGJMAXHCM-UHFFFAOYSA-N 0 0 354.410 2.526 20 10 FFCDRN CC[C@H](C)N1C(=O)COCC12CN(Cc1cccc(C(C)(C)C)c1O)C2 ZINC001276246586 1016611448 /nfs/dbraw/zinc/61/14/48/1016611448.db2.gz BIOYSSKLTMKPJJ-HNNXBMFYSA-N 0 0 360.498 2.901 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC/C=C\CNC(=O)OC(C)(C)C)cc1 ZINC000790463486 1002381255 /nfs/dbraw/zinc/38/12/55/1002381255.db2.gz KEHLQFSKMIGORG-SREVYHEPSA-N 0 0 362.474 2.633 20 10 FFCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000790539002 1002395722 /nfs/dbraw/zinc/39/57/22/1002395722.db2.gz LRYQBVQHTMRBSK-NSHDSACASA-N 0 0 355.394 2.873 20 10 FFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@@H](O)Cc1ccc(O)cc1 ZINC001183904641 1002424923 /nfs/dbraw/zinc/42/49/23/1002424923.db2.gz WWZAIHNUBHZLRA-INIZCTEOSA-N 0 0 372.808 2.519 20 10 FFCDRN COC(=O)N[C@H](C(=O)NCc1cc(Cl)c2cccnc2c1O)C(C)C ZINC001183950920 1002450267 /nfs/dbraw/zinc/45/02/67/1002450267.db2.gz ZJKZKKCNDOCJPG-ZDUSSCGKSA-N 0 0 365.817 2.591 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000790743981 1002480016 /nfs/dbraw/zinc/48/00/16/1002480016.db2.gz OCZCZTPNHJOUBX-INIZCTEOSA-N 0 0 361.486 2.541 20 10 FFCDRN O=C(Cn1ccc2ccccc2c1=O)NCc1c(O)ccc2c1CCCC2 ZINC000790793896 1002491531 /nfs/dbraw/zinc/49/15/31/1002491531.db2.gz UAMAFQJASCIJAO-UHFFFAOYSA-N 0 0 362.429 2.902 20 10 FFCDRN COC(=O)C1(CCCC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCC1 ZINC001184176600 1002511524 /nfs/dbraw/zinc/51/15/24/1002511524.db2.gz FYYJEYKACKBWRB-UHFFFAOYSA-N 0 0 366.414 2.912 20 10 FFCDRN CC1(C)OCC(C(=O)NCc2cc(Cl)c3cccnc3c2O)CO1 ZINC001184456771 1002622498 /nfs/dbraw/zinc/62/24/98/1002622498.db2.gz WDJGQHWLYBJMNX-UHFFFAOYSA-N 0 0 350.802 2.609 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@@H]1CCCO1 ZINC000791249951 1002623817 /nfs/dbraw/zinc/62/38/17/1002623817.db2.gz NLYIMTSJHCZTCY-KRWDZBQOSA-N 0 0 362.470 2.944 20 10 FFCDRN CCOC(=O)CCC(=O)COC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000791318447 1002651057 /nfs/dbraw/zinc/65/10/57/1002651057.db2.gz RRIVMNFDOQDHGC-UHFFFAOYSA-N 0 0 358.394 2.558 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@H]3CCC[C@H]3OC)CC2)cc1 ZINC000774793432 1002757063 /nfs/dbraw/zinc/75/70/63/1002757063.db2.gz ZKQXZRHCLIOJMC-VQIMIIECSA-N 0 0 361.486 2.732 20 10 FFCDRN Cc1cc(C(=O)OCC(=O)c2cnn(C)n2)c(C)n1-c1cccc(Cl)c1 ZINC000791780455 1002798713 /nfs/dbraw/zinc/79/87/13/1002798713.db2.gz VCNPHPGKDMTSCW-UHFFFAOYSA-N 0 0 372.812 2.916 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2ccccn2)cc1 ZINC000774891303 1002970067 /nfs/dbraw/zinc/97/00/67/1002970067.db2.gz WBNFKHRKORZNCE-INIZCTEOSA-N 0 0 368.481 2.764 20 10 FFCDRN CCOC(=O)[C@@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000774942335 1003081430 /nfs/dbraw/zinc/08/14/30/1003081430.db2.gz QBEZCKRHJRBVFC-OAHLLOKOSA-N 0 0 374.393 2.573 20 10 FFCDRN COc1cc(C)cnc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000792591243 1003082480 /nfs/dbraw/zinc/08/24/80/1003082480.db2.gz DFSSRKUQNMMDRT-OAHLLOKOSA-N 0 0 355.438 2.726 20 10 FFCDRN O=C(OCc1ccccc1)[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000792600822 1003089401 /nfs/dbraw/zinc/08/94/01/1003089401.db2.gz NCVCSTPZEGXIPL-MRXNPFEDSA-N 0 0 355.390 2.836 20 10 FFCDRN COc1c([O-])c(C[NH2+]CCCN2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000774947380 1003100602 /nfs/dbraw/zinc/10/06/02/1003100602.db2.gz DPAYNGGEENSUKF-UHFFFAOYSA-N 0 0 357.410 2.851 20 10 FFCDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000792629721 1003102616 /nfs/dbraw/zinc/10/26/16/1003102616.db2.gz VLEMQWAAVKYIRX-CHOZFAJLSA-N 0 0 364.442 2.873 20 10 FFCDRN O=C(CNc1ccnc(Cc2ccc(F)cc2)n1)c1ccc(O)c(O)c1 ZINC001170315945 1003106134 /nfs/dbraw/zinc/10/61/34/1003106134.db2.gz KLMMUHSCXWNOET-UHFFFAOYSA-N 0 0 353.353 2.913 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccn(-c3ccccc3)n2)c(O)c1 ZINC000792896233 1003222377 /nfs/dbraw/zinc/22/23/77/1003222377.db2.gz CRLYRMWIFUZDAB-UHFFFAOYSA-N 0 0 352.394 2.586 20 10 FFCDRN CC(=O)O[C@H](Cc1ccccc1)C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001186332255 1003292586 /nfs/dbraw/zinc/29/25/86/1003292586.db2.gz MGKZCXQHPOVMQA-HXUWFJFHSA-N 0 0 369.417 2.547 20 10 FFCDRN COc1cccc(O[C@@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000775028577 1003338710 /nfs/dbraw/zinc/33/87/10/1003338710.db2.gz DTYZKZVJRAELML-LBPRGKRZSA-N 0 0 362.382 2.875 20 10 FFCDRN CC[C@H]1NC(=O)N(c2cccc(NCc3cc4c(cc3O)OCO4)c2)C1=O ZINC000793355199 1003340619 /nfs/dbraw/zinc/34/06/19/1003340619.db2.gz BDAWPJURUBPYLW-CQSZACIVSA-N 0 0 369.377 2.568 20 10 FFCDRN CCn1ncnc1CNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000793462321 1003379324 /nfs/dbraw/zinc/37/93/24/1003379324.db2.gz UPWMNENUMREKJU-UHFFFAOYSA-N 0 0 355.398 2.509 20 10 FFCDRN COC(=O)[C@H]1CC[C@@H](NC(=O)c2cc(-n3c(C)ccc3C)ccc2O)C1 ZINC001186850568 1003436535 /nfs/dbraw/zinc/43/65/35/1003436535.db2.gz WSQQMNWYIWEPAE-LSDHHAIUSA-N 0 0 356.422 2.871 20 10 FFCDRN COc1c(O)c(CNCc2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000775068343 1003510340 /nfs/dbraw/zinc/51/03/40/1003510340.db2.gz NMUYAVXIJNGABU-UHFFFAOYSA-N 0 0 356.338 2.649 20 10 FFCDRN COc1cc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1C ZINC000793868251 1003519250 /nfs/dbraw/zinc/51/92/50/1003519250.db2.gz MHFSDEJSGYUSDR-OAHLLOKOSA-N 0 0 369.465 2.563 20 10 FFCDRN COC(=O)c1ccc2c(c1)CCN2Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000775072978 1003524349 /nfs/dbraw/zinc/52/43/49/1003524349.db2.gz HKGYFQQQRHBWNZ-UHFFFAOYSA-N 0 0 358.350 2.658 20 10 FFCDRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1ccc(OC)cc1O ZINC000794379366 1003620812 /nfs/dbraw/zinc/62/08/12/1003620812.db2.gz MSVMDBRSTMASKU-SFHVURJKSA-N 0 0 370.449 2.545 20 10 FFCDRN COCCOCc1cc(C(=O)NCc2ccc(OC)cc2O)ccc1F ZINC000794389674 1003623706 /nfs/dbraw/zinc/62/37/06/1003623706.db2.gz CBQRAZQLFGDGFI-UHFFFAOYSA-N 0 0 363.385 2.633 20 10 FFCDRN COc1ccc(CNC(=O)c2ccccc2N(C)C(=O)C2CC2)c(O)c1 ZINC000794387434 1003623722 /nfs/dbraw/zinc/62/37/22/1003623722.db2.gz HWGPECGQKHIGNN-UHFFFAOYSA-N 0 0 354.406 2.704 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)COc3cccc(OC)c3)CC2)cc1 ZINC000102382174 1003723557 /nfs/dbraw/zinc/72/35/57/1003723557.db2.gz SVAZXRSQIYBCHV-UHFFFAOYSA-N 0 0 370.449 2.868 20 10 FFCDRN CCn1cc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)ccc1=O ZINC000102437473 1003754665 /nfs/dbraw/zinc/75/46/65/1003754665.db2.gz POODRONWJGDKMJ-UHFFFAOYSA-N 0 0 370.453 2.667 20 10 FFCDRN CC[C@@H]1CCC[C@H]1NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000804853157 1003891408 /nfs/dbraw/zinc/89/14/08/1003891408.db2.gz LOGXUIBWUQPJKN-NVXWUHKLSA-N 0 0 363.477 2.983 20 10 FFCDRN C[C@H](NC(=O)NC[C@@H]1CCOC[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000804988915 1003916025 /nfs/dbraw/zinc/91/60/25/1003916025.db2.gz JYYQPTPIPXHMPW-BQFCYCMXSA-N 0 0 361.486 2.556 20 10 FFCDRN Oc1cc(O)c(CCNC(=S)NCc2ccccc2Cl)cc1O ZINC001196843510 1003976352 /nfs/dbraw/zinc/97/63/52/1003976352.db2.gz ZLXQATFUUJPDHL-UHFFFAOYSA-N 0 0 352.843 2.664 20 10 FFCDRN COC(=O)c1cc(C(=O)NCc2cc(Cl)c3cccnc3c2O)ccn1 ZINC001197054323 1004049051 /nfs/dbraw/zinc/04/90/51/1004049051.db2.gz LNHNZKZAAKXDQF-UHFFFAOYSA-N 0 0 371.780 2.705 20 10 FFCDRN CCN(Cc1ccccc1O)S(=O)(=O)c1c(C)cccc1C(=O)OC ZINC001197019987 1004050324 /nfs/dbraw/zinc/05/03/24/1004050324.db2.gz LVDAPAHORZYBAE-UHFFFAOYSA-N 0 0 363.435 2.698 20 10 FFCDRN O=C(NCC(=O)c1ccc(O)c(O)c1)Nc1ccc(OC(F)F)cc1 ZINC001192203826 1004084303 /nfs/dbraw/zinc/08/43/03/1004084303.db2.gz FOWQSHMELOYUDP-UHFFFAOYSA-N 0 0 352.293 2.704 20 10 FFCDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCc1cc(Cl)ccc1O ZINC001192214389 1004098798 /nfs/dbraw/zinc/09/87/98/1004098798.db2.gz JCGHKLYOMGGFFN-UHFFFAOYSA-N 0 0 356.787 2.741 20 10 FFCDRN Cc1cc(C(=O)Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cc(=O)[nH]1 ZINC001192232075 1004103209 /nfs/dbraw/zinc/10/32/09/1004103209.db2.gz GYJPCFLYEIOJLR-UHFFFAOYSA-N 0 0 373.368 2.706 20 10 FFCDRN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)N[C@@H](C)c1ccccc1O ZINC001192771694 1004266564 /nfs/dbraw/zinc/26/65/64/1004266564.db2.gz IIQQUSAVTWNEKA-WMLDXEAASA-N 0 0 356.422 2.927 20 10 FFCDRN O=C(CNC(=S)NCc1ccc(Cl)cc1)c1ccc(O)c(O)c1 ZINC001197597801 1004293612 /nfs/dbraw/zinc/29/36/12/1004293612.db2.gz ZLQJLEBVVAFTIR-UHFFFAOYSA-N 0 0 350.827 2.598 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1c(C)noc1C ZINC000806388750 1004304246 /nfs/dbraw/zinc/30/42/46/1004304246.db2.gz XZLKSVVVFVRTGW-GFCCVEGCSA-N 0 0 359.426 2.613 20 10 FFCDRN C[C@@H](NC(=O)Nc1cccnc1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000775552832 1004318447 /nfs/dbraw/zinc/31/84/47/1004318447.db2.gz XKJGEPQFHFCDJO-OAHLLOKOSA-N 0 0 369.469 2.867 20 10 FFCDRN COc1cc(C(=O)N2CCC3(Cc4ccccc4O3)CC2)cc(O)c1O 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351.786 2.957 20 10 FFCDRN CC1(C)CCC[C@@H]1NC(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000806894705 1004456620 /nfs/dbraw/zinc/45/66/20/1004456620.db2.gz GDXHLIPJNKAZPL-AEFFLSMTSA-N 0 0 374.481 2.595 20 10 FFCDRN C[C@@H](NC(=O)C(=O)Nc1cccc(C(C)(C)O)c1)c1ccc(N(C)C)cc1 ZINC000806985327 1004482158 /nfs/dbraw/zinc/48/21/58/1004482158.db2.gz AZEQBAHDJVNFSV-CQSZACIVSA-N 0 0 369.465 2.796 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000807096567 1004507115 /nfs/dbraw/zinc/50/71/15/1004507115.db2.gz IVJWUCXFBNNEKX-HFTRVMKXSA-N 0 0 359.514 2.866 20 10 FFCDRN CNC(=O)OC[C@@H]1CCCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807139323 1004514589 /nfs/dbraw/zinc/51/45/89/1004514589.db2.gz BZMAWUTVSOPGCC-YOEHRIQHSA-N 0 0 362.474 2.734 20 10 FFCDRN COC(=O)Nc1cccc(CNC(=O)NCc2cccc(OC)c2O)c1 ZINC000807491070 1004605014 /nfs/dbraw/zinc/60/50/14/1004605014.db2.gz HDLCAHCEWWSHKA-UHFFFAOYSA-N 0 0 359.382 2.579 20 10 FFCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1nc(C)c(C)[nH]c1=O 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C[C@H](NC(=O)N1CCC[C@@H](C(=O)N2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000776238137 1005305986 /nfs/dbraw/zinc/30/59/86/1005305986.db2.gz KYBJEZIJTWOBJN-FUHWJXTLSA-N 0 0 372.513 2.858 20 10 FFCDRN C[C@H](NC(=O)N1CCCC[C@H]1[C@H]1CNC(=O)C1)c1ccc(N(C)C)cc1 ZINC000776240322 1005307466 /nfs/dbraw/zinc/30/74/66/1005307466.db2.gz YUCIINWPHAWCNJ-LESCRADOSA-N 0 0 358.486 2.514 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CNc3c(C)cccc3F)CC2)cc1 ZINC000776271439 1005338238 /nfs/dbraw/zinc/33/82/38/1005338238.db2.gz CEICJTYDZZFUOG-UHFFFAOYSA-N 0 0 357.429 2.903 20 10 FFCDRN COc1ccc(N2CCCN(CC(=O)OCc3ccccc3)CC2)cc1 ZINC000108360206 1005655750 /nfs/dbraw/zinc/65/57/50/1005655750.db2.gz OPKFIXQDKXNYEJ-UHFFFAOYSA-N 0 0 354.450 2.951 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 ZINC000006865644 1005675950 /nfs/dbraw/zinc/67/59/50/1005675950.db2.gz ANUCJSFEYBRZGU-UHFFFAOYSA-N 0 0 371.437 2.875 20 10 FFCDRN C[C@@H](Cc1ccco1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000850057480 1005781830 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CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(C=O)n(C)c2)cc1 ZINC000931202063 1020369652 /nfs/dbraw/zinc/36/96/52/1020369652.db2.gz CAAAJSWOYLIPNK-HXUWFJFHSA-N 0 0 369.465 2.725 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc(NC(=O)C3CC3)c2)c1 ZINC000802782320 1020401457 /nfs/dbraw/zinc/40/14/57/1020401457.db2.gz SBFKHYHFPBVKFA-LLVKDONJSA-N 0 0 355.394 2.635 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(C(N)=O)c[nH]3)cc2Cl)C1 ZINC000800570245 1020402781 /nfs/dbraw/zinc/40/27/81/1020402781.db2.gz IRTGISUBTTYHPL-LBPRGKRZSA-N 0 0 374.872 2.933 20 10 FFCDRN COC1CCN(c2ccc(CN3CCOC[C@H]3[C@@H]3CCCC3=O)cc2)CC1 ZINC000828911146 1032901776 /nfs/dbraw/zinc/90/17/76/1032901776.db2.gz LCLHQBQNKPNATQ-SFTDATJTSA-N 0 0 372.509 2.872 20 10 FFCDRN CCCn1cc([C@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)nn1 ZINC000902761866 1020458278 /nfs/dbraw/zinc/45/82/78/1020458278.db2.gz BDDNWBYBQMDMCZ-INIZCTEOSA-N 0 0 357.502 2.748 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCN(c3nccs3)CC2)c([N+](=O)[O-])c1 ZINC000931436058 1020465570 /nfs/dbraw/zinc/46/55/70/1020465570.db2.gz PZJKBEMRJNWNBY-HYXAFXHYSA-N 0 0 374.422 2.564 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3CCC4(CCO4)CC3)CC2)cc1 ZINC000800704634 1020477305 /nfs/dbraw/zinc/47/73/05/1020477305.db2.gz KORAFQMEENWKGD-UHFFFAOYSA-N 0 0 359.470 2.629 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3ccc([S@@](C)=O)cc3)CC2)cc1 ZINC000726561211 1020485001 /nfs/dbraw/zinc/48/50/01/1020485001.db2.gz DUCXMXKNYIBSOB-AREMUKBSSA-N 0 0 372.490 2.831 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3c[nH]c4ncccc34)CC2)cc1 ZINC000726562465 1020485231 /nfs/dbraw/zinc/48/52/31/1020485231.db2.gz KQCHUBLYMAPSFB-UHFFFAOYSA-N 0 0 350.422 2.970 20 10 FFCDRN CCCN(CCO)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726721772 1020513055 /nfs/dbraw/zinc/51/30/55/1020513055.db2.gz JAAKRQGABXQSBT-UHFFFAOYSA-N 0 0 371.428 2.671 20 10 FFCDRN COc1ccc(N2CCN(c3nnc(-c4ccccc4)n3C)CC2)cc1F ZINC000800768641 1020533150 /nfs/dbraw/zinc/53/31/50/1020533150.db2.gz NPYWZEIGQUUSRZ-UHFFFAOYSA-N 0 0 367.428 2.956 20 10 FFCDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)c(O)c1O ZINC000727003815 1020568950 /nfs/dbraw/zinc/56/89/50/1020568950.db2.gz HKKBTXURVSEBIJ-GFCCVEGCSA-N 0 0 358.394 2.656 20 10 FFCDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)c(O)c1O ZINC000727005268 1020570239 /nfs/dbraw/zinc/57/02/39/1020570239.db2.gz MFQACYQITRADJI-WFASDCNBSA-N 0 0 371.389 2.592 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@](CO)(c3ccccc3)C2)cc1 ZINC000800910125 1020639290 /nfs/dbraw/zinc/63/92/90/1020639290.db2.gz OBHDOJKNSLFMME-QFIPXVFZSA-N 0 0 367.493 2.988 20 10 FFCDRN Cc1cc(C(=O)OCC(=O)c2cnnn2C)c(C)n1-c1cccc(C)c1 ZINC000803227538 1020698789 /nfs/dbraw/zinc/69/87/89/1020698789.db2.gz LWYVJPALONNWJP-UHFFFAOYSA-N 0 0 352.394 2.571 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCN(C)c3cc(F)ccc32)cc1 ZINC000749366765 1020956039 /nfs/dbraw/zinc/95/60/39/1020956039.db2.gz RNSQDGWXBUOQBK-UHFFFAOYSA-N 0 0 370.472 2.807 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCNC(=O)C(C)(C)C)cc1 ZINC000749421005 1020979808 /nfs/dbraw/zinc/97/98/08/1020979808.db2.gz PYHGOHHUXBYQSB-UHFFFAOYSA-N 0 0 362.518 2.837 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc(C(C)(C)C)co1 ZINC000933722467 1021078927 /nfs/dbraw/zinc/07/89/27/1021078927.db2.gz ZUDXUDIZQHBQGA-UHFFFAOYSA-N 0 0 373.453 2.733 20 10 FFCDRN COc1cnc([C@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2O)[nH]c1=O ZINC000934274022 1021182452 /nfs/dbraw/zinc/18/24/52/1021182452.db2.gz OARUKSZXDFRZHR-CQSZACIVSA-N 0 0 361.373 2.575 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H](C(=O)OC)C3)CC2)cc1 ZINC001116421287 1021209433 /nfs/dbraw/zinc/20/94/33/1021209433.db2.gz MZOXOKOTERSMOK-IRXDYDNUSA-N 0 0 374.481 2.713 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Nc3ccnn3C3CCOCC3)ccc21 ZINC000934637171 1021312259 /nfs/dbraw/zinc/31/22/59/1021312259.db2.gz IMSFVQCMYUQSHH-UHFFFAOYSA-N 0 0 369.469 2.939 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1ccc(C(N)=O)cc1)c1ccc(N(C)C)cc1 ZINC001116670077 1021344378 /nfs/dbraw/zinc/34/43/78/1021344378.db2.gz VNRHLVNIVRCZQO-AWEZNQCLSA-N 0 0 354.454 2.754 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1c(NC(=O)OC(C)(C)C)cnn1C ZINC000934705139 1021364900 /nfs/dbraw/zinc/36/49/00/1021364900.db2.gz RFPBADPDLLHOCU-UHFFFAOYSA-N 0 0 360.414 2.745 20 10 FFCDRN COc1c(O)c(CN2CCn3c(nnc3C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001116811520 1021431574 /nfs/dbraw/zinc/43/15/74/1021431574.db2.gz HFBQVFLPVBFWSX-UHFFFAOYSA-N 0 0 373.413 2.574 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccnc(F)c3OC)C2)cc1 ZINC000934856820 1021433637 /nfs/dbraw/zinc/43/36/37/1021433637.db2.gz KDJWJVONQCPNCO-LBPRGKRZSA-N 0 0 360.389 2.638 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000934940496 1021477743 /nfs/dbraw/zinc/47/77/43/1021477743.db2.gz NNYDFVAXBWGSKA-YOEHRIQHSA-N 0 0 368.433 2.627 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1C[C@]12C(=O)Nc1ccccc12 ZINC000934944482 1021479651 /nfs/dbraw/zinc/47/96/51/1021479651.db2.gz PZIJGTZLZOQTBT-VGOFRKELSA-N 0 0 362.429 2.797 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(-c2ccccc2)o1 ZINC001117039956 1021540456 /nfs/dbraw/zinc/54/04/56/1021540456.db2.gz ICGCLXFTQAZKCW-UHFFFAOYSA-N 0 0 364.401 2.927 20 10 FFCDRN C[C@H](NC(=O)c1cnc2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000145560890 1021641985 /nfs/dbraw/zinc/64/19/85/1021641985.db2.gz OVXPUHFUNKXMDY-HNNXBMFYSA-N 0 0 362.433 2.957 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@]1(F)CCOC1 ZINC001117376079 1021673224 /nfs/dbraw/zinc/67/32/24/1021673224.db2.gz QPJKSYITAYBJAP-PXAZEXFGSA-N 0 0 358.360 2.502 20 10 FFCDRN COC(C)(C)CNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001117428762 1021693962 /nfs/dbraw/zinc/69/39/62/1021693962.db2.gz RNGZCLKVADHNFC-UHFFFAOYSA-N 0 0 362.470 2.595 20 10 FFCDRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)NCc3ccc(OC)cc3O)cc2C1 ZINC000935771275 1021862857 /nfs/dbraw/zinc/86/28/57/1021862857.db2.gz PQYVJAVSOAHJEC-LBPRGKRZSA-N 0 0 356.422 2.946 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)N(C)CC2CCCC2)C2CC2)cc1 ZINC001117834891 1021930025 /nfs/dbraw/zinc/93/00/25/1021930025.db2.gz MYAVEYWXQZYQJQ-UHFFFAOYSA-N 0 0 357.498 2.892 20 10 FFCDRN COC(=O)[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)[C@@H]1C ZINC000829147591 1033026854 /nfs/dbraw/zinc/02/68/54/1033026854.db2.gz WZABBRWXXWPJNK-CJNGLKHVSA-N 0 0 373.428 2.694 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](CO)[C@H](CO)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000829162387 1033032526 /nfs/dbraw/zinc/03/25/26/1033032526.db2.gz YBHDQNQBPIEDBG-KDURUIRLSA-N 0 0 370.493 2.890 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cnc4n3CCCCC4)CC2)cc1 ZINC001118809303 1022417776 /nfs/dbraw/zinc/41/77/76/1022417776.db2.gz GYIHOEQSYKHSIO-UHFFFAOYSA-N 0 0 368.481 2.971 20 10 FFCDRN CCOc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000157468250 1022436844 /nfs/dbraw/zinc/43/68/44/1022436844.db2.gz DQPUIMSHEVATOA-UHFFFAOYSA-N 0 0 365.433 2.716 20 10 FFCDRN CN1CC[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2)c2ccccc21 ZINC000750730157 1022438677 /nfs/dbraw/zinc/43/86/77/1022438677.db2.gz QOCLZOGCLJMIPZ-FQEVSTJZSA-N 0 0 365.477 2.763 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nccc2[nH]ccc21 ZINC000829264760 1033067635 /nfs/dbraw/zinc/06/76/35/1033067635.db2.gz TWDGEUNYQBSUDY-UHFFFAOYSA-N 0 0 368.412 2.593 20 10 FFCDRN COc1cc(O)c(CN2CCN(CCOc3ccccc3)CC2)cc1OC ZINC000159493712 1022703901 /nfs/dbraw/zinc/70/39/01/1022703901.db2.gz YQHADHGINMFXDP-UHFFFAOYSA-N 0 0 372.465 2.606 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)CNC(=O)CC2CCCC2)C2CC2)cc1 ZINC000751320972 1022795940 /nfs/dbraw/zinc/79/59/40/1022795940.db2.gz UVLVSQLDLGMIFD-UHFFFAOYSA-N 0 0 357.498 2.940 20 10 FFCDRN CN(c1ccc(CNC(=O)CCN2CCOCC2)cc1)C1CCCCC1 ZINC000751381541 1022817990 /nfs/dbraw/zinc/81/79/90/1022817990.db2.gz KFEPDSHNORFLAG-UHFFFAOYSA-N 0 0 359.514 2.794 20 10 FFCDRN CCN(CC(=O)NCC(=O)c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000751472713 1022841783 /nfs/dbraw/zinc/84/17/83/1022841783.db2.gz XHTHKRZSSBVQGW-UHFFFAOYSA-N 0 0 356.422 2.529 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC[C@H]1CCCC1(F)F ZINC001119541818 1022847554 /nfs/dbraw/zinc/84/75/54/1022847554.db2.gz NJTPSXFEHSCYQV-OAHLLOKOSA-N 0 0 367.440 2.619 20 10 FFCDRN CC1(C)C[NH2+]CC[C@H]1Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O ZINC001218316472 1033100171 /nfs/dbraw/zinc/10/01/71/1033100171.db2.gz TVZRWNLEJBQNKJ-GOSISDBHSA-N 0 0 351.402 2.935 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000075160156 1023022575 /nfs/dbraw/zinc/02/25/75/1023022575.db2.gz ZGIVMHQHYYSDMX-INIZCTEOSA-N 0 0 356.466 2.536 20 10 FFCDRN C[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)NC(=O)C1CCCC1 ZINC000075159784 1023022956 /nfs/dbraw/zinc/02/29/56/1023022956.db2.gz TXAJRIMBPXZULU-CQSZACIVSA-N 0 0 358.482 2.972 20 10 FFCDRN C[C@H]1CN(c2ccnc(C(=O)NCc3ccc(N(C)C)cc3)c2)C[C@H](C)O1 ZINC000188458194 1023087001 /nfs/dbraw/zinc/08/70/01/1023087001.db2.gz BQEIMBXKNVNRDO-HOTGVXAUSA-N 0 0 368.481 2.691 20 10 FFCDRN COC(=O)[C@@]1(F)CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000752441706 1023143539 /nfs/dbraw/zinc/14/35/39/1023143539.db2.gz BGBMWBXHHNLZRB-HXUWFJFHSA-N 0 0 374.412 2.830 20 10 FFCDRN CCc1nnc(CN(Cc2nnc(CC)o2)c2ccc3c(c2)CCO3)o1 ZINC000075827789 1023157712 /nfs/dbraw/zinc/15/77/12/1023157712.db2.gz VRVRUNBGSPFQQW-UHFFFAOYSA-N 0 0 355.398 2.719 20 10 FFCDRN COCCn1c(Cc2cccc(O)c2)nnc1N(C)Cc1ccccc1O ZINC001122376973 1023228796 /nfs/dbraw/zinc/22/87/96/1023228796.db2.gz HIGIONHAULNCRE-UHFFFAOYSA-N 0 0 368.437 2.563 20 10 FFCDRN CC(=O)N1CCN(Cc2ccccc2NCc2cc(C)ccc2O)CC1 ZINC000189447066 1023282739 /nfs/dbraw/zinc/28/27/39/1023282739.db2.gz KSTWORFHCBRRBF-UHFFFAOYSA-N 0 0 353.466 2.977 20 10 FFCDRN C[C@]1(CCC(=O)N(Cc2ccco2)Cc2ccccc2O)CCC(=O)N1 ZINC000753417181 1023321885 /nfs/dbraw/zinc/32/18/85/1023321885.db2.gz SSDRWMHMLRJCSV-HXUWFJFHSA-N 0 0 356.422 2.963 20 10 FFCDRN COC(=O)N1CCN(Cc2ccc(OCc3ccccc3)cc2O)CC1 ZINC000753534171 1023348086 /nfs/dbraw/zinc/34/80/86/1023348086.db2.gz FCDGBXVQKCPJMC-UHFFFAOYSA-N 0 0 356.422 2.855 20 10 FFCDRN CNC(=O)CCCN(C)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000753550372 1023350830 /nfs/dbraw/zinc/35/08/30/1023350830.db2.gz FNJFVESXAPTTMX-UHFFFAOYSA-N 0 0 370.497 2.804 20 10 FFCDRN 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C[C@H](C(=O)NCc1c(O)cccc1F)N(C(=O)OC(C)(C)C)C1CC1 ZINC001471976463 1064876785 /nfs/dbraw/zinc/87/67/85/1064876785.db2.gz ZUCFGFHYDXHRQF-LLVKDONJSA-N 0 0 352.406 2.936 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCO[C@@H]2CCOC2)ccc1C ZINC001472016702 1064891345 /nfs/dbraw/zinc/89/13/45/1064891345.db2.gz OKROFHVVIKCNGJ-LJQANCHMSA-N 0 0 370.449 2.750 20 10 FFCDRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCc1c(O)cccc1O ZINC001472063052 1064914330 /nfs/dbraw/zinc/91/43/30/1064914330.db2.gz DNZDTJMJSWQQGC-LLVKDONJSA-N 0 0 361.419 2.681 20 10 FFCDRN O=C(CNC(=O)c1cccc(F)c1)NCc1c(O)ccc2ccccc21 ZINC001472086338 1064925486 /nfs/dbraw/zinc/92/54/86/1064925486.db2.gz VATCYAJPBSBJCU-UHFFFAOYSA-N 0 0 352.365 2.731 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)/C=C\C(=O)OC)ccc21 ZINC001472399554 1065044778 /nfs/dbraw/zinc/04/47/78/1065044778.db2.gz PSNXRGSMOIPECG-OYVUYXNMSA-N 0 0 358.438 2.752 20 10 FFCDRN CCOCCOC1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC001472661144 1065123529 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CC[C@@H]1CN(CC)CCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001577280408 1078330007 /nfs/dbraw/zinc/33/00/07/1078330007.db2.gz ZYCIFSHEAXSVPX-MRXNPFEDSA-N 0 0 358.511 2.872 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CCC[C@](O)(C4CC4)C3)cs2)cc1 ZINC001580447389 1078806636 /nfs/dbraw/zinc/80/66/36/1078806636.db2.gz ZBTRVENIILNKGN-LJQANCHMSA-N 0 0 357.479 2.693 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)cc1 ZINC001584229732 1079326098 /nfs/dbraw/zinc/32/60/98/1079326098.db2.gz LFRQGIJODJHOGO-HNNXBMFYSA-N 0 0 367.409 2.866 20 10 FFCDRN COc1ccncc1Cn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001555122479 1075645140 /nfs/dbraw/zinc/64/51/40/1075645140.db2.gz CJSASLDCJZCFBA-UHFFFAOYSA-N 0 0 365.437 2.949 20 10 FFCDRN Cc1cc(C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)c(C)n1-c1ccccc1C ZINC001556639399 1075760529 /nfs/dbraw/zinc/76/05/29/1075760529.db2.gz DKIPSFLWENSWEK-KDURUIRLSA-N 0 0 367.493 2.996 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cnc3ccccc3c2O)cc1 ZINC001585443748 1079463996 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NC(=O)N=Nc1ccc(C(=O)Nc2cccc(N3C(=O)CCC3=O)c2)cc1 ZINC001558806812 1076080269 /nfs/dbraw/zinc/08/02/69/1076080269.db2.gz CFQLKRPBSIIKQG-UHFFFAOYSA-N 0 0 365.349 2.755 20 10 FFCDRN Cc1cc(C(=O)Cn2nnc(-c3ccco3)n2)c(C)n1-c1ccc(F)cn1 ZINC001559419825 1076157465 /nfs/dbraw/zinc/15/74/65/1076157465.db2.gz PMJCXCQVQFRADL-UHFFFAOYSA-N 0 0 366.356 2.758 20 10 FFCDRN C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001560693471 1076291906 /nfs/dbraw/zinc/29/19/06/1076291906.db2.gz JDZKQBNGXPGGHP-DTWKUNHWSA-N 0 0 361.667 2.894 20 10 FFCDRN Cc1ccc(N2CCC[C@@H](NC(=O)NCc3c(O)cccc3F)C2=O)cc1 ZINC001564179235 1076613071 /nfs/dbraw/zinc/61/30/71/1076613071.db2.gz HGUBJDRRZHAKGM-QGZVFWFLSA-N 0 0 371.412 2.835 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](O)C(Cl)(Cl)Cl ZINC001565701490 1076755700 /nfs/dbraw/zinc/75/57/00/1076755700.db2.gz GBJIIDSLRZMVIO-LBPRGKRZSA-N 0 0 353.677 2.798 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCN(Cc2ccccc2Cl)CC1 ZINC001566290664 1076942525 /nfs/dbraw/zinc/94/25/25/1076942525.db2.gz MOFYIUCYNOWKPW-UHFFFAOYSA-N 0 0 360.841 2.638 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(-c3ccncc3)nn2C)c1 ZINC001566374564 1076952893 /nfs/dbraw/zinc/95/28/93/1076952893.db2.gz MXLINDMSWKZJMK-LBPRGKRZSA-N 0 0 352.394 2.687 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 ZINC001567467224 1077029946 /nfs/dbraw/zinc/02/99/46/1077029946.db2.gz DZYLXZLNPBERMH-ZUOKHONESA-N 0 0 354.406 2.728 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CC(c2ccccc2)=NO1 ZINC001567467223 1077030116 /nfs/dbraw/zinc/03/01/16/1077030116.db2.gz DZYLXZLNPBERMH-XCLFUZPHSA-N 0 0 354.406 2.728 20 10 FFCDRN COc1ccc(C(=O)NCc2ccc3cccnc3c2O)c(OC)c1OC ZINC001570532001 1077213837 /nfs/dbraw/zinc/21/38/37/1077213837.db2.gz WERIGIBLNLCCSM-UHFFFAOYSA-N 0 0 368.389 2.896 20 10 FFCDRN O=C(Cc1cccc(F)c1[N+](=O)[O-])NCc1ccc2cccnc2c1O ZINC001570533621 1077213849 /nfs/dbraw/zinc/21/38/49/1077213849.db2.gz KBEFXCHDPHEMMV-UHFFFAOYSA-N 0 0 355.325 2.847 20 10 FFCDRN CCOC(=O)[C@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001570533822 1077214287 /nfs/dbraw/zinc/21/42/87/1077214287.db2.gz SAOWMWTWXXVIKE-KRWDZBQOSA-N 0 0 364.401 2.904 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC001587467404 1079796734 /nfs/dbraw/zinc/79/67/34/1079796734.db2.gz BURYZWWLXPBMTP-XMXMVECOSA-N 0 0 362.426 2.531 20 10 FFCDRN COC(=O)[C@@H]1OCC[C@@H]1CNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC001587504171 1079802170 /nfs/dbraw/zinc/80/21/70/1079802170.db2.gz XMGRWLKKYCZGFO-VQIMIIECSA-N 0 0 370.449 2.710 20 10 FFCDRN Cc1cnn(-c2cc(C(=O)N(C)Cc3ccccc3O)c(N)cc2F)c1 ZINC001588155786 1079938803 /nfs/dbraw/zinc/93/88/03/1079938803.db2.gz GMCRRXNOLKSGQN-UHFFFAOYSA-N 0 0 354.385 2.880 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589955873 1080901978 /nfs/dbraw/zinc/90/19/78/1080901978.db2.gz NDYKXJQSJJUGDK-QFYYESIMSA-N 0 0 366.381 2.819 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(C(C)(C)O)cc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589969256 1080911314 /nfs/dbraw/zinc/91/13/14/1080911314.db2.gz BUSJWJSBZDZWDB-LBPRGKRZSA-N 0 0 353.426 2.651 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589973613 1080914323 /nfs/dbraw/zinc/91/43/23/1080914323.db2.gz ILFBUIRTUQSEDJ-FRRDWIJNSA-N 0 0 373.457 2.733 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(F)c(NC(C)=O)c3)CC2)cc1 ZINC000052939436 506283201 /nfs/dbraw/zinc/28/32/01/506283201.db2.gz FZPLCWXSYMWFBN-UHFFFAOYSA-N 0 0 371.412 2.755 20 10 FFCDRN O=C(CCCC1CCOCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000281942355 512019537 /nfs/dbraw/zinc/01/95/37/512019537.db2.gz RRTJTDKOAVQNKP-UHFFFAOYSA-N 0 0 364.461 2.875 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(C)(=O)=O)c1 ZINC000053661682 506423477 /nfs/dbraw/zinc/42/34/77/506423477.db2.gz FFFLHVHOFQYHSM-UHFFFAOYSA-N 0 0 360.479 2.818 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000371226909 512277779 /nfs/dbraw/zinc/27/77/79/512277779.db2.gz SJMWDTSSFISYLX-MJGOQNOKSA-N 0 0 372.513 2.733 20 10 FFCDRN C[C@H]1Oc2ccccc2N(CCC(=O)N(C)Cc2ccccc2O)C1=O ZINC000053915114 506461658 /nfs/dbraw/zinc/46/16/58/506461658.db2.gz UTHDJAKOIWKOCY-CQSZACIVSA-N 0 0 354.406 2.555 20 10 FFCDRN COc1cc(N2CCN(C(=O)c3cccc(C)c3)CC2)cc(OC)c1OC ZINC000006276210 506474701 /nfs/dbraw/zinc/47/47/01/506474701.db2.gz CJFJFTSOHGGQTO-UHFFFAOYSA-N 0 0 370.449 2.983 20 10 FFCDRN NC(=O)N[C@H](CC(=O)NCc1ccc(N2CCCC2)cc1)c1cccs1 ZINC000041365219 506509350 /nfs/dbraw/zinc/50/93/50/506509350.db2.gz CZOAMUUNAFPIKG-MRXNPFEDSA-N 0 0 372.494 2.764 20 10 FFCDRN O=C(CCC(=O)c1cccs1)NCc1ccc(N2CCOCC2)cc1 ZINC000054285185 506530980 /nfs/dbraw/zinc/53/09/80/506530980.db2.gz XJZZSHWNUHCNHK-UHFFFAOYSA-N 0 0 358.463 2.864 20 10 FFCDRN CN(C)c1ccc(CN(C)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 ZINC000007187719 506542073 /nfs/dbraw/zinc/54/20/73/506542073.db2.gz FMCIYFAKXCQDKX-UHFFFAOYSA-N 0 0 363.439 2.701 20 10 FFCDRN O=C(NCCc1ccccc1F)NCc1ccc(N2CCOCC2)cc1 ZINC000054786498 506622468 /nfs/dbraw/zinc/62/24/68/506622468.db2.gz VZYXBMSXXUVDQS-UHFFFAOYSA-N 0 0 357.429 2.704 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCCc2nc(C)no2)cc1F ZINC000066926831 506696610 /nfs/dbraw/zinc/69/66/10/506696610.db2.gz SGNZOFHKLMRRRC-UHFFFAOYSA-N 0 0 363.437 2.795 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Nc3cccc(C(N)=O)c3)CC2)cc1 ZINC000056570854 507047402 /nfs/dbraw/zinc/04/74/02/507047402.db2.gz FFBIXAYFOSEABE-UHFFFAOYSA-N 0 0 368.437 2.538 20 10 FFCDRN Cc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000046872144 507213779 /nfs/dbraw/zinc/21/37/79/507213779.db2.gz ADGHSECWTCFCIM-SFHVURJKSA-N 0 0 355.438 2.986 20 10 FFCDRN COCCN(Cc1ccccn1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000057661370 507301520 /nfs/dbraw/zinc/30/15/20/507301520.db2.gz ZEDYNLJXVGHXNY-UHFFFAOYSA-N 0 0 368.481 2.822 20 10 FFCDRN Cc1ccc(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000047293773 507303597 /nfs/dbraw/zinc/30/35/97/507303597.db2.gz QYVSWRFYJVPOFS-UHFFFAOYSA-N 0 0 356.441 2.954 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Nc3ccccc3S(C)(=O)=O)ccc21 ZINC000058616427 507444269 /nfs/dbraw/zinc/44/42/69/507444269.db2.gz UZDHACBIQIZKMC-UHFFFAOYSA-N 0 0 373.478 2.794 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2sc(C)cn2c1=O ZINC000089321624 507829853 /nfs/dbraw/zinc/82/98/53/507829853.db2.gz QTNFINUCNIYUAX-UHFFFAOYSA-N 0 0 357.435 2.822 20 10 FFCDRN CC(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000108294722 507884417 /nfs/dbraw/zinc/88/44/17/507884417.db2.gz HFOLQPJVFBBLEO-IBGZPJMESA-N 0 0 357.498 2.798 20 10 FFCDRN COc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1F ZINC000090093790 507908469 /nfs/dbraw/zinc/90/84/69/507908469.db2.gz CEUBRGAUPZZHNO-UHFFFAOYSA-N 0 0 358.413 2.943 20 10 FFCDRN CO[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C ZINC000080603028 508087506 /nfs/dbraw/zinc/08/75/06/508087506.db2.gz QAOVALMYCDQEJJ-FUHWJXTLSA-N 0 0 350.459 2.754 20 10 FFCDRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000080610359 508088264 /nfs/dbraw/zinc/08/82/64/508088264.db2.gz NRTVZWAJODYGOR-UHFFFAOYSA-N 0 0 360.433 2.511 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)[C@H](C)CS(=O)(=O)CC ZINC000093413684 508144951 /nfs/dbraw/zinc/14/49/51/508144951.db2.gz RJSMPIHVKIQLSF-LLVKDONJSA-N 0 0 364.305 2.800 20 10 FFCDRN Cc1cc(C(=O)Cn2cnnc2[S@](C)=O)c(C)n1-c1ccc(C)c(F)c1 ZINC000112226736 508162487 /nfs/dbraw/zinc/16/24/87/508162487.db2.gz NJJOLHYHDWFVKX-AREMUKBSSA-N 0 0 374.441 2.753 20 10 FFCDRN C[C@@H]1c2ccccc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094123286 508169499 /nfs/dbraw/zinc/16/94/99/508169499.db2.gz TUSVCHZEWSYDKA-GFCCVEGCSA-N 0 0 360.435 2.523 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)cc1F ZINC000084815181 508294048 /nfs/dbraw/zinc/29/40/48/508294048.db2.gz AQTDZELKOWBUBK-UHFFFAOYSA-N 0 0 371.412 2.755 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CC[C@H]3CCCCO3)CC2)cc1F ZINC000084814660 508294057 /nfs/dbraw/zinc/29/40/57/508294057.db2.gz TXDYEOAAIAOSFY-MRXNPFEDSA-N 0 0 350.434 2.832 20 10 FFCDRN C[C@@H](Sc1ccccn1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000084923031 508297301 /nfs/dbraw/zinc/29/73/01/508297301.db2.gz CQQCKTLDRIQZNN-OAHLLOKOSA-N 0 0 357.479 2.715 20 10 FFCDRN Cc1cc(C(=O)N2CCCN(C(N)=O)CC2)c(C)n1-c1ccccc1C ZINC000104377976 508334074 /nfs/dbraw/zinc/33/40/74/508334074.db2.gz CUPZUXYSYBPTMD-UHFFFAOYSA-N 0 0 354.454 2.629 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000156612883 508449905 /nfs/dbraw/zinc/44/99/05/508449905.db2.gz GEDGVLFNYWZDEI-CQSZACIVSA-N 0 0 374.462 2.513 20 10 FFCDRN Cc1cc(Cl)ncc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000152628692 508481693 /nfs/dbraw/zinc/48/16/93/508481693.db2.gz IDQKJCRFXOMBIK-UHFFFAOYSA-N 0 0 360.845 2.707 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCO[C@@]3(CCOC3)C2)C2CC2)cc1 ZINC000371434468 512399600 /nfs/dbraw/zinc/39/96/00/512399600.db2.gz QAIPFVWCAHHEBL-UWJYYQICSA-N 0 0 373.497 2.765 20 10 FFCDRN Cc1coc(-c2cccc(NC(=O)C(=O)N(C)Cc3ccccc3O)c2)n1 ZINC000157244173 508542642 /nfs/dbraw/zinc/54/26/42/508542642.db2.gz SHPUAPWVEUUFSM-UHFFFAOYSA-N 0 0 365.389 2.953 20 10 FFCDRN CCCC(O)(CCC)CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000157497247 508574983 /nfs/dbraw/zinc/57/49/83/508574983.db2.gz DJWMGULQSCOYMA-UHFFFAOYSA-N 0 0 363.502 2.654 20 10 FFCDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000157946734 508637223 /nfs/dbraw/zinc/63/72/23/508637223.db2.gz GGIZIYRGMZHNOJ-BXUZGUMPSA-N 0 0 372.396 2.804 20 10 FFCDRN CCC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000135699700 508642300 /nfs/dbraw/zinc/64/23/00/508642300.db2.gz AFUUECIWHKEJHL-UHFFFAOYSA-N 0 0 353.422 2.600 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCc3cccnc3)CC2)cc1 ZINC000123216072 508653684 /nfs/dbraw/zinc/65/36/84/508653684.db2.gz AHFRDPJJWNVDKV-UHFFFAOYSA-N 0 0 354.454 2.555 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccnc1C(F)(F)F ZINC000136607071 508702876 /nfs/dbraw/zinc/70/28/76/508702876.db2.gz QWXYEQPDCORRCP-UHFFFAOYSA-N 0 0 365.355 2.867 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ncc(C)s2)cc1F ZINC000123687965 508725107 /nfs/dbraw/zinc/72/51/07/508725107.db2.gz BXVPSWNGAAJCHP-UHFFFAOYSA-N 0 0 364.446 2.692 20 10 FFCDRN CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000123862209 508749645 /nfs/dbraw/zinc/74/96/45/508749645.db2.gz IRSWMCHXKOLGGQ-UHFFFAOYSA-N 0 0 360.479 2.649 20 10 FFCDRN C[C@]1(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCOC1 ZINC000124045406 508775316 /nfs/dbraw/zinc/77/53/16/508775316.db2.gz FPWQBRDBVHNLGC-SFHVURJKSA-N 0 0 369.412 2.735 20 10 FFCDRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N(C)Cc1ccccc1O ZINC000130673556 508830269 /nfs/dbraw/zinc/83/02/69/508830269.db2.gz SIUWGXFZPPHOIZ-ZDUSSCGKSA-N 0 0 365.426 2.600 20 10 FFCDRN COc1cccc(CNC(=O)Cc2c(C)nn(CC(F)(F)F)c2C)c1O ZINC000131477433 508937382 /nfs/dbraw/zinc/93/73/82/508937382.db2.gz BEQQBLGSVQOFTG-UHFFFAOYSA-N 0 0 371.359 2.635 20 10 FFCDRN CCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000125394224 508976507 /nfs/dbraw/zinc/97/65/07/508976507.db2.gz RQJNWHNHNWTWFY-UHFFFAOYSA-N 0 0 355.822 2.692 20 10 FFCDRN COc1cc(O)c(CN(C)Cc2cn(C)nc2C(F)(F)F)cc1OC ZINC000160466058 508990606 /nfs/dbraw/zinc/99/06/06/508990606.db2.gz CBFOXIMGEAQMKF-UHFFFAOYSA-N 0 0 359.348 2.794 20 10 FFCDRN Nc1ccc(CC(=O)N2CCN(C(=O)CCCc3ccccc3)CC2)cc1 ZINC000125543857 508997548 /nfs/dbraw/zinc/99/75/48/508997548.db2.gz HDVUWCSCNWPSMS-UHFFFAOYSA-N 0 0 365.477 2.505 20 10 FFCDRN CC(C)S(=O)(=O)CCCN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000120475208 509004072 /nfs/dbraw/zinc/00/40/72/509004072.db2.gz QVRKZUBXUCQPJE-KRWDZBQOSA-N 0 0 355.500 2.587 20 10 FFCDRN COc1cc(N(C)CC(=O)N2C[C@@H](C)C[C@H](C)C2)cc(OC)c1OC ZINC000125739208 509023869 /nfs/dbraw/zinc/02/38/69/509023869.db2.gz QDTBZNCSSALEBQ-KBPBESRZSA-N 0 0 350.459 2.653 20 10 FFCDRN COc1cc(N(C)CC(=O)NCc2cccs2)cc(OC)c1OC ZINC000125745865 509024806 /nfs/dbraw/zinc/02/48/06/509024806.db2.gz CSKROHIJVMNMJK-UHFFFAOYSA-N 0 0 350.440 2.527 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1[O-] ZINC000125788067 509029610 /nfs/dbraw/zinc/02/96/10/509029610.db2.gz ZHQRNVACAKVROQ-WBMJQRKESA-N 0 0 350.846 2.739 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1[N+](=O)[O-] ZINC000133194066 509129885 /nfs/dbraw/zinc/12/98/85/509129885.db2.gz WVLQNVZFRJKRNZ-UHFFFAOYSA-N 0 0 359.357 2.501 20 10 FFCDRN COCCCn1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000152078827 509142456 /nfs/dbraw/zinc/14/24/56/509142456.db2.gz XDTXOMYMUJUWMJ-UHFFFAOYSA-N 0 0 355.442 2.618 20 10 FFCDRN COc1cc(N2CCN(C(=O)c3ccccc3C)CC2)cc(OC)c1OC ZINC000185496794 509204912 /nfs/dbraw/zinc/20/49/12/509204912.db2.gz WZMMDHAGJRQJCT-UHFFFAOYSA-N 0 0 370.449 2.983 20 10 FFCDRN Cc1cc2cn[nH]c2c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000263994346 509269964 /nfs/dbraw/zinc/26/99/64/509269964.db2.gz PBJKOQNHYFEBFB-UHFFFAOYSA-N 0 0 364.449 2.980 20 10 FFCDRN O=C(NCCc1nc(-c2cccc(Cl)c2)no1)c1cccc(O)c1O ZINC000185661897 509291192 /nfs/dbraw/zinc/29/11/92/509291192.db2.gz RWRMUBJCIOHDBJ-UHFFFAOYSA-N 0 0 359.769 2.774 20 10 FFCDRN COCCOCCCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000264206858 509383085 /nfs/dbraw/zinc/38/30/85/509383085.db2.gz TVFHGMMDWZPRKB-UHFFFAOYSA-N 0 0 362.470 2.687 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000173193266 509447242 /nfs/dbraw/zinc/44/72/42/509447242.db2.gz ULFOBMAFONMJQS-CYBMUJFWSA-N 0 0 371.403 2.752 20 10 FFCDRN C[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)NC(=O)C1CCCCC1 ZINC000173193735 509447480 /nfs/dbraw/zinc/44/74/80/509447480.db2.gz CAGBEAHTRINYJA-OAHLLOKOSA-N 0 0 373.497 2.953 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1c2ccccc2NC1=O ZINC000173196669 509448557 /nfs/dbraw/zinc/44/85/57/509448557.db2.gz RDYNAFGJBKPEST-OAHLLOKOSA-N 0 0 351.406 2.604 20 10 FFCDRN CCc1[nH]c(C(=O)N2CCOc3cc(N(C)C)ccc32)c(C)c1C(=O)OC ZINC000173194906 509448747 /nfs/dbraw/zinc/44/87/47/509448747.db2.gz XHJJFERTVRIVCQ-UHFFFAOYSA-N 0 0 371.437 2.777 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@@]4(CCOC4)C3)c2C)cc1 ZINC000186072512 509509464 /nfs/dbraw/zinc/50/94/64/509509464.db2.gz OMPCUSOORYTXHZ-NRFANRHFSA-N 0 0 370.449 2.734 20 10 FFCDRN COCc1cccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 ZINC000189335855 509525878 /nfs/dbraw/zinc/52/58/78/509525878.db2.gz PMKBGQAJWCXHJP-UHFFFAOYSA-N 0 0 367.449 2.754 20 10 FFCDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)no1 ZINC000164917753 509544169 /nfs/dbraw/zinc/54/41/69/509544169.db2.gz ZGMQCOLEIJSGIQ-UHFFFAOYSA-N 0 0 357.454 2.937 20 10 FFCDRN Cc1nc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)sc1C ZINC000192587879 509560362 /nfs/dbraw/zinc/56/03/62/509560362.db2.gz PUNDNZLPCMXEKC-UHFFFAOYSA-N 0 0 358.467 2.615 20 10 FFCDRN COC(=O)C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(SC)cc1 ZINC000237209008 509593324 /nfs/dbraw/zinc/59/33/24/509593324.db2.gz JPCIMFIHVJZHOW-QGZVFWFLSA-N 0 0 358.463 2.954 20 10 FFCDRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000176581764 509594505 /nfs/dbraw/zinc/59/45/05/509594505.db2.gz PNJIWQMJRJUWFU-XHQUFGICSA-N 0 0 369.506 2.771 20 10 FFCDRN CN(C(=O)Cc1ccc(N)cc1)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000237278154 509610284 /nfs/dbraw/zinc/61/02/84/509610284.db2.gz WNFVHUXPSZGEST-QGZVFWFLSA-N 0 0 357.841 2.729 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCN(C(N)=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176653441 509627201 /nfs/dbraw/zinc/62/72/01/509627201.db2.gz BHRKOANEGYOLKM-INIZCTEOSA-N 0 0 354.454 2.594 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC000192772115 509638879 /nfs/dbraw/zinc/63/88/79/509638879.db2.gz KQFFBMOUDIBLNM-CABCVRRESA-N 0 0 371.403 2.558 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2cn(C)nc2-c2ccncc2)cc1 ZINC000183227390 509667479 /nfs/dbraw/zinc/66/74/79/509667479.db2.gz YYHKVBUVWCEQEZ-UHFFFAOYSA-N 0 0 366.421 2.670 20 10 FFCDRN CC(C)(C)NC(=O)c1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000267937055 509678860 /nfs/dbraw/zinc/67/88/60/509678860.db2.gz QRURBRULAUHVEV-UHFFFAOYSA-N 0 0 371.437 2.990 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)cn1 ZINC000192958960 509716486 /nfs/dbraw/zinc/71/64/86/509716486.db2.gz JUUHUWKSHYPILS-UHFFFAOYSA-N 0 0 358.829 2.590 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000170682377 509718303 /nfs/dbraw/zinc/71/83/03/509718303.db2.gz WWQJLBRASRGUPO-RTBURBONSA-N 0 0 357.498 2.798 20 10 FFCDRN CCN(CC)C(=O)CCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000268055736 509739076 /nfs/dbraw/zinc/73/90/76/509739076.db2.gz SSPLCYNSTNANPQ-UHFFFAOYSA-N 0 0 365.437 2.983 20 10 FFCDRN Cc1cccc(C[N@H+](CCO)Cc2cnn(Cc3ccccc3)c2)c1O ZINC000180206970 509811673 /nfs/dbraw/zinc/81/16/73/509811673.db2.gz HYINVSZNBDBLFT-UHFFFAOYSA-N 0 0 351.450 2.940 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C ZINC000183478187 509814383 /nfs/dbraw/zinc/81/43/83/509814383.db2.gz LMWPMLXAZNHESP-DZGCQCFKSA-N 0 0 362.470 2.572 20 10 FFCDRN CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(Br)cc(C)c1O ZINC000180255081 509836880 /nfs/dbraw/zinc/83/68/80/509836880.db2.gz YXQOCNSCSDQEEU-NSHDSACASA-N 0 0 364.305 2.718 20 10 FFCDRN Cc1csc([C@@H](NCC(=O)NCc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000183535645 509846378 /nfs/dbraw/zinc/84/63/78/509846378.db2.gz JJQBXYZGERHSRN-SFHVURJKSA-N 0 0 358.511 2.875 20 10 FFCDRN CCn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cn1 ZINC000265135046 509879532 /nfs/dbraw/zinc/87/95/32/509879532.db2.gz SWEPNKPCJLQRAV-IBGZPJMESA-N 0 0 356.470 2.790 20 10 FFCDRN Cc1nn(C)c(=O)c(-c2nc(CN(C)Cc3ccccc3O)cs2)c1C ZINC000177153973 509905389 /nfs/dbraw/zinc/90/53/89/509905389.db2.gz XSMVKFWZUMRAOB-UHFFFAOYSA-N 0 0 370.478 2.858 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CSc2ccc(C(F)(F)F)nn2)cc1 ZINC000186844225 509911621 /nfs/dbraw/zinc/91/16/21/509911621.db2.gz HUFNVXHICYHWGF-UHFFFAOYSA-N 0 0 370.400 2.970 20 10 FFCDRN COc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c(C)c1 ZINC000174061946 509929611 /nfs/dbraw/zinc/92/96/11/509929611.db2.gz ILRXOJQWBNMQHD-UHFFFAOYSA-N 0 0 362.451 2.657 20 10 FFCDRN COc1cc(N2CCN([C@@H](C)c3ccccn3)CC2)cc(OC)c1OC ZINC000183701197 509934487 /nfs/dbraw/zinc/93/44/87/509934487.db2.gz NPGWSNXCNDXMLN-HNNXBMFYSA-N 0 0 357.454 2.991 20 10 FFCDRN Cc1cc(/C=C/C(=O)NC2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000174091261 509943861 /nfs/dbraw/zinc/94/38/61/509943861.db2.gz HPBAXGZVLAHPKS-CMDGGOBGSA-N 0 0 372.490 2.801 20 10 FFCDRN O=C(c1ccccc1)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000171128907 509957605 /nfs/dbraw/zinc/95/76/05/509957605.db2.gz TVVIWWGZUSDOJU-UHFFFAOYSA-N 0 0 355.394 2.695 20 10 FFCDRN Cc1nnc2ccc(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cn12 ZINC000265364230 510015175 /nfs/dbraw/zinc/01/51/75/510015175.db2.gz BIMDHFGPWPMXGV-QGZVFWFLSA-N 0 0 366.421 2.565 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000245720432 510105837 /nfs/dbraw/zinc/10/58/37/510105837.db2.gz DGUSYHMOSKYJFK-HIFRSBDPSA-N 0 0 372.259 2.543 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@H](c3nncn3C)C2)c(C)n1-c1ccccn1 ZINC000193895108 510118470 /nfs/dbraw/zinc/11/84/70/510118470.db2.gz PEWTUUFKGHDORB-INIZCTEOSA-N 0 0 364.453 2.637 20 10 FFCDRN CCCc1cnc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000190430205 510125918 /nfs/dbraw/zinc/12/59/18/510125918.db2.gz KDXVTDMBQAPDBZ-UHFFFAOYSA-N 0 0 364.446 2.556 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000194003546 510170367 /nfs/dbraw/zinc/17/03/67/510170367.db2.gz FUFKUSGXAVDDLM-GFCCVEGCSA-N 0 0 367.409 2.646 20 10 FFCDRN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccccc1O ZINC000269161034 510264174 /nfs/dbraw/zinc/26/41/74/510264174.db2.gz UZAPDTFPTZKBKW-KRWDZBQOSA-N 0 0 372.490 2.869 20 10 FFCDRN COc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1OC ZINC000265988173 510343350 /nfs/dbraw/zinc/34/33/50/510343350.db2.gz LLDMNJUJZJGKEP-UHFFFAOYSA-N 0 0 359.382 2.608 20 10 FFCDRN CNC(=O)c1ccc(N2CC=C(c3c[nH]c4ccc(OC)cc43)CC2)nn1 ZINC000265994978 510348218 /nfs/dbraw/zinc/34/82/18/510348218.db2.gz JJCKPKRVPBZPJD-UHFFFAOYSA-N 0 0 363.421 2.620 20 10 FFCDRN O=C(c1ccncc1)N1CCC([NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000190810308 510354872 /nfs/dbraw/zinc/35/48/72/510354872.db2.gz SUNCBXPLRSYBOG-UHFFFAOYSA-N 0 0 363.820 2.974 20 10 FFCDRN CC(C)(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)no1 ZINC000266009729 510356989 /nfs/dbraw/zinc/35/69/89/510356989.db2.gz HSGCGFVSJJPUSH-UHFFFAOYSA-N 0 0 361.417 2.878 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187694045 510390237 /nfs/dbraw/zinc/39/02/37/510390237.db2.gz NABXYNQFAGXHLV-WDEREUQCSA-N 0 0 370.421 2.990 20 10 FFCDRN O=S(=O)(c1cccc2nsnc21)N1CCN(C2CC2)c2ccccc21 ZINC000194808797 510538662 /nfs/dbraw/zinc/53/86/62/510538662.db2.gz MVAUVUXUBWUJNX-UHFFFAOYSA-N 0 0 372.475 2.869 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1[O-] ZINC000191215373 510552871 /nfs/dbraw/zinc/55/28/71/510552871.db2.gz UEVLPBQHDRBSRC-LLVKDONJSA-N 0 0 370.421 2.772 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000184927660 510589104 /nfs/dbraw/zinc/58/91/04/510589104.db2.gz HJPKWZGKYISGPQ-LJQANCHMSA-N 0 0 369.465 2.978 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCCCc3ccccn3)CC2)cc1F ZINC000178421106 510597253 /nfs/dbraw/zinc/59/72/53/510597253.db2.gz RKNIBFOAILHCNC-UHFFFAOYSA-N 0 0 372.444 2.694 20 10 FFCDRN COc1ccc(=O)n(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000188109809 510599375 /nfs/dbraw/zinc/59/93/75/510599375.db2.gz JOTGFJWFICEMDL-UHFFFAOYSA-N 0 0 351.406 2.851 20 10 FFCDRN O=C(/C=C/c1cnccn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266459728 510599961 /nfs/dbraw/zinc/59/99/61/510599961.db2.gz YFCKNFKCHKGEDW-GZTQLTBSSA-N 0 0 374.391 2.876 20 10 FFCDRN CC(C)c1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC000266555396 510655931 /nfs/dbraw/zinc/65/59/31/510655931.db2.gz ONXMLIDYOODZER-UHFFFAOYSA-N 0 0 370.453 2.994 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@]34CCOC4)c2C)cc1 ZINC000195191292 510708619 /nfs/dbraw/zinc/70/86/19/510708619.db2.gz JVDDTVUGEIRXLP-OAQYLSRUSA-N 0 0 370.449 2.734 20 10 FFCDRN C[C@@](O)(CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000270235519 510728359 /nfs/dbraw/zinc/72/83/59/510728359.db2.gz VWBYYUABIKAWMP-AUUYWEPGSA-N 0 0 368.424 2.924 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSC3=N[C@@H](C)CS3)CC2)cc1 ZINC000270385391 510786959 /nfs/dbraw/zinc/78/69/59/510786959.db2.gz DZBPXDIAEPYTRW-ZDUSSCGKSA-N 0 0 365.524 2.568 20 10 FFCDRN Cc1cc(C(=O)N[C@H](CO)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000270419205 510801913 /nfs/dbraw/zinc/80/19/13/510801913.db2.gz CPXYXZGAENMXNV-LJQANCHMSA-N 0 0 352.438 2.599 20 10 FFCDRN Cc1nn(C)cc1[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000172599471 510814012 /nfs/dbraw/zinc/81/40/12/510814012.db2.gz WKXJQTKZHGWCRB-WMLDXEAASA-N 0 0 372.469 2.886 20 10 FFCDRN CN(C)C(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000172677034 510842460 /nfs/dbraw/zinc/84/24/60/510842460.db2.gz BTPPTYLHERVNGS-OAQYLSRUSA-N 0 0 367.493 2.785 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC2CCCC2)nc1 ZINC000263801679 510845442 /nfs/dbraw/zinc/84/54/42/510845442.db2.gz VXWYYSWFFABELN-UHFFFAOYSA-N 0 0 369.421 2.706 20 10 FFCDRN C[C@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)[C@H]1C ZINC000293875864 510883287 /nfs/dbraw/zinc/88/32/87/510883287.db2.gz AZCFWAKLSKVAEZ-QWRGUYRKSA-N 0 0 366.464 2.735 20 10 FFCDRN CCn1cc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cn1 ZINC000275872033 510920607 /nfs/dbraw/zinc/92/06/07/510920607.db2.gz OKYINMQSAXHAQM-UHFFFAOYSA-N 0 0 355.442 2.647 20 10 FFCDRN CC[C@H](N[C@@H](C(N)=O)c1ccccn1)c1cc(Br)ccc1O ZINC000297428713 510942192 /nfs/dbraw/zinc/94/21/92/510942192.db2.gz VDBLPHQDMBGLBN-SWLSCSKDSA-N 0 0 364.243 2.817 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C=Cc2c[nH]cn2)cc1 ZINC000276647442 510944218 /nfs/dbraw/zinc/94/42/18/510944218.db2.gz WEZZVICWGVMKMF-QPGLYAHGSA-N 0 0 354.454 2.697 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](N3CCCC3=O)C2)c(C)n1-c1ccccc1 ZINC000276756184 510945922 /nfs/dbraw/zinc/94/59/22/510945922.db2.gz NDIBAQHTZDQTJC-SFHVURJKSA-N 0 0 351.450 2.931 20 10 FFCDRN COC(=O)c1ccc(NC(=O)NCc2cccc(OC)c2O)c(N(C)C)c1 ZINC000276829905 510947153 /nfs/dbraw/zinc/94/71/53/510947153.db2.gz WNJPLNRQVUVAGS-UHFFFAOYSA-N 0 0 373.409 2.575 20 10 FFCDRN CCc1cnc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000277177714 510955875 /nfs/dbraw/zinc/95/58/75/510955875.db2.gz HOFOWYCCLZTKKL-UHFFFAOYSA-N 0 0 372.494 2.901 20 10 FFCDRN CCCC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000277387583 510961395 /nfs/dbraw/zinc/96/13/95/510961395.db2.gz AHAGTLFMCCGXKH-ZDUSSCGKSA-N 0 0 369.259 2.562 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NOCC1CC1 ZINC000297481955 510962386 /nfs/dbraw/zinc/96/23/86/510962386.db2.gz STVIYEVUZOXGEC-UHFFFAOYSA-N 0 0 373.375 2.683 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)Cn1cnc2sccc2c1=O ZINC000282406896 510963984 /nfs/dbraw/zinc/96/39/84/510963984.db2.gz FSGXRKWCPMRMHG-UHFFFAOYSA-N 0 0 371.462 2.993 20 10 FFCDRN O=C([O-])[C@@H](CSCCOc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277516414 510964648 /nfs/dbraw/zinc/96/46/48/510964648.db2.gz YNXRLPQIWGHBIC-GOSISDBHSA-N 0 0 373.474 2.977 20 10 FFCDRN CC(C)c1nnc(CCC(=O)NCc2cccc(Br)c2O)o1 ZINC000277610594 510967296 /nfs/dbraw/zinc/96/72/96/510967296.db2.gz VHELTUSPFCBLJO-UHFFFAOYSA-N 0 0 368.231 2.910 20 10 FFCDRN COC1CCN(c2ccc(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)cc2)CC1 ZINC000297498478 510968040 /nfs/dbraw/zinc/96/80/40/510968040.db2.gz MXSCHTGATFPESV-JKSUJKDBSA-N 0 0 368.543 2.555 20 10 FFCDRN C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1ccc(F)cc1[O-] ZINC000282418085 510969266 /nfs/dbraw/zinc/96/92/66/510969266.db2.gz CQKUJJFFWZDGCH-AWEZNQCLSA-N 0 0 351.443 2.839 20 10 FFCDRN COc1cc(N(C)Cc2nncn2-c2ccccc2)cc(OC)c1OC ZINC000277776273 510971970 /nfs/dbraw/zinc/97/19/70/510971970.db2.gz RNNILPYWMBECHL-UHFFFAOYSA-N 0 0 354.410 2.930 20 10 FFCDRN COc1ccc(NCc2cc(C)ccc2O)cc1S(=O)(=O)NC1CC1 ZINC000285607573 510976021 /nfs/dbraw/zinc/97/60/21/510976021.db2.gz PVQXHHYLGVMXIU-UHFFFAOYSA-N 0 0 362.451 2.762 20 10 FFCDRN COC(C)(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000278299736 510988562 /nfs/dbraw/zinc/98/85/62/510988562.db2.gz SCEWOLFIVBLTBX-OKILXGFUSA-N 0 0 352.450 2.871 20 10 FFCDRN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N(C)CC(F)(F)F ZINC000278368418 510991396 /nfs/dbraw/zinc/99/13/96/510991396.db2.gz MDQBJNCTHLCEGY-DZGCQCFKSA-N 0 0 374.403 2.782 20 10 FFCDRN O=S1(=O)CCCN1[C@H]1CCC[N@@H+](Cc2c(O)ccc3ccccc32)C1 ZINC000278781398 511007679 /nfs/dbraw/zinc/00/76/79/511007679.db2.gz OIDKGAROJVRLBP-INIZCTEOSA-N 0 0 360.479 2.545 20 10 FFCDRN CS(=O)(=O)c1cccnc1CNCc1ccc(N2CCCCC2)cc1 ZINC000278879584 511011863 /nfs/dbraw/zinc/01/18/63/511011863.db2.gz ZKMSHACNSNDQOA-UHFFFAOYSA-N 0 0 359.495 2.765 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)ccc1[N+](=O)[O-] ZINC000279135554 511019728 /nfs/dbraw/zinc/01/97/28/511019728.db2.gz YQXNLJUKPXGKLZ-CQSZACIVSA-N 0 0 370.764 2.925 20 10 FFCDRN CC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)C(F)(F)F ZINC000270929307 511028162 /nfs/dbraw/zinc/02/81/62/511028162.db2.gz WMCJXLQSYAGXKF-GJZGRUSLSA-N 0 0 357.376 2.564 20 10 FFCDRN CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H](C)[S@]1=O ZINC000286619415 511028777 /nfs/dbraw/zinc/02/87/77/511028777.db2.gz CFIJYKSDCFKVKD-GUXXDCGNSA-N 0 0 359.495 2.861 20 10 FFCDRN CO[C@H](C)CN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000286808648 511032435 /nfs/dbraw/zinc/03/24/35/511032435.db2.gz ZJSDRPBALRTUOO-ILXRZTDVSA-N 0 0 367.465 2.616 20 10 FFCDRN COc1cc(CC2CN(C(=O)c3ccc(C)c(O)c3O)C2)cc(OC)c1 ZINC000364707105 511033673 /nfs/dbraw/zinc/03/36/73/511033673.db2.gz PFHOMJSMPNFKJS-UHFFFAOYSA-N 0 0 357.406 2.738 20 10 FFCDRN CC(C)[C@@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCCO1 ZINC000294381691 511046504 /nfs/dbraw/zinc/04/65/04/511046504.db2.gz LNGIDERUEOFFBW-ZGBFETHSSA-N 0 0 358.482 2.810 20 10 FFCDRN C[C@H]1C[C@@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1 ZINC000287941461 511060656 /nfs/dbraw/zinc/06/06/56/511060656.db2.gz HQKHGBSBUCKSJZ-RDJZCZTQSA-N 0 0 374.481 2.737 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@]1(C)CCCS1 ZINC000288242704 511069153 /nfs/dbraw/zinc/06/91/53/511069153.db2.gz QISDVWKBDIRCNW-SFHVURJKSA-N 0 0 350.484 2.533 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCN(C(C)=O)C1 ZINC000282683559 511073339 /nfs/dbraw/zinc/07/33/39/511073339.db2.gz AFYMLMHVZRLBRI-KRWDZBQOSA-N 0 0 361.486 2.962 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)CNc1ccccc1C(N)=O ZINC000289377109 511099831 /nfs/dbraw/zinc/09/98/31/511099831.db2.gz NEJXPELBKSKMGC-UHFFFAOYSA-N 0 0 355.438 2.732 20 10 FFCDRN CC(=O)C(=O)CSc1nnc(N2CCCC2)n1-c1ccccc1Cl ZINC000289577584 511105434 /nfs/dbraw/zinc/10/54/34/511105434.db2.gz IHABFYXMNZFCGW-UHFFFAOYSA-N 0 0 364.858 2.771 20 10 FFCDRN C[C@@H](NCc1ncnn1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000279501529 511106407 /nfs/dbraw/zinc/10/64/07/511106407.db2.gz MQOYAZHWGOKHAR-QGZVFWFLSA-N 0 0 363.465 2.955 20 10 FFCDRN Cc1nc2ccc(NC(=O)N3CCOc4cc(N(C)C)ccc43)cn2n1 ZINC000289611404 511106840 /nfs/dbraw/zinc/10/68/40/511106840.db2.gz JEIQZIDCTGWHIX-UHFFFAOYSA-N 0 0 352.398 2.535 20 10 FFCDRN NC(=O)c1cc(Cl)nnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000362035343 511122042 /nfs/dbraw/zinc/12/20/42/511122042.db2.gz ZXMXUJAETWGPFD-UHFFFAOYSA-N 0 0 350.209 2.571 20 10 FFCDRN COc1cc(O)c(CN[C@@H](C)c2noc(COC(C)C)n2)cc1OC ZINC000290808192 511151457 /nfs/dbraw/zinc/15/14/57/511151457.db2.gz FWDRRKUKPVRJPF-NSHDSACASA-N 0 0 351.403 2.568 20 10 FFCDRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000282908680 511157593 /nfs/dbraw/zinc/15/75/93/511157593.db2.gz YKSXLDKFNHLOEH-KRWDZBQOSA-N 0 0 353.470 2.679 20 10 FFCDRN COc1cc(O)c(C[NH2+][C@H]2CCN(C(=O)Nc3ccccc3)C2)cc1OC ZINC000282952346 511174695 /nfs/dbraw/zinc/17/46/95/511174695.db2.gz HIOOVBQNRJUCJM-INIZCTEOSA-N 0 0 371.437 2.805 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)N(C)Cc2ccccc2OC)s1 ZINC000294901368 511214631 /nfs/dbraw/zinc/21/46/31/511214631.db2.gz APCQJSDWODRJRR-UHFFFAOYSA-N 0 0 366.464 2.689 20 10 FFCDRN CC[C@@H](COCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000295067187 511269947 /nfs/dbraw/zinc/26/99/47/511269947.db2.gz HCWPJLOXOBGFQT-JTQLQIEISA-N 0 0 352.309 2.756 20 10 FFCDRN CC[C@H](COCC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000295067189 511270138 /nfs/dbraw/zinc/27/01/38/511270138.db2.gz HCWPJLOXOBGFQT-SNVBAGLBSA-N 0 0 352.309 2.756 20 10 FFCDRN COc1cc(C)cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C ZINC000279928378 511270254 /nfs/dbraw/zinc/27/02/54/511270254.db2.gz QTBYIVXQFQNBCR-UHFFFAOYSA-N 0 0 369.465 2.975 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1cccnc1 ZINC000283228271 511287096 /nfs/dbraw/zinc/28/70/96/511287096.db2.gz VIEDDCSJRBZHAB-MRXNPFEDSA-N 0 0 368.481 2.762 20 10 FFCDRN Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000280031851 511311879 /nfs/dbraw/zinc/31/18/79/511311879.db2.gz VZUSIGMTIMLOOA-HOCLYGCPSA-N 0 0 366.868 2.824 20 10 FFCDRN CN(C)C(=O)N1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000298620304 511351010 /nfs/dbraw/zinc/35/10/10/511351010.db2.gz OXMBKSGBIVWDIY-UHFFFAOYSA-N 0 0 372.513 2.637 20 10 FFCDRN CC[C@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(C)cc1O ZINC000280182424 511367747 /nfs/dbraw/zinc/36/77/47/511367747.db2.gz RRWSVRHTSMDADQ-KRWDZBQOSA-N 0 0 355.438 2.869 20 10 FFCDRN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000271983650 511391203 /nfs/dbraw/zinc/39/12/03/511391203.db2.gz XPDOCCVKLJMCEM-UHFFFAOYSA-N 0 0 369.464 2.522 20 10 FFCDRN O=C(COc1ccccc1O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298819042 511420328 /nfs/dbraw/zinc/42/03/28/511420328.db2.gz ZWWXIWPWZYJJAW-INIZCTEOSA-N 0 0 357.406 2.684 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)nc1C ZINC000283608174 511432364 /nfs/dbraw/zinc/43/23/64/511432364.db2.gz MSVNCRBLFRPQSA-UHFFFAOYSA-N 0 0 371.437 2.872 20 10 FFCDRN CCc1nc(C)c(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)o1 ZINC000292043953 511442828 /nfs/dbraw/zinc/44/28/28/511442828.db2.gz AXASKUIOSBCQQN-RMKNXTFCSA-N 0 0 355.438 2.712 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccccc1COC1CCOCC1 ZINC000272362225 511491950 /nfs/dbraw/zinc/49/19/50/511491950.db2.gz SIIGDWGIAUAXRD-UHFFFAOYSA-N 0 0 357.406 2.723 20 10 FFCDRN Cc1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@@H]2C)c(O)c1O ZINC000292179332 511496084 /nfs/dbraw/zinc/49/60/84/511496084.db2.gz FGJHHAUJPFTLCR-LBPRGKRZSA-N 0 0 356.426 2.872 20 10 FFCDRN COc1cc2c(cc1OC)CN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000272504064 511496322 /nfs/dbraw/zinc/49/63/22/511496322.db2.gz TVIRDNYQSCJAMS-GQCTYLIASA-N 0 0 355.390 2.713 20 10 FFCDRN COc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1O ZINC000272594547 511501428 /nfs/dbraw/zinc/50/14/28/511501428.db2.gz JFBYKXDBOZXICX-UHFFFAOYSA-N 0 0 370.449 2.540 20 10 FFCDRN CC(=O)NCc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000272881851 511510854 /nfs/dbraw/zinc/51/08/54/511510854.db2.gz WWJNZUVJQOPBGG-UHFFFAOYSA-N 0 0 368.437 2.820 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000283827015 511512965 /nfs/dbraw/zinc/51/29/65/511512965.db2.gz ZGGYCQZKNCSVJC-HXUWFJFHSA-N 0 0 365.477 2.979 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSCC(=O)c1ccccc1 ZINC000273166183 511518743 /nfs/dbraw/zinc/51/87/43/511518743.db2.gz LOPFJUYLVQMWCF-ZDUSSCGKSA-N 0 0 359.447 2.761 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc4nccnc43)CC2)cc1F ZINC000273221082 511520696 /nfs/dbraw/zinc/52/06/96/511520696.db2.gz DBOLPODMHIGELZ-UHFFFAOYSA-N 0 0 366.396 2.740 20 10 FFCDRN CC(C)OCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000273284902 511521752 /nfs/dbraw/zinc/52/17/52/511521752.db2.gz JOXUBRXJAHNIPG-GJZGRUSLSA-N 0 0 367.465 2.664 20 10 FFCDRN C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273424154 511524449 /nfs/dbraw/zinc/52/44/49/511524449.db2.gz SXZBKHWMBMWMGI-FZMZJTMJSA-N 0 0 350.346 2.530 20 10 FFCDRN C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273403607 511524532 /nfs/dbraw/zinc/52/45/32/511524532.db2.gz NVHTYBVXZFEHBP-CYBMUJFWSA-N 0 0 364.423 2.815 20 10 FFCDRN COc1ccc(OC)c([C@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273415765 511524577 /nfs/dbraw/zinc/52/45/77/511524577.db2.gz QVDFJDUISHPWDE-APPDUMDISA-N 0 0 362.382 2.702 20 10 FFCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@@H]1CCn2ccnc21 ZINC000295824123 511526403 /nfs/dbraw/zinc/52/64/03/511526403.db2.gz DOAAWQBERHXDQQ-MRXNPFEDSA-N 0 0 366.387 2.973 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCc2cccc(C(=O)N(C)C)c2)c1 ZINC000273469114 511527727 /nfs/dbraw/zinc/52/77/27/511527727.db2.gz FGOIHXNRDSEJLM-AWEZNQCLSA-N 0 0 370.449 2.774 20 10 FFCDRN C[C@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000273497633 511529092 /nfs/dbraw/zinc/52/90/92/511529092.db2.gz YAFGNWBEUDRHBR-NSHDSACASA-N 0 0 368.386 2.564 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1noc2c1CCCC2 ZINC000299143808 511530345 /nfs/dbraw/zinc/53/03/45/511530345.db2.gz IMOLLBLJWWADSE-UHFFFAOYSA-N 0 0 373.428 2.584 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCCO2)n1C[C@H]1CCOC1 ZINC000295974370 511573755 /nfs/dbraw/zinc/57/37/55/511573755.db2.gz LUWPIFJNNPBWQU-CRAIPNDOSA-N 0 0 372.469 2.898 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@](CO)(c3ccccc3)C2)cc1OC ZINC000292380603 511575539 /nfs/dbraw/zinc/57/55/39/511575539.db2.gz QCUDRNMCCJBIGA-LJQANCHMSA-N 0 0 358.394 2.752 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCCO2)n1C[C@H]1CCCO1 ZINC000296089864 511616759 /nfs/dbraw/zinc/61/67/59/511616759.db2.gz ULOWSBFHACHIFR-WBVHZDCISA-N 0 0 358.442 2.651 20 10 FFCDRN Cc1n[nH]c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000299454348 511641948 /nfs/dbraw/zinc/64/19/48/511641948.db2.gz UPDDEKQREHWFMK-UHFFFAOYSA-N 0 0 357.414 2.889 20 10 FFCDRN O=C(NCc1ccc(CN2CCCC2=O)cc1)NCc1ccccc1O ZINC000299473031 511650462 /nfs/dbraw/zinc/65/04/62/511650462.db2.gz DTTFONKZGVWBDZ-UHFFFAOYSA-N 0 0 353.422 2.514 20 10 FFCDRN O=C(NCc1cccc(CN2CCCC2=O)c1)NCc1ccccc1O ZINC000299500445 511659901 /nfs/dbraw/zinc/65/99/01/511659901.db2.gz LQBLCKYZUUJDIA-UHFFFAOYSA-N 0 0 353.422 2.514 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000299501818 511661127 /nfs/dbraw/zinc/66/11/27/511661127.db2.gz LXBXIAQFZRPMEX-UHFFFAOYSA-N 0 0 353.422 2.637 20 10 FFCDRN COc1cc([C@@H](C)NC(=O)NCc2ccccc2O)cc(OC)c1OC ZINC000299540574 511661225 /nfs/dbraw/zinc/66/12/25/511661225.db2.gz VIFWQWBOMUQCSD-GFCCVEGCSA-N 0 0 360.410 2.978 20 10 FFCDRN CCCC(=O)Nc1cccc(NC(=O)C(=O)NCc2ccccc2O)c1C ZINC000299538100 511661430 /nfs/dbraw/zinc/66/14/30/511661430.db2.gz UQWIRDMNLJNGRY-UHFFFAOYSA-N 0 0 369.421 2.694 20 10 FFCDRN Oc1cccc2c1[C@@H](Nc1cnn(Cc3nnc4n3CCCC4)c1)CC2 ZINC000296252988 511671859 /nfs/dbraw/zinc/67/18/59/511671859.db2.gz BIHSFJGLERIJMN-HNNXBMFYSA-N 0 0 350.426 2.664 20 10 FFCDRN OC1CCN(c2ccc(CNc3ccc4nccnc4n3)cc2F)CC1 ZINC000301122993 511689011 /nfs/dbraw/zinc/68/90/11/511689011.db2.gz RNKXZJPNCMYTDZ-UHFFFAOYSA-N 0 0 353.401 2.737 20 10 FFCDRN COc1ccc(N2CCC(Nc3ncc(C(N)=O)cc3Cl)CC2)cc1 ZINC000301200009 511689745 /nfs/dbraw/zinc/68/97/45/511689745.db2.gz WDQUIXJHLSEHCW-UHFFFAOYSA-N 0 0 360.845 2.923 20 10 FFCDRN CCNC(=O)c1ccc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc1 ZINC000301239974 511692057 /nfs/dbraw/zinc/69/20/57/511692057.db2.gz NMUXGESXYIGJCF-OAHLLOKOSA-N 0 0 354.454 2.841 20 10 FFCDRN COc1nc(NCc2ccc(N(C)C)cc2)nc(N2CCCCCC2)n1 ZINC000301500333 511696740 /nfs/dbraw/zinc/69/67/40/511696740.db2.gz WTFKJYFGGGRGGE-UHFFFAOYSA-N 0 0 356.474 2.939 20 10 FFCDRN O=C(Nc1ccccc1)c1ccc(NCCc2ccc(O)c(O)c2)nn1 ZINC000301608066 511697758 /nfs/dbraw/zinc/69/77/58/511697758.db2.gz ZSPGLTHGHYDGOI-UHFFFAOYSA-N 0 0 350.378 2.795 20 10 FFCDRN O=C(CSc1nccs1)NC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000284366670 511699148 /nfs/dbraw/zinc/69/91/48/511699148.db2.gz XCOHGNYURUNXGU-UHFFFAOYSA-N 0 0 365.436 2.745 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)c1ncc([N+](=O)[O-])cn1 ZINC000302224390 511708534 /nfs/dbraw/zinc/70/85/34/511708534.db2.gz OBADNXDGLGQNTC-UHFFFAOYSA-N 0 0 353.176 2.879 20 10 FFCDRN CS(=O)(=O)CC1CCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000292867057 511750366 /nfs/dbraw/zinc/75/03/66/511750366.db2.gz VYJRTJLSKMYMHA-UHFFFAOYSA-N 0 0 350.528 2.934 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000274194853 511750652 /nfs/dbraw/zinc/75/06/52/511750652.db2.gz QRTZPCDNBBRBQF-CQSZACIVSA-N 0 0 366.508 2.805 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)cc1 ZINC000296458817 511752496 /nfs/dbraw/zinc/75/24/96/511752496.db2.gz VEFIRQNWOHHFPC-UHFFFAOYSA-N 0 0 366.465 2.726 20 10 FFCDRN O=C(NCc1nccs1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000284558062 511770544 /nfs/dbraw/zinc/77/05/44/511770544.db2.gz YEYLTUCGHAHLKU-UHFFFAOYSA-N 0 0 373.478 2.826 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CCC(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000274350965 511804432 /nfs/dbraw/zinc/80/44/32/511804432.db2.gz GIZIUYHGZBHNJW-UHFFFAOYSA-N 0 0 366.417 2.898 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCC3)c1O ZINC000296615928 511819817 /nfs/dbraw/zinc/81/98/17/511819817.db2.gz SNGIMAJCAKGCQI-UHFFFAOYSA-N 0 0 354.406 2.535 20 10 FFCDRN CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000296641014 511833565 /nfs/dbraw/zinc/83/35/65/511833565.db2.gz YCHOVOOLMTUUNR-ODCWNRFASA-N 0 0 371.474 2.759 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccccn1 ZINC000284781366 511867490 /nfs/dbraw/zinc/86/74/90/511867490.db2.gz JUNSJVGCZQUJHT-MRXNPFEDSA-N 0 0 368.481 2.762 20 10 FFCDRN COC(=O)NCc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000281568276 511892722 /nfs/dbraw/zinc/89/27/22/511892722.db2.gz YVVBQVNGDHMSJW-LBPRGKRZSA-N 0 0 373.409 2.707 20 10 FFCDRN CCn1nc(C)c(CC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1C ZINC000293374110 511941544 /nfs/dbraw/zinc/94/15/44/511941544.db2.gz MJXMOQYGTJDCME-SFHVURJKSA-N 0 0 371.481 2.976 20 10 FFCDRN CCc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000285031969 511976032 /nfs/dbraw/zinc/97/60/32/511976032.db2.gz HTCHNELYFFKPII-UHFFFAOYSA-N 0 0 371.506 2.843 20 10 FFCDRN COCCCOc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000274959091 511999281 /nfs/dbraw/zinc/99/92/81/511999281.db2.gz TUQRUELJRWEGFK-CQSZACIVSA-N 0 0 359.422 2.874 20 10 FFCDRN COc1ccc2c(c1)C=C(C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)CO2 ZINC000274970236 512002225 /nfs/dbraw/zinc/00/22/25/512002225.db2.gz VPYCJQNSDSALBU-GFCCVEGCSA-N 0 0 355.390 2.630 20 10 FFCDRN COCCN1C(=O)CCc2cc(NCc3cc4c(cc3O)OCO4)ccc21 ZINC000275041775 512023367 /nfs/dbraw/zinc/02/33/67/512023367.db2.gz HHIJTASRBNULRJ-UHFFFAOYSA-N 0 0 370.405 2.659 20 10 FFCDRN CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000360023055 512064709 /nfs/dbraw/zinc/06/47/09/512064709.db2.gz QVVVKTUVNSFZNF-QFYYESIMSA-N 0 0 372.252 2.509 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H](C)Cc2cnc3ccccc3n2)c1O ZINC000293735582 512067345 /nfs/dbraw/zinc/06/73/45/512067345.db2.gz PKBVCLOGBUEWQI-ZDUSSCGKSA-N 0 0 351.406 2.839 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)C1(Cc2cccc(F)c2)CCOCC1 ZINC000293790087 512085521 /nfs/dbraw/zinc/08/55/21/512085521.db2.gz UQZYTQXFERJTNK-UHFFFAOYSA-N 0 0 359.397 2.893 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c(O)c1 ZINC000373667223 512449962 /nfs/dbraw/zinc/44/99/62/512449962.db2.gz PDWWRNQBEMKGIY-INIZCTEOSA-N 0 0 374.824 2.724 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)c2c(C)onc2-c2cccnc2)c2ccccc21 ZINC000375762326 512492739 /nfs/dbraw/zinc/49/27/39/512492739.db2.gz XYYMWGHCFLVAER-OAHLLOKOSA-N 0 0 363.373 2.962 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)cc2)CC1 ZINC000377946667 512524121 /nfs/dbraw/zinc/52/41/21/512524121.db2.gz QBERXOZBKVOHEC-YSIASYRMSA-N 0 0 358.482 2.591 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@]2(CCOC2)O1 ZINC000373831698 512526994 /nfs/dbraw/zinc/52/69/94/512526994.db2.gz KIBRGGLWJTVSNO-TZIWHRDSSA-N 0 0 371.481 2.542 20 10 FFCDRN O=C(NCCc1cn2c(n1)CCCC2)NCc1c(O)ccc2c1CCCC2 ZINC000369752941 512590449 /nfs/dbraw/zinc/59/04/49/512590449.db2.gz LVQHCXQFHWOFAE-UHFFFAOYSA-N 0 0 368.481 2.846 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000367680466 512612498 /nfs/dbraw/zinc/61/24/98/512612498.db2.gz AJLFQXZEOUZIAB-KBPBESRZSA-N 0 0 350.415 2.948 20 10 FFCDRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N)cc2)c(OC)c1 ZINC000372024788 512683771 /nfs/dbraw/zinc/68/37/71/512683771.db2.gz CNBOMQPKNPCBOS-QGZVFWFLSA-N 0 0 369.421 2.529 20 10 FFCDRN CC(=O)c1ccc2c(c1)CCN(C(=O)C=Cc1ccc(O)c(O)c1)CC2 ZINC000368018182 512765903 /nfs/dbraw/zinc/76/59/03/512765903.db2.gz GYKXPVAAOQHJTP-XVNBXDOJSA-N 0 0 351.402 2.941 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nnc2n1CCCCC2 ZINC000370794177 513102885 /nfs/dbraw/zinc/10/28/85/513102885.db2.gz AVYLXYCVXQPFLT-OAHLLOKOSA-N 0 0 370.501 2.973 20 10 FFCDRN COc1ccc(C(C)=O)cc1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000437008544 514073605 /nfs/dbraw/zinc/07/36/05/514073605.db2.gz SOLNBMOZSMWGMQ-UHFFFAOYSA-N 0 0 368.433 2.932 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC1(C(=O)N(C)C)CCCC1 ZINC000471889166 515042692 /nfs/dbraw/zinc/04/26/92/515042692.db2.gz NQDBTGHUQDPQSS-UHFFFAOYSA-N 0 0 370.497 2.935 20 10 FFCDRN CNc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cccc1[N+](=O)[O-] ZINC000463003280 515330636 /nfs/dbraw/zinc/33/06/36/515330636.db2.gz WEBOOOMXKFMHQM-UHFFFAOYSA-N 0 0 356.382 2.742 20 10 FFCDRN CC(=O)c1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000472782974 515394912 /nfs/dbraw/zinc/39/49/12/515394912.db2.gz DNYKVSXIJLZMMT-UHFFFAOYSA-N 0 0 363.417 2.944 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(CNC(N)=O)cc1 ZINC000473278472 515560588 /nfs/dbraw/zinc/56/05/88/515560588.db2.gz DQDISCVCQXQZSR-UHFFFAOYSA-N 0 0 350.422 2.585 20 10 FFCDRN Cn1cc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c(C(F)F)n1 ZINC000460879362 516274029 /nfs/dbraw/zinc/27/40/29/516274029.db2.gz WYHWVXYAUZPECD-TWGQIWQCSA-N 0 0 373.319 2.920 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1ccc(F)cc1F ZINC000540938675 516785945 /nfs/dbraw/zinc/78/59/45/516785945.db2.gz BKTGCONJHGYEKK-UHFFFAOYSA-N 0 0 368.405 2.760 20 10 FFCDRN COC1(c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)CCC1 ZINC000545101001 517053466 /nfs/dbraw/zinc/05/34/66/517053466.db2.gz GARIDOGDFUPDTQ-UHFFFAOYSA-N 0 0 355.419 2.978 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000525920551 517233900 /nfs/dbraw/zinc/23/39/00/517233900.db2.gz RDZNYNGPPHMDDT-FOIQADDNSA-N 0 0 357.454 2.624 20 10 FFCDRN CCO[C@@H]1COCC[C@@H]1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000546054989 517516887 /nfs/dbraw/zinc/51/68/87/517516887.db2.gz NNKPINJERXJSGW-AZUAARDMSA-N 0 0 374.481 2.828 20 10 FFCDRN O=C1CN(Cc2ccccc2O)C(=O)N1C[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000530203241 517625274 /nfs/dbraw/zinc/62/52/74/517625274.db2.gz QWHHXCSQRAJTMK-KRWDZBQOSA-N 0 0 357.454 2.563 20 10 FFCDRN CC(C)n1nnnc1-c1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000527747859 517888921 /nfs/dbraw/zinc/88/89/21/517888921.db2.gz YIEISGPBDOUCPU-UHFFFAOYSA-N 0 0 353.382 2.967 20 10 FFCDRN C[C@H]([NH2+]C[C@H](O)[C@@H]1CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000527958386 518012855 /nfs/dbraw/zinc/01/28/55/518012855.db2.gz VPUJVFOIYLXJTQ-HJIKLVIJSA-N 0 0 364.667 2.999 20 10 FFCDRN O=C(Nc1c(C2=S=CC=C2)nc2ccccn21)c1ccc([N+](=O)[O-])o1 ZINC000564116714 518312541 /nfs/dbraw/zinc/31/25/41/518312541.db2.gz UQIWXHOSGJSUOM-UHFFFAOYSA-N 0 0 354.347 2.714 20 10 FFCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cn(C2CCC2)nn1 ZINC000594695352 520094191 /nfs/dbraw/zinc/09/41/91/520094191.db2.gz FCWVTZMILDVXAL-DHZHZOJOSA-N 0 0 364.365 2.566 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCNC(=O)C1CCCCC1 ZINC000608250367 521638143 /nfs/dbraw/zinc/63/81/43/521638143.db2.gz SFPBFKUGPNFKML-UHFFFAOYSA-N 0 0 359.470 2.565 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C[C@@H]1CCC(F)(F)C1 ZINC000632051679 521852780 /nfs/dbraw/zinc/85/27/80/521852780.db2.gz UERGUUKWHGKKOY-GFCCVEGCSA-N 0 0 360.426 2.717 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](C)[C@H](CO)C3)ccc21 ZINC000622227269 523340369 /nfs/dbraw/zinc/34/03/69/523340369.db2.gz IEYPXSSVRHVLJD-KSSFIOAISA-N 0 0 358.482 2.995 20 10 FFCDRN Cc1c(NC(=O)NCc2ccc(N(C)C)cc2)cccc1-c1nn[nH]n1 ZINC000822105039 607285929 /nfs/dbraw/zinc/28/59/29/607285929.db2.gz TWJZQHQECBHDPO-UHFFFAOYSA-N 0 0 351.414 2.563 20 10 FFCDRN Cc1cc(C(=O)Nc2ccncc2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737445934 598426082 /nfs/dbraw/zinc/42/60/82/598426082.db2.gz LVKLINMZWJYEAT-UHFFFAOYSA-N 0 0 373.420 2.652 20 10 FFCDRN CCC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736304944 598622582 /nfs/dbraw/zinc/62/25/82/598622582.db2.gz SGDDDTUMCWVAAT-CYBMUJFWSA-N 0 0 367.409 2.799 20 10 FFCDRN COc1ccc(O)c([C@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c1 ZINC000737104916 598755963 /nfs/dbraw/zinc/75/59/63/598755963.db2.gz AZCCARNRLUZJDY-VIFPVBQESA-N 0 0 356.342 2.662 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000737106253 598782441 /nfs/dbraw/zinc/78/24/41/598782441.db2.gz QLAUXPHZIBSURP-VIFPVBQESA-N 0 0 372.360 2.603 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]32)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737233345 599572987 /nfs/dbraw/zinc/57/29/87/599572987.db2.gz DQVFXRIZWSEGEX-MAUKXSAKSA-N 0 0 362.437 2.899 20 10 FFCDRN COc1ccc(N2CC[NH+](Cc3ccsc3C(=O)[O-])CC2)cc1F ZINC000832384248 601493689 /nfs/dbraw/zinc/49/36/89/601493689.db2.gz VVMYZDXBBCPITK-UHFFFAOYSA-N 0 0 350.415 2.916 20 10 FFCDRN C[C@H](c1ccccc1)[N@H+](CC(=O)NCCC(=O)[O-])Cc1ccccc1O ZINC000827948803 601762113 /nfs/dbraw/zinc/76/21/13/601762113.db2.gz DXZYTLSADQRQKD-OAHLLOKOSA-N 0 0 356.422 2.546 20 10 FFCDRN CC(C)C[C@](C)(CNC(=O)[O-])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000738804071 603246398 /nfs/dbraw/zinc/24/63/98/603246398.db2.gz FXKGSMTXWGGYAD-LJQANCHMSA-N 0 0 367.465 2.824 20 10 FFCDRN Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@@H](C)NC(=O)[O-])C2)c1O ZINC000833896943 605655284 /nfs/dbraw/zinc/65/52/84/605655284.db2.gz BRYMMHIUTKPBRL-MNOVXSKESA-N 0 0 357.248 2.941 20 10 FFCDRN Cc1cc(C(=O)NC2(C3CC3)CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168109 606761370 /nfs/dbraw/zinc/76/13/70/606761370.db2.gz LQKTZHFQGIWXGK-UHFFFAOYSA-N 0 0 362.437 2.947 20 10 FFCDRN O=C1C(=Cc2ccccc2-c2nn[nH]n2)SC(=S)N1c1cccnc1 ZINC000826476833 607883901 /nfs/dbraw/zinc/88/39/01/607883901.db2.gz QAIGBGDTJYJBMD-MDWZMJQESA-N 0 0 366.431 2.668 20 10 FFCDRN O=C1C(=Cc2ccccc2-c2nn[nH]n2)SC(=S)N1c1cccnc1 ZINC000826476832 607883968 /nfs/dbraw/zinc/88/39/68/607883968.db2.gz QAIGBGDTJYJBMD-JYRVWZFOSA-N 0 0 366.431 2.668 20 10 FFCDRN CCOC(=O)N[C@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000153951594 728792242 /nfs/dbraw/zinc/79/22/42/728792242.db2.gz NLRGEPUMYQIZAJ-ZDUSSCGKSA-N 0 0 357.248 2.865 20 10 FFCDRN Cc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(Br)n1 ZINC000159824219 728912988 /nfs/dbraw/zinc/91/29/88/728912988.db2.gz JRKAKCVRDHFKSW-UHFFFAOYSA-N 0 0 351.200 2.536 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000161178969 728929538 /nfs/dbraw/zinc/92/95/38/728929538.db2.gz GENMZDOIORIXAS-QMMMGPOBSA-N 0 0 361.341 2.858 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)Cc3c(F)cccc3F)ccc21 ZINC000161720805 728935586 /nfs/dbraw/zinc/93/55/86/728935586.db2.gz WLJQWAZMYONXHN-UHFFFAOYSA-N 0 0 366.433 2.967 20 10 FFCDRN CC(C)[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCS1 ZINC000743559671 735305440 /nfs/dbraw/zinc/30/54/40/735305440.db2.gz LOJWMSXUCFCAML-SFHVURJKSA-N 0 0 363.527 2.806 20 10 FFCDRN CS[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000743554057 735305554 /nfs/dbraw/zinc/30/55/54/735305554.db2.gz WJQVEWXHOVPMIH-GJZGRUSLSA-N 0 0 367.490 2.746 20 10 FFCDRN COC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)C ZINC000743637056 735311476 /nfs/dbraw/zinc/31/14/76/735311476.db2.gz JCKVCNCUWOAXEB-KRWDZBQOSA-N 0 0 351.516 2.710 20 10 FFCDRN Cc1ncccc1CCNC(=O)NCc1cccc(Br)c1O ZINC000898926710 735423705 /nfs/dbraw/zinc/42/37/05/735423705.db2.gz IYSBGFPLUCKMGE-UHFFFAOYSA-N 0 0 364.243 2.900 20 10 FFCDRN CSCCCNC(=S)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000007435610 727793225 /nfs/dbraw/zinc/79/32/25/727793225.db2.gz CYIMNODEDLRMFN-UHFFFAOYSA-N 0 0 353.557 2.583 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C\c2cccc(OC)c2)SC1=S ZINC000008494454 727802455 /nfs/dbraw/zinc/80/24/55/727802455.db2.gz OVUKGWHFLQPAGB-JLHYYAGUSA-N 0 0 351.449 2.850 20 10 FFCDRN CCc1onc(C)c1/C=C1/SC(=S)N(CCCC(=O)OC)C1=O ZINC000899260874 735467560 /nfs/dbraw/zinc/46/75/60/735467560.db2.gz TXARZPXFDGFKFA-XYOKQWHBSA-N 0 0 354.453 2.700 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSc3nc(C)c(C)o3)CC2)cc1 ZINC000046028264 728012218 /nfs/dbraw/zinc/01/22/18/728012218.db2.gz BTSQOFICGGGBPP-UHFFFAOYSA-N 0 0 361.467 2.741 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2CC(=O)NCc1cccc(Cl)c1 ZINC000746495721 735488736 /nfs/dbraw/zinc/48/87/36/735488736.db2.gz DNJWYULGKSPTFU-UHFFFAOYSA-N 0 0 359.857 2.921 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2CC(=O)NCc1ccc(Cl)cc1 ZINC000746497904 735489087 /nfs/dbraw/zinc/48/90/87/735489087.db2.gz UXWWZEAIYYWKHF-UHFFFAOYSA-N 0 0 359.857 2.921 20 10 FFCDRN CC[NH+](CC)CCN(CCOC)Cc1cccc(Br)c1[O-] ZINC000093103903 728473977 /nfs/dbraw/zinc/47/39/77/728473977.db2.gz XGPQUOYRXKBHKL-UHFFFAOYSA-N 0 0 359.308 2.945 20 10 FFCDRN CCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cccc(Br)c1[O-])CC2 ZINC000093613908 728476767 /nfs/dbraw/zinc/47/67/67/728476767.db2.gz CGAXNEPVHXVDBH-CABCVRRESA-N 0 0 370.287 2.907 20 10 FFCDRN COc1cc(Br)cc(CN2CC[C@@](O)(C(F)(F)F)C2)c1O ZINC000093611586 728476799 /nfs/dbraw/zinc/47/67/99/728476799.db2.gz LZWKXZUBQLSCCX-LBPRGKRZSA-N 0 0 370.165 2.662 20 10 FFCDRN CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(C)cc1 ZINC000093905355 728478277 /nfs/dbraw/zinc/47/82/77/728478277.db2.gz FWBWJZUOFAAEGS-INIZCTEOSA-N 0 0 362.451 2.953 20 10 FFCDRN CCc1nnc(NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000102524276 728491127 /nfs/dbraw/zinc/49/11/27/728491127.db2.gz KOPPAUWVLNNZSH-UHFFFAOYSA-N 0 0 361.471 2.900 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(Br)cc2O)c1O ZINC000105649447 728507662 /nfs/dbraw/zinc/50/76/62/728507662.db2.gz LMTZDIJZCOHNLS-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN Cc1nc(Cl)cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000116497674 728571908 /nfs/dbraw/zinc/57/19/08/728571908.db2.gz RIVSZMRDVHNEFN-CQSZACIVSA-N 0 0 359.861 2.752 20 10 FFCDRN COc1ccc(S(=O)(=O)NCCCSc2nccs2)cc1F ZINC000117365209 728578270 /nfs/dbraw/zinc/57/82/70/728578270.db2.gz AKQUHOJWVVRBBS-UHFFFAOYSA-N 0 0 362.473 2.752 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@H]3CSCCS3)CC2)cc1F ZINC000120674132 728614201 /nfs/dbraw/zinc/61/42/01/728614201.db2.gz MFMMSZFCSHNWKO-AWEZNQCLSA-N 0 0 370.515 2.722 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCc2ccc3c(c2)OCO3)cc1Cl ZINC000121934691 728642201 /nfs/dbraw/zinc/64/22/01/728642201.db2.gz GGLSLIRLZLIQIR-UHFFFAOYSA-N 0 0 362.813 2.830 20 10 FFCDRN Cc1ccc(-c2nc(C(=O)NCCc3ccc(O)c(O)c3)cs2)n1C ZINC000122567978 728648978 /nfs/dbraw/zinc/64/89/78/728648978.db2.gz HCPJYOAJOIWHCF-UHFFFAOYSA-N 0 0 357.435 2.841 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)CS(=O)(=O)C(C)(C)C)cc2)CC1 ZINC000130222098 728715983 /nfs/dbraw/zinc/71/59/83/728715983.db2.gz CQSMDDQWZNBQJO-UHFFFAOYSA-N 0 0 366.527 2.752 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CSCC(=O)OC(C)(C)C)cc1 ZINC000130968004 728721104 /nfs/dbraw/zinc/72/11/04/728721104.db2.gz MVIIDEKSIYNEIV-UHFFFAOYSA-N 0 0 352.500 2.786 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCOC1 ZINC000133488192 728727062 /nfs/dbraw/zinc/72/70/62/728727062.db2.gz BOMIIXXDGUKEFO-SECBINFHSA-N 0 0 351.038 2.796 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCN1CC(F)(F)F ZINC000135529843 728738526 /nfs/dbraw/zinc/73/85/26/728738526.db2.gz JBFBVZNHKJSZQJ-CYBMUJFWSA-N 0 0 358.408 2.531 20 10 FFCDRN COCc1nc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000145762013 728742726 /nfs/dbraw/zinc/74/27/26/728742726.db2.gz CARLPMLGJASCJP-CYBMUJFWSA-N 0 0 361.467 2.617 20 10 FFCDRN CCOCCS(=O)(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000171085441 728996972 /nfs/dbraw/zinc/99/69/72/728996972.db2.gz WEXZXXYYWVNBIJ-UHFFFAOYSA-N 0 0 354.516 2.911 20 10 FFCDRN Nc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc(Cl)n1 ZINC000171195963 728999833 /nfs/dbraw/zinc/99/98/33/728999833.db2.gz YBKBFXPUDHGBEP-UHFFFAOYSA-N 0 0 362.886 2.800 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)c1 ZINC000172083016 729019311 /nfs/dbraw/zinc/01/93/11/729019311.db2.gz QPSUUEZVUVSNJR-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN CC(C)CS(=O)(=O)CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000173670579 729052053 /nfs/dbraw/zinc/05/20/53/729052053.db2.gz CAZUUHPMHFTXAY-UHFFFAOYSA-N 0 0 365.451 2.585 20 10 FFCDRN Cc1ccc(C(=O)NCCOc2ccc(C(F)(F)F)cn2)c(O)c1O ZINC000179545922 729188154 /nfs/dbraw/zinc/18/81/54/729188154.db2.gz KEHKYWBPHAONBZ-UHFFFAOYSA-N 0 0 356.300 2.629 20 10 FFCDRN CCn1cc(-c2n[nH]cc2C(=O)NCCCSc2nccs2)cn1 ZINC000778821338 738414572 /nfs/dbraw/zinc/41/45/72/738414572.db2.gz YLSJUKLQQKYZMV-UHFFFAOYSA-N 0 0 362.484 2.662 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000184846640 729334542 /nfs/dbraw/zinc/33/45/42/729334542.db2.gz CQDWWJPATBBZRK-UHFFFAOYSA-N 0 0 367.333 2.759 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000185299860 729346272 /nfs/dbraw/zinc/34/62/72/729346272.db2.gz YKGPQXRDVOKTPE-ZDUSSCGKSA-N 0 0 364.442 2.922 20 10 FFCDRN O=[N+]([O-])c1cccc(S(=O)(=O)NCCCSc2nccs2)c1 ZINC000185791630 729356729 /nfs/dbraw/zinc/35/67/29/729356729.db2.gz MYBSSDHCBJFERJ-UHFFFAOYSA-N 0 0 359.454 2.512 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N(C)C[C@H](O)C(F)(F)F)cc1F ZINC000186092341 729360529 /nfs/dbraw/zinc/36/05/29/729360529.db2.gz KSHBGLFLHGHDMB-AWEZNQCLSA-N 0 0 365.371 2.737 20 10 FFCDRN CCN(C[C@H](O)C(F)(F)F)C(=O)NCCCSc1nccs1 ZINC000187554396 729378353 /nfs/dbraw/zinc/37/83/53/729378353.db2.gz YRMFHJSQKFKBNQ-VIFPVBQESA-N 0 0 357.423 2.580 20 10 FFCDRN CC(C)C[C@@H](CO)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000188419471 729388064 /nfs/dbraw/zinc/38/80/64/729388064.db2.gz WLZKBSKERQCGEK-SFHVURJKSA-N 0 0 365.543 2.788 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)CCOCC(F)(F)C(F)F)c1 ZINC000189553800 729400328 /nfs/dbraw/zinc/40/03/28/729400328.db2.gz CJXZAONYSAVOEH-VIFPVBQESA-N 0 0 353.312 2.885 20 10 FFCDRN Nc1ccc(CCNS(=O)(=O)c2ccc(CC(F)(F)F)cc2)cc1 ZINC000193337369 729475056 /nfs/dbraw/zinc/47/50/56/729475056.db2.gz GWXPNDCXEAXHFH-UHFFFAOYSA-N 0 0 358.385 2.895 20 10 FFCDRN CN(C)c1ccnc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000195254318 729534212 /nfs/dbraw/zinc/53/42/12/729534212.db2.gz ZHFLQNGIRMFVLB-UHFFFAOYSA-N 0 0 356.495 2.631 20 10 FFCDRN Cc1cc(Br)cc([C@H](C)NCc2nnnn2C2CC2)c1O ZINC000779037635 738431254 /nfs/dbraw/zinc/43/12/54/738431254.db2.gz WCCDPTUIKLEXNO-VIFPVBQESA-N 0 0 352.236 2.635 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc(Br)c(F)cc1[O-] ZINC000779069596 738433808 /nfs/dbraw/zinc/43/38/08/738433808.db2.gz WAQDECXRZCPVQT-ZETCQYMHSA-N 0 0 357.179 2.837 20 10 FFCDRN Cn1c(CNC(=O)/C=C\c2ccc(O)c(O)c2)nc2cc(Cl)ccc21 ZINC000779232005 738445389 /nfs/dbraw/zinc/44/53/89/738445389.db2.gz QZRMNHCOQGFAQG-CLTKARDFSA-N 0 0 357.797 2.968 20 10 FFCDRN C[C@@H]1CCN2C(=O)N(Cc3ccc(N4CCSCC4)cc3)C(=O)[C@H]2C1 ZINC000761098372 736695704 /nfs/dbraw/zinc/69/57/04/736695704.db2.gz LTMFPJYEHSWURC-RHSMWYFYSA-N 0 0 359.495 2.803 20 10 FFCDRN Cc1cc(Br)cc(C[NH2+]C2(c3nnn[n-]3)CCCC2)c1O ZINC000779432663 738463769 /nfs/dbraw/zinc/46/37/69/738463769.db2.gz YYPYEMDSVDKDMZ-UHFFFAOYSA-N 0 0 352.236 2.535 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(Cl)ccc1O ZINC000856209775 730316053 /nfs/dbraw/zinc/31/60/53/730316053.db2.gz AZRQWTBSLUYCPR-UHFFFAOYSA-N 0 0 360.841 2.937 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1cnc(Br)cn1 ZINC000856723043 730350069 /nfs/dbraw/zinc/35/00/69/730350069.db2.gz VMUKQMNIFPACAX-UHFFFAOYSA-N 0 0 363.259 2.712 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC(=O)OCc1ccccc1Cl ZINC000779520087 738468854 /nfs/dbraw/zinc/46/88/54/738468854.db2.gz HGQREODGNUYPHK-VURMDHGXSA-N 0 0 361.781 2.624 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCC[C@H]3CC3(F)F)CC2)cc1 ZINC000856883232 730363974 /nfs/dbraw/zinc/36/39/74/730363974.db2.gz FETHANACKRFWHR-AWEZNQCLSA-N 0 0 353.413 2.962 20 10 FFCDRN O=C(Cc1cc(F)cc2c1OCOC2)NCc1cc(Cl)ccc1O ZINC000857547814 730399226 /nfs/dbraw/zinc/39/92/26/730399226.db2.gz VCULDPDHBGFCIK-UHFFFAOYSA-N 0 0 351.761 2.910 20 10 FFCDRN CN(C)c1cc(F)c(CNCc2cccc(NS(C)(=O)=O)c2)cc1F ZINC000858089856 730416156 /nfs/dbraw/zinc/41/61/56/730416156.db2.gz BZSCIIMZAZJZEB-UHFFFAOYSA-N 0 0 369.437 2.692 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)c2ncc(Br)cn2)c1 ZINC000858487757 730427009 /nfs/dbraw/zinc/42/70/09/730427009.db2.gz HRQPDHANEQLNQW-SNVBAGLBSA-N 0 0 365.231 2.814 20 10 FFCDRN CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000858498501 730427252 /nfs/dbraw/zinc/42/72/52/730427252.db2.gz QFCFKONIQGLITE-RBSFLKMASA-N 0 0 360.907 2.947 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2c(C(F)(F)F)cnn2C)cc1 ZINC000858687257 730431515 /nfs/dbraw/zinc/43/15/15/730431515.db2.gz JHCHVNOYKMKQFR-UHFFFAOYSA-N 0 0 355.364 2.504 20 10 FFCDRN CCO[C@H](CS(=O)(=O)NCc1ccc(N(CC)CC)cc1)C1CC1 ZINC000858909231 730436353 /nfs/dbraw/zinc/43/63/53/730436353.db2.gz ODCYGTYUNZBTKA-GOSISDBHSA-N 0 0 354.516 2.767 20 10 FFCDRN CC[S@@](=O)CCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC000859320266 730450048 /nfs/dbraw/zinc/45/00/48/730450048.db2.gz GBLQODORJAMJOA-RUZDIDTESA-N 0 0 360.479 2.713 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ocnc3C(F)F)CC2)cc1F ZINC000859966267 730470668 /nfs/dbraw/zinc/47/06/68/730470668.db2.gz SLDONUDWESMHDG-UHFFFAOYSA-N 0 0 355.316 2.722 20 10 FFCDRN CS[C@H](CO)[C@H](C)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000860162390 730482609 /nfs/dbraw/zinc/48/26/09/730482609.db2.gz NSDYWEAFXKDZHP-SCLBCKFNSA-N 0 0 360.479 2.749 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H](C)C[S@](C)=O)ccc1C ZINC000860761981 730544770 /nfs/dbraw/zinc/54/47/70/730544770.db2.gz YNNURSRSEBFHFX-SHZVTRLKSA-N 0 0 360.479 2.712 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CCC2(CCC2)O1 ZINC000925104544 738478632 /nfs/dbraw/zinc/47/86/32/738478632.db2.gz VVAZICQPVBYVIF-AWEZNQCLSA-N 0 0 364.829 2.912 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(C)nc4sccn43)C2)cc1 ZINC000862159658 730672388 /nfs/dbraw/zinc/67/23/88/730672388.db2.gz VQQZLUWEIGZWHZ-CYBMUJFWSA-N 0 0 356.451 2.722 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)cc1F ZINC000862243020 730680755 /nfs/dbraw/zinc/68/07/55/730680755.db2.gz ANTHCRGRUPCCBG-NVXWUHKLSA-N 0 0 358.454 2.572 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCN(c3cccc(F)n3)CC2)cc1F ZINC000862386583 730695265 /nfs/dbraw/zinc/69/52/65/730695265.db2.gz UWYUXOVEGHEXGS-UHFFFAOYSA-N 0 0 350.388 2.887 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2c(Br)nc3n2CCC3)c1 ZINC000862755298 730723387 /nfs/dbraw/zinc/72/33/87/730723387.db2.gz QEYSPFDYUYCVKA-UHFFFAOYSA-N 0 0 350.216 2.536 20 10 FFCDRN Cc1cc(CC(=O)N[C@H]2COCCC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000862932854 730735797 /nfs/dbraw/zinc/73/57/97/730735797.db2.gz UQJHAHOLYGKQMU-KRWDZBQOSA-N 0 0 360.841 2.764 20 10 FFCDRN CC(=O)N1CSC[C@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863165157 730753572 /nfs/dbraw/zinc/75/35/72/730753572.db2.gz LMWAEOHOAYELRZ-SFHVURJKSA-N 0 0 357.479 2.632 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cn(CC)c(C)n2)cc1 ZINC000767236729 737304241 /nfs/dbraw/zinc/30/42/41/737304241.db2.gz KRBGMJDJSNNXCQ-UHFFFAOYSA-N 0 0 350.488 2.536 20 10 FFCDRN O=C(CC(F)(F)C(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000864932332 730893220 /nfs/dbraw/zinc/89/32/20/730893220.db2.gz XBNOZJSRSYBWAU-UHFFFAOYSA-N 0 0 370.293 2.866 20 10 FFCDRN COCCNC(=O)c1cc(NCCCSc2nccs2)ccn1 ZINC000865536664 730967458 /nfs/dbraw/zinc/96/74/58/730967458.db2.gz HHOZNPWCPTWLMU-UHFFFAOYSA-N 0 0 352.485 2.509 20 10 FFCDRN COc1cccc(CNC(=O)c2cnn(C(C)C)c2Br)c1O ZINC000866764252 731096644 /nfs/dbraw/zinc/09/66/44/731096644.db2.gz RLLYCPSGEPTCEW-UHFFFAOYSA-N 0 0 368.231 2.871 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cnn(CC2CC2)c1 ZINC000867830582 731231432 /nfs/dbraw/zinc/23/14/32/731231432.db2.gz CKOJXYOKPOULLP-UHFFFAOYSA-N 0 0 350.216 2.691 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1C[C@H]1C(F)(F)F ZINC000868117050 731260756 /nfs/dbraw/zinc/26/07/56/731260756.db2.gz OXCNVDWHVSVRQM-ZIAGYGMSSA-N 0 0 359.417 2.990 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cnn(C(F)F)c3)C2)cc1 ZINC000868957191 731348501 /nfs/dbraw/zinc/34/85/01/731348501.db2.gz XWRRDFSHFCLLRR-LBPRGKRZSA-N 0 0 350.369 2.543 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1 ZINC000868989412 731352674 /nfs/dbraw/zinc/35/26/74/731352674.db2.gz QBAXNNPQMIUHGA-HUUCEWRRSA-N 0 0 357.376 2.914 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2nn(C)cc2C(F)F)c1 ZINC000869108815 731364479 /nfs/dbraw/zinc/36/44/79/731364479.db2.gz COBNUUJACPRPGH-SECBINFHSA-N 0 0 354.357 2.632 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c1 ZINC000872109284 731730622 /nfs/dbraw/zinc/73/06/22/731730622.db2.gz KKRIVWCQEXARQA-JTQLQIEISA-N 0 0 357.332 2.745 20 10 FFCDRN CC(C)(C)[S@@](C)(=O)=NS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000872436238 731767078 /nfs/dbraw/zinc/76/70/78/731767078.db2.gz WFVSSEMOMFWSJD-HSZRJFAPSA-N 0 0 373.544 2.518 20 10 FFCDRN Cc1nccnc1[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000873243859 731895218 /nfs/dbraw/zinc/89/52/18/731895218.db2.gz NTLNSGXOIHRNOT-SNVBAGLBSA-N 0 0 365.231 2.814 20 10 FFCDRN CCOC1CC2(C[C@@H]2NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000873279018 731896617 /nfs/dbraw/zinc/89/66/17/731896617.db2.gz GZLZMOMLZSCHSG-UGWHAMFMSA-N 0 0 369.259 2.912 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)C[C@@H]3CCCS3(=O)=O)cc2)CC1 ZINC000874445705 732058763 /nfs/dbraw/zinc/05/87/63/732058763.db2.gz HOEIURMHYCAYKH-SFHVURJKSA-N 0 0 364.511 2.506 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@H]1CC(C(F)(F)F)=NO1 ZINC000875374530 732149301 /nfs/dbraw/zinc/14/93/01/732149301.db2.gz KUNWEAYTNVCNPP-QMMMGPOBSA-N 0 0 368.406 2.632 20 10 FFCDRN CCOc1ccc(NCc2c(C)cccc2O)cc1S(=O)(=O)N(C)C ZINC000877514423 732377636 /nfs/dbraw/zinc/37/76/36/732377636.db2.gz NIBHLNGASYZEMW-UHFFFAOYSA-N 0 0 364.467 2.962 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@](C)(C(F)F)O1 ZINC000877644188 732404338 /nfs/dbraw/zinc/40/43/38/732404338.db2.gz SEVMKEWQMKBKIV-KUHUBIRLSA-N 0 0 354.441 2.892 20 10 FFCDRN CCN(CC)c1ccc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)cc1F ZINC000877789827 732432134 /nfs/dbraw/zinc/43/21/34/732432134.db2.gz CSLYRWMOWJQAPG-HOTGVXAUSA-N 0 0 354.491 2.538 20 10 FFCDRN O=C1N[C@H](c2c(O)cccc2Br)N2CCc3ccccc3[C@H]12 ZINC000877857018 732445367 /nfs/dbraw/zinc/44/53/67/732445367.db2.gz KJCHIQHYCXBKBB-CVEARBPZSA-N 0 0 359.223 2.883 20 10 FFCDRN C[C@@H](NCc1nccn1CC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000878358006 732519444 /nfs/dbraw/zinc/51/94/44/732519444.db2.gz JSXPKABTSZFVOO-CQSZACIVSA-N 0 0 350.413 2.836 20 10 FFCDRN CCOC(=O)c1ncc(CN(C)c2ccc(OCC(=O)OC)cc2)s1 ZINC000878407475 732527921 /nfs/dbraw/zinc/52/79/21/732527921.db2.gz TUWVBEXAPDPBPS-UHFFFAOYSA-N 0 0 364.423 2.508 20 10 FFCDRN COC(=O)[C@@H](Cc1cncs1)NCc1cc(Cl)cc(C(C)=O)c1O ZINC000879993621 732815665 /nfs/dbraw/zinc/81/56/65/732815665.db2.gz YVYNBIRQPPEAPR-CQSZACIVSA-N 0 0 368.842 2.579 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cn(C)nc1Br ZINC000880047188 732830480 /nfs/dbraw/zinc/83/04/80/732830480.db2.gz KBNJJEOCZPHYJN-UHFFFAOYSA-N 0 0 366.263 2.879 20 10 FFCDRN Cc1cc(NC(=O)NCc2ccc(N(C)C)cc2)cc(S(C)(=O)=O)c1 ZINC000880848967 732976492 /nfs/dbraw/zinc/97/64/92/732976492.db2.gz NHVASAROVYCYET-UHFFFAOYSA-N 0 0 361.467 2.786 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(F)F ZINC000881282657 733035134 /nfs/dbraw/zinc/03/51/34/733035134.db2.gz PICYCQGGNWTHNQ-IJLUTSLNSA-N 0 0 359.392 2.892 20 10 FFCDRN CNC(=O)CC1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781913279 738672287 /nfs/dbraw/zinc/67/22/87/738672287.db2.gz RQYGQLAZOQTSFB-UHFFFAOYSA-N 0 0 355.276 2.811 20 10 FFCDRN Cc1nc([C@@H]2COCCN2Cc2cc(C)cc(Br)c2O)no1 ZINC000781920524 738673061 /nfs/dbraw/zinc/67/30/61/738673061.db2.gz NCNSXZXPSGFDOJ-ZDUSSCGKSA-N 0 0 368.231 2.728 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)cc1 ZINC000881773804 733105454 /nfs/dbraw/zinc/10/54/54/733105454.db2.gz FSOHSKBWHKPVMA-KSZLIROESA-N 0 0 352.500 2.614 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)[C@@H]3CCOC[C@H]3C)cc2)CC1 ZINC000881871237 733124481 /nfs/dbraw/zinc/12/44/81/733124481.db2.gz LKHWSKXZZDBKME-VQIMIIECSA-N 0 0 366.527 2.767 20 10 FFCDRN C[C@@H]1COCC[C@@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000881920875 733136664 /nfs/dbraw/zinc/13/66/64/733136664.db2.gz RSJFRSWXUAQOKM-KDOFPFPSSA-N 0 0 353.484 2.892 20 10 FFCDRN C[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1nnc2n1CCC2 ZINC000882886433 733307851 /nfs/dbraw/zinc/30/78/51/733307851.db2.gz UDYPUIRWQLBBFO-MRVPVSSYSA-N 0 0 355.211 2.682 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000882967551 733316208 /nfs/dbraw/zinc/31/62/08/733316208.db2.gz KPKKQYQKCPSHMF-NSHDSACASA-N 0 0 370.421 2.772 20 10 FFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccnc(OC2CCOCC2)c1 ZINC000882995661 733319551 /nfs/dbraw/zinc/31/95/51/733319551.db2.gz IEXDRHUPSUMYCE-UHFFFAOYSA-N 0 0 350.365 2.913 20 10 FFCDRN CS(=O)(=O)N1CCc2c1cccc2NCc1cc(F)cc(F)c1O ZINC000883088016 733330683 /nfs/dbraw/zinc/33/06/83/733330683.db2.gz QLQAEGXJZGLMCY-UHFFFAOYSA-N 0 0 354.378 2.605 20 10 FFCDRN CC(C)(C)OC(=O)C1(C[NH2+]Cc2cc(F)cc(F)c2[O-])CCOCC1 ZINC000883152084 733343093 /nfs/dbraw/zinc/34/30/93/733343093.db2.gz INSXEPVBTOYDIO-UHFFFAOYSA-N 0 0 357.397 2.899 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCOCC2(CC2)C1 ZINC000782705354 738749738 /nfs/dbraw/zinc/74/97/38/738749738.db2.gz BMMDWGUAKSEQCI-UHFFFAOYSA-N 0 0 361.511 2.562 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1c([O-])cccc1F ZINC000886510161 733799134 /nfs/dbraw/zinc/79/91/34/733799134.db2.gz WKBRVJIYBMDRPH-LBPRGKRZSA-N 0 0 352.431 2.632 20 10 FFCDRN C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1c([O-])cccc1F ZINC000886607097 733808552 /nfs/dbraw/zinc/80/85/52/733808552.db2.gz LDJLWIWESHHBET-AWEZNQCLSA-N 0 0 351.443 2.839 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C\c2ccc(Cl)cn2)SC1=S ZINC000887272760 733903102 /nfs/dbraw/zinc/90/31/02/733903102.db2.gz UZOWFLSSZNUGSS-YRNVUSSQSA-N 0 0 356.856 2.889 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1ccoc1C1(O)CCOCC1 ZINC000890759700 734336831 /nfs/dbraw/zinc/33/68/31/734336831.db2.gz OZWYWZLRPIWVHF-UHFFFAOYSA-N 0 0 351.786 2.567 20 10 FFCDRN O=C(COC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc(O)c(O)c1 ZINC000783410988 738804525 /nfs/dbraw/zinc/80/45/25/738804525.db2.gz QXTDEIMJSVNNCW-UHFFFAOYSA-N 0 0 360.124 2.978 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724588024 734386972 /nfs/dbraw/zinc/38/69/72/734386972.db2.gz XZAJRGIHEJSLNU-CDMKHQONSA-N 0 0 362.651 2.702 20 10 FFCDRN O=C(N[C@@H]1CCCN2CCSC[C@@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000928071305 738815926 /nfs/dbraw/zinc/81/59/26/738815926.db2.gz CLFBYJLKTOOUBV-NEPJUHHUSA-N 0 0 364.492 2.622 20 10 FFCDRN Cc1c(Br)cccc1NC(=O)C(=O)NCc1ccccc1O ZINC000727035719 734460532 /nfs/dbraw/zinc/46/05/32/734460532.db2.gz UFPKXYTWMKSUBX-UHFFFAOYSA-N 0 0 363.211 2.718 20 10 FFCDRN Cc1ccc(CN(Cc2nnnn2C)c2ccc3c(c2)OCCO3)s1 ZINC000727148324 734468345 /nfs/dbraw/zinc/46/83/45/734468345.db2.gz PHMJNEUKZWDPPX-UHFFFAOYSA-N 0 0 357.439 2.558 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2cccc(OC3CCCC3)c2)SC1=S ZINC000727175720 734470336 /nfs/dbraw/zinc/47/03/36/734470336.db2.gz GBBNSVXIQCAQDL-NTEUORMPSA-N 0 0 362.476 2.695 20 10 FFCDRN CCOc1ncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1Cl ZINC000783627401 738820640 /nfs/dbraw/zinc/82/06/40/738820640.db2.gz BVXBQJBKLOSFJF-UHFFFAOYSA-N 0 0 351.742 2.585 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)COCC(F)(F)F)c1 ZINC000728950850 734551372 /nfs/dbraw/zinc/55/13/72/734551372.db2.gz IXGXQEQAXVTQBD-VHSXEESVSA-N 0 0 350.337 2.728 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](NC(C)=O)c2cccs2)c1 ZINC000728978929 734552581 /nfs/dbraw/zinc/55/25/81/734552581.db2.gz ACSCIUJJTRONFM-IAQYHMDHSA-N 0 0 362.451 2.907 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCCNC(=O)c2ccsc2)c1 ZINC000728985076 734552930 /nfs/dbraw/zinc/55/29/30/734552930.db2.gz VVTBVDUERZIONA-GFCCVEGCSA-N 0 0 362.451 2.850 20 10 FFCDRN Cc1cc(CCNS(=O)(=O)C[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000731671098 734690310 /nfs/dbraw/zinc/69/03/10/734690310.db2.gz JOMIJMGLVQETNH-QGZVFWFLSA-N 0 0 362.495 2.593 20 10 FFCDRN O=C(COC(=O)c1cnc(-c2ccncc2)s1)c1ccc(O)c(O)c1 ZINC000783854264 738842494 /nfs/dbraw/zinc/84/24/94/738842494.db2.gz FMZFVELKVCNXNV-UHFFFAOYSA-N 0 0 356.359 2.656 20 10 FFCDRN O=C(Cc1ccccc1Cl)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732277458 734729607 /nfs/dbraw/zinc/72/96/07/734729607.db2.gz MYYJBTGTFQTQNO-UHFFFAOYSA-N 0 0 364.854 2.634 20 10 FFCDRN O=C(NC[C@H](c1ccc(Cl)cc1)N1CCOCC1)C1=CC(=O)CS1 ZINC000732278701 734729621 /nfs/dbraw/zinc/72/96/21/734729621.db2.gz SIHKNJGHCRDOGU-OAHLLOKOSA-N 0 0 366.870 2.910 20 10 FFCDRN CC1CCN(S(=O)(=O)c2cc(CO)ccc2N2CCC[C@@H](F)C2)CC1 ZINC000893677768 734735767 /nfs/dbraw/zinc/73/57/67/734735767.db2.gz XUUNHFWFABRATQ-MRXNPFEDSA-N 0 0 370.490 2.538 20 10 FFCDRN CCOc1ccc(NC(=O)COC(=O)C2=CC(=O)CS2)c([N+](=O)[O-])c1 ZINC000732352797 734736522 /nfs/dbraw/zinc/73/65/22/734736522.db2.gz HHMJUUMNQDSATK-UHFFFAOYSA-N 0 0 366.351 2.556 20 10 FFCDRN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)c1 ZINC000732353506 734736848 /nfs/dbraw/zinc/73/68/48/734736848.db2.gz RRMYQDRCNSAABT-SNVBAGLBSA-N 0 0 363.391 2.733 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCN(C)CC(F)(F)F ZINC000732704541 734758387 /nfs/dbraw/zinc/75/83/87/734758387.db2.gz XZZHTYICWHXOCH-UHFFFAOYSA-N 0 0 360.424 2.778 20 10 FFCDRN CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000893865139 734764021 /nfs/dbraw/zinc/76/40/21/734764021.db2.gz HYKBRJLCLBGKQZ-LLVKDONJSA-N 0 0 359.239 2.642 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)CS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 ZINC000733286722 734804158 /nfs/dbraw/zinc/80/41/58/734804158.db2.gz BWFXDLQOMBCWJK-LLVKDONJSA-N 0 0 368.886 2.910 20 10 FFCDRN COc1ccc(S(=O)(=O)NCCCSc2nccs2)cc1OC ZINC000733899612 734857303 /nfs/dbraw/zinc/85/73/03/734857303.db2.gz KOTWTMSLXVHGQW-UHFFFAOYSA-N 0 0 374.509 2.621 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(Cn2cncn2)CC1 ZINC000894492939 734868180 /nfs/dbraw/zinc/86/81/80/734868180.db2.gz GGISKOVJTPGIRQ-UHFFFAOYSA-N 0 0 369.238 2.798 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000734468240 734897936 /nfs/dbraw/zinc/89/79/36/734897936.db2.gz RSJGENLUYREORE-HNNXBMFYSA-N 0 0 357.420 2.952 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCCCS2(=O)=O)cc1 ZINC000784117547 738862259 /nfs/dbraw/zinc/86/22/59/738862259.db2.gz HXAWGNXKSUHHDB-GOSISDBHSA-N 0 0 360.479 2.791 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)cc1F ZINC000736660485 734992462 /nfs/dbraw/zinc/99/24/62/734992462.db2.gz GUWRXVBEGILIQF-ODZUORAKSA-N 0 0 369.506 2.723 20 10 FFCDRN CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Cl)cc(OC)c1O ZINC000895862085 735066307 /nfs/dbraw/zinc/06/63/07/735066307.db2.gz BXJTXIZKQIHIAY-KBPBESRZSA-N 0 0 357.834 2.645 20 10 FFCDRN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Br)ccc1O ZINC000895864528 735066557 /nfs/dbraw/zinc/06/65/57/735066557.db2.gz PBVINXWJVLCVRY-UONOGXRCSA-N 0 0 372.259 2.745 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCNC(=O)CC23CCC3)c1 ZINC000895926678 735074570 /nfs/dbraw/zinc/07/45/70/735074570.db2.gz BQOWDNJXDFANNH-UHFFFAOYSA-N 0 0 353.260 2.708 20 10 FFCDRN Cn1nnc2cc(/C=C3/SC(=S)N(c4cccnc4)C3=O)ccc21 ZINC000740665649 735081037 /nfs/dbraw/zinc/08/10/37/735081037.db2.gz ISJCQQWYSQNBPB-RIYZIHGNSA-N 0 0 353.432 2.769 20 10 FFCDRN Cc1nc([C@@H]2CC[N@H+](Cc3cc(Br)cc(F)c3[O-])C2)no1 ZINC000896229350 735122115 /nfs/dbraw/zinc/12/21/15/735122115.db2.gz BSYFPHLFBRXKAB-SECBINFHSA-N 0 0 356.195 2.975 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000896281221 735131695 /nfs/dbraw/zinc/13/16/95/735131695.db2.gz UIHUBZQJDMVXLF-ONGXEEELSA-N 0 0 350.293 2.509 20 10 FFCDRN CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@H](C)CS(=O)(=O)CC ZINC000896336218 735140863 /nfs/dbraw/zinc/14/08/63/735140863.db2.gz JGPIZXIVQGOPLX-SNVBAGLBSA-N 0 0 371.480 2.598 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000897198825 735205778 /nfs/dbraw/zinc/20/57/78/735205778.db2.gz BZIUVZWRKXLALJ-GXTWGEPZSA-N 0 0 369.259 2.912 20 10 FFCDRN CNS(=O)(=O)CCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000784412584 738888884 /nfs/dbraw/zinc/88/88/84/738888884.db2.gz IHMHFMDKXZCIJC-UHFFFAOYSA-N 0 0 361.427 2.773 20 10 FFCDRN COC[C@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742711584 735250273 /nfs/dbraw/zinc/25/02/73/735250273.db2.gz ILIAOJOLQJRULT-STQMWFEESA-N 0 0 357.401 2.591 20 10 FFCDRN Cc1ccccc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000747253282 735549857 /nfs/dbraw/zinc/54/98/57/735549857.db2.gz LOHSFPILPUWEJL-INIZCTEOSA-N 0 0 360.479 2.871 20 10 FFCDRN C[C@@H](CC(=O)NCc1c(O)cccc1F)n1cc(Br)cn1 ZINC000928706880 738897607 /nfs/dbraw/zinc/89/76/07/738897607.db2.gz YFHXREJGWJNDQI-VIFPVBQESA-N 0 0 356.195 2.758 20 10 FFCDRN CCOC(=O)N[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000748051371 735611909 /nfs/dbraw/zinc/61/19/09/735611909.db2.gz RXPNNYCMTUCDCQ-CQSZACIVSA-N 0 0 354.834 2.959 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccccc1O ZINC000748459464 735646876 /nfs/dbraw/zinc/64/68/76/735646876.db2.gz GXBFSQMSGYIOJL-UHFFFAOYSA-N 0 0 357.479 2.945 20 10 FFCDRN Cc1cscc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000749353426 735716106 /nfs/dbraw/zinc/71/61/06/735716106.db2.gz XWSPCIOBBYEDHY-HNNXBMFYSA-N 0 0 357.479 2.688 20 10 FFCDRN CCC[C@H](O)CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000750352004 735784982 /nfs/dbraw/zinc/78/49/82/735784982.db2.gz CQXXIWMUWNZRBQ-ZFWWWQNUSA-N 0 0 356.413 2.924 20 10 FFCDRN COC/C(C)=C\CSCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000901876132 735857521 /nfs/dbraw/zinc/85/75/21/735857521.db2.gz CHSUXYXGVOUPAF-PXNMLYILSA-N 0 0 364.511 2.670 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c1O ZINC000751307085 735863226 /nfs/dbraw/zinc/86/32/26/735863226.db2.gz YEUSYKNFRNGCEK-UHFFFAOYSA-N 0 0 363.435 2.593 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000751326400 735864257 /nfs/dbraw/zinc/86/42/57/735864257.db2.gz QKLBMLJJDMSLKS-GFCCVEGCSA-N 0 0 351.424 2.757 20 10 FFCDRN CCOC(=O)[C@@H](CC1CC1)NCc1cc(Br)cc(OC)c1O ZINC000753569355 736078620 /nfs/dbraw/zinc/07/86/20/736078620.db2.gz ICXQXJDJFODKSC-CYBMUJFWSA-N 0 0 372.259 2.985 20 10 FFCDRN Cc1ccc(/C=C/C(=O)N2CCOc3ncc(Br)cc32)cn1 ZINC000754812514 736202673 /nfs/dbraw/zinc/20/26/73/736202673.db2.gz YKAGYBVXHUCHIG-SNAWJCMRSA-N 0 0 360.211 2.986 20 10 FFCDRN C[C@H]([NH2+]CCCN1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756342738 736323878 /nfs/dbraw/zinc/32/38/78/736323878.db2.gz KXMJAGJDGUMWGV-NSHDSACASA-N 0 0 361.255 2.667 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(F)cc(F)c1[O-] ZINC000756386766 736326856 /nfs/dbraw/zinc/32/68/56/736326856.db2.gz ZMDPQUVMOZVSSF-SNVBAGLBSA-N 0 0 356.394 2.893 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756459895 736333293 /nfs/dbraw/zinc/33/32/93/736333293.db2.gz PZNPRZTXTLZTRX-QWRGUYRKSA-N 0 0 370.421 2.990 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756488134 736335711 /nfs/dbraw/zinc/33/57/11/736335711.db2.gz LBJQGOYJOWEIBG-UWVGGRQHSA-N 0 0 367.298 2.774 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000756488136 736335967 /nfs/dbraw/zinc/33/59/67/736335967.db2.gz LBJQGOYJOWEIBG-ZJUUUORDSA-N 0 0 367.298 2.774 20 10 FFCDRN CCn1cnnc1CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756734042 736356593 /nfs/dbraw/zinc/35/65/93/736356593.db2.gz SWYIXCJUGYOAIA-VIFPVBQESA-N 0 0 357.227 2.799 20 10 FFCDRN CCn1cnnc1CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756734586 736356856 /nfs/dbraw/zinc/35/68/56/736356856.db2.gz XXTDVRPVOWEEFI-SECBINFHSA-N 0 0 357.227 2.799 20 10 FFCDRN CCC(C)(C)NC(=S)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000905580634 736363293 /nfs/dbraw/zinc/36/32/93/736363293.db2.gz RZADHHVODSDCMV-UHFFFAOYSA-N 0 0 362.543 2.541 20 10 FFCDRN CC[C@@H]1c2ccsc2CCN1C(=O)COC(=O)c1cccc(O)c1O ZINC000758562500 736501949 /nfs/dbraw/zinc/50/19/49/736501949.db2.gz SDDLVIHOEYCNPI-CYBMUJFWSA-N 0 0 361.419 2.852 20 10 FFCDRN COc1cc(CCNC(=O)NCCCSc2nccs2)ccc1O ZINC000759581515 736578523 /nfs/dbraw/zinc/57/85/23/736578523.db2.gz SNLOEDCNKDXQSI-UHFFFAOYSA-N 0 0 367.496 2.881 20 10 FFCDRN Cc1nc(NC(=O)[C@@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)sc1C ZINC000759593353 736579404 /nfs/dbraw/zinc/57/94/04/736579404.db2.gz NRODDOQPWKPIFB-BREXMAIKSA-N 0 0 362.407 2.755 20 10 FFCDRN COC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)c1cccc(O)c1 ZINC000759871834 736601391 /nfs/dbraw/zinc/60/13/91/736601391.db2.gz XTEYDVNRKPXQHW-INIZCTEOSA-N 0 0 363.797 2.958 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-c2csnn2)cc1 ZINC000761631866 736749661 /nfs/dbraw/zinc/74/96/61/736749661.db2.gz INTIOTWBDZCCJV-UHFFFAOYSA-N 0 0 356.407 2.981 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCSC3)cc2F)C[C@@H](C)O1 ZINC000761987435 736779543 /nfs/dbraw/zinc/77/95/43/736779543.db2.gz RFROVMAMWSVWQL-NFAWXSAZSA-N 0 0 352.475 2.809 20 10 FFCDRN COCCC1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000762158763 736799015 /nfs/dbraw/zinc/79/90/15/736799015.db2.gz RQRIFBTYDVSUIK-UHFFFAOYSA-N 0 0 352.818 2.627 20 10 FFCDRN COCCn1cc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])cn1 ZINC000800288007 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CN(C)c1ccc2c(c1)OCCN2Cc1cccc(NS(C)(=O)=O)c1 ZINC000765655978 737141701 /nfs/dbraw/zinc/14/17/01/737141701.db2.gz FGPDABGAFFYKHL-UHFFFAOYSA-N 0 0 361.467 2.523 20 10 FFCDRN O=C(CCOCC(F)(F)F)NCc1cccc(Br)c1O ZINC000765727926 737149619 /nfs/dbraw/zinc/14/96/19/737149619.db2.gz RGJINQRUBWCNCO-UHFFFAOYSA-N 0 0 356.138 2.740 20 10 FFCDRN C[S@@](=O)c1ccc(C(=O)NCc2cccc(Br)c2O)cc1 ZINC000765754675 737154082 /nfs/dbraw/zinc/15/40/82/737154082.db2.gz VQEBEWOBHQXMQE-OAQYLSRUSA-N 0 0 368.252 2.822 20 10 FFCDRN O=S(=O)(Cc1ccccc1)NCc1cccc(Br)c1O ZINC000766207497 737207637 /nfs/dbraw/zinc/20/76/37/737207637.db2.gz OICIVOPSIAZGDO-UHFFFAOYSA-N 0 0 356.241 2.774 20 10 FFCDRN COc1ccc(N(CC(=O)N2CCOC[C@H]2C2CC2)C(C)C)cc1F ZINC000766252065 737212512 /nfs/dbraw/zinc/21/25/12/737212512.db2.gz PJCWWIMOQSBWQQ-KRWDZBQOSA-N 0 0 350.434 2.687 20 10 FFCDRN CN1CCO[C@H]([C@@H](NC(=O)C2=CC(=O)CS2)c2ccc(Cl)cc2)C1 ZINC000766250067 737212599 /nfs/dbraw/zinc/21/25/99/737212599.db2.gz RTAGZGXHPIRALO-HOCLYGCPSA-N 0 0 366.870 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CC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000921021606 737940262 /nfs/dbraw/zinc/94/02/62/737940262.db2.gz NRMBDQLFIRKCLQ-SFHVURJKSA-N 0 0 361.511 2.557 20 10 FFCDRN Cc1ccc(NC(=S)NCc2cccc(N3CCOCC3)n2)cc1F ZINC000774257554 737974416 /nfs/dbraw/zinc/97/44/16/737974416.db2.gz MFWOEFCZWXNCIR-UHFFFAOYSA-N 0 0 360.458 2.852 20 10 FFCDRN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000775286136 738078157 /nfs/dbraw/zinc/07/81/57/738078157.db2.gz DUEUMZWBSBJXDV-UHFFFAOYSA-N 0 0 365.407 2.605 20 10 FFCDRN C[C@H](NC(=O)c1cnn(C)c1Br)c1ccc(N(C)C)cc1 ZINC000775410422 738091006 /nfs/dbraw/zinc/09/10/06/738091006.db2.gz LELPNBLYCQEMCB-JTQLQIEISA-N 0 0 351.248 2.740 20 10 FFCDRN COC(=O)[C@H]1C[C@H](C)CCN1Cc1cc(Br)cc(OC)c1O ZINC000776002483 738151152 /nfs/dbraw/zinc/15/11/52/738151152.db2.gz UARPFDZGRVMGLT-ZWNOBZJWSA-N 0 0 372.259 2.937 20 10 FFCDRN CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000776014560 738152144 /nfs/dbraw/zinc/15/21/44/738152144.db2.gz 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CC(C)CC1(NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000891083926 961897102 /nfs/dbraw/zinc/89/71/02/961897102.db2.gz ICXLSFDWLJVLKM-UHFFFAOYSA-N 0 0 372.513 2.766 20 10 FFCDRN CC[C@@H]1CC[C@H](C)N1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000891086787 961922523 /nfs/dbraw/zinc/92/25/23/961922523.db2.gz DUUZNWAAVMJZAI-MAUKXSAKSA-N 0 0 372.513 2.861 20 10 FFCDRN CCOCCN1CC2(CCC1=O)CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001276032415 1013297957 /nfs/dbraw/zinc/29/79/57/1013297957.db2.gz VVOKBZTVLMIFTQ-UHFFFAOYSA-N 0 0 364.461 2.772 20 10 FFCDRN CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1F ZINC001276031327 1013297895 /nfs/dbraw/zinc/29/78/95/1013297895.db2.gz ITUSONWWBAJQAK-IBGZPJMESA-N 0 0 350.434 2.525 20 10 FFCDRN Cc1ncsc1CN1CC2(C1)CN(Cc1cc(F)c(F)cc1O)C2 ZINC001279107351 962329287 /nfs/dbraw/zinc/32/92/87/962329287.db2.gz OGDIGSRNQBDEPQ-UHFFFAOYSA-N 0 0 351.422 2.753 20 10 FFCDRN CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891257494 962619826 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O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCC(=O)C1 ZINC000843768021 967158454 /nfs/dbraw/zinc/15/84/54/967158454.db2.gz ASZQUKQLZNSSFY-LBPRGKRZSA-N 0 0 370.371 2.527 20 10 FFCDRN CCc1nccn1[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000843769938 967186892 /nfs/dbraw/zinc/18/68/92/967186892.db2.gz PVSOWLUICQXTSY-OAHLLOKOSA-N 0 0 374.460 2.689 20 10 FFCDRN C[C@H](NC(=O)NC[C@@H]1CC[C@H](C2CC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000892333052 967423741 /nfs/dbraw/zinc/42/37/41/967423741.db2.gz DNUGFVRSOMXIRK-RYGJVYDSSA-N 0 0 373.497 2.841 20 10 FFCDRN CC[C@]1(C(=O)NCc2cccc(O)c2O)CCCN1C(=O)OC(C)(C)C ZINC001176566466 1013733596 /nfs/dbraw/zinc/73/35/96/1013733596.db2.gz XRLVAJLIPQPUST-LJQANCHMSA-N 0 0 364.442 2.894 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)CCN2 ZINC000237223524 967620109 /nfs/dbraw/zinc/62/01/09/967620109.db2.gz VLWASKJQZYRXOH-UHFFFAOYSA-N 0 0 351.450 2.763 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(C)(C)n1cc([N+](=O)[O-])cn1 ZINC000161804231 967634014 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CCCOc1ccc(NC(=O)C(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC000874099707 1013759014 /nfs/dbraw/zinc/75/90/14/1013759014.db2.gz BPEIHHHDPGTTKM-UHFFFAOYSA-N 0 0 370.405 2.671 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000052891566 967969665 /nfs/dbraw/zinc/96/96/65/967969665.db2.gz ITOZXEACUNGZDM-UHFFFAOYSA-N 0 0 373.884 2.901 20 10 FFCDRN C[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255597233 968096687 /nfs/dbraw/zinc/09/66/87/968096687.db2.gz PJIACJLMIHMGCM-CQSZACIVSA-N 0 0 351.410 2.861 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)c1 ZINC000729534938 968154111 /nfs/dbraw/zinc/15/41/11/968154111.db2.gz GHMLEHKVZVMCHR-MNOVXSKESA-N 0 0 356.378 2.611 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@H](C)Cc3cc(C)n[nH]3)CC2)cc1 ZINC000124864230 1013778537 /nfs/dbraw/zinc/77/85/37/1013778537.db2.gz YGDPKDWPGQDHOT-CQSZACIVSA-N 0 0 371.485 2.626 20 10 FFCDRN Cc1cc(C2(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)CC2)on1 ZINC000874197128 1013784974 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CC(C)C[C@@H](CC(=O)[O-])C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000899855228 977366938 /nfs/dbraw/zinc/36/69/38/977366938.db2.gz UXDCINHCTXVXBF-FUHWJXTLSA-N 0 0 363.502 2.609 20 10 FFCDRN C[C@@H](OC(=O)C1CC1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000006058336 977414194 /nfs/dbraw/zinc/41/41/94/977414194.db2.gz KPKBNNUKDVESSI-LLVKDONJSA-N 0 0 363.369 2.742 20 10 FFCDRN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nnc2n1CCCCC2 ZINC000876921580 1014422547 /nfs/dbraw/zinc/42/25/47/1014422547.db2.gz IIKJNEDWFBFCHR-MRXNPFEDSA-N 0 0 369.513 2.816 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2ccc3c(c2)OCO3)c1 ZINC000728943008 977782602 /nfs/dbraw/zinc/78/26/02/977782602.db2.gz CADGUFNGTABULH-GFCCVEGCSA-N 0 0 358.394 2.732 20 10 FFCDRN CC[C@@H](CO)NC(=O)Cc1ccc(NCc2cc(C)cc(OC)c2O)cc1 ZINC000894114959 977821638 /nfs/dbraw/zinc/82/16/38/977821638.db2.gz CGTZBHPYVNKBMA-KRWDZBQOSA-N 0 0 372.465 2.751 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ncc(C)c(OC)c2C)c1 ZINC000728951702 978067075 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COc1ccc(N2CCN(Cc3c(C4CC4)cnn3C)CC2)c(OC)c1 ZINC000877708306 1014692039 /nfs/dbraw/zinc/69/20/39/1014692039.db2.gz IEIDGWKYSNPUQM-UHFFFAOYSA-N 0 0 356.470 2.637 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)c3cnn(C4CC4)c3N)cc2)CC1 ZINC000906618664 981101388 /nfs/dbraw/zinc/10/13/88/981101388.db2.gz ZQGDCEDCXINYGY-UHFFFAOYSA-N 0 0 353.470 2.967 20 10 FFCDRN CNC(=O)Nc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000906857783 981160614 /nfs/dbraw/zinc/16/06/14/981160614.db2.gz ZJNWJOWIDOBCIC-UHFFFAOYSA-N 0 0 354.410 2.543 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)c1 ZINC000907060119 981193190 /nfs/dbraw/zinc/19/31/90/981193190.db2.gz KORAHTGBQACCPF-LJQANCHMSA-N 0 0 368.433 2.698 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000907275035 981218280 /nfs/dbraw/zinc/21/82/80/981218280.db2.gz VLWJFFSYMIMOQB-ZBFHGGJFSA-N 0 0 363.454 2.511 20 10 FFCDRN O=C1COc2cccc(NCc3ccc(N4CCC(O)CC4)cc3)c2N1 ZINC000877777599 1014724794 /nfs/dbraw/zinc/72/47/94/1014724794.db2.gz 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C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1c1ccccc1 ZINC000839373066 1026659271 /nfs/dbraw/zinc/65/92/71/1026659271.db2.gz QBLIUFPJVUVNDZ-JXFKEZNVSA-N 0 0 365.477 2.931 20 10 FFCDRN C[C@@H]1CO[C@@H](c2ccccc2)CN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839478381 1026694078 /nfs/dbraw/zinc/69/40/78/1026694078.db2.gz DWDGDZMABQGFNW-DYESRHJHSA-N 0 0 367.493 2.831 20 10 FFCDRN C[C@@H](NC(=O)c1cc2cccnc2[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000839581303 1026745399 /nfs/dbraw/zinc/74/53/99/1026745399.db2.gz ZWVKMINWUSXQNS-CQSZACIVSA-N 0 0 350.422 2.891 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)Nc1ccc(F)cc1 ZINC000839634329 1026767267 /nfs/dbraw/zinc/76/72/67/1026767267.db2.gz OOYPUYXTDNPNJK-AWEZNQCLSA-N 0 0 357.429 2.886 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@H](O)[C@@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839666771 1026785505 /nfs/dbraw/zinc/78/55/05/1026785505.db2.gz NUCMGVXRPZKGER-NQIIRXRSSA-N 0 0 370.493 2.569 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CNC(=O)c1ccccc1 ZINC000839915449 1026863961 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20 10 FFCDRN C[C@H](Cc1c[nH]cn1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000847363316 1055603299 /nfs/dbraw/zinc/60/32/99/1055603299.db2.gz XQNWHOOJTLBNAL-KFWWJZLASA-N 0 0 374.460 2.657 20 10 FFCDRN CC(C)CN1N=C(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCC1=O ZINC001352614684 1055652600 /nfs/dbraw/zinc/65/26/00/1055652600.db2.gz IHEXTOQJTLJGRN-UHFFFAOYSA-N 0 0 370.497 2.880 20 10 FFCDRN CCOC(=O)c1cnccc1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001338682159 1055728536 /nfs/dbraw/zinc/72/85/36/1055728536.db2.gz WJDUXSJIJIQYPA-UHFFFAOYSA-N 0 0 369.465 2.501 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000847418852 1055745146 /nfs/dbraw/zinc/74/51/46/1055745146.db2.gz MCDVZMBJBDOCMJ-UHFFFAOYSA-N 0 0 373.505 2.614 20 10 FFCDRN CC[C@@H](C)[NH+]1CCN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC1 ZINC001338750877 1055782678 /nfs/dbraw/zinc/78/26/78/1055782678.db2.gz ZSMXQHMWWMFFNU-GFCCVEGCSA-N 0 0 372.498 2.718 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000847453839 1055809594 /nfs/dbraw/zinc/80/95/94/1055809594.db2.gz DHYUVERWTFFONL-SFHVURJKSA-N 0 0 374.485 2.657 20 10 FFCDRN CN(C[C@]12CCC[C@H]1OCC2)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001357193655 1055816310 /nfs/dbraw/zinc/81/63/10/1055816310.db2.gz IJGSDQRFFVHKFJ-TZIWHRDSSA-N 0 0 373.497 2.624 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1conc1CNC(=O)OC(C)(C)C ZINC000847570821 1056072400 /nfs/dbraw/zinc/07/24/00/1056072400.db2.gz SOVKGLIFXFATTA-UHFFFAOYSA-N 0 0 361.398 2.677 20 10 FFCDRN COCCO[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2CC(C)C)C1 ZINC001358106187 1056141873 /nfs/dbraw/zinc/14/18/73/1056141873.db2.gz UVLTWWOZGUDTOE-CYBMUJFWSA-N 0 0 366.487 2.610 20 10 FFCDRN COc1cnc(F)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000847604433 1056148501 /nfs/dbraw/zinc/14/85/01/1056148501.db2.gz LULVCAQKVBQFAG-CQSZACIVSA-N 0 0 360.385 2.756 20 10 FFCDRN C[C@H]1CN(CC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC001200253428 1056162181 /nfs/dbraw/zinc/16/21/81/1056162181.db2.gz BBZLJUDFUVSKCU-JTQLQIEISA-N 0 0 363.683 2.618 20 10 FFCDRN Cc1oncc1-c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCO1 ZINC001358257457 1056221726 /nfs/dbraw/zinc/22/17/26/1056221726.db2.gz KETADMBDDFEGPC-HNNXBMFYSA-N 0 0 369.425 2.763 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)N1CCc2ccccc21 ZINC000847695891 1056386376 /nfs/dbraw/zinc/38/63/76/1056386376.db2.gz IMTMGWIWFFQRFK-GJZGRUSLSA-N 0 0 354.450 2.986 20 10 FFCDRN O=C(C[C@@H]1CNc2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001353495314 1056457352 /nfs/dbraw/zinc/45/73/52/1056457352.db2.gz MDHBZVLQPXINDO-MRXNPFEDSA-N 0 0 369.440 2.878 20 10 FFCDRN O=C(CCC1CCCCC1)N1CCN(C(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001544942609 1071713768 /nfs/dbraw/zinc/71/37/68/1071713768.db2.gz UPYIMUJAVNUHQX-UHFFFAOYSA-N 0 0 374.481 2.672 20 10 FFCDRN Cc1ccc2c(c1)C(=O)N([C@@H](C)C(=O)NCc1cc(Cl)ccc1O)C2=O ZINC001300397714 1058170532 /nfs/dbraw/zinc/17/05/32/1058170532.db2.gz AGPQHSYIRKETLU-NSHDSACASA-N 0 0 372.808 2.655 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc(Cn2ccnn2)o1 ZINC001353920283 1058377074 /nfs/dbraw/zinc/37/70/74/1058377074.db2.gz RJAXYYCQNILOBS-UHFFFAOYSA-N 0 0 365.437 2.792 20 10 FFCDRN Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c(OC[C@@H]2CCCO2)c1 ZINC001445796672 1058443833 /nfs/dbraw/zinc/44/38/33/1058443833.db2.gz WNUUJHWJYYFQHR-KRWDZBQOSA-N 0 0 371.433 2.823 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3CC[C@@H]3[C@H]3CCCOC3)CC2)cc1 ZINC001518915318 1058553868 /nfs/dbraw/zinc/55/38/68/1058553868.db2.gz YLYABUAHDSCZME-OXJNMPFZSA-N 0 0 373.497 2.875 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc(Cl)n1 ZINC001354158144 1058664964 /nfs/dbraw/zinc/66/49/64/1058664964.db2.gz XHCUYKAIMRZEDG-UHFFFAOYSA-N 0 0 373.840 2.883 20 10 FFCDRN COc1ccc(CNC(=O)c2c(C(F)(F)F)nc3ccccn32)c(O)c1 ZINC001448372336 1058769852 /nfs/dbraw/zinc/76/98/52/1058769852.db2.gz KQOXSCKUHKVZSF-UHFFFAOYSA-N 0 0 365.311 2.997 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(Br)cc2N)c(O)c1 ZINC001448383904 1058772706 /nfs/dbraw/zinc/77/27/06/1058772706.db2.gz QZWBUQNKBTWWSI-UHFFFAOYSA-N 0 0 351.200 2.676 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(N2CCc3ccccc32)CC1 ZINC001448427836 1058773953 /nfs/dbraw/zinc/77/39/53/1058773953.db2.gz JEVRWGMBEFWAAU-UHFFFAOYSA-N 0 0 352.434 2.694 20 10 FFCDRN Fc1ccc(NC(=S)NCc2cccc(OC3COC3)n2)cc1F ZINC001200706229 1059163562 /nfs/dbraw/zinc/16/35/62/1059163562.db2.gz TVGUTSZPGOQZSA-UHFFFAOYSA-N 0 0 351.378 2.624 20 10 FFCDRN C[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC001452945480 1059318303 /nfs/dbraw/zinc/31/83/03/1059318303.db2.gz MJEQSLMXBDXGJT-LBPRGKRZSA-N 0 0 362.813 2.977 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cccc4oc(=O)[nH]c43)C2)cc1 ZINC000848229731 1059421664 /nfs/dbraw/zinc/42/16/64/1059421664.db2.gz OCOMQOYHYCWEAM-CYBMUJFWSA-N 0 0 367.405 2.798 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cccc4[nH]c(=O)[nH]c43)C2)cc1 ZINC000848230313 1059427749 /nfs/dbraw/zinc/42/77/49/1059427749.db2.gz VZWZAOIFCLHRBP-ZDUSSCGKSA-N 0 0 366.421 2.533 20 10 FFCDRN Cc1cc(C(=O)NCc2cccc(O)c2O)c(C)n1C[C@@H]1CCCOC1 ZINC001520510274 1059748398 /nfs/dbraw/zinc/74/83/98/1059748398.db2.gz YBDUIKXKMRAKDD-HNNXBMFYSA-N 0 0 358.438 2.873 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001455314435 1059757018 /nfs/dbraw/zinc/75/70/18/1059757018.db2.gz GBQAWUPCRWQTNG-UHFFFAOYSA-N 0 0 357.797 2.926 20 10 FFCDRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)NCc2cccc(O)c2O)o1 ZINC001455314712 1059757055 /nfs/dbraw/zinc/75/70/55/1059757055.db2.gz HYTNLKNJUQRLDX-NTMALXAHSA-N 0 0 359.378 2.976 20 10 FFCDRN C=CS(=O)(=O)CCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001355009150 1059762717 /nfs/dbraw/zinc/76/27/17/1059762717.db2.gz JNMFXNUPUFOCJN-UHFFFAOYSA-N 0 0 360.479 2.701 20 10 FFCDRN CC[C@@H]1[C@@H](C(=O)NCc2cc(O)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001455350532 1059765619 /nfs/dbraw/zinc/76/56/19/1059765619.db2.gz CALKWGLNQLHDNF-LSDHHAIUSA-N 0 0 364.442 2.750 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(Cc3nn[nH]n3)CC2)cc1 ZINC001455356041 1059768703 /nfs/dbraw/zinc/76/87/03/1059768703.db2.gz QRTKJPCLYVFKBH-UHFFFAOYSA-N 0 0 364.453 2.702 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2cccc(OC(C)(C)C)c2)c(O)c1 ZINC001516106763 1059964930 /nfs/dbraw/zinc/96/49/30/1059964930.db2.gz DTLZWIVNZRKOIK-UHFFFAOYSA-N 0 0 372.421 2.833 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NCc2c(O)cccc2O)C1 ZINC001456236016 1060062898 /nfs/dbraw/zinc/06/28/98/1060062898.db2.gz PTSJPHDCMZHOTI-LJQANCHMSA-N 0 0 364.442 2.751 20 10 FFCDRN Cc1cc(C(=O)NC(C)(C)CNC(N)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC001456806359 1060204169 /nfs/dbraw/zinc/20/41/69/1060204169.db2.gz WREZKKKVTQUNMG-UHFFFAOYSA-N 0 0 356.470 2.888 20 10 FFCDRN CCc1cnn(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1 ZINC000848519775 1060209841 /nfs/dbraw/zinc/20/98/41/1060209841.db2.gz UQJDTBUAMYJIQD-GJZGRUSLSA-N 0 0 374.460 2.515 20 10 FFCDRN O=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1cccc(Cl)c1O ZINC001457037130 1060260203 /nfs/dbraw/zinc/26/02/03/1060260203.db2.gz QBEFPEGFUFQNGH-UHFFFAOYSA-N 0 0 369.808 2.586 20 10 FFCDRN O=C1O[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000848579251 1060307773 /nfs/dbraw/zinc/30/77/73/1060307773.db2.gz XLIMVBLVOBWKKF-INIZCTEOSA-N 0 0 374.441 2.658 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCCC(=O)NC1CC1 ZINC001517145966 1060368184 /nfs/dbraw/zinc/36/81/84/1060368184.db2.gz CVPUJZKGFPTTLL-UHFFFAOYSA-N 0 0 369.469 2.556 20 10 FFCDRN Cc1nnc(N2CC[C@H](C)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001511831358 1060432986 /nfs/dbraw/zinc/43/29/86/1060432986.db2.gz KOWPZEXODQTTIS-INIZCTEOSA-N 0 0 369.513 2.690 20 10 FFCDRN CN(c1nnc(C2SC=CC2=O)n1C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC001517669285 1060585989 /nfs/dbraw/zinc/58/59/89/1060585989.db2.gz IDOONMRLNDUIIJ-VXGBXAGGSA-N 0 0 366.512 2.833 20 10 FFCDRN COC(=O)c1cc(OCc2cn(-c3ccccc3)nn2)ccc1N(C)C ZINC001459241008 1060730326 /nfs/dbraw/zinc/73/03/26/1060730326.db2.gz SJYWXFAABKEVPO-UHFFFAOYSA-N 0 0 352.394 2.699 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1CCC1CCOCC1 ZINC001548085987 1072014753 /nfs/dbraw/zinc/01/47/53/1072014753.db2.gz UDMRZVDMCTVRTC-UHFFFAOYSA-N 0 0 374.485 2.973 20 10 FFCDRN Cc1ccc(N)cc1S(=O)(=O)NCc1cccc(Br)c1O ZINC001475265498 1061026741 /nfs/dbraw/zinc/02/67/41/1061026741.db2.gz DJFKZOMHRRDHRB-UHFFFAOYSA-N 0 0 371.256 2.524 20 10 FFCDRN CC(=O)NCc1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cc1 ZINC001461294927 1061281763 /nfs/dbraw/zinc/28/17/63/1061281763.db2.gz KLCYSNSWSUGMNY-UHFFFAOYSA-N 0 0 370.472 2.826 20 10 FFCDRN COc1ccc(Cn2cc(CN(C)c3ccc4c(c3)OCO4)nn2)cc1 ZINC001462077334 1061497304 /nfs/dbraw/zinc/49/73/04/1061497304.db2.gz WIENVIZUCRKJHN-UHFFFAOYSA-N 0 0 352.394 2.700 20 10 FFCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC001462199207 1061533677 /nfs/dbraw/zinc/53/36/77/1061533677.db2.gz FZDDJPLZWOIQIL-KXBFYZLASA-N 0 0 362.420 2.643 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1nnc2n1CCCCC2)c1ccc(N(C)C)cc1 ZINC001527641072 1061562249 /nfs/dbraw/zinc/56/22/49/1061562249.db2.gz ZKIISGUWQTXJNT-OAHLLOKOSA-N 0 0 370.501 2.973 20 10 FFCDRN COC(=O)[C@H]1CN(Cc2cc(C)cc(OC)c2O)c2ccc(F)cc2O1 ZINC001462393851 1061604344 /nfs/dbraw/zinc/60/43/44/1061604344.db2.gz RRDAKXFIOOZCAH-QGZVFWFLSA-N 0 0 361.369 2.789 20 10 FFCDRN C[C@H](NC(=O)Nc1cccc(N2C(=O)CCC2=O)c1)c1ccccc1O ZINC001477210515 1061627191 /nfs/dbraw/zinc/62/71/91/1061627191.db2.gz RPLSPMJPUHXPHS-LBPRGKRZSA-N 0 0 353.378 2.928 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@H]1CC[C@@H](C2CC2)O1 ZINC001462780627 1061772095 /nfs/dbraw/zinc/77/20/95/1061772095.db2.gz ZYOHMIFORXCHPM-MOPGFXCFSA-N 0 0 366.527 2.862 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000767712292 1061791538 /nfs/dbraw/zinc/79/15/38/1061791538.db2.gz PPBNFLOXZQGUDP-NSHDSACASA-N 0 0 370.327 2.659 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)CCOC(C)(C)C ZINC001463902845 1062323749 /nfs/dbraw/zinc/32/37/49/1062323749.db2.gz DYCWKGBJMDAFCX-OAHLLOKOSA-N 0 0 356.532 2.727 20 10 FFCDRN Cc1cc(CNC(=O)c2ccn3nnnc3c2)c(C)n1-c1cccc(C)c1 ZINC001531611738 1062822504 /nfs/dbraw/zinc/82/25/04/1062822504.db2.gz GRUQWQDURNYHOS-UHFFFAOYSA-N 0 0 360.421 2.770 20 10 FFCDRN CCOC(=O)c1cccc(S(=O)(=O)NCc2cccc(Cl)c2O)c1 ZINC001464796028 1062828586 /nfs/dbraw/zinc/82/85/86/1062828586.db2.gz YHLUZVJDZREHHL-UHFFFAOYSA-N 0 0 369.826 2.701 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC001531705341 1062853151 /nfs/dbraw/zinc/85/31/51/1062853151.db2.gz DUMQSCKMBLPSJS-ZCNNSNEGSA-N 0 0 369.509 2.940 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(-n4cccc4)ccn3)C2)cc1 ZINC001437582647 1062885068 /nfs/dbraw/zinc/88/50/68/1062885068.db2.gz XQQYATLNYPEOFJ-INIZCTEOSA-N 0 0 362.433 2.890 20 10 FFCDRN CS(=O)(=O)c1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001465085339 1062970150 /nfs/dbraw/zinc/97/01/50/1062970150.db2.gz RBQXBAWOUGGHQJ-UHFFFAOYSA-N 0 0 354.815 2.771 20 10 FFCDRN CCN1CCOC[C@H]1C(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001438301389 1062982592 /nfs/dbraw/zinc/98/25/92/1062982592.db2.gz KDFCTGLZQLLPKL-FQEVSTJZSA-N 0 0 355.482 2.739 20 10 FFCDRN CO[C@H](C(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001524793378 1062987311 /nfs/dbraw/zinc/98/73/11/1062987311.db2.gz FDBYCRZYBMUURA-KRWDZBQOSA-N 0 0 362.470 2.600 20 10 FFCDRN O=C(Nc1c2nonc2ccc1Cl)c1cccc(Cn2cncn2)c1 ZINC001525080863 1063136242 /nfs/dbraw/zinc/13/62/42/1063136242.db2.gz KTJRFCYWPXGFGZ-UHFFFAOYSA-N 0 0 354.757 2.768 20 10 FFCDRN C[C@@H]1C[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O ZINC001493357799 1063140929 /nfs/dbraw/zinc/14/09/29/1063140929.db2.gz UBGJNHAMLFZOLX-HIFRSBDPSA-N 0 0 352.442 2.677 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Cn2cc(C=O)c(-c3ccccc3)n2)cc1 ZINC001440644726 1063324867 /nfs/dbraw/zinc/32/48/67/1063324867.db2.gz GFRBQMMVEFPRMX-UHFFFAOYSA-N 0 0 362.433 2.745 20 10 FFCDRN C[C@@H](C(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1)S(C)(=O)=O ZINC001466397854 1063422890 /nfs/dbraw/zinc/42/28/90/1063422890.db2.gz ASOJBFLDPCGPKO-GJZGRUSLSA-N 0 0 361.463 2.915 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@H]3Cc4cc(F)ccc4NC3=O)ccc21 ZINC001442386010 1063529754 /nfs/dbraw/zinc/52/97/54/1063529754.db2.gz FENMBVAWZPYFTF-QGZVFWFLSA-N 0 0 367.424 2.635 20 10 FFCDRN CNC(=O)c1ccsc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001467274144 1063695119 /nfs/dbraw/zinc/69/51/19/1063695119.db2.gz COOKWPKTMJZSDM-UHFFFAOYSA-N 0 0 360.439 2.605 20 10 FFCDRN COC(=O)c1cc(C)cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001467379351 1063729141 /nfs/dbraw/zinc/72/91/41/1063729141.db2.gz IOQZVIUIUJPRCY-LBPRGKRZSA-N 0 0 358.394 2.946 20 10 FFCDRN O=C(NCc1cccc(-n2cncn2)c1)NCc1cc(Cl)ccc1O ZINC001468946005 1064062279 /nfs/dbraw/zinc/06/22/79/1064062279.db2.gz BVALFKYSWARYBA-UHFFFAOYSA-N 0 0 357.801 2.626 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001469234013 1064113988 /nfs/dbraw/zinc/11/39/88/1064113988.db2.gz VJHXIEVXPMMHOC-WBVHZDCISA-N 0 0 374.529 2.691 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 ZINC001469234012 1064114177 /nfs/dbraw/zinc/11/41/77/1064114177.db2.gz VJHXIEVXPMMHOC-RDJZCZTQSA-N 0 0 374.529 2.691 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H]3C[C@@]3(C)C(C)C)CC2)c(OC)c1 ZINC001470444024 1064335309 /nfs/dbraw/zinc/33/53/09/1064335309.db2.gz NTZVGCZJANCNFM-ICSRJNTNSA-N 0 0 361.486 2.970 20 10 FFCDRN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)N[C@H](C)c1ccccc1O ZINC001471196225 1064596980 /nfs/dbraw/zinc/59/69/80/1064596980.db2.gz WHJRBSWAAZGMEC-SECBINFHSA-N 0 0 361.329 2.889 20 10 FFCDRN O=C(c1ccc(=O)n(-c2cccc(F)c2)c1)N1Cc2cccc(O)c2C1 ZINC001471355677 1064652433 /nfs/dbraw/zinc/65/24/33/1064652433.db2.gz QMRMVAPNZUUUEE-UHFFFAOYSA-N 0 0 350.349 2.838 20 10 FFCDRN Nc1cc(Br)c(F)cc1C(=O)NCc1cccc(O)c1O ZINC001471642479 1064743070 /nfs/dbraw/zinc/74/30/70/1064743070.db2.gz VXWFSVKPUDRYDD-UHFFFAOYSA-N 0 0 355.163 2.512 20 10 FFCDRN COc1ccc(SCCC(=O)NCc2cc(O)ccc2O)cc1OC ZINC001471661025 1064749860 /nfs/dbraw/zinc/74/98/60/1064749860.db2.gz DKFSCXGOEAURPS-UHFFFAOYSA-N 0 0 363.435 2.914 20 10 FFCDRN O=C(Cc1ccccc1OCc1ccncc1)NCc1c(O)cccc1O ZINC001472063595 1064913786 /nfs/dbraw/zinc/91/37/86/1064913786.db2.gz ODPMWBVEMRFQSE-UHFFFAOYSA-N 0 0 364.401 2.931 20 10 FFCDRN Cc1cc(C(=O)Nc2nc[nH]n2)c(C)n1-c1ccc(Br)cn1 ZINC001472486504 1065078751 /nfs/dbraw/zinc/07/87/51/1065078751.db2.gz ORFKLQNXNIUOMD-UHFFFAOYSA-N 0 0 361.203 2.622 20 10 FFCDRN Cc1cc(C(=O)CSc2nccnc2N)c(C)n1-c1ccc(F)cn1 ZINC001473017811 1065184073 /nfs/dbraw/zinc/18/40/73/1065184073.db2.gz SYDMCKUEMSLSRK-UHFFFAOYSA-N 0 0 357.414 2.975 20 10 FFCDRN C[C@](CO)(NC(=O)Cc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC001576035561 1078189339 /nfs/dbraw/zinc/18/93/39/1078189339.db2.gz AKVUAFIYUIZKDD-QGZVFWFLSA-N 0 0 352.356 2.854 20 10 FFCDRN Cc1ccc([C@@H](CN2CCOCC2)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001473917160 1065418592 /nfs/dbraw/zinc/41/85/92/1065418592.db2.gz QRYBULHZVDTACT-LJQANCHMSA-N 0 0 371.437 2.772 20 10 FFCDRN CCc1cnc(CNCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC001473950824 1065425391 /nfs/dbraw/zinc/42/53/91/1065425391.db2.gz VEWWSESQDHXUTE-HNNXBMFYSA-N 0 0 358.511 2.697 20 10 FFCDRN NC(=O)c1cccc(CC[NH2+]Cc2cc(Br)cc(F)c2[O-])c1 ZINC001473989767 1065434411 /nfs/dbraw/zinc/43/44/11/1065434411.db2.gz IFWZQHCQQMWOBI-UHFFFAOYSA-N 0 0 367.218 2.725 20 10 FFCDRN O=C(CCc1ccccc1)N1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001474070031 1065450075 /nfs/dbraw/zinc/45/00/75/1065450075.db2.gz WBCMJZRFFFLRJY-KRWDZBQOSA-N 0 0 369.421 2.624 20 10 FFCDRN NC(=O)c1nc2cc(NCc3ccc(N4CCOCC4)c(F)c3)ccc2o1 ZINC001474253611 1065478441 /nfs/dbraw/zinc/47/84/41/1065478441.db2.gz SYJRTAQTESQHLL-UHFFFAOYSA-N 0 0 370.384 2.515 20 10 FFCDRN COC(=O)c1ccc(OC)c2c1CCN(Cc1cc(OC)ccc1O)C2 ZINC001474691643 1065581370 /nfs/dbraw/zinc/58/13/70/1065581370.db2.gz PRGOSMXJZRODMS-UHFFFAOYSA-N 0 0 357.406 2.754 20 10 FFCDRN Cc1cc(O)c(CN2CCNN(C(=O)OC(C)(C)C)CC2)cc1Cl ZINC001579638284 1078652578 /nfs/dbraw/zinc/65/25/78/1078652578.db2.gz USKQGFSVFNXBGF-UHFFFAOYSA-N 0 0 355.866 2.911 20 10 FFCDRN Cc1ccc(-c2nn[nH]n2)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC001581133600 1078922278 /nfs/dbraw/zinc/92/22/78/1078922278.db2.gz FBMLOXDCJSCEJN-UHFFFAOYSA-N 0 0 363.421 2.690 20 10 FFCDRN O=[N+]([O-])c1sc(-c2nn[nH]n2)cc1NCc1cccc(Cl)c1O ZINC001582804468 1079109940 /nfs/dbraw/zinc/10/99/40/1079109940.db2.gz DNEPXGKMTMTYCZ-UHFFFAOYSA-N 0 0 352.763 2.808 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(O)cnc2c(F)cccc21 ZINC001556157719 1075710102 /nfs/dbraw/zinc/71/01/02/1075710102.db2.gz INLCMJSJGQNSAG-SNVBAGLBSA-N 0 0 356.353 2.852 20 10 FFCDRN COc1cnc(C(=O)NCc2cccc(Br)c2O)c(F)c1 ZINC001556481683 1075745588 /nfs/dbraw/zinc/74/55/88/1075745588.db2.gz YQGIPECFQMYNQW-UHFFFAOYSA-N 0 0 355.163 2.627 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 ZINC001556780376 1075775005 /nfs/dbraw/zinc/77/50/05/1075775005.db2.gz ZDXIPYXWFOTZKB-CYBMUJFWSA-N 0 0 369.356 2.523 20 10 FFCDRN Cn1cc(-c2cncc(C(=O)NCc3ccc4cccnc4c3O)c2)cn1 ZINC001557122258 1075810795 /nfs/dbraw/zinc/81/07/95/1075810795.db2.gz FVPBAOBIOBIHGR-UHFFFAOYSA-N 0 0 359.389 2.666 20 10 FFCDRN C[C@H](NC(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccccc1O ZINC001557968246 1075918812 /nfs/dbraw/zinc/91/88/12/1075918812.db2.gz VSXPMBOXNIWURQ-JTQLQIEISA-N 0 0 353.827 2.940 20 10 FFCDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001558161696 1075952654 /nfs/dbraw/zinc/95/26/54/1075952654.db2.gz QTJINJYFESUCGK-OCCSQVGLSA-N 0 0 364.442 2.750 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)c1cccc(Nc2nn[nH]n2)c1 ZINC001558554091 1076031725 /nfs/dbraw/zinc/03/17/25/1076031725.db2.gz JGPASUGWKSUGTR-UHFFFAOYSA-N 0 0 360.377 2.732 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC(=O)NCc2ccccc2)c1 ZINC001560264982 1076257805 /nfs/dbraw/zinc/25/78/05/1076257805.db2.gz YMXBBBFQTFUMEM-UHFFFAOYSA-N 0 0 363.255 2.869 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNCc3nc(CO)cs3)cc2F)C[C@@H](C)O1 ZINC001560274525 1076258489 /nfs/dbraw/zinc/25/84/89/1076258489.db2.gz JMYCERXRCSGHDD-CHWSQXEVSA-N 0 0 365.474 2.678 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 ZINC001561081960 1076329925 /nfs/dbraw/zinc/32/99/25/1076329925.db2.gz XQHOXMALTDUWHD-MSOLQXFVSA-N 0 0 365.543 2.941 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)C[C@@H]2CCCC3(CCC3)O2)cc1 ZINC001561086020 1076330313 /nfs/dbraw/zinc/33/03/13/1076330313.db2.gz RSGSYXPEPDFIEU-KRWDZBQOSA-N 0 0 352.500 2.664 20 10 FFCDRN CS(=O)(=O)Cc1cccc(NC(=O)NCc2cc(Cl)ccc2O)c1 ZINC001562291303 1076487476 /nfs/dbraw/zinc/48/74/76/1076487476.db2.gz RQLWBAOVUXIUTC-UHFFFAOYSA-N 0 0 368.842 2.912 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCCNC(=O)c2ccccc2Cl)c1 ZINC001563603316 1076569511 /nfs/dbraw/zinc/56/95/11/1076569511.db2.gz RQZZBYDKRVLVRW-UHFFFAOYSA-N 0 0 361.829 2.583 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@]2(C)CC(C)(C)OC2=O)cc1F ZINC001563998919 1076598163 /nfs/dbraw/zinc/59/81/63/1076598163.db2.gz RTNWXUNYECQPTD-IBGZPJMESA-N 0 0 365.449 2.955 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3(OC(C)C)CCC3)CC2)cc1F ZINC001566347832 1076949870 /nfs/dbraw/zinc/94/98/70/1076949870.db2.gz WYXGXHVPAXZVMY-UHFFFAOYSA-N 0 0 350.434 2.831 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC001568911716 1077117347 /nfs/dbraw/zinc/11/73/47/1077117347.db2.gz MQLJIOZRQZSDML-AWEZNQCLSA-N 0 0 358.320 2.769 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCCCc1nc(-c2ccccn2)cs1 ZINC001570828938 1077234555 /nfs/dbraw/zinc/23/45/55/1077234555.db2.gz DFOSJKSQSKRDBX-UHFFFAOYSA-N 0 0 369.446 2.908 20 10 FFCDRN Cc1cc(CCNC(=O)[C@@H]2CCCC(=O)N2C)c(C)n1-c1ccccc1 ZINC001586621968 1079658700 /nfs/dbraw/zinc/65/87/00/1079658700.db2.gz AZGHNSISCSRINS-IBGZPJMESA-N 0 0 353.466 2.764 20 10 FFCDRN C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1Cl)c1ccccc1O ZINC001587450954 1079794702 /nfs/dbraw/zinc/79/47/02/1079794702.db2.gz BQXQZLYOUWQWLS-JTQLQIEISA-N 0 0 368.842 2.908 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cnn(CC(F)(F)F)c2)cc1 ZINC001588123332 1079930195 /nfs/dbraw/zinc/93/01/95/1079930195.db2.gz FJRJHXAVTMEEPF-UHFFFAOYSA-N 0 0 354.292 2.538 20 10 FFCDRN C[C@@H](NC(=O)N[C@@H](C)c1cccc(-c2nn[nH]n2)c1)c1ccccc1O ZINC001589937376 1080880919 /nfs/dbraw/zinc/88/09/19/1080880919.db2.gz PUXPIMZUDOWFBN-NWDGAFQWSA-N 0 0 352.398 2.694 20 10 FFCDRN C[C@@H](NC(=O)c1cccc(F)c1-c1nn[nH]n1)c1ccc(N(C)C)cc1 ZINC001589946394 1080890967 /nfs/dbraw/zinc/89/09/67/1080890967.db2.gz JOWBHPLYFXVQQT-LLVKDONJSA-N 0 0 354.389 2.563 20 10 FFCDRN CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000047192305 205142786 /nfs/dbraw/zinc/14/27/86/205142786.db2.gz JVCYSVPLTLOOCR-UHFFFAOYSA-N 0 0 373.478 2.789 20 10 FFCDRN CC(=O)N1c2ccccc2C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000368885436 512120371 /nfs/dbraw/zinc/12/03/71/512120371.db2.gz KSEIFZZTAQVQFC-FQEVSTJZSA-N 0 0 351.450 2.689 20 10 FFCDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(N2CCOCC2)cc1 ZINC000109184591 132244832 /nfs/dbraw/zinc/24/48/32/132244832.db2.gz CTLXSQDGPCTVRV-AWEZNQCLSA-N 0 0 355.394 2.922 20 10 FFCDRN CC(C)Cn1cc(C(=O)NCc2cccc(Br)c2O)cn1 ZINC000277560185 510965867 /nfs/dbraw/zinc/96/58/67/510965867.db2.gz PIYAFZAYDLGDAJ-UHFFFAOYSA-N 0 0 352.232 2.937 20 10 FFCDRN Cc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)oc2c1C(=O)CCC2 ZINC000054284148 506529462 /nfs/dbraw/zinc/52/94/62/506529462.db2.gz OVFPHRATPDGIPN-UHFFFAOYSA-N 0 0 368.433 2.874 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@H]3OC(=O)c4ccccc43)CC2)cc1 ZINC000008028950 506615949 /nfs/dbraw/zinc/61/59/49/506615949.db2.gz WMEGVISBPKGVRP-LJQANCHMSA-N 0 0 366.417 2.646 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2cccc3c2OCO3)SC1=S ZINC000055181466 506694049 /nfs/dbraw/zinc/69/40/49/506694049.db2.gz DXXOAMNHYPQKEC-WQLSENKSSA-N 0 0 365.432 2.570 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1n[nH]c2ccccc21 ZINC000010907939 506758866 /nfs/dbraw/zinc/75/88/66/506758866.db2.gz YXFGFPKKRFQORU-UHFFFAOYSA-N 0 0 350.422 2.672 20 10 FFCDRN COc1cccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000055522965 506769141 /nfs/dbraw/zinc/76/91/41/506769141.db2.gz RIPKCWZZQRDJHN-UHFFFAOYSA-N 0 0 358.413 2.530 20 10 FFCDRN O=C(CNC(=O)OCc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000067163336 506779320 /nfs/dbraw/zinc/77/93/20/506779320.db2.gz BHIJWDWSDPDHCZ-UHFFFAOYSA-N 0 0 367.449 2.829 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2C(=O)CSc3ccccc32)cc1 ZINC000018215297 507144897 /nfs/dbraw/zinc/14/48/97/507144897.db2.gz GMBHZFYSJPMPDN-UHFFFAOYSA-N 0 0 355.463 2.508 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)c1O ZINC000068488473 507248677 /nfs/dbraw/zinc/24/86/77/507248677.db2.gz IGRKKRSNKFYIDJ-HNNXBMFYSA-N 0 0 362.451 2.533 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 ZINC000021391621 507254182 /nfs/dbraw/zinc/25/41/82/507254182.db2.gz BQVLWHUBFCGHDD-KRWDZBQOSA-N 0 0 355.413 2.976 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccnc3)cc2F)C[C@H](C)O1 ZINC000057422853 507261147 /nfs/dbraw/zinc/26/11/47/507261147.db2.gz MFFOGVPPHVKXNJ-GASCZTMLSA-N 0 0 372.444 2.834 20 10 FFCDRN NC(=O)[C@H]1CCN(C(=O)/C=C/c2cnc3ccccc3n2)c2ccccc21 ZINC000089465331 507840634 /nfs/dbraw/zinc/84/06/34/507840634.db2.gz MIWWPZMGQNXAHP-SCOAYWHSSA-N 0 0 358.401 2.649 20 10 FFCDRN Cc1nc([N+](=O)[O-])cn1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108294562 507884428 /nfs/dbraw/zinc/88/44/28/507884428.db2.gz IFFPRGUINYPISP-UHFFFAOYSA-N 0 0 371.441 2.652 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)CSc3cccc[n+]3[O-])cc2)CC1 ZINC000108294647 507884441 /nfs/dbraw/zinc/88/44/41/507884441.db2.gz AETSEJYQDAVVLX-UHFFFAOYSA-N 0 0 371.506 2.965 20 10 FFCDRN Cc1nn(C)c(C)c1C(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108294432 507884694 /nfs/dbraw/zinc/88/46/94/507884694.db2.gz FUORMKHPSNBXAI-UHFFFAOYSA-N 0 0 368.481 2.772 20 10 FFCDRN COC(=O)CSCCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108295941 507885063 /nfs/dbraw/zinc/88/50/63/507885063.db2.gz ZWCPQJCLQPVDBR-UHFFFAOYSA-N 0 0 364.511 2.835 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Cn2c(C)c(C)sc2=O)cc1F ZINC000108996806 507930845 /nfs/dbraw/zinc/93/08/45/507930845.db2.gz JOCZQJQOASICSV-UHFFFAOYSA-N 0 0 365.474 2.828 20 10 FFCDRN CC[C@@H](CSC)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000091214132 507969178 /nfs/dbraw/zinc/96/91/78/507969178.db2.gz SFISFUWGEQQBNJ-INIZCTEOSA-N 0 0 351.516 2.806 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CCCOC1 ZINC000074132117 507990036 /nfs/dbraw/zinc/99/00/36/507990036.db2.gz QUPUHPZRZGBMKB-ZDUSSCGKSA-N 0 0 357.248 2.865 20 10 FFCDRN O=C(NCCc1cccs1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000079876372 508009406 /nfs/dbraw/zinc/00/94/06/508009406.db2.gz KAIFGDBRLDESHK-UHFFFAOYSA-N 0 0 373.522 2.999 20 10 FFCDRN O=C(CCS(=O)(=O)C1CCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000075159755 508086891 /nfs/dbraw/zinc/08/68/91/508086891.db2.gz MCAYWRGWDWDRPU-UHFFFAOYSA-N 0 0 365.495 2.635 20 10 FFCDRN O=C(CC[C@@H]1CCCCO1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000111571645 508108651 /nfs/dbraw/zinc/10/86/51/508108651.db2.gz JBCDZSYVZPNIFR-FQEVSTJZSA-N 0 0 360.498 2.861 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N(Cc2cccs2)C2CC2)c1 ZINC000093926891 508161333 /nfs/dbraw/zinc/16/13/33/508161333.db2.gz FOWNJAVRPAFLNX-UHFFFAOYSA-N 0 0 366.464 2.630 20 10 FFCDRN COc1ccc(N2CCN(Cc3nc(-c4ccco4)no3)CC2)cc1F ZINC000084866682 508295132 /nfs/dbraw/zinc/29/51/32/508295132.db2.gz WQYKEHVCBABFRH-UHFFFAOYSA-N 0 0 358.373 2.800 20 10 FFCDRN CSCC[C@H](C)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000077573095 508336450 /nfs/dbraw/zinc/33/64/50/508336450.db2.gz GNXTXNBIEBCBAX-HNNXBMFYSA-N 0 0 351.516 2.806 20 10 FFCDRN O=C(NCCc1cn2c(n1)CCCC2)NCc1ccc(N2CCCC2)cc1 ZINC000077839998 508383485 /nfs/dbraw/zinc/38/34/85/508383485.db2.gz OUCULKQVNDQHDJ-UHFFFAOYSA-N 0 0 367.497 2.862 20 10 FFCDRN O=C(NCCc1ccc(Cl)nc1)NCc1ccc(N2CCOCC2)cc1 ZINC000156436822 508421311 /nfs/dbraw/zinc/42/13/11/508421311.db2.gz XEPQAHXRQBPJAD-UHFFFAOYSA-N 0 0 374.872 2.614 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCOC2(CCCC2)C1 ZINC000133821907 508454661 /nfs/dbraw/zinc/45/46/61/508454661.db2.gz PDDVEUYSOLBTPD-SFHVURJKSA-N 0 0 373.497 2.814 20 10 FFCDRN C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000156662367 508458278 /nfs/dbraw/zinc/45/82/78/508458278.db2.gz YNIOTWHBDFGPKJ-UHFFFAOYSA-N 0 0 354.406 2.878 20 10 FFCDRN Cc1noc2nc(C3CC3)cc(C(=O)NCCc3ccc(O)c(O)c3)c12 ZINC000156697921 508464231 /nfs/dbraw/zinc/46/42/31/508464231.db2.gz GJTQUVDXTYABDA-UHFFFAOYSA-N 0 0 353.378 2.792 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCC(N3CCCNC3=O)CC2)c1O ZINC000135447909 508606157 /nfs/dbraw/zinc/60/61/57/508606157.db2.gz DIUVSKDSXQQHGQ-UHFFFAOYSA-N 0 0 365.861 2.628 20 10 FFCDRN Cc1noc(C)c1C[C@@H](C)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000129392622 508721910 /nfs/dbraw/zinc/72/19/10/508721910.db2.gz GNGHEEVMLUXNEH-RZIFZGNASA-N 0 0 369.465 2.889 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000158639734 508732877 /nfs/dbraw/zinc/73/28/77/508732877.db2.gz WZZBRNXNEYCUKD-GFCCVEGCSA-N 0 0 366.387 2.916 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCCCO1 ZINC000119843978 508874741 /nfs/dbraw/zinc/87/47/41/508874741.db2.gz SDXJISMAGLIFME-INIZCTEOSA-N 0 0 372.387 2.727 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Nc3cnn(C[C@@H]4CCCO4)c3)ccc21 ZINC000125406340 508978232 /nfs/dbraw/zinc/97/82/32/508978232.db2.gz RENWFVKTBGIVJX-SFHVURJKSA-N 0 0 369.469 2.766 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2c2ccncc2)cc1 ZINC000125593779 509004492 /nfs/dbraw/zinc/00/44/92/509004492.db2.gz SFVWANSPPYPCCV-FQEVSTJZSA-N 0 0 352.482 2.943 20 10 FFCDRN CCCCS(=O)(=O)Nc1ccc(NC(=O)Cc2ccc(N)cc2)cc1 ZINC000160660274 509016218 /nfs/dbraw/zinc/01/62/18/509016218.db2.gz OZUUCTUHMCGFDP-UHFFFAOYSA-N 0 0 361.467 2.992 20 10 FFCDRN COCCC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000126256769 509075105 /nfs/dbraw/zinc/07/51/05/509075105.db2.gz SBSGJCMYYVKCCE-UHFFFAOYSA-N 0 0 360.498 2.718 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@H]([C@@H]3CCCO3)C2)c(C)n1-c1ccccn1 ZINC000151743334 509075823 /nfs/dbraw/zinc/07/58/23/509075823.db2.gz RSUBPCKJVRMMBU-ROUUACIJSA-N 0 0 355.438 2.509 20 10 FFCDRN Cc1nn(C)c(=O)c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000161331447 509102903 /nfs/dbraw/zinc/10/29/03/509102903.db2.gz SMUWJIQRBPLMDM-UHFFFAOYSA-N 0 0 368.481 2.660 20 10 FFCDRN Cc1nc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1C ZINC000121007873 509108322 /nfs/dbraw/zinc/10/83/22/509108322.db2.gz XEUGUHJKVBSFCR-UHFFFAOYSA-N 0 0 362.499 2.540 20 10 FFCDRN Cc1ccc([C@H](O)CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000133445736 509161139 /nfs/dbraw/zinc/16/11/39/509161139.db2.gz KQZIBSVCWMAFIQ-VWMRQFFHSA-N 0 0 366.461 2.695 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000264097401 509328683 /nfs/dbraw/zinc/32/86/83/509328683.db2.gz OUSZWWKBOVWSBE-GOSISDBHSA-N 0 0 354.406 2.921 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(CN3CCOC3=O)cc2)c1O ZINC000264235615 509400978 /nfs/dbraw/zinc/40/09/78/509400978.db2.gz LTTOKYSLDJJRKJ-UHFFFAOYSA-N 0 0 371.393 2.675 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1 ZINC000264304492 509445443 /nfs/dbraw/zinc/44/54/43/509445443.db2.gz ALOQSNYWCKLOIR-UHFFFAOYSA-N 0 0 367.449 2.938 20 10 FFCDRN Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)cnn1-c1ccccn1 ZINC000173201785 509452287 /nfs/dbraw/zinc/45/22/87/509452287.db2.gz KPHZPLRXCNWPRF-UHFFFAOYSA-N 0 0 363.421 2.681 20 10 FFCDRN CC(C)NS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185971195 509457619 /nfs/dbraw/zinc/45/76/19/509457619.db2.gz UTEXXHDQJPYGBA-VIFPVBQESA-N 0 0 355.287 2.677 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H](C)S(=O)(=O)CC1 ZINC000192321844 509461613 /nfs/dbraw/zinc/46/16/13/509461613.db2.gz QSXCOGSHKQKCDG-CQSZACIVSA-N 0 0 366.508 2.805 20 10 FFCDRN CC(C)c1nnc(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000176459548 509523852 /nfs/dbraw/zinc/52/38/52/509523852.db2.gz RQBRDMAVACANCD-UHFFFAOYSA-N 0 0 372.469 2.621 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000176486312 509539311 /nfs/dbraw/zinc/53/93/11/509539311.db2.gz MYMKHQYTYIJEJI-RBUKOAKNSA-N 0 0 361.486 2.622 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1cccc2c1OCO2 ZINC000186170369 509557700 /nfs/dbraw/zinc/55/77/00/509557700.db2.gz GKHYPQBGUVIZSD-UHFFFAOYSA-N 0 0 354.406 2.840 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)NC(=O)c2ccco2)cc1F ZINC000264493273 509561087 /nfs/dbraw/zinc/56/10/87/509561087.db2.gz CXBVFZSJKXRZNY-ZDUSSCGKSA-N 0 0 361.417 2.700 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2nc3c(s2)CCCC3)cc1 ZINC000192628010 509570203 /nfs/dbraw/zinc/57/02/03/509570203.db2.gz IKBSQAGRAAKNSL-UHFFFAOYSA-N 0 0 372.494 2.685 20 10 FFCDRN CN(C)c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000173394335 509571276 /nfs/dbraw/zinc/57/12/76/509571276.db2.gz YZSXKSXHDOYPLV-UHFFFAOYSA-N 0 0 367.449 2.592 20 10 FFCDRN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000237104640 509571823 /nfs/dbraw/zinc/57/18/23/509571823.db2.gz HDHJZLLUUWTCBE-MRXNPFEDSA-N 0 0 359.857 2.868 20 10 FFCDRN Nc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000192781160 509642254 /nfs/dbraw/zinc/64/22/54/509642254.db2.gz PUQVZLUCNLVMKA-UHFFFAOYSA-N 0 0 360.389 2.889 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000267950361 509682972 /nfs/dbraw/zinc/68/29/72/509682972.db2.gz WBMFOYDWGPVWSO-UHFFFAOYSA-N 0 0 355.394 2.811 20 10 FFCDRN Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000264795767 509710859 /nfs/dbraw/zinc/71/08/59/509710859.db2.gz YFEWODUKQVHUKW-HNNXBMFYSA-N 0 0 371.393 2.704 20 10 FFCDRN C[C@]1(C(=O)NCCc2ccc(N)cc2)CCCN1C(=O)c1ccccc1 ZINC000237761372 509728478 /nfs/dbraw/zinc/72/84/78/509728478.db2.gz KBJDMLTZWCMDTE-OAQYLSRUSA-N 0 0 351.450 2.622 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2N(C)C)cc1 ZINC000176934812 509775411 /nfs/dbraw/zinc/77/54/11/509775411.db2.gz RCIKDAUUGIXXMY-UHFFFAOYSA-N 0 0 374.872 2.727 20 10 FFCDRN CCS[C@H]1CCCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000264927725 509779663 /nfs/dbraw/zinc/77/96/63/509779663.db2.gz NZECHMAXXPGHKN-ZDUSSCGKSA-N 0 0 372.512 2.512 20 10 FFCDRN CC(C)C[C@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N1CCCCC1=O ZINC000183480383 509815641 /nfs/dbraw/zinc/81/56/41/509815641.db2.gz KBXYGVHKTPDMGL-GOEBONIOSA-N 0 0 362.470 2.572 20 10 FFCDRN C[C@@H]1c2cccn2CCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000193376918 509888045 /nfs/dbraw/zinc/88/80/45/509888045.db2.gz UZNFGXXWTHKFPF-OAHLLOKOSA-N 0 0 372.444 2.750 20 10 FFCDRN CC[C@H]1C[C@H](C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCO1 ZINC000180408938 509909932 /nfs/dbraw/zinc/90/99/32/509909932.db2.gz XFJCSCOCFTZVNA-ZBFHGGJFSA-N 0 0 350.434 2.688 20 10 FFCDRN C[C@@H](CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000183920882 510038546 /nfs/dbraw/zinc/03/85/46/510038546.db2.gz NRAKAONOBKTSLJ-HNNXBMFYSA-N 0 0 360.527 2.903 20 10 FFCDRN Cc1cc(C(=O)N2CCNC[C@@H]2c2nccn2C)c(C)n1-c1ccccc1 ZINC000261725863 510041589 /nfs/dbraw/zinc/04/15/89/510041589.db2.gz MBQCAUCPLOWRBM-LJQANCHMSA-N 0 0 363.465 2.614 20 10 FFCDRN Cc1cc(Br)cc(CN2CCOC3(CCOCC3)C2)c1O ZINC000180698964 510060516 /nfs/dbraw/zinc/06/05/16/510060516.db2.gz KHHDXAZKYSBUIF-UHFFFAOYSA-N 0 0 356.260 2.845 20 10 FFCDRN Cc1cnccc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000190350119 510079098 /nfs/dbraw/zinc/07/90/98/510079098.db2.gz LLZZRTRHYYSHLU-UHFFFAOYSA-N 0 0 368.481 2.598 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C(C)=O)C[C@H]3C)ccc21 ZINC000268794743 510091571 /nfs/dbraw/zinc/09/15/71/510091571.db2.gz XWWOXRZKLJWKCL-CQSZACIVSA-N 0 0 371.481 2.597 20 10 FFCDRN CCCCOc1ccccc1NC(=O)C(=O)NCc1cccc(OC)c1O ZINC000265515346 510094823 /nfs/dbraw/zinc/09/48/23/510094823.db2.gz FTTDGUUOVSDITL-UHFFFAOYSA-N 0 0 372.421 2.835 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000245720440 510105138 /nfs/dbraw/zinc/10/51/38/510105138.db2.gz DGUSYHMOSKYJFK-UKRRQHHQSA-N 0 0 372.259 2.543 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCCCNC(=O)OC(C)(C)C)cc1 ZINC000180838797 510137442 /nfs/dbraw/zinc/13/74/42/510137442.db2.gz NPPROGRCMIVSFY-UHFFFAOYSA-N 0 0 364.490 2.857 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(c2c(F)cccc2F)C1 ZINC000180856243 510146253 /nfs/dbraw/zinc/14/62/53/510146253.db2.gz HXRXWUAICIMPPR-IYNGYCSASA-N 0 0 360.360 2.784 20 10 FFCDRN COc1cccc(CNC(=O)C2CCN(c3ccc(C)cn3)CC2)c1O ZINC000171486731 510189615 /nfs/dbraw/zinc/18/96/15/510189615.db2.gz XEOJJWFOIOTGCD-UHFFFAOYSA-N 0 0 355.438 2.637 20 10 FFCDRN Cc1ccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000194075867 510203201 /nfs/dbraw/zinc/20/32/01/510203201.db2.gz ZUNLJSYWFRPQFD-UHFFFAOYSA-N 0 0 361.417 2.905 20 10 FFCDRN Nc1ccc(CC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)cc1 ZINC000262295531 510234718 /nfs/dbraw/zinc/23/47/18/510234718.db2.gz ITKFZYDAEIAKQE-SFHVURJKSA-N 0 0 368.437 2.751 20 10 FFCDRN CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000181015220 510238942 /nfs/dbraw/zinc/23/89/42/510238942.db2.gz XOOOVSZJLSHDMD-UHFFFAOYSA-N 0 0 360.907 2.585 20 10 FFCDRN Cc1cc(C)n(CCCNC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000265886938 510283551 /nfs/dbraw/zinc/28/35/51/510283551.db2.gz DMHFJZFKVHKEBG-UHFFFAOYSA-N 0 0 353.470 2.766 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(N)cc3)cc2F)C[C@H](C)O1 ZINC000269240886 510305349 /nfs/dbraw/zinc/30/53/49/510305349.db2.gz JKXWELOHBQNKPX-GASCZTMLSA-N 0 0 371.456 2.880 20 10 FFCDRN COc1cccc(CNc2ccc(OC)c(-n3nnnc3C3CC3)c2)c1O ZINC000269294154 510327801 /nfs/dbraw/zinc/32/78/01/510327801.db2.gz BMDTYAYTHLPTCF-UHFFFAOYSA-N 0 0 367.409 2.875 20 10 FFCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nnc2ccccn21 ZINC000174836974 510336770 /nfs/dbraw/zinc/33/67/70/510336770.db2.gz QSGCARUJFUSOEK-CYBMUJFWSA-N 0 0 365.437 2.874 20 10 FFCDRN COc1cc(N(C)C[C@@H](O)COc2ccc(F)cc2)cc(OC)c1OC ZINC000265980407 510338593 /nfs/dbraw/zinc/33/85/93/510338593.db2.gz BJMAFVJZVYNKNW-OAHLLOKOSA-N 0 0 365.401 2.728 20 10 FFCDRN CCOC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000187584207 510342234 /nfs/dbraw/zinc/34/22/34/510342234.db2.gz JFGMCSFHWNEMMU-MRXNPFEDSA-N 0 0 350.459 2.898 20 10 FFCDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000266001991 510353107 /nfs/dbraw/zinc/35/31/07/510353107.db2.gz FMGRPWPXLYEQGM-UHFFFAOYSA-N 0 0 373.384 2.809 20 10 FFCDRN COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000187671302 510379357 /nfs/dbraw/zinc/37/93/57/510379357.db2.gz RWCLMBIATPYBMA-NSHDSACASA-N 0 0 350.365 2.646 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nc(C(F)(F)F)n1 ZINC000187717869 510400586 /nfs/dbraw/zinc/40/05/86/510400586.db2.gz AZDPOJFGFKUYFZ-QMMMGPOBSA-N 0 0 355.316 2.576 20 10 FFCDRN COCCN(C)c1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3C)cn1 ZINC000190907839 510408425 /nfs/dbraw/zinc/40/84/25/510408425.db2.gz LURAZARWJMIESX-UHFFFAOYSA-N 0 0 354.498 2.836 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(Cc3cc(C)on3)CC2)c1O ZINC000184675376 510454493 /nfs/dbraw/zinc/45/44/93/510454493.db2.gz KMPRNQRXDJSRRW-UHFFFAOYSA-N 0 0 351.834 2.668 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(c3nc(C)ns3)CC2)c1O ZINC000184698848 510469572 /nfs/dbraw/zinc/46/95/72/510469572.db2.gz WLACTBJNYOKVPB-UHFFFAOYSA-N 0 0 354.863 2.536 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H](C)COC ZINC000175098839 510481540 /nfs/dbraw/zinc/48/15/40/510481540.db2.gz UMRHTJWYOFMQOZ-NSHDSACASA-N 0 0 359.264 2.969 20 10 FFCDRN C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000184964661 510606791 /nfs/dbraw/zinc/60/67/91/510606791.db2.gz YOURBXNGXHSJNH-LBPRGKRZSA-N 0 0 352.431 2.632 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccncc1 ZINC000266544495 510648458 /nfs/dbraw/zinc/64/84/58/510648458.db2.gz MKEZAFMROPFMHC-LJQANCHMSA-N 0 0 354.454 2.869 20 10 FFCDRN C[C@@H]1CN(Cc2ccccc2NC(=O)c2cccc(O)c2O)C[C@H](C)O1 ZINC000188212128 510651322 /nfs/dbraw/zinc/65/13/22/510651322.db2.gz WIEYTHIKHOTYJC-OKILXGFUSA-N 0 0 356.422 2.959 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000185054301 510658351 /nfs/dbraw/zinc/65/83/51/510658351.db2.gz YVRJXCOLJMEITG-LJQANCHMSA-N 0 0 367.449 2.780 20 10 FFCDRN COc1cc(OC)c(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1OC ZINC000266698819 510736490 /nfs/dbraw/zinc/73/64/90/510736490.db2.gz XKCRILBLVZHRQY-UHFFFAOYSA-N 0 0 372.421 2.818 20 10 FFCDRN Cc1noc(CCCNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000266752701 510766611 /nfs/dbraw/zinc/76/66/11/510766611.db2.gz CHSUVHWLZITNHF-UHFFFAOYSA-N 0 0 359.474 2.997 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2cc(-c3cnn(C)c3C)no2)cc1 ZINC000185433078 510843893 /nfs/dbraw/zinc/84/38/93/510843893.db2.gz MGIAPVODXKPGOO-UHFFFAOYSA-N 0 0 370.409 2.572 20 10 FFCDRN Nc1ccc(CNC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000297274512 510882313 /nfs/dbraw/zinc/88/23/13/510882313.db2.gz SURRPLJEOARNOU-UHFFFAOYSA-N 0 0 370.497 2.543 20 10 FFCDRN CCn1ncc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n1 ZINC000293874371 510883043 /nfs/dbraw/zinc/88/30/43/510883043.db2.gz BAIZXJDRBIQGOV-UHFFFAOYSA-N 0 0 353.426 2.800 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)[C@H](C)C3(C)C)CC2)cc1 ZINC000275482521 510901634 /nfs/dbraw/zinc/90/16/34/510901634.db2.gz NFKWQLOFGXJQSZ-YJBOKZPZSA-N 0 0 358.482 2.985 20 10 FFCDRN Cc1cncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000275659437 510909309 /nfs/dbraw/zinc/90/93/09/510909309.db2.gz FVHRGYCYHNCQHY-UHFFFAOYSA-N 0 0 354.454 2.832 20 10 FFCDRN CN(C)C(=O)c1ccnc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000285453368 510912484 /nfs/dbraw/zinc/91/24/84/510912484.db2.gz KZIQBCJTUBWKBS-UHFFFAOYSA-N 0 0 368.437 2.690 20 10 FFCDRN CSc1ccc(C)c(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000276246332 510930751 /nfs/dbraw/zinc/93/07/51/510930751.db2.gz YUSUVHROIWJVSL-LBPRGKRZSA-N 0 0 374.462 2.814 20 10 FFCDRN COc1ccc(N(C)C(=O)c2cn(C)nc2-c2cnn(C)c2)cc1Cl ZINC000364565442 510942697 /nfs/dbraw/zinc/94/26/97/510942697.db2.gz VRBWNBLNZAHMHN-UHFFFAOYSA-N 0 0 359.817 2.759 20 10 FFCDRN COC[C@@H](c1ccco1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277324642 510960923 /nfs/dbraw/zinc/96/09/23/510960923.db2.gz MJLAHZLYCPHQRP-ZDUSSCGKSA-N 0 0 364.785 2.791 20 10 FFCDRN O=C([O-])[C@H](CSCCOc1ccccc1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000277516428 510964702 /nfs/dbraw/zinc/96/47/02/510964702.db2.gz YNXRLPQIWGHBIC-SFHVURJKSA-N 0 0 373.474 2.977 20 10 FFCDRN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000282416805 510967500 /nfs/dbraw/zinc/96/75/00/510967500.db2.gz LLOCHLRVRPSVGO-UHFFFAOYSA-N 0 0 373.478 2.789 20 10 FFCDRN COC1CCN(c2ccc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)cc2)CC1 ZINC000297498468 510968554 /nfs/dbraw/zinc/96/85/54/510968554.db2.gz MXSCHTGATFPESV-HZPDHXFCSA-N 0 0 368.543 2.555 20 10 FFCDRN CCC(C)(C)c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000277741562 510970788 /nfs/dbraw/zinc/97/07/88/510970788.db2.gz ABMDPDHALBCWAW-UHFFFAOYSA-N 0 0 372.469 2.657 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC[C@@H]1CCOC1 ZINC000294145553 510971168 /nfs/dbraw/zinc/97/11/68/510971168.db2.gz QPRWCGLFYSRYKA-KRWDZBQOSA-N 0 0 354.516 2.719 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC[C@H]1CCOC1 ZINC000294145561 510971816 /nfs/dbraw/zinc/97/18/16/510971816.db2.gz QPRWCGLFYSRYKA-QGZVFWFLSA-N 0 0 354.516 2.719 20 10 FFCDRN COc1ccc(N2CCN(Cc3nncn3-c3ccccc3)CC2)cc1F ZINC000277793945 510973678 /nfs/dbraw/zinc/97/36/78/510973678.db2.gz SSEOFIIJLKMQTM-UHFFFAOYSA-N 0 0 367.428 2.737 20 10 FFCDRN COc1ccccc1O[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278550281 510999095 /nfs/dbraw/zinc/99/90/95/510999095.db2.gz YXTZWCMFEQVJED-GFCCVEGCSA-N 0 0 362.382 2.875 20 10 FFCDRN Cn1ncc2c1nccc2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000278749760 511006529 /nfs/dbraw/zinc/00/65/29/511006529.db2.gz RWGFDYUMYJUPFE-UHFFFAOYSA-N 0 0 351.454 2.789 20 10 FFCDRN CO[C@H]1COCC[C@H]1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000297609894 511008226 /nfs/dbraw/zinc/00/82/26/511008226.db2.gz GPRNZUKABVTZLF-HOCLYGCPSA-N 0 0 366.421 2.776 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1nnc2n1CCCCC2 ZINC000361256034 511020091 /nfs/dbraw/zinc/02/00/91/511020091.db2.gz ZTCORYYBZRXYPO-CYBMUJFWSA-N 0 0 374.464 2.770 20 10 FFCDRN CCC(=O)c1ccc(NCc2ccc(N(C)C)cc2)c(S(N)(=O)=O)c1 ZINC000286156951 511020138 /nfs/dbraw/zinc/02/01/38/511020138.db2.gz OMMYCNKDRXKYSN-UHFFFAOYSA-N 0 0 361.467 2.605 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c(C)n1-c1cccc(C)c1 ZINC000279163819 511020412 /nfs/dbraw/zinc/02/04/12/511020412.db2.gz BRLSEUZRSWKWQY-OAQYLSRUSA-N 0 0 351.450 2.755 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@](O)(C(F)(F)F)CC2)cc1OC ZINC000286200793 511020709 /nfs/dbraw/zinc/02/07/09/511020709.db2.gz AZUQEYHXTGPYRI-AWEZNQCLSA-N 0 0 364.320 2.896 20 10 FFCDRN CCOC1CC2(C1)CCN(C(=O)/C=C/c1ccc(N3CCOCC3)cc1)C2 ZINC000286370504 511023597 /nfs/dbraw/zinc/02/35/97/511023597.db2.gz UEHSUXXBBJQJRO-VMPITWQZSA-N 0 0 370.493 2.954 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1 ZINC000282563966 511027424 /nfs/dbraw/zinc/02/74/24/511027424.db2.gz UNJKNSIAWHCJRQ-UHFFFAOYSA-N 0 0 368.393 2.584 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)cc1OC ZINC000286510793 511027671 /nfs/dbraw/zinc/02/76/71/511027671.db2.gz YXXARYTVZYEFAG-ZJUUUORDSA-N 0 0 364.320 2.609 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](O)C(C)(C)C2)cc1F ZINC000287867400 511059053 /nfs/dbraw/zinc/05/90/53/511059053.db2.gz WYLQYYJHJOLIMA-QGZVFWFLSA-N 0 0 351.466 2.974 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc4n(n3)CCC4)cc2F)C[C@@H](C)O1 ZINC000294447175 511066591 /nfs/dbraw/zinc/06/65/91/511066591.db2.gz LZCDOLOYBBHOLN-ZIAGYGMSSA-N 0 0 372.444 2.512 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CCS(C)(=O)=O)cc2Cl)C1 ZINC000282676655 511070567 /nfs/dbraw/zinc/07/05/67/511070567.db2.gz ODZKTOYNYHFJIL-CYBMUJFWSA-N 0 0 372.918 2.627 20 10 FFCDRN CN1CC[C@@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000271080817 511076806 /nfs/dbraw/zinc/07/68/06/511076806.db2.gz ZUFGKDHDDLHTTO-SJLPKXTDSA-N 0 0 361.392 2.915 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000288477459 511077368 /nfs/dbraw/zinc/07/73/68/511077368.db2.gz KZWPKKISNFIJLJ-PKOBYXMFSA-N 0 0 374.481 2.595 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](C2CCCC2)C(F)(F)F)cc1 ZINC000297870894 511093960 /nfs/dbraw/zinc/09/39/60/511093960.db2.gz MPOFLUWPPIXCDW-HNNXBMFYSA-N 0 0 371.403 2.606 20 10 FFCDRN Cc1cc(Br)cc(CN2CCO[C@]3(CCCOC3)C2)c1O ZINC000289513935 511102792 /nfs/dbraw/zinc/10/27/92/511102792.db2.gz OWEYJZLQFDGLSB-MRXNPFEDSA-N 0 0 356.260 2.845 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000297905988 511105621 /nfs/dbraw/zinc/10/56/21/511105621.db2.gz PJNLNYOKNWBUKD-UHFFFAOYSA-N 0 0 371.506 2.964 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1cccnc1 ZINC000297952845 511122194 /nfs/dbraw/zinc/12/21/94/511122194.db2.gz GCAMKOACMMSRHK-UHFFFAOYSA-N 0 0 355.438 2.575 20 10 FFCDRN CC(C)NC(=O)c1ccc(NCCc2ccc(O)c(O)c2)c([N+](=O)[O-])c1 ZINC000290522209 511144971 /nfs/dbraw/zinc/14/49/71/511144971.db2.gz CLMYICFRMDTIQE-UHFFFAOYSA-N 0 0 359.382 2.799 20 10 FFCDRN CCN(CC)c1ccc(CNc2nccc(C(N)=O)c2[N+](=O)[O-])cc1F ZINC000290639788 511147135 /nfs/dbraw/zinc/14/71/35/511147135.db2.gz NMUWAFFXGJZYKS-UHFFFAOYSA-N 0 0 361.377 2.686 20 10 FFCDRN COc1ccc(O)c([C@@H](C)Nc2cccc(CN3CCNC(=O)C3)c2)c1 ZINC000291272480 511164250 /nfs/dbraw/zinc/16/42/50/511164250.db2.gz UBWZVDMWCDIMDI-CQSZACIVSA-N 0 0 355.438 2.506 20 10 FFCDRN Cc1c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nnn1CC1CCCC1 ZINC000279658986 511164689 /nfs/dbraw/zinc/16/46/89/511164689.db2.gz FJLNVBXKBYPMON-GFCCVEGCSA-N 0 0 358.442 2.549 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN1CC(F)(F)F ZINC000291309126 511165322 /nfs/dbraw/zinc/16/53/22/511165322.db2.gz GSWJJHFMVKSQAQ-AWEZNQCLSA-N 0 0 357.376 2.505 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000291379473 511174934 /nfs/dbraw/zinc/17/49/34/511174934.db2.gz WTRAKZXBEUKYLG-KBPBESRZSA-N 0 0 366.508 2.803 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1(S(C)(=O)=O)CCC1 ZINC000282959225 511178298 /nfs/dbraw/zinc/17/82/98/511178298.db2.gz CKXYPRMUDDHOHE-UHFFFAOYSA-N 0 0 368.499 2.671 20 10 FFCDRN COc1ccc([C@@H](OC)[C@@H](C)NC(=O)NCc2cccc(OC)c2O)cc1 ZINC000271370817 511180440 /nfs/dbraw/zinc/18/04/40/511180440.db2.gz JHZDVZLQUBYYQX-YJYMSZOUSA-N 0 0 374.437 2.985 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccc(OC(C)C)cc2)c1O ZINC000271381958 511185036 /nfs/dbraw/zinc/18/50/36/511185036.db2.gz RFHQUYMYJVDWIO-UHFFFAOYSA-N 0 0 351.424 2.667 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cncc(Cl)c1 ZINC000294816842 511187908 /nfs/dbraw/zinc/18/79/08/511187908.db2.gz JZPKCOQSMQZHCU-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CC[C@](CO)(c3ccccc3)C2)cc1F ZINC000291413311 511188016 /nfs/dbraw/zinc/18/80/16/511188016.db2.gz VYIMAICLZKPIOL-NRFANRHFSA-N 0 0 371.456 2.737 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000298167353 511196050 /nfs/dbraw/zinc/19/60/50/511196050.db2.gz XAPOYIWFXQQCKA-LJQANCHMSA-N 0 0 367.449 2.891 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000279759394 511204424 /nfs/dbraw/zinc/20/44/24/511204424.db2.gz PEZCKNZRHZGILK-CXAGYDPISA-N 0 0 357.406 2.627 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cnc(C4OCCO4)s3)ccc21 ZINC000283042621 511212385 /nfs/dbraw/zinc/21/23/85/511212385.db2.gz NMNYUHLTRHIVMM-UHFFFAOYSA-N 0 0 359.451 2.501 20 10 FFCDRN CCOc1cccc(CNc2cccc(C3CC(=O)NC(=O)C3)c2)c1O ZINC000294912461 511219177 /nfs/dbraw/zinc/21/91/77/511219177.db2.gz AHRMTDOIBQWDDT-UHFFFAOYSA-N 0 0 354.406 2.923 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H]1COC2(CCCC2)O1 ZINC000271517695 511230373 /nfs/dbraw/zinc/23/03/73/511230373.db2.gz GLJVENNLJHHALW-GOSISDBHSA-N 0 0 357.454 2.548 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000294950454 511232526 /nfs/dbraw/zinc/23/25/26/511232526.db2.gz SAQZHMRCGOHRKV-QJCDSOFHSA-N 0 0 368.477 2.706 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccnn1CC(F)(F)F ZINC000294992170 511246501 /nfs/dbraw/zinc/24/65/01/511246501.db2.gz OQKLGXKMKBTVSA-UHFFFAOYSA-N 0 0 353.344 2.960 20 10 FFCDRN Cc1cc(C)n2nc(C(=O)N(Cc3ccc(N(C)C)cc3)C3CC3)nc2n1 ZINC000298359787 511257975 /nfs/dbraw/zinc/25/79/75/511257975.db2.gz JCLKIKBOLXXWRB-UHFFFAOYSA-N 0 0 364.453 2.612 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)CSc2cccc[n+]2[O-])C2CC2)cc1 ZINC000298368920 511260291 /nfs/dbraw/zinc/26/02/91/511260291.db2.gz JLCNFQUSCCQKNY-UHFFFAOYSA-N 0 0 357.479 2.669 20 10 FFCDRN CCOCc1cc(CN[C@H](c2nccn2C)C(C)(C)CO)ccc1OC ZINC000295044560 511263015 /nfs/dbraw/zinc/26/30/15/511263015.db2.gz MWNGNUKWVUSCGR-GOSISDBHSA-N 0 0 361.486 2.815 20 10 FFCDRN CC(=O)Nc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000280001408 511299260 /nfs/dbraw/zinc/29/92/60/511299260.db2.gz LEQFNMCBGKUUMG-UHFFFAOYSA-N 0 0 368.437 2.624 20 10 FFCDRN CC(C)(C)C[C@@H](O)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000291719334 511309087 /nfs/dbraw/zinc/30/90/87/511309087.db2.gz BAPFISIZDQAKQI-IBGZPJMESA-N 0 0 362.514 2.699 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000295257447 511340337 /nfs/dbraw/zinc/34/03/37/511340337.db2.gz NFRASBHVFUVCEJ-LLVKDONJSA-N 0 0 368.405 2.614 20 10 FFCDRN CC[C@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000295262922 511341218 /nfs/dbraw/zinc/34/12/18/511341218.db2.gz YIEFTEKHTQUNAT-ICSRJNTNSA-N 0 0 357.498 2.798 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)c(C)n1-c1ccccc1 ZINC000298619616 511351226 /nfs/dbraw/zinc/35/12/26/511351226.db2.gz WMIWRTNRHVEEBQ-QGZVFWFLSA-N 0 0 374.506 2.991 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1C[C@H]1CCOC1 ZINC000291859854 511367739 /nfs/dbraw/zinc/36/77/39/511367739.db2.gz OTFLYXPFOBFSFU-CQSZACIVSA-N 0 0 353.426 2.652 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ncccc1N(C)C ZINC000291863279 511369380 /nfs/dbraw/zinc/36/93/80/511369380.db2.gz HNAVNZULVKMIEJ-UHFFFAOYSA-N 0 0 355.486 2.945 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)nn(C)c1C ZINC000283460407 511374431 /nfs/dbraw/zinc/37/44/31/511374431.db2.gz AIEYOWVYYQOTDA-UHFFFAOYSA-N 0 0 358.442 2.510 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000298697403 511378025 /nfs/dbraw/zinc/37/80/25/511378025.db2.gz HXMXWWVFGXGLHF-QGZVFWFLSA-N 0 0 374.506 2.991 20 10 FFCDRN C[C@H]1CN(c2ccc(CNc3ccc(C(N)=O)cn3)cc2F)C[C@H](C)O1 ZINC000298733606 511391947 /nfs/dbraw/zinc/39/19/47/511391947.db2.gz OHNPWGXBJDSNRP-STQMWFEESA-N 0 0 358.417 2.545 20 10 FFCDRN Cc1nc2c(cccc2C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[nH]1 ZINC000283507953 511394046 /nfs/dbraw/zinc/39/40/46/511394046.db2.gz PPCRHHOVCZZCKN-UHFFFAOYSA-N 0 0 368.412 2.777 20 10 FFCDRN CC(C)N1CC(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O ZINC000365357329 511402051 /nfs/dbraw/zinc/40/20/51/511402051.db2.gz MZYZZUCGSCNJCS-AWEZNQCLSA-N 0 0 367.396 2.929 20 10 FFCDRN Cc1cccnc1[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000283573164 511420762 /nfs/dbraw/zinc/42/07/62/511420762.db2.gz SAKUYROUPSEFLF-SFHVURJKSA-N 0 0 368.481 2.586 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCc1ccc(F)cc1 ZINC000298824169 511421552 /nfs/dbraw/zinc/42/15/52/511421552.db2.gz UTJGOCZOICPCDZ-UHFFFAOYSA-N 0 0 372.440 2.971 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000283658139 511450929 /nfs/dbraw/zinc/45/09/29/511450929.db2.gz OPXRYNGBOKSJST-UHFFFAOYSA-N 0 0 361.402 2.509 20 10 FFCDRN COc1cc(N2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)ccc1F ZINC000283729807 511478216 /nfs/dbraw/zinc/47/82/16/511478216.db2.gz XCCGQGRPPJSGIQ-UHFFFAOYSA-N 0 0 360.385 2.516 20 10 FFCDRN COc1ccc(C[C@@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1OC ZINC000272480715 511496143 /nfs/dbraw/zinc/49/61/43/511496143.db2.gz QNFFRJYBCGIGMI-YSKGHYERSA-N 0 0 357.406 2.876 20 10 FFCDRN CCc1noc2ncc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc12 ZINC000299066298 511503178 /nfs/dbraw/zinc/50/31/78/511503178.db2.gz AOFPVSVRICRPEJ-UHFFFAOYSA-N 0 0 366.421 2.552 20 10 FFCDRN Cc1ccccc1NC(=O)[C@@H]1CSCN1C(=O)c1ccc(C)c(O)c1O ZINC000272862214 511511101 /nfs/dbraw/zinc/51/11/01/511511101.db2.gz UXYXJFKZXJVARU-HNNXBMFYSA-N 0 0 372.446 2.868 20 10 FFCDRN Cc1ccncc1/C=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000273117283 511517544 /nfs/dbraw/zinc/51/75/44/511517544.db2.gz DGVFTGFXZGJVOL-HWKANZROSA-N 0 0 369.440 2.820 20 10 FFCDRN COc1cc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(OC)c1 ZINC000273161418 511519132 /nfs/dbraw/zinc/51/91/32/511519132.db2.gz KNCUWUOLWPESIO-ZDUSSCGKSA-N 0 0 359.422 2.795 20 10 FFCDRN CC(C)[C@@H]1C[C@H](CC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000273254651 511519992 /nfs/dbraw/zinc/51/99/92/511519992.db2.gz VHLWGUVOOJJRBU-QUCCMNQESA-N 0 0 360.498 2.981 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273343571 511522668 /nfs/dbraw/zinc/52/26/68/511522668.db2.gz AAFKFIJTKSPWNL-GOEBONIOSA-N 0 0 369.421 3.000 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273432644 511526062 /nfs/dbraw/zinc/52/60/62/511526062.db2.gz WDXNGVLBXDVOLR-CYBMUJFWSA-N 0 0 373.409 2.618 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)NCc3ccsc3)cc2)CC1 ZINC000283865720 511526476 /nfs/dbraw/zinc/52/64/76/511526476.db2.gz GIRHEDDJRTWICY-UHFFFAOYSA-N 0 0 371.506 2.917 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@H](CO)c2c(F)cccc2F)c1 ZINC000273536062 511531166 /nfs/dbraw/zinc/53/11/66/511531166.db2.gz XKJKFECOKREHBI-ZUZCIYMTSA-N 0 0 351.349 2.841 20 10 FFCDRN C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570667 511537938 /nfs/dbraw/zinc/53/79/38/511537938.db2.gz KQJSBWCDWBCGAU-CXAGYDPISA-N 0 0 357.410 2.651 20 10 FFCDRN CC(=O)[C@@H]1C[C@H](CC(=O)NCc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000273571643 511538513 /nfs/dbraw/zinc/53/85/13/511538513.db2.gz ZISKOUWRPASTAI-MJGOQNOKSA-N 0 0 358.482 2.781 20 10 FFCDRN COC1CCN(c2ccc(Cn3c(=O)onc3-c3cccnc3)cc2)CC1 ZINC000295941975 511563169 /nfs/dbraw/zinc/56/31/69/511563169.db2.gz IACRLCVQXRZLCX-UHFFFAOYSA-N 0 0 366.421 2.562 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccccc2F)C2CC2)cc1 ZINC000284021475 511578017 /nfs/dbraw/zinc/57/80/17/511578017.db2.gz MMVVQIRLDOBZPK-UHFFFAOYSA-N 0 0 369.440 2.699 20 10 FFCDRN Cc1nn(C)c2nc(C)c(C(=O)NCc3ccc(N(C)C)c(F)c3)cc12 ZINC000299321126 511591640 /nfs/dbraw/zinc/59/16/40/511591640.db2.gz ILHCRKMSNZXHMD-UHFFFAOYSA-N 0 0 355.417 2.720 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cn(C)nc3C(C)C)CC2)cc1 ZINC000280793884 511604579 /nfs/dbraw/zinc/60/45/79/511604579.db2.gz QJEDPOIRMDIOJW-UHFFFAOYSA-N 0 0 357.458 2.906 20 10 FFCDRN CCN(CC(=O)Nc1ccccc1SCC(N)=O)c1ccc(OC)cc1 ZINC000299357421 511605479 /nfs/dbraw/zinc/60/54/79/511605479.db2.gz ICLHFZJJDFEDPV-UHFFFAOYSA-N 0 0 373.478 2.738 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCc2cccs2)cc1 ZINC000284135991 511619763 /nfs/dbraw/zinc/61/97/63/511619763.db2.gz XDGGAVQLBVOAHJ-UHFFFAOYSA-N 0 0 359.495 2.569 20 10 FFCDRN CO[C@](C)(C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000292569101 511645756 /nfs/dbraw/zinc/64/57/56/511645756.db2.gz KFHLTGLXJIFTOS-YRVVQQKDSA-N 0 0 364.461 2.871 20 10 FFCDRN O=C(CCn1cccn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363619242 511660866 /nfs/dbraw/zinc/66/08/66/511660866.db2.gz BJLLOGCDVQWUGR-UHFFFAOYSA-N 0 0 364.396 2.660 20 10 FFCDRN Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 ZINC000284277347 511665204 /nfs/dbraw/zinc/66/52/04/511665204.db2.gz RPZTZMIHQIGMCM-UHFFFAOYSA-N 0 0 365.477 2.836 20 10 FFCDRN CCc1nc(C)c(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)o1 ZINC000292626744 511665548 /nfs/dbraw/zinc/66/55/48/511665548.db2.gz YNULOTAZEOTYCN-UHFFFAOYSA-N 0 0 363.801 2.869 20 10 FFCDRN Cc1ccccc1OCCN(C)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301603089 511698720 /nfs/dbraw/zinc/69/87/20/511698720.db2.gz KSWUQDYYBJPHGC-UHFFFAOYSA-N 0 0 357.366 2.749 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(C)(C)S(=O)(=O)C2CC2)C2CC2)cc1 ZINC000284461127 511732225 /nfs/dbraw/zinc/73/22/25/511732225.db2.gz XWFOSJDBDFMDBO-UHFFFAOYSA-N 0 0 364.511 2.599 20 10 FFCDRN CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000296415512 511733495 /nfs/dbraw/zinc/73/34/95/511733495.db2.gz LBIXMOFELRKJOT-RKDXNWHRSA-N 0 0 355.287 2.677 20 10 FFCDRN Cn1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1Br ZINC000274186467 511748060 /nfs/dbraw/zinc/74/80/60/511748060.db2.gz KHJLMOVPZQXNQL-UHFFFAOYSA-N 0 0 363.259 2.713 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1CCC(=O)[C@H]1C ZINC000281256952 511776724 /nfs/dbraw/zinc/77/67/24/511776724.db2.gz QNWXVANQFVKAKQ-NWDGAFQWSA-N 0 0 367.829 2.553 20 10 FFCDRN CCOC(=O)Cc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000281332666 511808348 /nfs/dbraw/zinc/80/83/48/511808348.db2.gz JRZHHYBOUMIGHS-CYBMUJFWSA-N 0 0 372.421 2.956 20 10 FFCDRN O=C(Cc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1)N1CCOCC1 ZINC000296706199 511864171 /nfs/dbraw/zinc/86/41/71/511864171.db2.gz HYNFGJCZRNQNHI-GOSISDBHSA-N 0 0 352.434 2.893 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000296791958 511898805 /nfs/dbraw/zinc/89/88/05/511898805.db2.gz GORARQFSIOKSAZ-UHFFFAOYSA-N 0 0 353.422 2.653 20 10 FFCDRN O=C1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCN1CC(F)(F)F ZINC000293721195 512062717 /nfs/dbraw/zinc/06/27/17/512062717.db2.gz VOFWVGPXPWCNAS-LLVKDONJSA-N 0 0 354.731 2.828 20 10 FFCDRN C[C@H](O)CCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000369633135 512523674 /nfs/dbraw/zinc/52/36/74/512523674.db2.gz ZSVCPYMQSMBLFI-ZDUSSCGKSA-N 0 0 371.428 2.717 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000373902985 512563855 /nfs/dbraw/zinc/56/38/55/512563855.db2.gz IHTPSZZKQOFDGJ-WBVHZDCISA-N 0 0 359.470 2.715 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)c(C)n1-c1ccccn1 ZINC000376350419 512779713 /nfs/dbraw/zinc/77/97/13/512779713.db2.gz IMSXWQXQOISTLZ-FUHWJXTLSA-N 0 0 367.449 2.699 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1nc(C2CCOCC2)cs1 ZINC000376775135 512982450 /nfs/dbraw/zinc/98/24/50/512982450.db2.gz ADJNHJZYDXTGJT-UHFFFAOYSA-N 0 0 363.439 2.813 20 10 FFCDRN C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)cc1 ZINC000376827481 513004201 /nfs/dbraw/zinc/00/42/01/513004201.db2.gz IVAFEPCWNQJMLO-WNBZUOHFSA-N 0 0 356.397 2.812 20 10 FFCDRN C[C@H]1CCC2=S=C(C(=O)Nc3ccc(-c4ccnn4C)nn3)C=C2C1 ZINC000415995986 513526283 /nfs/dbraw/zinc/52/62/83/513526283.db2.gz YVOKTMWOWGYLHY-NSHDSACASA-N 0 0 353.451 2.654 20 10 FFCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cnc(N(C)C)n1C ZINC000436473280 513863849 /nfs/dbraw/zinc/86/38/49/513863849.db2.gz RTDXNWCXUKFNFE-XYOKQWHBSA-N 0 0 355.467 2.819 20 10 FFCDRN CC(=O)N[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)c1cccs1 ZINC000437013169 514075195 /nfs/dbraw/zinc/07/51/95/514075195.db2.gz PHNGHMJEKFEDPK-HNNXBMFYSA-N 0 0 373.478 2.807 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CC[C@H](C(N)=O)CC1 ZINC000420844553 514331358 /nfs/dbraw/zinc/33/13/58/514331358.db2.gz SKJYZXOPJVOIKA-SHTZXODSSA-N 0 0 356.470 2.578 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCO[C@@H]1c1ccnn1C ZINC000502627814 514721827 /nfs/dbraw/zinc/72/18/27/514721827.db2.gz PMOHVXMVYVTGDD-KXBFYZLASA-N 0 0 367.453 2.550 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnc2ccc(C)cn2c1=O ZINC000471232986 514808685 /nfs/dbraw/zinc/80/86/85/514808685.db2.gz GKLFPAOGUWWDLJ-UHFFFAOYSA-N 0 0 360.417 2.733 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC3CCC(C(N)=O)CC3)ccc21 ZINC000490886963 515325789 /nfs/dbraw/zinc/32/57/89/515325789.db2.gz UUUKEPIQFCJZPK-UHFFFAOYSA-N 0 0 371.481 2.678 20 10 FFCDRN COCCO[C@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000511970862 516098997 /nfs/dbraw/zinc/09/89/97/516098997.db2.gz OEZVHGZJFAANGM-INIZCTEOSA-N 0 0 359.470 2.824 20 10 FFCDRN CCO[C@@H]1C[C@@H]1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000514708041 517014741 /nfs/dbraw/zinc/01/47/41/517014741.db2.gz LIDMSGZSYDRUJV-FXAWDEMLSA-N 0 0 355.482 2.701 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCc3ncc(C)cn3)ccc21 ZINC000533993948 517698792 /nfs/dbraw/zinc/69/87/92/517698792.db2.gz NBEJGURBJYTKKJ-UHFFFAOYSA-N 0 0 366.465 2.975 20 10 FFCDRN COC(=O)C1=S=C(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)C=C1 ZINC000610423290 520676804 /nfs/dbraw/zinc/67/68/04/520676804.db2.gz OMFAGUOLUDVARJ-UHFFFAOYSA-N 0 0 369.398 2.657 20 10 FFCDRN O=C(CCc1ccc(-c2nn[nH]n2)cc1)NCCCSc1nccs1 ZINC000737853257 598911911 /nfs/dbraw/zinc/91/19/11/598911911.db2.gz RUZQOOBEEQCSOY-UHFFFAOYSA-N 0 0 374.495 2.554 20 10 FFCDRN COCCCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736981485 598727537 /nfs/dbraw/zinc/72/75/37/598727537.db2.gz LHCBKZVWMPQGGL-UHFFFAOYSA-N 0 0 369.425 2.858 20 10 FFCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)o2)SC(=S)N1c1ccccc1 ZINC000823503377 599380595 /nfs/dbraw/zinc/38/05/95/599380595.db2.gz FELWEKCKXLDVMC-WQLSENKSSA-N 0 0 355.404 2.866 20 10 FFCDRN Cn1cc([C@H]2C[N@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)cn1 ZINC000833043662 601342876 /nfs/dbraw/zinc/34/28/76/601342876.db2.gz DUZQKABBLCJICV-GOSISDBHSA-N 0 0 367.405 2.551 20 10 FFCDRN C[NH+](C)CCN(Cc1ccco1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000830608773 601860193 /nfs/dbraw/zinc/86/01/93/601860193.db2.gz ICDNHXDIAAPZIS-SOFGYWHQSA-N 0 0 359.382 2.854 20 10 FFCDRN O=C([O-])NC[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000740615398 602572142 /nfs/dbraw/zinc/57/21/42/602572142.db2.gz YICDUJDMMPLLGM-LJQANCHMSA-N 0 0 361.486 2.829 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(NC(=O)[O-])nc1)c1ccc(N2CCOCC2)cc1 ZINC000825501104 603540564 /nfs/dbraw/zinc/54/05/64/603540564.db2.gz BRJVFOKNYQGQBE-CQSZACIVSA-N 0 0 356.426 2.859 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000827717476 604287343 /nfs/dbraw/zinc/28/73/43/604287343.db2.gz ILXGFUSGTDETOJ-KGLIPLIRSA-N 0 0 367.877 2.970 20 10 FFCDRN CC(C)[C@H](C[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)NC(=O)[O-] ZINC000825484566 604334723 /nfs/dbraw/zinc/33/47/23/604334723.db2.gz JFCRBCCXXPPEOP-CJNGLKHVSA-N 0 0 353.438 2.605 20 10 FFCDRN COc1cc(O)c(C[NH+]2CCC([C@H]3CCCN3C(=O)[O-])CC2)cc1OC ZINC000833887240 605498993 /nfs/dbraw/zinc/49/89/93/605498993.db2.gz CRMJDRPRGBPWIJ-OAHLLOKOSA-N 0 0 364.442 2.764 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c1 ZINC000833899151 605913012 /nfs/dbraw/zinc/91/30/12/605913012.db2.gz ZFEFLFPFGGQATM-LLVKDONJSA-N 0 0 357.248 2.895 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000822206233 606359625 /nfs/dbraw/zinc/35/96/25/606359625.db2.gz ZFBWVIDWBHYNDY-UHFFFAOYSA-N 0 0 369.404 2.702 20 10 FFCDRN COc1ccc(N(C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000821827485 606912521 /nfs/dbraw/zinc/91/25/21/606912521.db2.gz CPXWQKOAOKJYOP-HNNXBMFYSA-N 0 0 359.817 2.699 20 10 FFCDRN CCOc1ccc(N(C)Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)cc1 ZINC000825639527 607923522 /nfs/dbraw/zinc/92/35/22/607923522.db2.gz YWNOJVNLYKXPLL-UHFFFAOYSA-N 0 0 367.409 2.688 20 10 FFCDRN CCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825367430 608005601 /nfs/dbraw/zinc/00/56/01/608005601.db2.gz PWGQBVWBPQBXJX-ONNFQVAWSA-N 0 0 354.801 2.981 20 10 FFCDRN CC(C)Oc1ccc(NCc2cc3c(cc2O)OCO3)cc1-c1nn[nH]n1 ZINC000824329208 609489743 /nfs/dbraw/zinc/48/97/43/609489743.db2.gz LKGFRSGVLJRSID-UHFFFAOYSA-N 0 0 369.381 2.700 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)c1 ZINC000155409798 728827567 /nfs/dbraw/zinc/82/75/67/728827567.db2.gz RXXQVTRILOFDKA-UHFFFAOYSA-N 0 0 359.806 2.813 20 10 FFCDRN C[C@@H](O)C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000156843056 728860418 /nfs/dbraw/zinc/86/04/18/728860418.db2.gz DHBGCWHGJCWQCW-OAHLLOKOSA-N 0 0 363.527 2.542 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)C[C@@H](C)O1 ZINC000158060202 728881765 /nfs/dbraw/zinc/88/17/65/728881765.db2.gz AQSUWQFNLMAXBM-HIFRSBDPSA-N 0 0 362.451 2.558 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@]2(CCOC2)C1 ZINC000158222247 728884323 /nfs/dbraw/zinc/88/43/23/728884323.db2.gz IMZBQSRLVNMCCS-IBGZPJMESA-N 0 0 361.511 2.562 20 10 FFCDRN Cc1cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)c(OC(F)F)cc1C ZINC000743281978 735287512 /nfs/dbraw/zinc/28/75/12/735287512.db2.gz IANJEQNBIIICKL-WZUFQYTHSA-N 0 0 372.418 2.591 20 10 FFCDRN CN(CC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccccc1 ZINC000743861506 735322984 /nfs/dbraw/zinc/32/29/84/735322984.db2.gz XODHYJBVAHAXAO-UHFFFAOYSA-N 0 0 355.507 2.992 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)NC(=O)NC1CCCC1 ZINC000005263802 727780689 /nfs/dbraw/zinc/78/06/89/727780689.db2.gz HNJKKRBTTWNWMM-UHFFFAOYSA-N 0 0 358.467 2.948 20 10 FFCDRN COC(=O)COc1ccccc1/C=C1/SC(=S)N(C2CCC2)C1=O ZINC000899260786 735467474 /nfs/dbraw/zinc/46/74/74/735467474.db2.gz QQFLIACRLZPJKE-NTEUORMPSA-N 0 0 363.460 2.992 20 10 FFCDRN CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000018215294 727830238 /nfs/dbraw/zinc/83/02/38/727830238.db2.gz LWEYUDIACSGYAR-QGZVFWFLSA-N 0 0 359.495 2.885 20 10 FFCDRN COc1ccc2c(c1)CCCN2S(=O)(=O)c1cccc2nsnc21 ZINC000019100063 727831240 /nfs/dbraw/zinc/83/12/40/727831240.db2.gz QDAPWPPGQMDGOH-UHFFFAOYSA-N 0 0 361.448 2.841 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000026763526 727872059 /nfs/dbraw/zinc/87/20/59/727872059.db2.gz IYQWWUOJGGFIRP-WQLSENKSSA-N 0 0 353.787 2.551 20 10 FFCDRN CCN(C)c1ccc(/C=C2/SC(=S)N(c3cnn(C)c3)C2=O)cn1 ZINC000899260822 735467616 /nfs/dbraw/zinc/46/76/16/735467616.db2.gz RIYMPWBHCFSOAU-NTUHNPAUSA-N 0 0 359.480 2.677 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2cn3ccnc3s2)SC1=S ZINC000899260970 735467632 /nfs/dbraw/zinc/46/76/32/735467632.db2.gz WFDREKWDKZOXCT-YFHOEESVSA-N 0 0 367.477 2.550 20 10 FFCDRN CCN1C(=O)/C(=C\c2ccccc2O[C@H](C)C(=O)OC)SC1=S ZINC000899333691 735477123 /nfs/dbraw/zinc/47/71/23/735477123.db2.gz RSWZVCZIDOJITP-QQMDNXKGSA-N 0 0 351.449 2.848 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Cl)cc1[N+](=O)[O-] ZINC000899344798 735478260 /nfs/dbraw/zinc/47/82/60/735478260.db2.gz YKZSSKUGJPHXST-KPKJPENVSA-N 0 0 353.787 2.551 20 10 FFCDRN CC(C)OCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000053958093 728085941 /nfs/dbraw/zinc/08/59/41/728085941.db2.gz DUSFYOVPTZOSOT-KRWDZBQOSA-N 0 0 350.459 2.898 20 10 FFCDRN C=CCn1c(C)nn(CN2CCN(c3ccc(OC)cc3)CC2)c1=S ZINC000058260529 728114919 /nfs/dbraw/zinc/11/49/19/728114919.db2.gz MFPMVFBVZQXYBZ-UHFFFAOYSA-N 0 0 359.499 2.697 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N[C@H](C)c3cccs3)CC2)cc1 ZINC000078868551 728305351 /nfs/dbraw/zinc/30/53/51/728305351.db2.gz PWRVIHPIILASKN-OAHLLOKOSA-N 0 0 359.495 2.756 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CS(=O)(=O)C2CCCC2)cc1 ZINC000079391393 728312388 /nfs/dbraw/zinc/31/23/88/728312388.db2.gz AGPINGHZXJKXEJ-UHFFFAOYSA-N 0 0 352.500 2.506 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 ZINC000079389960 728312510 /nfs/dbraw/zinc/31/25/10/728312510.db2.gz UWCWWBFRGZYZKU-UHFFFAOYSA-N 0 0 360.479 2.866 20 10 FFCDRN COc1ccc(N2CCN([C@@H](C)C(=O)NCCC(C)C)CC2)cc1F ZINC000084866918 728426583 /nfs/dbraw/zinc/42/65/83/728426583.db2.gz NRPHTCRWVPLRCN-HNNXBMFYSA-N 0 0 351.466 2.507 20 10 FFCDRN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092734160 728470647 /nfs/dbraw/zinc/47/06/47/728470647.db2.gz JOTAUHVGSSGGRX-CYBMUJFWSA-N 0 0 355.276 2.893 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)c1[O-] ZINC000093011393 728473044 /nfs/dbraw/zinc/47/30/44/728473044.db2.gz VBQBJPYXRFIPPR-OAHLLOKOSA-N 0 0 369.849 2.641 20 10 FFCDRN CCN(Cc1ccccc1)c1ccc(CN2CCS(=O)(=O)CC2)cc1 ZINC000093047465 728473609 /nfs/dbraw/zinc/47/36/09/728473609.db2.gz HNYPKKPCZIGVMV-UHFFFAOYSA-N 0 0 358.507 2.944 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(Cl)cc2F)c1 ZINC000093901132 728478352 /nfs/dbraw/zinc/47/83/52/728478352.db2.gz AWBXUMBNXKTRLC-UHFFFAOYSA-N 0 0 358.778 2.809 20 10 FFCDRN Cc1ncsc1CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000103864215 728499883 /nfs/dbraw/zinc/49/98/83/728499883.db2.gz VNXCFHVOUKFPLC-CYBMUJFWSA-N 0 0 360.483 2.849 20 10 FFCDRN CN(CC(=O)Nc1ccnn1Cc1cccs1)Cc1ccccc1O ZINC000111235893 728535403 /nfs/dbraw/zinc/53/54/03/728535403.db2.gz XNOOJFFHOZAAJD-UHFFFAOYSA-N 0 0 356.451 2.769 20 10 FFCDRN CCS(=O)(=O)C[C@@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000113234622 728553001 /nfs/dbraw/zinc/55/30/01/728553001.db2.gz VOXGWICRZHCKHV-LLVKDONJSA-N 0 0 354.497 2.709 20 10 FFCDRN CCC[C@H](C)CS(=O)(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000113283380 728553831 /nfs/dbraw/zinc/55/38/31/728553831.db2.gz ADSWITRWJHADQY-JKSUJKDBSA-N 0 0 354.516 2.940 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCCN(C)CC(F)(F)F ZINC000115663490 728566661 /nfs/dbraw/zinc/56/66/61/728566661.db2.gz IOJLXDJIVXFAHR-UHFFFAOYSA-N 0 0 360.424 2.744 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)NCC(=O)OC(C)(C)C ZINC000115722290 728567032 /nfs/dbraw/zinc/56/70/32/728567032.db2.gz WAYVCZXMDOQKGL-UHFFFAOYSA-N 0 0 361.467 2.637 20 10 FFCDRN CS[C@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000120296781 728609317 /nfs/dbraw/zinc/60/93/17/728609317.db2.gz KIBJQIGDRZWXDG-MAUKXSAKSA-N 0 0 365.543 2.835 20 10 FFCDRN C[C@H](CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[S@@](C)=O ZINC000122495856 728648106 /nfs/dbraw/zinc/64/81/06/728648106.db2.gz XVQBSWSXTNWYAZ-CPJLOUKISA-N 0 0 365.543 2.879 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000123686090 728661437 /nfs/dbraw/zinc/66/14/37/728661437.db2.gz NVIJECYTWBELHR-CABZTGNLSA-N 0 0 354.712 2.841 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCC[C@@H](C)[S@](C)=O)c2C)cc1 ZINC000134630186 728731642 /nfs/dbraw/zinc/73/16/42/728731642.db2.gz DPTYCBJIKDAHND-DLUDVSRJSA-N 0 0 362.495 2.990 20 10 FFCDRN CCOc1ccc(N(C)CC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000150728057 728743367 /nfs/dbraw/zinc/74/33/67/728743367.db2.gz DQASFZTVKBTJNH-UHFFFAOYSA-N 0 0 362.451 2.564 20 10 FFCDRN CCn1cc(N2C(=O)/C(=C\c3cnn4ccccc34)SC2=S)cn1 ZINC000171770499 729012464 /nfs/dbraw/zinc/01/24/64/729012464.db2.gz PPTQROCXXHPVBF-VGOFMYFVSA-N 0 0 355.448 2.957 20 10 FFCDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCCCSc1nccs1 ZINC000173702431 729052515 /nfs/dbraw/zinc/05/25/15/729052515.db2.gz NTFJMZKSFGXTSC-LLVKDONJSA-N 0 0 352.529 2.971 20 10 FFCDRN CCSCC[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000175675015 729099575 /nfs/dbraw/zinc/09/95/75/729099575.db2.gz ZWEJWELKVHMCPA-AWEZNQCLSA-N 0 0 369.506 2.993 20 10 FFCDRN C[C@@H](O)CC(C)(C)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000175676130 729099637 /nfs/dbraw/zinc/09/96/37/729099637.db2.gz MNANNZLMHZBJFO-OAHLLOKOSA-N 0 0 365.543 2.836 20 10 FFCDRN CC(=O)NOCC(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C ZINC000178194867 729156676 /nfs/dbraw/zinc/15/66/76/729156676.db2.gz XOOWLPMNYWXDSP-UHFFFAOYSA-N 0 0 352.337 2.946 20 10 FFCDRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCc1ccc(O)c(O)c1 ZINC000778916490 738420905 /nfs/dbraw/zinc/42/09/05/738420905.db2.gz IWWZTKITDDHNHW-MRXNPFEDSA-N 0 0 354.328 2.607 20 10 FFCDRN Cc1ccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c(O)c1O ZINC000182532299 729280921 /nfs/dbraw/zinc/28/09/21/729280921.db2.gz HFTNFHZROUZSCC-MRXNPFEDSA-N 0 0 355.312 2.586 20 10 FFCDRN Cc1noc(C)c1CSCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183416144 729303729 /nfs/dbraw/zinc/30/37/29/729303729.db2.gz KVMVGESVHJUJEU-JTQLQIEISA-N 0 0 350.440 2.683 20 10 FFCDRN Cc1ncsc1/C=C/C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000188759755 729391526 /nfs/dbraw/zinc/39/15/26/729391526.db2.gz FCOSFTVJFCNPRP-BQYQJAHWSA-N 0 0 357.479 2.960 20 10 FFCDRN Cc1ccccc1C[C@@H](CO)NC(=O)NCCCSc1nccs1 ZINC000190249115 729406233 /nfs/dbraw/zinc/40/62/33/729406233.db2.gz AYYWFRHJUCXWOP-HNNXBMFYSA-N 0 0 365.524 2.837 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCOCC(F)(F)C(F)(F)F)cc1 ZINC000191141286 729414606 /nfs/dbraw/zinc/41/46/06/729414606.db2.gz PUZISKIEFZARSO-UHFFFAOYSA-N 0 0 354.319 2.973 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)CC[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000191338291 729415989 /nfs/dbraw/zinc/41/59/89/729415989.db2.gz AQKILGNFTMLFSB-ZDUSSCGKSA-N 0 0 355.500 2.707 20 10 FFCDRN O=S(=O)(c1ccc2c(c1)N(Cc1ccccc1O)CC2)N1CCCC1 ZINC000191561389 729417836 /nfs/dbraw/zinc/41/78/36/729417836.db2.gz XTIJEAFQURQSRC-UHFFFAOYSA-N 0 0 358.463 2.739 20 10 FFCDRN O=C(/C=C\c1cccnc1)N1CC(=O)Nc2ccc(Br)cc21 ZINC000756683793 736352255 /nfs/dbraw/zinc/35/22/55/736352255.db2.gz DTVDUJPJUAASEH-UTCJRWHESA-N 0 0 358.195 2.843 20 10 FFCDRN C[C@@H]1CN(C(=O)CN2CCCc3cc(OC(F)F)ccc32)C[C@@H](C)O1 ZINC000193988786 729496571 /nfs/dbraw/zinc/49/65/71/729496571.db2.gz MEADVXFZLZRICS-CHWSQXEVSA-N 0 0 354.397 2.676 20 10 FFCDRN CO[C@H](C)CS(=O)(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000195170558 729531525 /nfs/dbraw/zinc/53/15/25/729531525.db2.gz WDKKSWQZNVRPEL-OAHLLOKOSA-N 0 0 354.516 2.910 20 10 FFCDRN C[C@@H]1CN(Cc2csc(NC(=O)Cc3ccc(N)cc3)n2)C[C@H](C)O1 ZINC000237642294 729562487 /nfs/dbraw/zinc/56/24/87/729562487.db2.gz KDRZXBPXSUXHRK-BETUJISGSA-N 0 0 360.483 2.516 20 10 FFCDRN O=C(C[C@H]1CCCO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246977762 729592749 /nfs/dbraw/zinc/59/27/49/729592749.db2.gz QZDWQPILGNWURD-XJKSGUPXSA-N 0 0 354.397 2.942 20 10 FFCDRN Cc1cc(/C=C2\c3cc(S(N)(=O)=O)ccc3NC2=O)c(C)n1C1CC1 ZINC000255830129 729646964 /nfs/dbraw/zinc/64/69/64/729646964.db2.gz LCLFSXJVJHXONV-LZYBPNLTSA-N 0 0 357.435 2.580 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(Cl)n1 ZINC000856210209 730316091 /nfs/dbraw/zinc/31/60/91/730316091.db2.gz RPTXXYSFKSBVEN-UHFFFAOYSA-N 0 0 359.857 2.935 20 10 FFCDRN Cc1ncsc1CCC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856209701 730316172 /nfs/dbraw/zinc/31/61/72/730316172.db2.gz YFEBOYNXOSHCHD-UHFFFAOYSA-N 0 0 359.495 2.662 20 10 FFCDRN CSc1cccnc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856208979 730316195 /nfs/dbraw/zinc/31/61/95/730316195.db2.gz DNMCGNDGEUMYIA-UHFFFAOYSA-N 0 0 357.479 2.695 20 10 FFCDRN Cn1nccc1[C@@H](O)C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000857062680 730376916 /nfs/dbraw/zinc/37/69/16/730376916.db2.gz NGOWMFMETZPUSU-KRWDZBQOSA-N 0 0 353.825 2.864 20 10 FFCDRN Cn1nccc1[C@@H](O)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000857063209 730376926 /nfs/dbraw/zinc/37/69/26/730376926.db2.gz SAWFNJRORJUXSL-KRWDZBQOSA-N 0 0 353.825 2.864 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000858154970 730418088 /nfs/dbraw/zinc/41/80/88/730418088.db2.gz WZHAKEAXRHTCLK-SJLPKXTDSA-N 0 0 361.511 2.607 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccns1 ZINC000858155048 730418134 /nfs/dbraw/zinc/41/81/34/730418134.db2.gz YPYDYXBXLOIKRV-GFCCVEGCSA-N 0 0 364.446 2.679 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000858311765 730422420 /nfs/dbraw/zinc/42/24/20/730422420.db2.gz MLQOFPZHEXPAED-ZDUSSCGKSA-N 0 0 351.447 2.661 20 10 FFCDRN CON(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000858580306 730429165 /nfs/dbraw/zinc/42/91/65/730429165.db2.gz MXTUIJPPHIIIJT-YUMQZZPRSA-N 0 0 365.655 2.867 20 10 FFCDRN CCc1[nH]nc(Cl)c1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000858667688 730431164 /nfs/dbraw/zinc/43/11/64/730431164.db2.gz WNJWSRWILGOTBG-UHFFFAOYSA-N 0 0 362.861 2.987 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccns1 ZINC000858954601 730437853 /nfs/dbraw/zinc/43/78/53/730437853.db2.gz XNRBEDWVOCYHNO-CYBMUJFWSA-N 0 0 360.483 2.665 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccns1 ZINC000858967149 730438460 /nfs/dbraw/zinc/43/84/60/730438460.db2.gz YQZHSNFYXMNQRS-AWEZNQCLSA-N 0 0 360.483 2.882 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCC[S@@](C)=O)ccc1C ZINC000859317353 730450032 /nfs/dbraw/zinc/45/00/32/730450032.db2.gz FTZJJLKFRJPKQZ-RUZDIDTESA-N 0 0 360.479 2.713 20 10 FFCDRN CC[S@](=O)CCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC000859320269 730450060 /nfs/dbraw/zinc/45/00/60/730450060.db2.gz GBLQODORJAMJOA-VWLOTQADSA-N 0 0 360.479 2.713 20 10 FFCDRN O=C(NCCCSc1nccs1)c1ccc(Cn2ccnn2)cc1 ZINC000859352208 730451443 /nfs/dbraw/zinc/45/14/43/730451443.db2.gz NVYYBRDOHLQIMB-UHFFFAOYSA-N 0 0 359.480 2.695 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@]2(O)CCSC2)c1 ZINC000859827149 730466812 /nfs/dbraw/zinc/46/68/12/730466812.db2.gz LVFJDGUXPHUHQD-IBGZPJMESA-N 0 0 358.463 2.504 20 10 FFCDRN CC(C)CN1CCN(C(=O)NCCCSc2nccs2)[C@@H](C)C1=O ZINC000779632272 738473258 /nfs/dbraw/zinc/47/32/58/738473258.db2.gz ZIEZMLQXUZBKKK-ZDUSSCGKSA-N 0 0 370.544 2.524 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@@H](C)[S@@](C)=O ZINC000860202969 730487084 /nfs/dbraw/zinc/48/70/84/730487084.db2.gz UBWARNQWMBWECX-DLUDVSRJSA-N 0 0 360.479 2.794 20 10 FFCDRN CN(C)C(=O)CN(Cc1c(O)cccc1Br)CC(F)(F)F ZINC000862226739 730678386 /nfs/dbraw/zinc/67/83/86/730678386.db2.gz MLRJNLSGJCUEOR-UHFFFAOYSA-N 0 0 369.181 2.607 20 10 FFCDRN CCOC(=O)C[C@@H]1C[C@@H](OC)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862331723 730688814 /nfs/dbraw/zinc/68/88/14/730688814.db2.gz NIDFBCMKFCPTJE-UONOGXRCSA-N 0 0 356.413 2.573 20 10 FFCDRN C[C@@H]1OCC[C@@]12CN(Cc1c(O)cccc1Br)C[C@@H](C)O2 ZINC000862351093 730690427 /nfs/dbraw/zinc/69/04/27/730690427.db2.gz GMDQTFISNLASAX-BFQNTYOBSA-N 0 0 356.260 2.923 20 10 FFCDRN CC[C@H]1CN(Cc2c(O)cccc2Br)C[C@]2(CCOC2)O1 ZINC000862352118 730691040 /nfs/dbraw/zinc/69/10/40/730691040.db2.gz ZRBRAZSJJVEACM-LRDDRELGSA-N 0 0 356.260 2.925 20 10 FFCDRN COCCN(Cc1c(O)cccc1Br)C[C@@H](O)C(F)(F)F ZINC000862402969 730697621 /nfs/dbraw/zinc/69/76/21/730697621.db2.gz UKJATRRGQWHBJP-GFCCVEGCSA-N 0 0 372.181 2.526 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2cc(Br)cnc2N(C)C)c1 ZINC000862760230 730724015 /nfs/dbraw/zinc/72/40/15/730724015.db2.gz OFOZTGFRGRTMPH-UHFFFAOYSA-N 0 0 364.243 2.854 20 10 FFCDRN Cc1cc(CNC(=O)[C@H](C)CS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000863162121 730753191 /nfs/dbraw/zinc/75/31/91/730753191.db2.gz UIAPHCYCXBISPU-CQSZACIVSA-N 0 0 362.495 2.699 20 10 FFCDRN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000863939228 730816772 /nfs/dbraw/zinc/81/67/72/730816772.db2.gz ZCGNRXDYDLUGHT-WDEREUQCSA-N 0 0 353.390 2.677 20 10 FFCDRN O=C1/C(=C\c2cn(C[C@H]3CCCO3)nn2)SC(=S)N1c1ccccc1 ZINC000865215327 730924775 /nfs/dbraw/zinc/92/47/75/730924775.db2.gz OHBCDYBYRNJDBS-UWZYDCLUSA-N 0 0 372.475 2.863 20 10 FFCDRN O=C(Cc1cn2cc(F)ccc2n1)NCCCSc1nccs1 ZINC000865785947 730997638 /nfs/dbraw/zinc/99/76/38/730997638.db2.gz WUIGFXDFTVXWOM-UHFFFAOYSA-N 0 0 350.444 2.771 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)CCCC(C)(F)F)C2)cc1 ZINC000917169618 737744705 /nfs/dbraw/zinc/74/47/05/737744705.db2.gz OQDZSBPYANZZHI-CYBMUJFWSA-N 0 0 362.442 2.629 20 10 FFCDRN C[C@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000866522412 731070271 /nfs/dbraw/zinc/07/02/71/731070271.db2.gz VSHUBIWKJRYRSN-BJOHPYRUSA-N 0 0 361.225 2.571 20 10 FFCDRN COC[C@@H](C)OC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000866542078 731072583 /nfs/dbraw/zinc/07/25/83/731072583.db2.gz DYGNOUVTOQYUFR-HZSPNIEDSA-N 0 0 354.422 2.700 20 10 FFCDRN CC(C)n1ncc(C(=O)NCCc2ccc(O)c(O)c2)c1Br ZINC000866757315 731096192 /nfs/dbraw/zinc/09/61/92/731096192.db2.gz PWYUBNPQVXFJOX-UHFFFAOYSA-N 0 0 368.231 2.610 20 10 FFCDRN O=c1[nH]cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)s1 ZINC000866842624 731107295 /nfs/dbraw/zinc/10/72/95/731107295.db2.gz FPDCFFOPFPLWNR-UHFFFAOYSA-N 0 0 354.453 2.688 20 10 FFCDRN O=S(=O)(c1cnc2onc(C3CC3)c2c1)N1Cc2cccc(O)c2C1 ZINC000867691557 731213885 /nfs/dbraw/zinc/21/38/85/731213885.db2.gz ZWBIAZPQCYOMSU-UHFFFAOYSA-N 0 0 357.391 2.510 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1c[nH]nc1[C@@H]1CCCO1 ZINC000867830962 731231525 /nfs/dbraw/zinc/23/15/25/731231525.db2.gz MNGRCJBDPDDOFB-LBPRGKRZSA-N 0 0 366.215 2.659 20 10 FFCDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000919724723 737874256 /nfs/dbraw/zinc/87/42/56/737874256.db2.gz ALUKDBIWFLHCIS-IYBDPMFKSA-N 0 0 351.516 2.599 20 10 FFCDRN CCOC(=O)[C@H]1CSCCN1Cc1cc(Br)cc(C)c1O ZINC000775648040 738109193 /nfs/dbraw/zinc/10/91/93/738109193.db2.gz NQMCNUNRSSZLET-CYBMUJFWSA-N 0 0 374.300 2.944 20 10 FFCDRN Cc1nccnc1[C@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000873246750 731895193 /nfs/dbraw/zinc/89/51/93/731895193.db2.gz AKFWCDCGIWHGFB-JTQLQIEISA-N 0 0 365.231 2.814 20 10 FFCDRN Cc1nccnc1[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000873243858 731895234 /nfs/dbraw/zinc/89/52/34/731895234.db2.gz NTLNSGXOIHRNOT-JTQLQIEISA-N 0 0 365.231 2.814 20 10 FFCDRN COC[C@]1(C(=O)[O-])CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000874042451 732000250 /nfs/dbraw/zinc/00/02/50/732000250.db2.gz HOVUIHXVXOTOOA-INIZCTEOSA-N 0 0 360.376 2.695 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000876770667 732279162 /nfs/dbraw/zinc/27/91/62/732279162.db2.gz PDEHXMNHJSSFHK-DYVFJYSZSA-N 0 0 358.404 2.799 20 10 FFCDRN O=S1(=O)CCCN1c1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877374395 732354927 /nfs/dbraw/zinc/35/49/27/732354927.db2.gz IBFRSELPJXCOKR-UHFFFAOYSA-N 0 0 368.405 2.500 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(CCO)(CCO)CC2)c1 ZINC000877690397 732414383 /nfs/dbraw/zinc/41/43/83/732414383.db2.gz FDZVKWMSHFIBNY-UHFFFAOYSA-N 0 0 372.303 2.810 20 10 FFCDRN COC(=O)c1cc(NC(=O)NCc2cc(OC)ccc2O)c(C)s1 ZINC000879854461 732787612 /nfs/dbraw/zinc/78/76/12/732787612.db2.gz FFXXPWHNXQZXPK-UHFFFAOYSA-N 0 0 350.396 2.879 20 10 FFCDRN O=C(C[C@@H]1C[C@H]1C1CC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000880265272 732876288 /nfs/dbraw/zinc/87/62/88/732876288.db2.gz XYOCVAADXVKKPW-GJZGRUSLSA-N 0 0 350.409 2.854 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000926929624 738669796 /nfs/dbraw/zinc/66/97/96/738669796.db2.gz XXFHVKGMBIEIGE-SECBINFHSA-N 0 0 357.332 2.782 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCOC3(CCOCC3)C2)c1 ZINC000781909971 738671634 /nfs/dbraw/zinc/67/16/34/738671634.db2.gz SCHSHXWBGMEWCM-UHFFFAOYSA-N 0 0 356.260 2.845 20 10 FFCDRN Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(O)c(C(C)C)c3)cc12 ZINC000882798769 733296738 /nfs/dbraw/zinc/29/67/38/733296738.db2.gz CPWYGJQDIKNCPF-UHFFFAOYSA-N 0 0 360.439 2.907 20 10 FFCDRN CCC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000883045436 733325830 /nfs/dbraw/zinc/32/58/30/733325830.db2.gz YNGFCCNAIONLMW-NSHDSACASA-N 0 0 361.667 2.909 20 10 FFCDRN O=S1(=O)CCN(c2cccc(NCc3cc(F)cc(F)c3O)c2)CC1 ZINC000883057464 733327208 /nfs/dbraw/zinc/32/72/08/733327208.db2.gz OZYWKMOIDRAMTH-UHFFFAOYSA-N 0 0 368.405 2.517 20 10 FFCDRN CS(=O)(=O)CCOc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000883060199 733327504 /nfs/dbraw/zinc/32/75/04/733327504.db2.gz ATTQMYUPIAJABU-UHFFFAOYSA-N 0 0 357.378 2.706 20 10 FFCDRN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883088985 733331109 /nfs/dbraw/zinc/33/11/09/733331109.db2.gz XALAQWFMBMRZQN-UHFFFAOYSA-N 0 0 368.405 2.500 20 10 FFCDRN CC(C)[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1nncn1C ZINC000883116847 733337125 /nfs/dbraw/zinc/33/71/25/733337125.db2.gz HUNOXFBZVUTYCI-LBPRGKRZSA-N 0 0 357.227 2.909 20 10 FFCDRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000883119776 733337705 /nfs/dbraw/zinc/33/77/05/733337705.db2.gz KHJCOFMZJSLQHW-BDAKNGLRSA-N 0 0 370.425 2.837 20 10 FFCDRN CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1[O-])[C@@]1(O)CCOC1 ZINC000883152800 733343241 /nfs/dbraw/zinc/34/32/41/733343241.db2.gz HQPHVHDMMYAHTJ-OAHLLOKOSA-N 0 0 362.239 2.561 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccccc2-c2ccno2)c1 ZINC000782459974 738723910 /nfs/dbraw/zinc/72/39/10/738723910.db2.gz UKJHOIMDGOMXAH-UHFFFAOYSA-N 0 0 360.391 2.534 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C)cnc2Cl)c1 ZINC000885025685 733612799 /nfs/dbraw/zinc/61/27/99/733612799.db2.gz OKFAPTRMSWDKCG-JTQLQIEISA-N 0 0 356.831 2.797 20 10 FFCDRN Cc1nc(C(F)(F)F)ccc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782695902 738749140 /nfs/dbraw/zinc/74/91/40/738749140.db2.gz LBAZRRCTDISVTB-UHFFFAOYSA-N 0 0 355.268 2.860 20 10 FFCDRN Cc1nccc(NC(=O)NCc2ccc(N(C)C)cc2)c1Br ZINC000782856524 738759764 /nfs/dbraw/zinc/75/97/64/738759764.db2.gz DOZHYSROHCYWJY-UHFFFAOYSA-N 0 0 363.259 2.962 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000888295520 734034200 /nfs/dbraw/zinc/03/42/00/734034200.db2.gz NCJDIPVMWIMYIW-INIZCTEOSA-N 0 0 359.392 2.517 20 10 FFCDRN C[C@H](NC(=O)N1CC[C@](CO)(C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000888829339 734103018 /nfs/dbraw/zinc/10/30/18/734103018.db2.gz DRQHSEFGDSWSRD-LRDDRELGSA-N 0 0 359.392 2.770 20 10 FFCDRN C[C@H]1CO[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000888857907 734106488 /nfs/dbraw/zinc/10/64/88/734106488.db2.gz JLUWRHCMUHRJJI-WBMJQRKESA-N 0 0 354.397 2.798 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H](CCO)C(F)(F)F ZINC000889249356 734157125 /nfs/dbraw/zinc/15/71/25/734157125.db2.gz XKLXKNCXZOGYJV-SWLSCSKDSA-N 0 0 361.408 2.605 20 10 FFCDRN O=C(COC(=O)c1csc(-c2ccccn2)n1)c1ccc(O)c(O)c1 ZINC000783333460 738800296 /nfs/dbraw/zinc/80/02/96/738800296.db2.gz BJIFYSDAUYZSGV-UHFFFAOYSA-N 0 0 356.359 2.656 20 10 FFCDRN COCC[C@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708124973 734362579 /nfs/dbraw/zinc/36/25/79/734362579.db2.gz KGFHCTKOIYIBCV-ZDUSSCGKSA-N 0 0 352.656 2.685 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)c3cccc(F)c3F)ccc21 ZINC000725830710 734394712 /nfs/dbraw/zinc/39/47/12/734394712.db2.gz DUPTZAIGENIMIF-UHFFFAOYSA-N 0 0 352.406 2.826 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)Cc2cnccc2Cl)[NH+](C)C)cc1 ZINC000891249918 734404648 /nfs/dbraw/zinc/40/46/48/734404648.db2.gz UKJRENFOSXYJDW-GOSISDBHSA-N 0 0 360.889 2.763 20 10 FFCDRN Cc1cc(CC(=O)N2CCCNC(=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000726782123 734444846 /nfs/dbraw/zinc/44/48/46/734444846.db2.gz KMFSENGRYGHOQG-UHFFFAOYSA-N 0 0 359.857 2.639 20 10 FFCDRN O=S1(=O)CCN(c2ccc(CNc3nc4ccccc4o3)cc2)CC1 ZINC000726968264 734456388 /nfs/dbraw/zinc/45/63/88/734456388.db2.gz XVQFUNQMIOGIGM-UHFFFAOYSA-N 0 0 357.435 2.675 20 10 FFCDRN CCCCCS(=O)(=O)CC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000728021375 734512877 /nfs/dbraw/zinc/51/28/77/734512877.db2.gz PKDHMAXJTQTSRC-UHFFFAOYSA-N 0 0 354.516 2.706 20 10 FFCDRN COc1ccc(C[N@H+](C)CCCNC(=O)OC(C)(C)C)c(O)c1OC ZINC000892082889 734512960 /nfs/dbraw/zinc/51/29/60/734512960.db2.gz BCHNHUXNEIGYFF-UHFFFAOYSA-N 0 0 354.447 2.756 20 10 FFCDRN CC(C)(C)OC(=O)NCCCNC(=O)NCc1cccc(Cl)c1O ZINC000892781826 734602702 /nfs/dbraw/zinc/60/27/02/734602702.db2.gz DWHRDQGKWSSIMU-UHFFFAOYSA-N 0 0 357.838 2.760 20 10 FFCDRN COCCOc1ccc(CN(C)c2cc(OC)c(OC)c(OC)c2)o1 ZINC000893462580 734704575 /nfs/dbraw/zinc/70/45/75/734704575.db2.gz SOEYANNCIXWMLH-UHFFFAOYSA-N 0 0 351.399 2.967 20 10 FFCDRN COC(=O)c1c(C)c(C)sc1NC(=O)COC(=O)C1=CC(=O)CS1 ZINC000731909607 734704864 /nfs/dbraw/zinc/70/48/64/734704864.db2.gz FPBQAGIQSIDLQX-UHFFFAOYSA-N 0 0 369.420 2.714 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000893582910 734721943 /nfs/dbraw/zinc/72/19/43/734721943.db2.gz WYPHKRUPHNRHDO-LBPRGKRZSA-N 0 0 364.808 2.658 20 10 FFCDRN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000732354986 734737215 /nfs/dbraw/zinc/73/72/15/734737215.db2.gz 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/nfs/dbraw/zinc/87/56/19/734875619.db2.gz DHUIXZISOMJKQH-UHFFFAOYSA-N 0 0 350.228 2.779 20 10 FFCDRN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC000734406544 734894157 /nfs/dbraw/zinc/89/41/57/734894157.db2.gz UTWYYRNMNCRMTJ-SUMWQHHRSA-N 0 0 363.527 2.625 20 10 FFCDRN CC(C)(C)OC(=O)NC/C=C/CNC(=O)NCc1cccc(Cl)c1O ZINC000894910858 734935445 /nfs/dbraw/zinc/93/54/45/734935445.db2.gz RZVFYRZMIBZVEQ-SNAWJCMRSA-N 0 0 369.849 2.926 20 10 FFCDRN CN(C)C(=O)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894991777 734949194 /nfs/dbraw/zinc/94/91/94/734949194.db2.gz GBEYDWFNXJIHPX-SECBINFHSA-N 0 0 361.667 2.718 20 10 FFCDRN O=C(CCOCC(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000735517764 734949782 /nfs/dbraw/zinc/94/97/82/734949782.db2.gz NUHIZKJFFGKDLJ-CQSZACIVSA-N 0 0 361.360 2.869 20 10 FFCDRN CCCCOCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000735633750 734953819 /nfs/dbraw/zinc/95/38/19/734953819.db2.gz VCVMKPVEJQIYRI-HUUCEWRRSA-N 0 0 352.450 2.872 20 10 FFCDRN O=C1CCCN1C[C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000895334610 734992269 /nfs/dbraw/zinc/99/22/69/734992269.db2.gz JWLWVMREICPQNZ-NSHDSACASA-N 0 0 371.250 2.738 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC3(CC2)COCCO3)c1 ZINC000895696594 735041935 /nfs/dbraw/zinc/04/19/35/735041935.db2.gz WQJDYVOHLYWMGP-UHFFFAOYSA-N 0 0 356.260 2.845 20 10 FFCDRN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc(O)cc3C)cc21 ZINC000740700898 735081527 /nfs/dbraw/zinc/08/15/27/735081527.db2.gz IWLSGZLLUYUPAD-UHFFFAOYSA-N 0 0 360.435 2.801 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1c[nH]c(=O)c(Br)c1 ZINC000742075592 735200453 /nfs/dbraw/zinc/20/04/53/735200453.db2.gz FGERWCJILHTXBF-UHFFFAOYSA-N 0 0 364.243 2.854 20 10 FFCDRN C[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@]2(CCCOC2)O1 ZINC000897634103 735258321 /nfs/dbraw/zinc/25/83/21/735258321.db2.gz DJLLDRHSYSOYHE-BBATYDOGSA-N 0 0 363.435 2.723 20 10 FFCDRN CCNC(=O)[C@H](C)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000747587750 735571485 /nfs/dbraw/zinc/57/14/85/735571485.db2.gz 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/nfs/dbraw/zinc/86/33/27/735863327.db2.gz HGZCWTKTHVXAGS-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000751318619 735863627 /nfs/dbraw/zinc/86/36/27/735863627.db2.gz NBBSZBHDDLPONV-GFCCVEGCSA-N 0 0 358.419 2.989 20 10 FFCDRN CC(C)CNC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751936521 735937550 /nfs/dbraw/zinc/93/75/50/735937550.db2.gz JETFOIMIEYGTQM-GFCCVEGCSA-N 0 0 361.467 2.634 20 10 FFCDRN C[C@@H]([NH2+]CCCON)c1cc(Br)cc(Br)c1[O-] ZINC000902425370 735944849 /nfs/dbraw/zinc/94/48/49/735944849.db2.gz MWDUGZMLMSPIMK-SSDOTTSWSA-N 0 0 368.069 2.848 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000753722717 736089760 /nfs/dbraw/zinc/08/97/60/736089760.db2.gz FLFDWODURIXQLO-HDJSIYSDSA-N 0 0 371.275 2.990 20 10 FFCDRN CCn1cc([C@H]2C[S@](=O)CCN2Cc2cc(Cl)ccc2O)cn1 ZINC000754153868 736131347 /nfs/dbraw/zinc/13/13/47/736131347.db2.gz JWIWUPYFVMGHGB-IQMFZBJNSA-N 0 0 353.875 2.568 20 10 FFCDRN CCNC(=O)C1CN(C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1 ZINC000754375460 736152743 /nfs/dbraw/zinc/15/27/43/736152743.db2.gz XXTRYIKSAQXDTN-UHFFFAOYSA-N 0 0 359.857 2.956 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc(F)cc(F)c1[O-] ZINC000756386761 736326957 /nfs/dbraw/zinc/32/69/57/736326957.db2.gz ZMDPQUVMOZVSSF-JTQLQIEISA-N 0 0 356.394 2.893 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCOCC2CCOCC2)c1 ZINC000756607013 736346692 /nfs/dbraw/zinc/34/66/92/736346692.db2.gz XVYMQXHDPTVNOW-AWEZNQCLSA-N 0 0 351.443 2.663 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cnn(CC(F)(F)F)c2)c1 ZINC000756657615 736350323 /nfs/dbraw/zinc/35/03/23/736350323.db2.gz DNUZAPYVRSTRLZ-JTQLQIEISA-N 0 0 357.332 2.788 20 10 FFCDRN CC(C)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])C1=O ZINC000756708647 736353881 /nfs/dbraw/zinc/35/38/81/736353881.db2.gz FEZJXKSGHSAHFF-TVQRCGJNSA-N 0 0 359.239 2.954 20 10 FFCDRN CCNC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000756759558 736359692 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COc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1OC ZINC000907134693 736588250 /nfs/dbraw/zinc/58/82/50/736588250.db2.gz MQKWHLBCTAQYIZ-ZDUSSCGKSA-N 0 0 364.467 2.809 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CSC(c2ccccc2)=N1 ZINC000907274128 736604884 /nfs/dbraw/zinc/60/48/84/736604884.db2.gz PKLMDHMHGKXTJV-WFASDCNBSA-N 0 0 356.447 2.707 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(N2CCCCC2)n1 ZINC000907274072 736604887 /nfs/dbraw/zinc/60/48/87/736604887.db2.gz OJOAZJCOHWYZFB-LBPRGKRZSA-N 0 0 361.467 2.906 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC[C@H]1CCCO1 ZINC000760539914 736648374 /nfs/dbraw/zinc/64/83/74/736648374.db2.gz JCXHSGCSNHAODM-GOSISDBHSA-N 0 0 354.516 2.862 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CC[S@@](=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000762232262 736805286 /nfs/dbraw/zinc/80/52/86/736805286.db2.gz HJDYCOFQTCNSAU-LFVRLGFBSA-N 0 0 350.871 2.998 20 10 FFCDRN COc1ccc(Cl)cc1NCC(=O)NCCc1ccc(O)c(O)c1 ZINC000762275509 736810315 /nfs/dbraw/zinc/81/03/15/736810315.db2.gz 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FFCDRN O=C([C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)N1CCCC1 ZINC000769403992 737525315 /nfs/dbraw/zinc/52/53/15/737525315.db2.gz GSJKTHAHPMQSPE-LBPRGKRZSA-N 0 0 367.833 2.788 20 10 FFCDRN CCS[C@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769958379 737586874 /nfs/dbraw/zinc/58/68/74/737586874.db2.gz UDFHQYIEGGKPRN-HIFRSBDPSA-N 0 0 372.512 2.558 20 10 FFCDRN Cc1nnc([C@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)[nH]1 ZINC000770348193 737617826 /nfs/dbraw/zinc/61/78/26/737617826.db2.gz HJCDQUZGFKCZJB-LBPRGKRZSA-N 0 0 351.248 2.961 20 10 FFCDRN C[C@H](CC(C)(C)C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000772280049 737799340 /nfs/dbraw/zinc/79/93/40/737799340.db2.gz XIFWHZSHNKJGSS-OAHLLOKOSA-N 0 0 366.527 2.610 20 10 FFCDRN CCCC[C@H](CC)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000918644755 737815698 /nfs/dbraw/zinc/81/56/98/737815698.db2.gz JFDSWCYQNGFXQY-KRWDZBQOSA-N 0 0 366.527 2.754 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000919080717 737838731 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COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC1(OC)CCC1 ZINC000790847976 739504018 /nfs/dbraw/zinc/50/40/18/739504018.db2.gz FDUNWAWODRDEHZ-UHFFFAOYSA-N 0 0 355.818 2.506 20 10 FFCDRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2O)c(F)c1 ZINC000790847674 739504050 /nfs/dbraw/zinc/50/40/50/739504050.db2.gz BYNMRJFPNVTJBP-JTQLQIEISA-N 0 0 355.387 2.588 20 10 FFCDRN C[C@H]1OCC[C@@]12C[N@H+](Cc1cccc(Br)c1[O-])C[C@@H](C)O2 ZINC000790930634 739515105 /nfs/dbraw/zinc/51/51/05/739515105.db2.gz BETHSBFCZJFEBG-XHBSWPGZSA-N 0 0 356.260 2.923 20 10 FFCDRN CO[C@]1(C)CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000792035004 739628241 /nfs/dbraw/zinc/62/82/41/739628241.db2.gz IGJKCYPMPUJPHD-LJQANCHMSA-N 0 0 363.527 2.950 20 10 FFCDRN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792179659 739647659 /nfs/dbraw/zinc/64/76/59/739647659.db2.gz JQMPIYNVTKYVDX-MRVPVSSYSA-N 0 0 354.731 2.685 20 10 FFCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000792702147 739695425 /nfs/dbraw/zinc/69/54/25/739695425.db2.gz 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/nfs/dbraw/zinc/92/19/60/740921960.db2.gz RNNPHOUQTOGNIS-UHFFFAOYSA-N 0 0 361.801 2.558 20 10 FFCDRN COCc1ccccc1CS(=O)(=O)NCCCSc1nccs1 ZINC000805002061 740924488 /nfs/dbraw/zinc/92/44/88/740924488.db2.gz UAFMZDFSHXHDJW-UHFFFAOYSA-N 0 0 372.537 2.891 20 10 FFCDRN CC(C)(C(=O)NCc1ccccc1O)S(=O)(=O)c1ccc(Cl)cc1 ZINC000806718116 741081004 /nfs/dbraw/zinc/08/10/04/741081004.db2.gz SYNCTTVNEPQBER-UHFFFAOYSA-N 0 0 367.854 2.914 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCOc2cc(O)ccc2C1 ZINC000806961666 741098427 /nfs/dbraw/zinc/09/84/27/741098427.db2.gz UTFQQKJGOJVEMP-UHFFFAOYSA-N 0 0 365.480 2.935 20 10 FFCDRN CNC(=O)OC[C@H]1CCCCN1C(=O)NCCCSc1nccs1 ZINC000806958475 741098490 /nfs/dbraw/zinc/09/84/90/741098490.db2.gz IMDKXWKFNSRXFZ-GFCCVEGCSA-N 0 0 372.516 2.545 20 10 FFCDRN O=C(NCCc1cscn1)NCc1cc(Br)ccc1O ZINC000806992767 741100417 /nfs/dbraw/zinc/10/04/17/741100417.db2.gz LMEYOZRLEZAJLY-UHFFFAOYSA-N 0 0 356.245 2.653 20 10 FFCDRN C[C@@H]1CSC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000807476511 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CCN(CC)c1ccc(CN2CCC[C@@H](S(=O)(=O)N(C)C)C2)cc1F ZINC000809688201 741331734 /nfs/dbraw/zinc/33/17/34/741331734.db2.gz DVUXUGQMQLBCIN-MRXNPFEDSA-N 0 0 371.522 2.528 20 10 FFCDRN CNC(=O)CC[C@H]1CCCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809714000 741335800 /nfs/dbraw/zinc/33/58/00/741335800.db2.gz UBXQCDNYVKNWCY-CYBMUJFWSA-N 0 0 355.822 2.835 20 10 FFCDRN CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809778798 741342904 /nfs/dbraw/zinc/34/29/04/741342904.db2.gz WFWWOPWGZLVSDB-GFCCVEGCSA-N 0 0 355.822 2.692 20 10 FFCDRN COC(C)(C)CS(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000809806606 741345417 /nfs/dbraw/zinc/34/54/17/741345417.db2.gz QLFITLRBQGNABW-UHFFFAOYSA-N 0 0 364.511 2.981 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CSc2cccc(C(N)=O)c2)cc1 ZINC000809988262 741370463 /nfs/dbraw/zinc/37/04/63/741370463.db2.gz ALOXCSSIFQQCRS-UHFFFAOYSA-N 0 0 357.479 2.602 20 10 FFCDRN Cc1cc(C(=O)NCCS(=O)(=O)C(C)C)c(C)n1-c1ccccc1C ZINC000811552684 741536171 /nfs/dbraw/zinc/53/61/71/741536171.db2.gz JLOOSZLOBVWCTD-UHFFFAOYSA-N 0 0 362.495 2.956 20 10 FFCDRN COc1c(O)c(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000814175509 741800517 /nfs/dbraw/zinc/80/05/17/741800517.db2.gz JVUKATYIFRTRCE-NSHDSACASA-N 0 0 364.320 2.851 20 10 FFCDRN C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c3nonc32)c2ccccc2O1 ZINC000814383469 741816633 /nfs/dbraw/zinc/81/66/33/741816633.db2.gz UHAYFZJVGLSPLD-SECBINFHSA-N 0 0 365.798 2.852 20 10 FFCDRN C[C@H](COC1CCCC1)CS(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000814980332 741878772 /nfs/dbraw/zinc/87/87/72/741878772.db2.gz JMSZPGDPQSSEML-OAHLLOKOSA-N 0 0 354.516 2.767 20 10 FFCDRN C[C@@H]([NH2+]CCCc1cnn(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000815640524 741949732 /nfs/dbraw/zinc/94/97/32/741949732.db2.gz ZVNRNAJCZGZRGO-SECBINFHSA-N 0 0 357.227 2.706 20 10 FFCDRN CN(C)C(=O)OC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000816655081 742051205 /nfs/dbraw/zinc/05/12/05/742051205.db2.gz OXBLHYHHEVCZMB-UHFFFAOYSA-N 0 0 357.248 2.817 20 10 FFCDRN CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc(O)c(F)c1F ZINC000817352783 742127621 /nfs/dbraw/zinc/12/76/21/742127621.db2.gz MMGCFUZWRNTOSN-LBPRGKRZSA-N 0 0 357.378 2.670 20 10 FFCDRN C[NH2+]CCN[C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817952086 742223766 /nfs/dbraw/zinc/22/37/66/742223766.db2.gz MXAFRDZVTHNREU-ZETCQYMHSA-N 0 0 352.070 2.787 20 10 FFCDRN CCOC(=O)CC[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997605 742227453 /nfs/dbraw/zinc/22/74/53/742227453.db2.gz RZVNGNWMTCDEGL-GFCCVEGCSA-N 0 0 361.467 2.778 20 10 FFCDRN C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Br)cc(F)c1[O-] ZINC000818351604 742266041 /nfs/dbraw/zinc/26/60/41/742266041.db2.gz VEWGMXBYYRDDIG-SECBINFHSA-N 0 0 368.268 2.769 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccn(C(F)F)n3)C2)cc1 ZINC000819585311 742410914 /nfs/dbraw/zinc/41/09/14/742410914.db2.gz DAOLNPSGVLHAPJ-LBPRGKRZSA-N 0 0 350.369 2.543 20 10 FFCDRN CCc1csc(CC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000819587653 742411390 /nfs/dbraw/zinc/41/13/90/742411390.db2.gz GGIHRVOPVZMFAO-CQSZACIVSA-N 0 0 359.495 2.899 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)c3ccsc3)C2)cc1 ZINC000819886681 742439604 /nfs/dbraw/zinc/43/96/04/742439604.db2.gz ALRFGTFLCGRVSH-CYBMUJFWSA-N 0 0 352.481 2.562 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Cn2nc(C(F)F)cc2C2CC2)c1 ZINC000821064456 742582738 /nfs/dbraw/zinc/58/27/38/742582738.db2.gz AMXKIIUNBJIGGK-UHFFFAOYSA-N 0 0 351.353 2.729 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@]3(C)CCNC3=O)cc2Cl)C1 ZINC000822703323 742772328 /nfs/dbraw/zinc/77/23/28/742772328.db2.gz LGQCSXLCYMVMBE-ORAYPTAESA-N 0 0 363.889 2.719 20 10 FFCDRN O=C(NCCCSc1nccs1)c1ccnn1CC(F)(F)F ZINC000823298294 742876799 /nfs/dbraw/zinc/87/67/99/742876799.db2.gz PLYARVKZAKOACZ-UHFFFAOYSA-N 0 0 350.391 2.814 20 10 FFCDRN C[C@@H]1SCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@H]1C ZINC000823554466 742935653 /nfs/dbraw/zinc/93/56/53/742935653.db2.gz UFOTVEXAUVQPIY-GJZGRUSLSA-N 0 0 363.527 2.683 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(C(F)F)ncn2)cc1 ZINC000823947758 743002099 /nfs/dbraw/zinc/00/20/99/743002099.db2.gz BSWJUUFZZCKSOO-UHFFFAOYSA-N 0 0 350.369 2.631 20 10 FFCDRN CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000824738602 743139688 /nfs/dbraw/zinc/13/96/88/743139688.db2.gz OPMDUOXJHNMQTE-UHFFFAOYSA-N 0 0 372.849 2.725 20 10 FFCDRN COc1cc(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000824817679 743155009 /nfs/dbraw/zinc/15/50/09/743155009.db2.gz CWBJBEXCDAGCDG-OLZOCXBDSA-N 0 0 357.516 2.952 20 10 FFCDRN O=C(N1C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C[C@H]2C1)C(F)(F)F ZINC000824829756 743158379 /nfs/dbraw/zinc/15/83/79/743158379.db2.gz QYBZNGHIDHHIIL-JQWIXIFHSA-N 0 0 362.779 2.888 20 10 FFCDRN Cc1nsc(N2CCN(Cc3ccc(Br)cc3O)CC2)n1 ZINC000824864034 743167280 /nfs/dbraw/zinc/16/72/80/743167280.db2.gz ZKQPKZXIDVOEGS-UHFFFAOYSA-N 0 0 369.288 2.637 20 10 FFCDRN COc1ccc(F)cc1CNc1cc(CNS(C)(=O)=O)ccc1OC ZINC000824936231 743182090 /nfs/dbraw/zinc/18/20/90/743182090.db2.gz VGNADILKPMJKFN-UHFFFAOYSA-N 0 0 368.430 2.504 20 10 FFCDRN Cn1nccc1[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000825045613 743200178 /nfs/dbraw/zinc/20/01/78/743200178.db2.gz IBJNMEQJLWDUKA-WFASDCNBSA-N 0 0 366.259 2.898 20 10 FFCDRN C[C@H](Oc1ccccn1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000825306013 743245716 /nfs/dbraw/zinc/24/57/16/743245716.db2.gz XOIGZVRWCYWIQH-HNNXBMFYSA-N 0 0 357.479 2.719 20 10 FFCDRN CC[C@H]1CN(Cc2ccc(Br)cc2O)C[C@]2(CCOC2)O1 ZINC000825748427 743321893 /nfs/dbraw/zinc/32/18/93/743321893.db2.gz AJSZJYBUBLNYGA-HOCLYGCPSA-N 0 0 356.260 2.925 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1SC ZINC000826020322 743357295 /nfs/dbraw/zinc/35/72/95/743357295.db2.gz RGLNYMYDDLUUJW-BMFZPTHFSA-N 0 0 355.479 2.600 20 10 FFCDRN CN(C)c1ccc(CN2CC[C@H](N3CCOC3=O)C2)c(C(F)(F)F)c1 ZINC000827000636 743486784 /nfs/dbraw/zinc/48/67/84/743486784.db2.gz MXKSCBRVYXXFGC-AWEZNQCLSA-N 0 0 357.376 2.798 20 10 FFCDRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000827317284 743553454 /nfs/dbraw/zinc/55/34/54/743553454.db2.gz 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COCCN(CC(F)F)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840479405 747103883 /nfs/dbraw/zinc/10/38/83/747103883.db2.gz OZFMAAGIROISRC-CQSZACIVSA-N 0 0 357.445 2.915 20 10 FFCDRN CC[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1ccc(F)cc1[O-] ZINC000840799810 747186879 /nfs/dbraw/zinc/18/68/79/747186879.db2.gz WQCHPHZGRRRNKH-WBVHZDCISA-N 0 0 353.434 2.988 20 10 FFCDRN OCc1nnc(NCc2ccc(N3CCCCC3)c(Br)c2)o1 ZINC000840883122 747211977 /nfs/dbraw/zinc/21/19/77/747211977.db2.gz RUEHYDDMGJZLAB-UHFFFAOYSA-N 0 0 367.247 2.927 20 10 FFCDRN Cc1cc(N(C)C)ccc1CN1CCN(C(=O)c2cscn2)[C@@H](C)C1 ZINC000840952695 747240654 /nfs/dbraw/zinc/24/06/54/747240654.db2.gz GIBBQTOKSJKKEX-HNNXBMFYSA-N 0 0 358.511 2.864 20 10 FFCDRN CCOc1ccc(O)c(CNc2ccc(OC)c(S(C)(=O)=O)c2)c1 ZINC000840972859 747246810 /nfs/dbraw/zinc/24/68/10/747246810.db2.gz WHODEVWHNXSUKE-UHFFFAOYSA-N 0 0 351.424 2.815 20 10 FFCDRN CCOc1ccc(CNc2ccc(OC)c(S(C)(=O)=O)c2)c(O)c1 ZINC000840973137 747247808 /nfs/dbraw/zinc/24/78/08/747247808.db2.gz YZBJKSXDWNFCHM-UHFFFAOYSA-N 0 0 351.424 2.815 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1SCCCS1 ZINC000841256756 747309390 /nfs/dbraw/zinc/30/93/90/747309390.db2.gz DOSYWJZAZBWQDF-UHFFFAOYSA-N 0 0 374.478 2.614 20 10 FFCDRN CC(C)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(O)CCOCC1 ZINC000841891235 747482299 /nfs/dbraw/zinc/48/22/99/747482299.db2.gz WGUFCVMNIVWBOE-UHFFFAOYSA-N 0 0 358.822 2.611 20 10 FFCDRN CO[C@H](C)C(N)=NOCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000842035643 747505946 /nfs/dbraw/zinc/50/59/46/747505946.db2.gz DSIHQNOWZYGDCD-GFCCVEGCSA-N 0 0 364.833 2.859 20 10 FFCDRN CC[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H](C)O ZINC000842229379 747552193 /nfs/dbraw/zinc/55/21/93/747552193.db2.gz IGQDZOZVSVFCHS-WBMJQRKESA-N 0 0 356.413 2.780 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1(CF)CCOCC1 ZINC000842253735 747557187 /nfs/dbraw/zinc/55/71/87/747557187.db2.gz BQOMDQQVYMUFQZ-UHFFFAOYSA-N 0 0 370.808 2.576 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C2)cc1 ZINC000842874135 747710988 /nfs/dbraw/zinc/71/09/88/747710988.db2.gz KQLJUCCVJWLMSF-AWEZNQCLSA-N 0 0 350.415 2.900 20 10 FFCDRN Cc1cc(C(=O)NCC[C@H](C)O)c(C)n1-c1ccc(Br)cn1 ZINC000843802708 747898091 /nfs/dbraw/zinc/89/80/91/747898091.db2.gz LSTCCTHOBQCVMQ-NSHDSACASA-N 0 0 366.259 2.752 20 10 FFCDRN Cc1cc(C(=O)N(C)C[C@H](C)O)c(C)n1-c1ccc(Br)cn1 ZINC000843812611 747901328 /nfs/dbraw/zinc/90/13/28/747901328.db2.gz BLPODASTOVYZCA-NSHDSACASA-N 0 0 366.259 2.704 20 10 FFCDRN CO[C@H](CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000844352092 748010394 /nfs/dbraw/zinc/01/03/94/748010394.db2.gz SLFNEHYMAQWJHE-SWLSCSKDSA-N 0 0 360.376 2.668 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2nc(CC(F)(F)F)no2)cc1 ZINC000844401373 748022059 /nfs/dbraw/zinc/02/20/59/748022059.db2.gz MRCLXQZMJAMYLS-UHFFFAOYSA-N 0 0 358.364 2.751 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000844544037 748049670 /nfs/dbraw/zinc/04/96/70/748049670.db2.gz MWBXGGTVCSSRPC-AWEZNQCLSA-N 0 0 350.806 2.743 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cn2ccc(Br)n2)cc1 ZINC000844725503 748084629 /nfs/dbraw/zinc/08/46/29/748084629.db2.gz KXPMQJSNSBTRNO-UHFFFAOYSA-N 0 0 353.264 2.680 20 10 FFCDRN CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845083790 748175661 /nfs/dbraw/zinc/17/56/61/748175661.db2.gz VHXIUCQWWLKPMJ-UHFFFAOYSA-N 0 0 369.849 2.712 20 10 FFCDRN Cc1ncc2n1C[C@@H](C(=O)NCc1cccc(Br)c1O)CC2 ZINC000846016535 748383374 /nfs/dbraw/zinc/38/33/74/748383374.db2.gz VLQCZXNNLIMJNP-LBPRGKRZSA-N 0 0 364.243 2.538 20 10 FFCDRN CCOc1ccc(O)c(CN[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c1 ZINC000846110685 748409046 /nfs/dbraw/zinc/40/90/46/748409046.db2.gz YYDRUPKGZVVXEZ-YEWWUXTCSA-N 0 0 351.443 2.627 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)n(C(C)(C)C)n1 ZINC000846122255 748411800 /nfs/dbraw/zinc/41/18/00/748411800.db2.gz SVSAURWAKHJWTL-UHFFFAOYSA-N 0 0 364.833 2.560 20 10 FFCDRN CO[C@H](CC(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000846139829 748414689 /nfs/dbraw/zinc/41/46/89/748414689.db2.gz VBPAFTCFWLUCNZ-SNVBAGLBSA-N 0 0 356.138 2.738 20 10 FFCDRN CCN1C[C@@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1=O ZINC000846207533 748430586 /nfs/dbraw/zinc/43/05/86/748430586.db2.gz CSLJUXKDHMNSKN-NXEZZACHSA-N 0 0 359.239 2.813 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000846471918 748486835 /nfs/dbraw/zinc/48/68/35/748486835.db2.gz DNTSFOWBRGUHFW-CYBMUJFWSA-N 0 0 350.846 2.843 20 10 FFCDRN COc1ccc(Cl)c(N2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1 ZINC000846687008 748524051 /nfs/dbraw/zinc/52/40/51/748524051.db2.gz NJQIQPYJBSHNOU-UHFFFAOYSA-N 0 0 359.857 2.822 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl)c1ccc(N(C)C)cc1 ZINC000846732172 748533388 /nfs/dbraw/zinc/53/33/88/748533388.db2.gz GQKBXCWLMFMSIP-UYHISHBKSA-N 0 0 369.868 2.751 20 10 FFCDRN C/C(=C/c1cccnc1)C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 ZINC000846816530 748550328 /nfs/dbraw/zinc/55/03/28/748550328.db2.gz IRCKYWSDCYEZIP-KAMYIIQDSA-N 0 0 356.447 2.868 20 10 FFCDRN C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1cc(Br)ccc1O ZINC000848556861 748960041 /nfs/dbraw/zinc/96/00/41/748960041.db2.gz FICKLCKDIVLPEB-RNCFNFMXSA-N 0 0 367.247 2.975 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)c(F)cc1[O-] ZINC000848571695 748963490 /nfs/dbraw/zinc/96/34/90/748963490.db2.gz RFYSTZQZYLWELP-WCBMZHEXSA-N 0 0 373.222 2.928 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000849372573 749117159 /nfs/dbraw/zinc/11/71/59/749117159.db2.gz QRIFGBSYJXWVJA-QGZVFWFLSA-N 0 0 358.479 2.516 20 10 FFCDRN CO[C@@H](CS(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C)[C@H]1CCOC1 ZINC000849399506 749133168 /nfs/dbraw/zinc/13/31/68/749133168.db2.gz KQXYFFWRYONUJP-KSSFIOAISA-N 0 0 367.467 2.555 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3cc(C)c(C)s3)C2)cc1 ZINC000849415559 749142136 /nfs/dbraw/zinc/14/21/36/749142136.db2.gz BUIXJXFIVALNBA-AWEZNQCLSA-N 0 0 366.508 2.931 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3sc(C)cc3C)C2)cc1 ZINC000849416684 749143515 /nfs/dbraw/zinc/14/35/15/749143515.db2.gz CMKZTYBYUHHYDW-AWEZNQCLSA-N 0 0 366.508 2.931 20 10 FFCDRN CC(C)[C@H](Sc1ncc(Cl)s1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000849999111 749280110 /nfs/dbraw/zinc/28/01/10/749280110.db2.gz NZAYTDQHUVCQOP-ONGXEEELSA-N 0 0 361.920 2.637 20 10 FFCDRN CCn1cc(CN[C@@H](C)c2cc(Br)cc(OC)c2O)nn1 ZINC000850522530 749382332 /nfs/dbraw/zinc/38/23/32/749382332.db2.gz SXRKZBBDYWTCBJ-VIFPVBQESA-N 0 0 355.236 2.626 20 10 FFCDRN CN(Cc1coc(S(N)(=O)=O)c1)Cc1ccc(N2CCCCC2)cc1 ZINC000851716945 749650282 /nfs/dbraw/zinc/65/02/82/749650282.db2.gz RJLKXJOHBIRLAW-UHFFFAOYSA-N 0 0 363.483 2.549 20 10 FFCDRN CCc1nc(S(=O)(=O)NCc2cc(Cl)ccc2O)cn1CC1CC1 ZINC000851801009 749679664 /nfs/dbraw/zinc/67/96/64/749679664.db2.gz YANSCPDEDIMNPK-UHFFFAOYSA-N 0 0 369.874 2.693 20 10 FFCDRN CCN(Cc1ccc(S(=O)(=O)NC)cc1)c1ccc(OC)c(OC)c1 ZINC000851829675 749692632 /nfs/dbraw/zinc/69/26/32/749692632.db2.gz ZSICWYTXUQSBTQ-UHFFFAOYSA-N 0 0 364.467 2.638 20 10 FFCDRN CC(C)(C)SCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852048115 749761413 /nfs/dbraw/zinc/76/14/13/749761413.db2.gz PWIIDOVYSGOKDB-UHFFFAOYSA-N 0 0 365.543 2.979 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1 ZINC000852572935 749893394 /nfs/dbraw/zinc/89/33/94/749893394.db2.gz BQOILKAEQGIENV-WBVHZDCISA-N 0 0 353.413 2.708 20 10 FFCDRN CCOC(=O)[C@@]1(C)CCC[C@@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000852694367 749927521 /nfs/dbraw/zinc/92/75/21/749927521.db2.gz ROTNFGMFVAACDD-YOEHRIQHSA-N 0 0 354.834 2.967 20 10 FFCDRN CC1(C)OCC[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000853089306 750006157 /nfs/dbraw/zinc/00/61/57/750006157.db2.gz NOXJNHOEFQLQBN-LBPRGKRZSA-N 0 0 352.818 2.625 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N(C)CC3=CCSC3)CC2)cc1 ZINC000853643703 750124822 /nfs/dbraw/zinc/12/48/22/750124822.db2.gz LPAPWFURIRNNBW-UHFFFAOYSA-N 0 0 361.511 2.979 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)C(O)[C@@H](C)C2)cc1F ZINC000853706663 750139985 /nfs/dbraw/zinc/13/99/85/750139985.db2.gz NKACBDXPECWQNV-KBPBESRZSA-N 0 0 351.466 2.830 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC000854653439 750345708 /nfs/dbraw/zinc/34/57/08/750345708.db2.gz MLDNBJINOQEVRW-DIECRNLCSA-N 0 0 358.360 2.502 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3ccncc3Cl)C2)cc1 ZINC000854981023 750403910 /nfs/dbraw/zinc/40/39/10/750403910.db2.gz KNEBMMXJBQGSND-AWEZNQCLSA-N 0 0 359.857 2.929 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc(Cl)nc3N)C2)cc1 ZINC000854981377 750404556 /nfs/dbraw/zinc/40/45/56/750404556.db2.gz PZJHDEOZUAFSEM-GFCCVEGCSA-N 0 0 360.845 2.582 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H](C)c1nc(C)cs1 ZINC000854987956 750406036 /nfs/dbraw/zinc/40/60/36/750406036.db2.gz NEZWAWPKOZLZKI-ZDUSSCGKSA-N 0 0 362.451 2.853 20 10 FFCDRN COc1ccc(CCNC(=O)[C@@H](C)Sc2nccs2)cc1OC ZINC000052914400 845265187 /nfs/dbraw/zinc/26/51/87/845265187.db2.gz SGMDBBCAZRLSBY-LLVKDONJSA-N 0 0 352.481 3.000 20 10 FFCDRN CN1CCCc2cc(CNC(=O)C(=O)Nc3ccccc3Cl)ccc21 ZINC000057738899 845378893 /nfs/dbraw/zinc/37/88/93/845378893.db2.gz YMFOZFUESDRRPR-UHFFFAOYSA-N 0 0 357.841 2.977 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2F)cc1F ZINC000057732343 845379233 /nfs/dbraw/zinc/37/92/33/845379233.db2.gz OSUDCUHFPWDDGL-UHFFFAOYSA-N 0 0 367.783 2.939 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2c(C)noc2C)cc1F ZINC000066902830 845485474 /nfs/dbraw/zinc/48/54/74/845485474.db2.gz GKGYNZANWIMLGO-UHFFFAOYSA-N 0 0 355.435 2.755 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(F)cc1[O-] ZINC000397412197 845867528 /nfs/dbraw/zinc/86/75/28/845867528.db2.gz VEEYRJOZMGFIFV-GXTWGEPZSA-N 0 0 354.422 2.818 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@H](c3ccn(C)n3)C2)c([N+](=O)[O-])c1 ZINC000895630694 970800670 /nfs/dbraw/zinc/80/06/70/970800670.db2.gz BUNJMNPLVCBJHL-VFADXPBXSA-N 0 0 370.409 2.899 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1nc(C2CC2)no1 ZINC000840263567 970887808 /nfs/dbraw/zinc/88/78/08/970887808.db2.gz JMAGVGDXLGZQRS-ZDUSSCGKSA-N 0 0 357.458 2.752 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ncccn2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000895767007 970914711 /nfs/dbraw/zinc/91/47/11/970914711.db2.gz XSYBPNOPKXZHAH-LBPRGKRZSA-N 0 0 370.434 2.501 20 10 FFCDRN Cc1cnc(F)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000895786977 970950081 /nfs/dbraw/zinc/95/00/81/970950081.db2.gz ICODVTLLYJUHPH-UHFFFAOYSA-N 0 0 361.392 2.559 20 10 FFCDRN COc1ncc(N(c2ccc(N)cc2)S(=O)(=O)c2ccc(C)cc2)cn1 ZINC001174033336 1013057837 /nfs/dbraw/zinc/05/78/37/1013057837.db2.gz BXXAUFVQLKFUOM-UHFFFAOYSA-N 0 0 370.434 2.903 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821110194 945636112 /nfs/dbraw/zinc/63/61/12/945636112.db2.gz XRVGIXNMCXKEGG-UHFFFAOYSA-N 0 0 372.816 2.673 20 10 FFCDRN COc1cccc(CNC(=O)CCC(=O)N[C@@H](C)c2ccccc2)c1O ZINC000896117536 971243963 /nfs/dbraw/zinc/24/39/63/971243963.db2.gz QTNUGXKMEXDYIA-AWEZNQCLSA-N 0 0 356.422 2.675 20 10 FFCDRN CCc1ccccc1-n1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nn1 ZINC000840414712 971270384 /nfs/dbraw/zinc/27/03/84/971270384.db2.gz BPTBWYZZYVLBIX-CYBMUJFWSA-N 0 0 366.421 2.602 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCC(O)(C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000896327373 971434634 /nfs/dbraw/zinc/43/46/34/971434634.db2.gz ZOMJOVGUVOUVRW-VURMDHGXSA-N 0 0 360.410 2.912 20 10 FFCDRN C[C@H](C[S@@](C)=O)N(C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888588179 1013089980 /nfs/dbraw/zinc/08/99/80/1013089980.db2.gz WHGPHEYAFOMORZ-ZBSNKRKSSA-N 0 0 371.466 2.627 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc(N3CCCC3=O)ccc2F)c1O ZINC000729559054 971579995 /nfs/dbraw/zinc/57/99/95/971579995.db2.gz LVFHZYYQYIBTTA-UHFFFAOYSA-N 0 0 373.384 2.988 20 10 FFCDRN C[C@H](NC(=O)CCCN1C(=O)c2ccccc2C1=O)c1ccccc1O ZINC000827984885 971613748 /nfs/dbraw/zinc/61/37/48/971613748.db2.gz GFDIQLCZXVMHJS-ZDUSSCGKSA-N 0 0 352.390 2.646 20 10 FFCDRN Cc1cccc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000123457124 971717658 /nfs/dbraw/zinc/71/76/58/971717658.db2.gz ZEPZLRYNVXQWHK-MRXNPFEDSA-N 0 0 354.454 2.787 20 10 FFCDRN CNC(=O)C(C)(C)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000162731061 971862747 /nfs/dbraw/zinc/86/27/47/971862747.db2.gz AAHSUOXYBMFJPH-UHFFFAOYSA-N 0 0 357.454 2.605 20 10 FFCDRN CSC[C@@](C)(O)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888591906 1013129156 /nfs/dbraw/zinc/12/91/56/1013129156.db2.gz JWKWNFUOUKZGAG-SFHVURJKSA-N 0 0 371.466 2.632 20 10 FFCDRN COc1cc(C[NH2+][C@H](Cc2ccncc2)C(=O)[O-])c(O)c(C(C)(C)C)c1 ZINC001594058368 958062586 /nfs/dbraw/zinc/06/25/86/958062586.db2.gz QUBQYKARUJPNDP-QGZVFWFLSA-N 0 0 358.438 2.879 20 10 FFCDRN O=C(CN1CC[C@@H](c2ccccc2)NC1=O)NCc1cccc(Cl)c1O ZINC000890761340 960323587 /nfs/dbraw/zinc/32/35/87/960323587.db2.gz OWOGPZDIEJRTSY-INIZCTEOSA-N 0 0 373.840 2.818 20 10 FFCDRN CN(c1ccc(N2CCCCC2)nc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001174524204 1013249500 /nfs/dbraw/zinc/24/95/00/1013249500.db2.gz IQNFMOWAOALQIR-UHFFFAOYSA-N 0 0 374.510 2.663 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@]2(CCCN2C(=O)c2cccc(O)c2O)C1 ZINC000891023621 961622621 /nfs/dbraw/zinc/62/26/21/961622621.db2.gz LCFGHWBNXHEFLN-IBGZPJMESA-N 0 0 362.426 2.713 20 10 FFCDRN Cc1cc(C(=O)OCC(=O)N2CCO[C@@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000010553489 1013326207 /nfs/dbraw/zinc/32/62/07/1013326207.db2.gz KHGUMQSEBMOZIG-AWEZNQCLSA-N 0 0 374.412 2.637 20 10 FFCDRN O=C1CO[C@@]2(CC[N@@H+](Cc3c([O-])cccc3F)C2)CN1CC1CCCC1 ZINC001276038350 1013350626 /nfs/dbraw/zinc/35/06/26/1013350626.db2.gz UTWFOABDMCNHRR-HXUWFJFHSA-N 0 0 362.445 2.525 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)[NH+](C)C)cc1 ZINC000891245962 962561388 /nfs/dbraw/zinc/56/13/88/962561388.db2.gz KTEGNNLXOAXSOI-ZCNNSNEGSA-N 0 0 359.514 2.534 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)C(F)(F)C2CCOCC2)[NH+](C)C)cc1 ZINC000891249317 962582074 /nfs/dbraw/zinc/58/20/74/962582074.db2.gz QLYJAFRXJQAKFL-QGZVFWFLSA-N 0 0 369.456 2.533 20 10 FFCDRN COc1ccc(N2CC[NH+](CCCNC(=O)N(C)[C@H](C)C3CC3)CC2)cc1 ZINC000121194040 962635183 /nfs/dbraw/zinc/63/51/83/962635183.db2.gz JXOOSHMMLSLWSX-QGZVFWFLSA-N 0 0 374.529 2.647 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)C[NH+]3CCCCC3)cc2F)C[C@H](C)O1 ZINC000051087020 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CCn1cccc(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)c1=O ZINC000894589913 965496153 /nfs/dbraw/zinc/49/61/53/965496153.db2.gz LOWAPVDNBAQVRR-UHFFFAOYSA-N 0 0 371.412 2.575 20 10 FFCDRN CC(C)[C@@]1(C)C[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894594176 965509164 /nfs/dbraw/zinc/50/91/64/965509164.db2.gz FZMARNROHNAUBX-GHTZIAJQSA-N 0 0 357.498 2.687 20 10 FFCDRN Cc1sccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000873693913 1013596134 /nfs/dbraw/zinc/59/61/34/1013596134.db2.gz WFFRUCGBTQRWHH-ZDUSSCGKSA-N 0 0 373.478 2.709 20 10 FFCDRN NC(=O)c1ccc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)o1 ZINC000176635040 965765927 /nfs/dbraw/zinc/76/59/27/965765927.db2.gz PITRONGTIMOMEO-UHFFFAOYSA-N 0 0 369.377 2.589 20 10 FFCDRN CCCOc1ccc(OCC(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000780375678 966005058 /nfs/dbraw/zinc/00/50/58/966005058.db2.gz YHYANHXRMLHVBV-UHFFFAOYSA-N 0 0 360.362 2.692 20 10 FFCDRN CCOC(=O)c1cnn(C2CC[NH+](Cc3cc(F)cc(F)c3[O-])CC2)c1 ZINC000894877571 966014650 /nfs/dbraw/zinc/01/46/50/966014650.db2.gz 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994645419 /nfs/dbraw/zinc/64/54/19/994645419.db2.gz ZZAUSINKSNTUQN-UHFFFAOYSA-N 0 0 357.458 2.793 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)OCCC(C)C)CC2)c(OC)c1 ZINC001132032470 994686609 /nfs/dbraw/zinc/68/66/09/994686609.db2.gz YOYWYHJYFKBQTF-MRXNPFEDSA-N 0 0 364.486 2.804 20 10 FFCDRN COc1ccc2c(c1)CCCN2CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811758572 995249278 /nfs/dbraw/zinc/24/92/78/995249278.db2.gz VESFMMAUBBVILS-RBUKOAKNSA-N 0 0 356.466 2.965 20 10 FFCDRN C[C@@H](NC(=O)NCCCc1nccs1)c1ccc(N2CCOCC2)cc1 ZINC000811867920 995275232 /nfs/dbraw/zinc/27/52/32/995275232.db2.gz RPCJPLIHMBCLTA-OAHLLOKOSA-N 0 0 374.510 2.973 20 10 FFCDRN CC[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)OC ZINC000811968619 995304116 /nfs/dbraw/zinc/30/41/16/995304116.db2.gz QUKSQDMJDKJUJI-HIFRSBDPSA-N 0 0 371.428 2.981 20 10 FFCDRN CCOCc1nc([C@H](C)NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)no1 ZINC000812199561 995376792 /nfs/dbraw/zinc/37/67/92/995376792.db2.gz BHNUNYCLDKUETA-OLZOCXBDSA-N 0 0 361.446 2.794 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(CC(N)=O)cc1 ZINC000812481339 995450454 /nfs/dbraw/zinc/45/04/54/995450454.db2.gz LIISQBAIWVONAH-UHFFFAOYSA-N 0 0 368.481 2.512 20 10 FFCDRN COc1ccc(CNC(=O)c2ccnc(N3CCC[C@H](C)C3)c2)c(O)c1 ZINC000812561171 995467627 /nfs/dbraw/zinc/46/76/27/995467627.db2.gz FPQWFVFJWQJDEI-AWEZNQCLSA-N 0 0 355.438 2.962 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1 ZINC000888836866 1015980067 /nfs/dbraw/zinc/98/00/67/1015980067.db2.gz MIBFEPFGOIMDCF-RMMWZPCPSA-N 0 0 350.418 2.812 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)OCC(F)(F)F)cc1 ZINC000727784953 995948732 /nfs/dbraw/zinc/94/87/32/995948732.db2.gz IWDIYQHFMVESMZ-CQSZACIVSA-N 0 0 373.375 2.532 20 10 FFCDRN COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(=O)c1ccc(C)c(O)c1O ZINC000803653103 1016032022 /nfs/dbraw/zinc/03/20/22/1016032022.db2.gz LOSLWUXOFZXGNN-XJKSGUPXSA-N 0 0 357.406 2.556 20 10 FFCDRN Cc1cccc([C@@H](C)CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000803664673 1016041809 /nfs/dbraw/zinc/04/18/09/1016041809.db2.gz NGBODYCDMAQTFV-HNNXBMFYSA-N 0 0 371.456 2.736 20 10 FFCDRN COC[C@@]1(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CCOC1 ZINC000824134265 996798112 /nfs/dbraw/zinc/79/81/12/996798112.db2.gz GOXBWSKXIZNCOD-NRFANRHFSA-N 0 0 356.466 2.806 20 10 FFCDRN Nc1ccc(OCc2cn(CC(=O)Nc3ccc4c(c3)CCC4)nn2)cc1 ZINC000880999109 1016068964 /nfs/dbraw/zinc/06/89/64/1016068964.db2.gz HCCHOMGAGRWNDS-UHFFFAOYSA-N 0 0 363.421 2.567 20 10 FFCDRN C[C@H](NC(=O)Nc1ccc2c(c1)CCNC2=O)c1ccc(N(C)C)cc1 ZINC000824316754 996884938 /nfs/dbraw/zinc/88/49/38/996884938.db2.gz PEMMKQQERBUDJL-ZDUSSCGKSA-N 0 0 352.438 2.921 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3ccnc(OC)c3)C2)cc1 ZINC000824337465 996895559 /nfs/dbraw/zinc/89/55/59/996895559.db2.gz JTINXOCOWHBMBL-AWEZNQCLSA-N 0 0 356.426 2.747 20 10 FFCDRN C[C@H](C(=O)N1CCc2ccccc21)n1cc(COc2ccc(N)cc2)nn1 ZINC000881017254 1016082239 /nfs/dbraw/zinc/08/22/39/1016082239.db2.gz NJCAHBBUAUIAIC-CQSZACIVSA-N 0 0 363.421 2.590 20 10 FFCDRN COc1cccc(CNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)c1O ZINC000730282388 997040579 /nfs/dbraw/zinc/04/05/79/997040579.db2.gz JRUUCNZJKDVHDD-UHFFFAOYSA-N 0 0 370.405 2.587 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)C2)cc1 ZINC000824685895 997052292 /nfs/dbraw/zinc/05/22/92/997052292.db2.gz IRPRRFBVFTWHNS-QGZVFWFLSA-N 0 0 362.518 2.503 20 10 FFCDRN CCC[C@@H](CCO)CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824694573 997057518 /nfs/dbraw/zinc/05/75/18/997057518.db2.gz RYWHXZPLKGFICE-IRXDYDNUSA-N 0 0 363.502 2.619 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCC3(O)CCCCC3)C2)cc1 ZINC000824695506 997059095 /nfs/dbraw/zinc/05/90/95/997059095.db2.gz YPPSBFRMUBZIFP-MRXNPFEDSA-N 0 0 361.486 2.516 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CC[C@H](C(F)(F)F)O3)C2)cc1 ZINC000824728539 997074037 /nfs/dbraw/zinc/07/40/37/997074037.db2.gz ORXHFUHNEYRQKQ-VBNZEHGJSA-N 0 0 372.387 2.890 20 10 FFCDRN CCn1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c1 ZINC000824777771 997084285 /nfs/dbraw/zinc/08/42/85/997084285.db2.gz PCYWDLXUSMBYEX-SFHVURJKSA-N 0 0 356.470 2.790 20 10 FFCDRN CNC(=O)N(C)c1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000881061492 1016108548 /nfs/dbraw/zinc/10/85/48/1016108548.db2.gz OKVREYBVHXLSKE-UHFFFAOYSA-N 0 0 373.432 2.989 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Cn3cc(C4CC4)cn3)CC2)cc1 ZINC000825425688 997373582 /nfs/dbraw/zinc/37/35/82/997373582.db2.gz HGFZAHFKGCPQKJ-UHFFFAOYSA-N 0 0 354.454 2.554 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1N1CCOCC1 ZINC000843519881 997421546 /nfs/dbraw/zinc/42/15/46/997421546.db2.gz GNZNPCCPZCRYEF-UHFFFAOYSA-N 0 0 353.466 2.828 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cc1nc(C2CC2)nn1C ZINC000843528299 997430146 /nfs/dbraw/zinc/43/01/46/997430146.db2.gz WEXOHTQXBDUBAA-UHFFFAOYSA-N 0 0 355.486 2.738 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)c2nnc3n2CCC3)cc1 ZINC000730935662 997571182 /nfs/dbraw/zinc/57/11/82/997571182.db2.gz FPBGMEGITRXBBC-OAHLLOKOSA-N 0 0 370.501 2.973 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H](C)c2nnc3n2CCC3)cc1 ZINC000730935660 997571595 /nfs/dbraw/zinc/57/15/95/997571595.db2.gz FPBGMEGITRXBBC-HNNXBMFYSA-N 0 0 370.501 2.973 20 10 FFCDRN COc1ccc([C@H]([NH2+]Cc2ccc(N(C)C)c(C)c2)C(=O)[O-])c(OC)c1 ZINC001599531209 997656539 /nfs/dbraw/zinc/65/65/39/997656539.db2.gz IFCGQCRYURWLMX-IBGZPJMESA-N 0 0 358.438 2.994 20 10 FFCDRN COC1(C[C@@H]2NC(=O)N(Cc3ccc(N4CCCC4)cc3)C2=O)CCC1 ZINC000844720572 998093114 /nfs/dbraw/zinc/09/31/14/998093114.db2.gz VGLBUIYFAPMQTO-KRWDZBQOSA-N 0 0 357.454 2.666 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc3nccnc32)cc1 ZINC000844856637 998168781 /nfs/dbraw/zinc/16/87/81/998168781.db2.gz RNRZDHQEUFAVBF-UHFFFAOYSA-N 0 0 350.422 2.847 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C2CCN(CC(F)F)CC2)cc1 ZINC000844856185 998171270 /nfs/dbraw/zinc/17/12/70/998171270.db2.gz FNWLGMSNJWKVEX-UHFFFAOYSA-N 0 0 369.456 2.567 20 10 FFCDRN CCC[C@H](C)[C@H](CO)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000844928683 998235222 /nfs/dbraw/zinc/23/52/22/998235222.db2.gz YSHYENUKKYIXJW-FCEWJHQRSA-N 0 0 363.502 2.681 20 10 FFCDRN COc1ccc(C[NH2+][C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c(O)c1OC ZINC001599572902 998393879 /nfs/dbraw/zinc/39/38/79/998393879.db2.gz WMZQKYPIQWSHDQ-HNNXBMFYSA-N 0 0 371.389 2.941 20 10 FFCDRN O=C(CNC(=O)OCC(F)(F)F)NCc1ccc(N2CCCCC2)cc1 ZINC000732064563 998435731 /nfs/dbraw/zinc/43/57/31/998435731.db2.gz TXFPICMDISWETD-UHFFFAOYSA-N 0 0 373.375 2.582 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3[C@H](C)C(=O)N[C@H](C)[C@H]3C)ccc21 ZINC001144384871 998445525 /nfs/dbraw/zinc/44/55/25/998445525.db2.gz LZCWMCVJVVGSBU-FVQBIDKESA-N 0 0 371.481 2.642 20 10 FFCDRN Cn1cnc2cc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)ccc21 ZINC000772920345 998446913 /nfs/dbraw/zinc/44/69/13/998446913.db2.gz VJWQGECEJQLRCZ-UHFFFAOYSA-N 0 0 370.478 2.652 20 10 FFCDRN C[C@H]1CCCc2ncc(C(=O)NCc3ccc(N4CCOCC4)cc3)n21 ZINC000845270532 998457920 /nfs/dbraw/zinc/45/79/20/998457920.db2.gz VLUNNNZPGJXWFC-HNNXBMFYSA-N 0 0 354.454 2.547 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc2c1OCCCO2 ZINC000845270698 998458075 /nfs/dbraw/zinc/45/80/75/998458075.db2.gz XHOZGRFTKANMJN-UHFFFAOYSA-N 0 0 368.433 2.615 20 10 FFCDRN CN(C)C(=O)c1ccnc(NCc2cc(Br)ccc2O)c1 ZINC001171174263 998468223 /nfs/dbraw/zinc/46/82/23/998468223.db2.gz OPUZCSNDMNCXSR-UHFFFAOYSA-N 0 0 350.216 2.864 20 10 FFCDRN COCC1CCC(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)CC1 ZINC000845260637 998476061 /nfs/dbraw/zinc/47/60/61/998476061.db2.gz BJFZPMPPGXYXOD-UHFFFAOYSA-N 0 0 363.502 2.978 20 10 FFCDRN Nc1nc2c(NCc3cc(Br)ccc3O)cc(F)cn2n1 ZINC001171177904 998506580 /nfs/dbraw/zinc/50/65/80/998506580.db2.gz MRYPVEJJBHBDQX-UHFFFAOYSA-N 0 0 352.167 2.531 20 10 FFCDRN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000732243722 998552124 /nfs/dbraw/zinc/55/21/24/998552124.db2.gz SQJCHDRLGZUISD-FRQCXROJSA-N 0 0 361.486 2.793 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N1CCc2ccccc2C1 ZINC000732279208 998575377 /nfs/dbraw/zinc/57/53/77/998575377.db2.gz KQBQSFDKERRQSQ-HNNXBMFYSA-N 0 0 355.457 2.955 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000826952603 1016250057 /nfs/dbraw/zinc/25/00/57/1016250057.db2.gz ZVRSCRJHGVPBLV-JKIFEVAISA-N 0 0 365.424 2.789 20 10 FFCDRN CC(C)(C)OC(=O)N1CCCC[C@@H](NC(=O)NCc2ccccc2O)C1 ZINC000733644411 999036391 /nfs/dbraw/zinc/03/63/91/999036391.db2.gz CSANGVGIKUSXTE-OAHLLOKOSA-N 0 0 363.458 2.981 20 10 FFCDRN COc1ncc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC000733949609 999158240 /nfs/dbraw/zinc/15/82/40/999158240.db2.gz BYROLQOYKVCKRO-UHFFFAOYSA-N 0 0 350.422 2.865 20 10 FFCDRN C[C@H](C(=O)N(CC(=O)[O-])Cc1cc(Cl)ccc1O)[NH+]1[C@H](C)CC[C@H]1C ZINC001594300723 999161391 /nfs/dbraw/zinc/16/13/91/999161391.db2.gz WHMCQAPWKBAUCH-JHJVBQTASA-N 0 0 368.861 2.720 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c1 ZINC000734016425 999174137 /nfs/dbraw/zinc/17/41/37/999174137.db2.gz PYRZYCFFARXBQQ-AWEZNQCLSA-N 0 0 372.396 2.518 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C[C@H](c2ccccc2)N2CCOC2=O)c1 ZINC000734019122 999175705 /nfs/dbraw/zinc/17/57/05/999175705.db2.gz YCWCSSPFVZAIJL-QGZVFWFLSA-N 0 0 370.405 2.601 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NC[C@@](C)(O)c3ccccc3)ccc21 ZINC000734067771 999188751 /nfs/dbraw/zinc/18/87/51/999188751.db2.gz RFQYTPDXWMPHIH-OAQYLSRUSA-N 0 0 353.466 2.776 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(C(=O)NCC(C)C)CC1 ZINC000734688282 999311867 /nfs/dbraw/zinc/31/18/67/999311867.db2.gz KKOKVADQQZLQAA-UHFFFAOYSA-N 0 0 374.529 2.755 20 10 FFCDRN COc1cccc(CNC(=O)c2cc3cc(OC)c(OC)cc3[nH]2)c1O ZINC000735686685 999474191 /nfs/dbraw/zinc/47/41/91/999474191.db2.gz XIXOQISLPIGGHR-UHFFFAOYSA-N 0 0 356.378 2.829 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2ccn(Cc3ccccn3)n2)cc1F ZINC000735884726 999508941 /nfs/dbraw/zinc/50/89/41/999508941.db2.gz FSBQQZTXTGCQHK-UHFFFAOYSA-N 0 0 368.416 2.853 20 10 FFCDRN Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000736726637 999566709 /nfs/dbraw/zinc/56/67/09/999566709.db2.gz LDBCVYLSHFIBCL-AWEZNQCLSA-N 0 0 374.462 2.514 20 10 FFCDRN 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/nfs/dbraw/zinc/67/79/10/999677910.db2.gz DAJXTWFRSXQBOT-GFCCVEGCSA-N 0 0 356.378 2.593 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1COc2ccccc2O1 ZINC000740678837 999680390 /nfs/dbraw/zinc/68/03/90/999680390.db2.gz HCMPNCFAURYDNL-SFHVURJKSA-N 0 0 365.433 2.702 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c[nH]c2ncccc12 ZINC000741276775 999716587 /nfs/dbraw/zinc/71/65/87/999716587.db2.gz AQBMQHAXKRENDK-UHFFFAOYSA-N 0 0 368.412 2.593 20 10 FFCDRN Cc1nn(C)c(C)c1C(=O)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742475887 999775100 /nfs/dbraw/zinc/77/51/00/999775100.db2.gz DJRGRSIGXMRVNH-UHFFFAOYSA-N 0 0 354.454 2.526 20 10 FFCDRN COc1ccc(N2CCN(CN3C(=O)[C@H](C)[C@@H]3c3ccccc3)CC2)cc1 ZINC000743347467 999815645 /nfs/dbraw/zinc/81/56/45/999815645.db2.gz QEYNHIPYGQVOMI-DYESRHJHSA-N 0 0 365.477 2.994 20 10 FFCDRN COc1ccc(N(C)CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)c(OC)c1 ZINC000752123022 999858215 /nfs/dbraw/zinc/85/82/15/999858215.db2.gz PAUWILZVLADKEN-DZGCQCFKSA-N 0 0 363.458 2.545 20 10 FFCDRN 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FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3sc(N(C)C)nc3C)C2)cc1 ZINC001118718502 1022364813 /nfs/dbraw/zinc/36/48/13/1022364813.db2.gz FFUPHPOBVFKJNH-ZDUSSCGKSA-N 0 0 360.483 2.535 20 10 FFCDRN Cc1nc(CC[NH2+]Cc2c(O)cccc2Br)sc1C(=O)[O-] ZINC001118977763 1022499884 /nfs/dbraw/zinc/49/98/84/1022499884.db2.gz DJDJIIABLPHJAV-UHFFFAOYSA-N 0 0 371.256 2.950 20 10 FFCDRN Cc1c(NCc2cc(F)cc(F)c2O)cccc1S(=O)(=O)N(C)C ZINC001202797553 1022514722 /nfs/dbraw/zinc/51/47/22/1022514722.db2.gz LWJPUOZOCPCVKN-UHFFFAOYSA-N 0 0 356.394 2.841 20 10 FFCDRN COc1cc(NC(=O)CN(C)Cc2ccc(N(C)C)cc2)cc(OC)c1 ZINC000019540730 1022527726 /nfs/dbraw/zinc/52/77/26/1022527726.db2.gz YHJMPRNLDDLCNI-UHFFFAOYSA-N 0 0 357.454 2.840 20 10 FFCDRN CC(C)(C)O[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000829255074 1033064153 /nfs/dbraw/zinc/06/41/53/1033064153.db2.gz QJKXRMQXTUHWGO-CRAIPNDOSA-N 0 0 364.461 2.607 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC001119145919 1022587678 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Cc1cccc([C@H]([NH2+]Cc2ccc(N3CCN(C)CC3)c(F)c2)C(=O)[O-])c1 ZINC001120370901 1023316244 /nfs/dbraw/zinc/31/62/44/1023316244.db2.gz JFMTXAWUQBBTQF-FQEVSTJZSA-N 0 0 371.456 2.801 20 10 FFCDRN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H](C(N)=O)C1 ZINC000779203768 1023353071 /nfs/dbraw/zinc/35/30/71/1023353071.db2.gz JUEXSYZZFLAIGG-KDOFPFPSSA-N 0 0 360.458 2.671 20 10 FFCDRN CCOC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1cccc(O)c1 ZINC000779203203 1023353971 /nfs/dbraw/zinc/35/39/71/1023353971.db2.gz SMFUJFGYCYEREG-KRWDZBQOSA-N 0 0 361.369 2.834 20 10 FFCDRN Cc1ccc(C[C@H](CO)NC(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000189960318 1023376138 /nfs/dbraw/zinc/37/61/38/1023376138.db2.gz PJVOBGMBDVFCOB-HXUWFJFHSA-N 0 0 367.493 2.780 20 10 FFCDRN COc1ccc(N2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)cc1F ZINC000753857729 1023390521 /nfs/dbraw/zinc/39/05/21/1023390521.db2.gz PQJCAVDRGNGXBI-IBGZPJMESA-N 0 0 369.440 2.762 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000753947266 1023404908 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Cc1cccc(CNc2ncccc2S(=O)(=O)N2CCCCC2)c1O ZINC001160770431 1027874932 /nfs/dbraw/zinc/87/49/32/1027874932.db2.gz WIKZPRRYTHPEEJ-UHFFFAOYSA-N 0 0 361.467 2.882 20 10 FFCDRN COc1ccc2cc(C(=O)NCCc3cc(O)c(O)cc3O)sc2c1 ZINC001153937371 1028076668 /nfs/dbraw/zinc/07/66/68/1028076668.db2.gz ZWFZSNQOEYQEJQ-UHFFFAOYSA-N 0 0 359.403 2.999 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)cc1 ZINC000249397703 1028115769 /nfs/dbraw/zinc/11/57/69/1028115769.db2.gz AVNYDIIBIOYPCH-ROUUACIJSA-N 0 0 355.482 2.621 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(Cl)ccc1O ZINC001162539655 1028573413 /nfs/dbraw/zinc/57/34/13/1028573413.db2.gz KLKFZNILTMFHFD-UHFFFAOYSA-N 0 0 363.797 2.957 20 10 FFCDRN COc1ccc2c(c1)C[C@H](C(=O)NCc1ccc3cccnc3c1O)CO2 ZINC001162607271 1028593841 /nfs/dbraw/zinc/59/38/41/1028593841.db2.gz MAFNFMSTLIQDCC-INIZCTEOSA-N 0 0 364.401 2.817 20 10 FFCDRN O=C(Nc1cccc(C(F)(F)F)n1)c1cc2cc(O)c(O)cc2oc1=O ZINC001155221940 1028630288 /nfs/dbraw/zinc/63/02/88/1028630288.db2.gz 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ZINC001155941776 1028985813 /nfs/dbraw/zinc/98/58/13/1028985813.db2.gz YUFOOAJHRZPTPM-UHFFFAOYSA-N 0 0 358.394 2.631 20 10 FFCDRN CC(C)(C)OC(=O)NC1(CC(=O)NCc2c(O)cccc2F)CCC1 ZINC001156170859 1029073698 /nfs/dbraw/zinc/07/36/98/1029073698.db2.gz VGGUGLKEUIIIAS-UHFFFAOYSA-N 0 0 352.406 2.985 20 10 FFCDRN CC[C@H]1C(=O)NCCCN1C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001156504769 1029222359 /nfs/dbraw/zinc/22/23/59/1029222359.db2.gz RNMQNUPUOPMURF-IBGZPJMESA-N 0 0 367.449 2.647 20 10 FFCDRN O=C(CCc1ccc2c(c1)OC(F)(F)O2)NCc1c(O)cccc1O ZINC001156885540 1029390492 /nfs/dbraw/zinc/39/04/92/1029390492.db2.gz IWJQLEOKDHQJBS-UHFFFAOYSA-N 0 0 351.305 2.668 20 10 FFCDRN COc1cccc(-c2cc(CNC(=O)c3ccc(C)c(O)c3O)on2)c1 ZINC001156951489 1029418784 /nfs/dbraw/zinc/41/87/84/1029418784.db2.gz PWUJAIWVJZAQRM-UHFFFAOYSA-N 0 0 354.362 3.000 20 10 FFCDRN CCOC(=O)c1nc(NCCc2cc(O)c(O)cc2O)ccc1Cl ZINC001157245270 1029520096 /nfs/dbraw/zinc/52/00/96/1029520096.db2.gz SOGFMFNEVRBTFK-UHFFFAOYSA-N 0 0 352.774 2.683 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cn(CCOC)nc2C)cc1 ZINC000782554401 1029745273 /nfs/dbraw/zinc/74/52/73/1029745273.db2.gz AZBTYGAREIWSSB-UHFFFAOYSA-N 0 0 358.486 2.956 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccnc(C2CC2)c1 ZINC000783038052 1029883279 /nfs/dbraw/zinc/88/32/79/1029883279.db2.gz KNIMHTFXCWLCLZ-UHFFFAOYSA-N 0 0 355.413 2.865 20 10 FFCDRN COc1ccc(NCc2ccc(N(C)C)cc2C)cc1-n1nnnc1C ZINC000840928213 1029929453 /nfs/dbraw/zinc/92/94/53/1029929453.db2.gz XZAJKNGUFMRIJP-UHFFFAOYSA-N 0 0 352.442 2.966 20 10 FFCDRN COc1ccc(O)c(CNc2ccc(C(=O)N3CCOCC3)cc2C)c1 ZINC000840951803 1029940531 /nfs/dbraw/zinc/94/05/31/1029940531.db2.gz BISQMWREYXQKKF-UHFFFAOYSA-N 0 0 356.422 2.794 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C/COc3ccccc3)CC2)cc1 ZINC000841005474 1029972272 /nfs/dbraw/zinc/97/22/72/1029972272.db2.gz TWSJMUQWJQHSCI-VMPITWQZSA-N 0 0 352.434 2.979 20 10 FFCDRN C[C@H](O)C[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000783237202 1029985195 /nfs/dbraw/zinc/98/51/95/1029985195.db2.gz 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ZINC001142362279 1030349392 /nfs/dbraw/zinc/34/93/92/1030349392.db2.gz FNFUXZJJBYKSEO-AWEZNQCLSA-N 0 0 358.463 2.735 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1nc2ccccn2n1 ZINC000841680841 1030398719 /nfs/dbraw/zinc/39/87/19/1030398719.db2.gz OFTFFJIVKSGQAT-CQSZACIVSA-N 0 0 352.442 2.856 20 10 FFCDRN Nc1ccc(CCNC(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1 ZINC000841686757 1030403754 /nfs/dbraw/zinc/40/37/54/1030403754.db2.gz SPWCRKQLEXHBSW-UHFFFAOYSA-N 0 0 368.359 2.647 20 10 FFCDRN CCOC(=O)c1cnc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1C ZINC000841708878 1030421984 /nfs/dbraw/zinc/42/19/84/1030421984.db2.gz SPGPKNIITIEGLX-LBPRGKRZSA-N 0 0 359.430 2.546 20 10 FFCDRN Nc1ccc(CCNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)cc1 ZINC000841736356 1030436193 /nfs/dbraw/zinc/43/61/93/1030436193.db2.gz NRFHMYBFAFCBKR-INIZCTEOSA-N 0 0 356.445 2.776 20 10 FFCDRN C[C@@H](NC(=O)NCCc1ccc(N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000841742856 1030442620 /nfs/dbraw/zinc/44/26/20/1030442620.db2.gz GRONPCPZQGLHME-OAHLLOKOSA-N 0 0 366.465 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/nfs/dbraw/zinc/55/32/93/1030553293.db2.gz LGRLJOKUEPMSKI-KJJQSCHISA-N 0 0 351.362 2.996 20 10 FFCDRN COc1cc(CN(C(=O)NCCc2ccc(N)cc2)C2CC2)ccc1O ZINC000841957085 1030557862 /nfs/dbraw/zinc/55/78/62/1030557862.db2.gz NIINFJMATQHAFR-UHFFFAOYSA-N 0 0 355.438 2.900 20 10 FFCDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957607 1030557951 /nfs/dbraw/zinc/55/79/51/1030557951.db2.gz SJKZSWIDVGLFAE-KRWDZBQOSA-N 0 0 362.474 2.512 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCC(NC(=O)C3CCCCC3)CC2)cc1 ZINC000841957308 1030558672 /nfs/dbraw/zinc/55/86/72/1030558672.db2.gz RTQXWJCSPCBHLT-UHFFFAOYSA-N 0 0 372.513 2.682 20 10 FFCDRN COc1cc(CC2CN(C(=O)NCCc3ccc(N)cc3)C2)cc(OC)c1 ZINC000841958121 1030560633 /nfs/dbraw/zinc/56/06/33/1030560633.db2.gz OEQXRHOJQRRCSF-UHFFFAOYSA-N 0 0 369.465 2.713 20 10 FFCDRN C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)NCCc1ccc(N)cc1 ZINC000841961583 1030560764 /nfs/dbraw/zinc/56/07/64/1030560764.db2.gz FMYVPXJSHZYDJH-OAHLLOKOSA-N 0 0 364.453 2.795 20 10 FFCDRN Nc1ccc(CCNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000841963118 1030562947 /nfs/dbraw/zinc/56/29/47/1030562947.db2.gz WRXPLNHXBKYAKH-LJQANCHMSA-N 0 0 369.465 2.908 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCc3cc(C)cc(N)c3)CC2)cc1F ZINC000842007860 1030577331 /nfs/dbraw/zinc/57/73/31/1030577331.db2.gz UVXKTXUVMNMSAR-UHFFFAOYSA-N 0 0 372.444 2.757 20 10 FFCDRN Cc1ccc([C@H]2CCCN2C(=O)C(=O)NCCc2ccc(N)cc2)cc1C ZINC000842235556 1030650978 /nfs/dbraw/zinc/65/09/78/1030650978.db2.gz HVLVZTQGHCTUCG-HXUWFJFHSA-N 0 0 365.477 2.908 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@@H](c2cccnc2)C1=O ZINC000842264498 1030664911 /nfs/dbraw/zinc/66/49/11/1030664911.db2.gz JLZBTUHDTFMWRJ-KSSFIOAISA-N 0 0 352.438 2.680 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)N(C(C)C)C2CCCC2)cc1 ZINC000784556989 1030682514 /nfs/dbraw/zinc/68/25/14/1030682514.db2.gz KSAFOVMVVCTOBU-UHFFFAOYSA-N 0 0 362.470 2.854 20 10 FFCDRN COC(=O)COc1ccc(N(C)CCOc2ccccc2[N+](=O)[O-])cc1 ZINC000784566716 1030688119 /nfs/dbraw/zinc/68/81/19/1030688119.db2.gz PMIUHULTUCJWGV-UHFFFAOYSA-N 0 0 360.366 2.662 20 10 FFCDRN Cc1cc(F)c2[nH]c(=O)cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c2c1 ZINC000784586172 1030698820 /nfs/dbraw/zinc/69/88/20/1030698820.db2.gz QPMPSOSAUVOKGL-UHFFFAOYSA-N 0 0 371.320 2.839 20 10 FFCDRN COC[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000784667415 1030743937 /nfs/dbraw/zinc/74/39/37/1030743937.db2.gz IDLGPNJNXUVCAW-DOTOQJQBSA-N 0 0 363.458 2.821 20 10 FFCDRN CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784696231 1030761263 /nfs/dbraw/zinc/76/12/63/1030761263.db2.gz PCRITQHNKDWGLL-DHZHZOJOSA-N 0 0 357.318 2.835 20 10 FFCDRN COc1cccc(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)c1O ZINC001203601754 1030780711 /nfs/dbraw/zinc/78/07/11/1030780711.db2.gz JSGAXNLIPCKPDV-UHFFFAOYSA-N 0 0 352.434 2.852 20 10 FFCDRN CCOc1cccc(C[N@@H+]2CC[C@H]3O[C@@H](c4nc(C)no4)CC[C@H]32)c1O ZINC001203608177 1030784711 /nfs/dbraw/zinc/78/47/11/1030784711.db2.gz KNSPIWUCHIXLGC-BFYDXBDKSA-N 0 0 359.426 2.977 20 10 FFCDRN CCOc1cccc(CN2CCO[C@@H](c3ccccc3)[C@H]2C(=O)OC)c1O ZINC001203617657 1030788099 /nfs/dbraw/zinc/78/80/99/1030788099.db2.gz SSXIDXPSEISYDI-ICSRJNTNSA-N 0 0 371.433 2.906 20 10 FFCDRN COc1ccc(CN2CCO[C@H]3[C@@H](Oc4ncccc4F)CC[C@@H]32)c(O)c1 ZINC001203629952 1030794765 /nfs/dbraw/zinc/79/47/65/1030794765.db2.gz OKMAMVSXEUEBSP-YTQUADARSA-N 0 0 374.412 2.746 20 10 FFCDRN COc1ccc(O)c(CN2CCO[C@H]3[C@@H](Oc4cccnc4)CC[C@@H]32)c1 ZINC001203671321 1030818598 /nfs/dbraw/zinc/81/85/98/1030818598.db2.gz NHRWDNIAPKGFDB-YSIASYRMSA-N 0 0 356.422 2.607 20 10 FFCDRN COc1ccc(O)c(CN2Cc3nccn3C[C@H](COCC3CC3)C2)c1 ZINC001203673281 1030820949 /nfs/dbraw/zinc/82/09/49/1030820949.db2.gz UCVVNKMDQKMBOK-MRXNPFEDSA-N 0 0 357.454 2.656 20 10 FFCDRN COc1ccc(O)c(CN2CCc3onc(COc4cccnc4)c3C2)c1 ZINC001203675462 1030821492 /nfs/dbraw/zinc/82/14/92/1030821492.db2.gz XYFFDCWFGLWHIU-UHFFFAOYSA-N 0 0 367.405 2.921 20 10 FFCDRN Oc1ccc(C[N@@H+]2CCC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cc1O ZINC001203876652 1030949613 /nfs/dbraw/zinc/94/96/13/1030949613.db2.gz GSZXLBCZCMDLRX-FXAWDEMLSA-N 0 0 356.422 2.695 20 10 FFCDRN O=C1c2cccc(F)c2CN1[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203883772 1030954962 /nfs/dbraw/zinc/95/49/62/1030954962.db2.gz OMPJPRNXNYWKAX-CQSZACIVSA-N 0 0 356.397 2.857 20 10 FFCDRN CCOC[C@@H]1CN(Cc2ccc(N(C)C)cc2)Cc2nnn(CC3CC3)c21 ZINC001203931967 1030989504 /nfs/dbraw/zinc/98/95/04/1030989504.db2.gz ZLUYABMCBMIBHR-SFHVURJKSA-N 0 0 369.513 2.890 20 10 FFCDRN CN(C)c1ccc(CN2C[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H](C2)O3)cc1 ZINC001203931487 1030990594 /nfs/dbraw/zinc/99/05/94/1030990594.db2.gz ROCMCRNUCWPAPD-HDICACEKSA-N 0 0 361.486 2.573 20 10 FFCDRN CN(C)c1ccc(CN2CCOC[C@@H]2c2nccc(N3CCCC3)n2)cc1 ZINC001203932041 1030992886 /nfs/dbraw/zinc/99/28/86/1030992886.db2.gz PBLWQHZNDZLVSP-LJQANCHMSA-N 0 0 367.497 2.716 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3cnn4ccc(C)nc34)C2)cc1 ZINC000842879654 1031011389 /nfs/dbraw/zinc/01/13/89/1031011389.db2.gz USVWQWGTUHMMLT-HNNXBMFYSA-N 0 0 366.421 2.730 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H](C)NC(=O)C(C)(C)C)C2)cc1 ZINC000842882701 1031016172 /nfs/dbraw/zinc/01/61/72/1031016172.db2.gz YJKUYKQPJXVTHZ-GJZGRUSLSA-N 0 0 362.470 2.616 20 10 FFCDRN CN(CCN(C)c1ccc(NC(=O)C(C)(C)O)cc1)c1ccc(N)cc1 ZINC001142904148 1031024006 /nfs/dbraw/zinc/02/40/06/1031024006.db2.gz LOMXIPXPRMQGRL-UHFFFAOYSA-N 0 0 356.470 2.551 20 10 FFCDRN CCSCc1cccc(NC(=O)C(=O)NCc2ccc(OC)cc2O)c1 ZINC000797390513 1031096524 /nfs/dbraw/zinc/09/65/24/1031096524.db2.gz HWOHSVTZMKFVGE-UHFFFAOYSA-N 0 0 374.462 2.909 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000797519845 1031144903 /nfs/dbraw/zinc/14/49/03/1031144903.db2.gz FVVFRKTXMUEBNB-UHFFFAOYSA-N 0 0 360.366 2.792 20 10 FFCDRN CCS(=O)(=O)c1ccc(CCc2nc(Cc3ccc(N)cc3)no2)cc1 ZINC000843162496 1031217299 /nfs/dbraw/zinc/21/72/99/1031217299.db2.gz YUKZFUMXNPDGNJ-UHFFFAOYSA-N 0 0 371.462 2.821 20 10 FFCDRN FC(F)(F)c1nc2n(n1)CCN(Cc1ccc(N3CCCC3)cc1)C2 ZINC001204320040 1031227692 /nfs/dbraw/zinc/22/76/92/1031227692.db2.gz MJOILXHSPUHYMC-UHFFFAOYSA-N 0 0 351.376 2.913 20 10 FFCDRN COc1cc(Br)cc(CN2CCN(C(C)(C)C)C(=O)C2)c1O ZINC001204339854 1031235513 /nfs/dbraw/zinc/23/55/13/1031235513.db2.gz WJIFILOMJHPBOG-UHFFFAOYSA-N 0 0 371.275 2.606 20 10 FFCDRN COc1cc(CN2CCC[C@@](C)(NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204341354 1031238098 /nfs/dbraw/zinc/23/80/98/1031238098.db2.gz AKVQNOHJGBOHBT-LJQANCHMSA-N 0 0 366.458 2.986 20 10 FFCDRN COc1cc(CN2CC[C@H]3[C@@H]2CCN3C(=O)OC(C)(C)C)cc(O)c1O ZINC001204347904 1031242446 /nfs/dbraw/zinc/24/24/46/1031242446.db2.gz ZYDUPPNPUJRONW-KBPBESRZSA-N 0 0 364.442 2.690 20 10 FFCDRN COc1cc(CN2C[C@H](C)C[C@H](NC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204346537 1031243217 /nfs/dbraw/zinc/24/32/17/1031243217.db2.gz UJBORZCEULAAOP-OCCSQVGLSA-N 0 0 366.458 2.842 20 10 FFCDRN CCOc1cccc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000797952548 1031264996 /nfs/dbraw/zinc/26/49/96/1031264996.db2.gz WUDIHCOCWNWCTQ-GOSISDBHSA-N 0 0 370.449 2.936 20 10 FFCDRN COc1ccc(CN2CCN(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1OC ZINC001204525350 1031337956 /nfs/dbraw/zinc/33/79/56/1031337956.db2.gz SPWUGRPGAJHAOJ-CYBMUJFWSA-N 0 0 366.458 2.851 20 10 FFCDRN COC(=O)c1ccc(C)c2c1N(C(=O)/C=C(/C)c1cnccn1)CCC2 ZINC001535173612 1069737838 /nfs/dbraw/zinc/73/78/38/1069737838.db2.gz BIOVGBKVLHOTGR-KAMYIIQDSA-N 0 0 351.406 2.954 20 10 FFCDRN C[C@H]1[C@@H](NC(=O)N(C)Cc2ccccc2O)CC(=O)N1Cc1ccccc1 ZINC000798534010 1031450173 /nfs/dbraw/zinc/45/01/73/1031450173.db2.gz VURHIPDAJOJVHC-YJBOKZPZSA-N 0 0 367.449 2.723 20 10 FFCDRN CNC(=O)CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C ZINC000799309358 1031731405 /nfs/dbraw/zinc/73/14/05/1031731405.db2.gz PNPLNRYEFXKTSK-UHFFFAOYSA-N 0 0 374.462 2.527 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3c(F)ccc(F)c3[O-])C[C@H]21 ZINC001139684739 1031975249 /nfs/dbraw/zinc/97/52/49/1031975249.db2.gz KWBJYECFVKTBKK-CNDDSTCGSA-N 0 0 354.397 2.873 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)[C@@H]1CCC(C)=C(C)C1)cc2=O ZINC000829798759 1033343167 /nfs/dbraw/zinc/34/31/67/1033343167.db2.gz DNIPJILMKCLPOO-CYBMUJFWSA-N 0 0 373.409 2.791 20 10 FFCDRN CCNC(=O)N1CC[C@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000830169267 1033490350 /nfs/dbraw/zinc/49/03/50/1033490350.db2.gz XARKEIPWPATZSG-SFHVURJKSA-N 0 0 368.481 2.557 20 10 FFCDRN COc1ccc(C(=O)NC2CC[NH+](Cc3cccc(F)c3[O-])CC2)cc1 ZINC001138127875 1033810956 /nfs/dbraw/zinc/81/09/56/1033810956.db2.gz SVHUHBMREDZGRU-UHFFFAOYSA-N 0 0 358.413 2.934 20 10 FFCDRN Oc1c(F)cccc1CN1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001138128330 1033813562 /nfs/dbraw/zinc/81/35/62/1033813562.db2.gz DBIXEZMUYVBGGE-UHFFFAOYSA-N 0 0 356.323 2.662 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC001138152620 1033862357 /nfs/dbraw/zinc/86/23/57/1033862357.db2.gz LMODPUXPEYVNLX-LLVKDONJSA-N 0 0 353.378 2.555 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Br)c1N ZINC001138152588 1033862554 /nfs/dbraw/zinc/86/25/54/1033862554.db2.gz KYOFZXMAAILONY-SECBINFHSA-N 0 0 365.227 2.804 20 10 FFCDRN CC[C@H](C)N1C[C@@]2(F)CN(Cc3cc(F)cc(C)c3O)C[C@@]2(F)C1=O ZINC001277025095 1034165667 /nfs/dbraw/zinc/16/56/67/1034165667.db2.gz AVJLXFSTBPJJNM-UYHISHBKSA-N 0 0 356.388 2.713 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)Cc1cnnn1C ZINC000831706932 1034225487 /nfs/dbraw/zinc/22/54/87/1034225487.db2.gz PTOWUNBRFHNGCA-OAHLLOKOSA-N 0 0 350.422 2.853 20 10 FFCDRN CCN(CC)c1ccc(CN2CCN(c3ccccn3)C(=O)C2)c(OC)c1 ZINC001138392307 1034226999 /nfs/dbraw/zinc/22/69/99/1034226999.db2.gz VBCFIQBSMKOOAI-UHFFFAOYSA-N 0 0 368.481 2.785 20 10 FFCDRN CCN(CC)c1ccc(CN2Cc3ccnn3CC[C@H]2CO)c(OC)c1 ZINC001138391925 1034227722 /nfs/dbraw/zinc/22/77/22/1034227722.db2.gz JKEFQNOSAHCSAU-IBGZPJMESA-N 0 0 358.486 2.505 20 10 FFCDRN CCOC(=O)N[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)CC(C)C ZINC001220778338 1034396192 /nfs/dbraw/zinc/39/61/92/1034396192.db2.gz ANLQRUXWVCYLCV-KBPBESRZSA-N 0 0 351.447 2.913 20 10 FFCDRN CCN(Cc1cn(C)nn1)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000831951526 1034429279 /nfs/dbraw/zinc/42/92/79/1034429279.db2.gz GNKSIWZZJJZJLG-UHFFFAOYSA-N 0 0 351.454 2.814 20 10 FFCDRN C[C@@H]1COCCN1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138676622 1034537466 /nfs/dbraw/zinc/53/74/66/1034537466.db2.gz PYRVXRLRPZTUKU-CYBMUJFWSA-N 0 0 355.276 2.506 20 10 FFCDRN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)c(O)c1 ZINC001139032991 1034897331 /nfs/dbraw/zinc/89/73/31/1034897331.db2.gz UZHLCBFVNOZVLP-INIZCTEOSA-N 0 0 368.433 2.687 20 10 FFCDRN CC(C)[C@@H](CNC(=O)NCc1c(O)cccc1F)NC(=O)OC(C)(C)C ZINC001221895547 1035141945 /nfs/dbraw/zinc/14/19/45/1035141945.db2.gz HKAIQYDOGZNBHV-CQSZACIVSA-N 0 0 369.437 2.880 20 10 FFCDRN Cc1cc(CN2CCc3onc(Cn4ccnc4)c3C2)ccc1N(C)C ZINC001139670699 1035193224 /nfs/dbraw/zinc/19/32/24/1035193224.db2.gz QLALKIYLGNDZSB-UHFFFAOYSA-N 0 0 351.454 2.852 20 10 FFCDRN Cc1cc(CN2CCCn3c(Cn4cccc4)nnc3C2)ccc1N(C)C ZINC001139671916 1035194269 /nfs/dbraw/zinc/19/42/69/1035194269.db2.gz QSSKIVRNZBIVQE-UHFFFAOYSA-N 0 0 364.497 2.908 20 10 FFCDRN CCOC[C@H]1CN(Cc2ccc(N(C)C)c(C)c2)Cc2nnn(CC)c21 ZINC001139672541 1035194288 /nfs/dbraw/zinc/19/42/88/1035194288.db2.gz XZFIAMLHPQOUJV-QGZVFWFLSA-N 0 0 357.502 2.808 20 10 FFCDRN O=C(c1ccccc1)N1C[C@@H]2C[N@H+](Cc3c(F)ccc(F)c3[O-])C[C@@H]2C1 ZINC001139681383 1035196310 /nfs/dbraw/zinc/19/63/10/1035196310.db2.gz PMTRVVILLJIBFO-GASCZTMLSA-N 0 0 358.388 2.874 20 10 FFCDRN [O-]c1c(F)ccc(F)c1C[N@@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001139682081 1035197059 /nfs/dbraw/zinc/19/70/59/1035197059.db2.gz OBJZKCQCWVWJBF-UHFFFAOYSA-N 0 0 360.408 2.661 20 10 FFCDRN O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001139685434 1035198007 /nfs/dbraw/zinc/19/80/07/1035198007.db2.gz YLQVLPYFQBCQBN-QRWLVFNGSA-N 0 0 373.403 2.594 20 10 FFCDRN O=C1N(CC2CC2)CCC12CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139688902 1035198823 /nfs/dbraw/zinc/19/88/23/1035198823.db2.gz CMXKHMZAVZNXAF-UHFFFAOYSA-N 0 0 350.409 2.895 20 10 FFCDRN Oc1cccc2c1CN(Cc1sc(N3CCOCC3)nc1Cl)CC2 ZINC001139905715 1035269613 /nfs/dbraw/zinc/26/96/13/1035269613.db2.gz WWCQWKDAAQHHIU-UHFFFAOYSA-N 0 0 365.886 2.897 20 10 FFCDRN CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC001140058251 1035325643 /nfs/dbraw/zinc/32/56/43/1035325643.db2.gz WITODLDZUXPKCW-OAHLLOKOSA-N 0 0 354.422 2.647 20 10 FFCDRN CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC001140058250 1035326267 /nfs/dbraw/zinc/32/62/67/1035326267.db2.gz WITODLDZUXPKCW-HNNXBMFYSA-N 0 0 354.422 2.647 20 10 FFCDRN Cc1cnc(N2CCN(Cc3c(O)cccc3Br)CC2)nc1 ZINC001140102394 1035343099 /nfs/dbraw/zinc/34/30/99/1035343099.db2.gz PBTSLNWDJSJMPW-UHFFFAOYSA-N 0 0 363.259 2.575 20 10 FFCDRN Cc1ccc(C)c(CN2CCOC[C@@H]2CNC(=O)OC(C)(C)C)c1O ZINC001140184288 1035371977 /nfs/dbraw/zinc/37/19/77/1035371977.db2.gz QOKGSRRJCAPNHU-HNNXBMFYSA-N 0 0 350.459 2.735 20 10 FFCDRN Cc1cc(CC(=O)N2CC[C@H](C)S(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000834440451 1035385854 /nfs/dbraw/zinc/38/58/54/1035385854.db2.gz PQVOLXWTEVKUHG-INIZCTEOSA-N 0 0 374.506 2.672 20 10 FFCDRN COCc1cnc2n1CCN(Cc1ccc(N3CCC(O)CC3)cc1)[C@@H]2C ZINC001140282819 1035417351 /nfs/dbraw/zinc/41/73/51/1035417351.db2.gz FBOHVSPSIVABJZ-MRXNPFEDSA-N 0 0 370.497 2.567 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccc(Cl)cc2O)CCO1 ZINC001140462951 1035484519 /nfs/dbraw/zinc/48/45/19/1035484519.db2.gz POFBRUOGKHPUSK-CQSZACIVSA-N 0 0 356.850 2.771 20 10 FFCDRN CC(C)(C)OC(=O)N1CCN(Cc2ccc(Cl)cc2O)C[C@@H]1CCO ZINC001140465838 1035485547 /nfs/dbraw/zinc/48/55/47/1035485547.db2.gz RQYHUJWROPITNU-HNNXBMFYSA-N 0 0 370.877 2.849 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@]2(C)CCCO2)n1C[C@@H]1CCOC1 ZINC000835016898 1035487769 /nfs/dbraw/zinc/48/77/69/1035487769.db2.gz IRZPZCPZNJAWNZ-YWZLYKJASA-N 0 0 372.469 2.682 20 10 FFCDRN CN(C)c1ccc(/C=C\CN2CCN(C(=O)c3cccnc3)CC2)cc1 ZINC000835025224 1035489256 /nfs/dbraw/zinc/48/92/56/1035489256.db2.gz GNGSYQATWWZNSK-PLNGDYQASA-N 0 0 350.466 2.619 20 10 FFCDRN CN(CC(=O)OC(C)(C)C)Cc1ccc(N2CCOCC2)c(Cl)c1 ZINC001232194253 1035494244 /nfs/dbraw/zinc/49/42/44/1035494244.db2.gz GQQDTQCDSFPACZ-UHFFFAOYSA-N 0 0 354.878 2.950 20 10 FFCDRN COc1cc(O[C@@H](C)CON)c2c(c1)oc(-c1ccc(O)c(O)c1)cc2=O ZINC001227303775 1035499569 /nfs/dbraw/zinc/49/95/69/1035499569.db2.gz QXRXVYJUODLZAU-JTQLQIEISA-N 0 0 373.361 2.537 20 10 FFCDRN CCOC(=O)c1ncn2c1CN(Cc1cc(Cl)c(O)cc1O)CCC2 ZINC001232259040 1035528300 /nfs/dbraw/zinc/52/83/00/1035528300.db2.gz HHTSZVZVMSLZHY-UHFFFAOYSA-N 0 0 365.817 2.530 20 10 FFCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)c(O)cc2O)[C@@H]2C[C@@H]21 ZINC001232258131 1035528917 /nfs/dbraw/zinc/52/89/17/1035528917.db2.gz QTMIGVNJOWNLOE-OLZOCXBDSA-N 0 0 354.834 2.945 20 10 FFCDRN COc1cc(O)c(CN2CCN(CCc3ccccn3)CC2)cc1Cl ZINC001232265255 1035535271 /nfs/dbraw/zinc/53/52/71/1035535271.db2.gz RWGMQGDVVYAGOR-UHFFFAOYSA-N 0 0 361.873 2.810 20 10 FFCDRN COCc1cnc2n1CCN(Cc1cc(Cl)c(OC)cc1O)[C@H]2C ZINC001232266302 1035537913 /nfs/dbraw/zinc/53/79/13/1035537913.db2.gz WAPSPISCDHIVBB-NSHDSACASA-N 0 0 351.834 2.974 20 10 FFCDRN Oc1cc(O)c(CN2CCn3c(Br)cnc3C2)cc1Cl ZINC001232268790 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Cc1cc(CNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC001544080731 1071593693 /nfs/dbraw/zinc/59/36/93/1071593693.db2.gz PNWPYLNPRREMAS-SJORKVTESA-N 0 0 353.466 2.920 20 10 FFCDRN CC1(C)C[C@@H](c2ccccc2)CN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC001353147301 1056120781 /nfs/dbraw/zinc/12/07/81/1056120781.db2.gz CLFIIBXQNSKXRQ-GOSISDBHSA-N 0 0 365.477 2.722 20 10 FFCDRN CC[C@H]1CN(c2nnc(C3SC=CC3=O)n2C[C@H]2CCCO2)CCO1 ZINC001358236916 1056210355 /nfs/dbraw/zinc/21/03/55/1056210355.db2.gz YMQOEIWDFVNKBR-QWHCGFSZSA-N 0 0 364.471 2.506 20 10 FFCDRN CCn1c([C@H]2CCC(=O)N2C(C)C)nnc1N(C)Cc1ccccc1O ZINC001339353718 1056362105 /nfs/dbraw/zinc/36/21/05/1056362105.db2.gz MHHZHGVYHWNTFP-OAHLLOKOSA-N 0 0 357.458 2.712 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC(c2ccn(C)n2)CC1 ZINC001339366904 1056378339 /nfs/dbraw/zinc/37/83/39/1056378339.db2.gz NJDCTTNFCDOMSO-UHFFFAOYSA-N 0 0 358.471 2.850 20 10 FFCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1C[C@@H]2CSC[C@]2(C)C1 ZINC001339381598 1056396734 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CCCN(CC)c1nnc(C)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001500734566 1058562756 /nfs/dbraw/zinc/56/27/56/1058562756.db2.gz CKSHRQGWJNRQGT-UHFFFAOYSA-N 0 0 361.465 2.847 20 10 FFCDRN CCc1nnc(N2CCc3oncc3C2)n1Cc1ccc(N(C)C)cc1C ZINC001513874061 1058632694 /nfs/dbraw/zinc/63/26/94/1058632694.db2.gz LJJCVNGFZRXSOJ-UHFFFAOYSA-N 0 0 366.469 2.814 20 10 FFCDRN COc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c([N+](=O)[O-])cc1F ZINC001447566612 1058670604 /nfs/dbraw/zinc/67/06/04/1058670604.db2.gz YRHDXRCEDGEVAF-VIFPVBQESA-N 0 0 364.329 2.515 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001545639071 1071824016 /nfs/dbraw/zinc/82/40/16/1071824016.db2.gz BJBOFPDFRVYWQA-HNNXBMFYSA-N 0 0 364.760 2.700 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C(C)(F)F)n1C[C@H]1CCOC1 ZINC001519694840 1058963812 /nfs/dbraw/zinc/96/38/12/1058963812.db2.gz CCVPOTBJDBGVLU-GFCCVEGCSA-N 0 0 352.385 2.768 20 10 FFCDRN CCc1nnc(N2CCO[C@H](CC)C2)n1Cc1ccc2c(c1)CCCN2C ZINC001546552812 1071837556 /nfs/dbraw/zinc/83/75/56/1071837556.db2.gz HARVZMDXLJADQB-GOSISDBHSA-N 0 0 369.513 2.886 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1[nH]nc2ccc(Br)cc21 ZINC001451763924 1059142723 /nfs/dbraw/zinc/14/27/23/1059142723.db2.gz BXLYHCBSPOFLNM-UHFFFAOYSA-N 0 0 362.183 2.667 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1cccc(Cn2cncn2)c1 ZINC001451955498 1059169219 /nfs/dbraw/zinc/16/92/19/1059169219.db2.gz QFDOPERYTJQSNB-UHFFFAOYSA-N 0 0 359.389 2.510 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC001451955470 1059169350 /nfs/dbraw/zinc/16/93/50/1059169350.db2.gz QEIYIVSURNCCQF-DLBZAZTESA-N 0 0 362.385 2.861 20 10 FFCDRN COCc1nocc1C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001354575774 1059187579 /nfs/dbraw/zinc/18/75/79/1059187579.db2.gz KJLMMLRHQOKMTE-UHFFFAOYSA-N 0 0 362.341 2.849 20 10 FFCDRN CN1Cc2ccccc2[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1=O ZINC001453603152 1059393405 /nfs/dbraw/zinc/39/34/05/1059393405.db2.gz AOUQQWRBLOWRDZ-KRWDZBQOSA-N 0 0 368.414 2.756 20 10 FFCDRN CCOC1CCN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC1 ZINC001520148980 1059428176 /nfs/dbraw/zinc/42/81/76/1059428176.db2.gz FNZGRWKDYATKOP-UHFFFAOYSA-N 0 0 359.455 2.803 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H]1OCc2ccccc21 ZINC000848231500 1059432284 /nfs/dbraw/zinc/43/22/84/1059432284.db2.gz DBRXKYCUKMQQOE-LJQANCHMSA-N 0 0 369.417 2.946 20 10 FFCDRN CCN1C(=O)C[C@H](C(=O)NCc2ccc(N)cc2)[C@H]1c1cccc(C)c1 ZINC001515332213 1059564234 /nfs/dbraw/zinc/56/42/34/1059564234.db2.gz JHMPGNOEQKXAGX-AZUAARDMSA-N 0 0 351.450 2.803 20 10 FFCDRN C[C@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])OCCCO2)c1ccccc1O ZINC001454817806 1059631050 /nfs/dbraw/zinc/63/10/50/1059631050.db2.gz MBYBRSFIVGYHHJ-NSHDSACASA-N 0 0 358.350 2.953 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1[nH]nc2ccc(Br)cc21 ZINC001456236808 1060063916 /nfs/dbraw/zinc/06/39/16/1060063916.db2.gz QTLCBEFEEOBTIY-UHFFFAOYSA-N 0 0 362.183 2.667 20 10 FFCDRN CCn1c2ccccc2nc(N2CCN(c3ccc(OC)cc3)CC2)c1=O ZINC000848639503 1060382459 /nfs/dbraw/zinc/38/24/59/1060382459.db2.gz AVOPFCZKWOUBIK-UHFFFAOYSA-N 0 0 364.449 2.752 20 10 FFCDRN Cc1nnc(N2CCO[C@@H](C(C)C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001511899510 1060464335 /nfs/dbraw/zinc/46/43/35/1060464335.db2.gz OIJNTJKOHASDKN-GOSISDBHSA-N 0 0 361.465 2.701 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC(c3nnc4n3CCC4)CC2)cc1OC ZINC001458114014 1060515760 /nfs/dbraw/zinc/51/57/60/1060515760.db2.gz RVLIAGMLDZOPGG-UHFFFAOYSA-N 0 0 373.413 2.534 20 10 FFCDRN CC(C)Cn1c(Cc2nccn2C)nnc1N(C)Cc1ccccc1O ZINC001517495505 1060527640 /nfs/dbraw/zinc/52/76/40/1060527640.db2.gz ZLRCZMCARVHORL-UHFFFAOYSA-N 0 0 354.458 2.600 20 10 FFCDRN Cc1cc(CC(=O)N2CCN(C)C(=O)C2(C)C)c(C)n1-c1ccccc1 ZINC001355760993 1060570551 /nfs/dbraw/zinc/57/05/51/1060570551.db2.gz OZIINTMQOBQDNV-UHFFFAOYSA-N 0 0 353.466 2.716 20 10 FFCDRN CO[C@@H]1CC[C@@H](C)N(c2nnc(C3Sc4ncccc4C3=O)n2C)C1 ZINC001355800691 1060602278 /nfs/dbraw/zinc/60/22/78/1060602278.db2.gz GWRFPZOXIBGCOH-GHMZBOCLSA-N 0 0 359.455 2.801 20 10 FFCDRN Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1-c1ccc(F)cn1 ZINC001458764996 1060660335 /nfs/dbraw/zinc/66/03/35/1060660335.db2.gz CVZTYTUPOWLCDM-UHFFFAOYSA-N 0 0 367.380 2.989 20 10 FFCDRN C/C(=C\c1cccnc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000848834513 1060795920 /nfs/dbraw/zinc/79/59/20/1060795920.db2.gz LKYRWAAHXVPPCX-FOWTUZBSSA-N 0 0 367.449 2.753 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2ccc(C)c(C(=O)OC)c2)cc1 ZINC001459931093 1060851955 /nfs/dbraw/zinc/85/19/55/1060851955.db2.gz GOHWACUOTQSCLY-UHFFFAOYSA-N 0 0 357.406 2.970 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@]1(C)CCCO1 ZINC001548085219 1072015059 /nfs/dbraw/zinc/01/50/59/1072015059.db2.gz HQCVVSCCTAXRLL-IBGZPJMESA-N 0 0 360.458 2.726 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1ccc2ncccc2c1[N+](=O)[O-])c1ccccc1O ZINC001475585769 1061150254 /nfs/dbraw/zinc/15/02/54/1061150254.db2.gz IHBZWPJRPSLJDA-LLVKDONJSA-N 0 0 373.390 2.888 20 10 FFCDRN CCOc1ccc(S(=O)(=O)NCc2c(O)cccc2F)cc1OCC ZINC001475707294 1061220762 /nfs/dbraw/zinc/22/07/62/1061220762.db2.gz PKPFYAKDFSNZGB-UHFFFAOYSA-N 0 0 369.414 2.807 20 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/nfs/dbraw/zinc/54/54/73/1061545473.db2.gz BAJFLCARAKVKCP-UHFFFAOYSA-N 0 0 358.486 2.884 20 10 FFCDRN COc1ccc2c(c1)CCCN2CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O ZINC000766340977 1061695580 /nfs/dbraw/zinc/69/55/80/1061695580.db2.gz GZVUEKLAFHKRPG-UHFFFAOYSA-N 0 0 367.361 2.610 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCCN(CC(F)F)CC2)c([N+](=O)[O-])c1 ZINC000766429312 1061702874 /nfs/dbraw/zinc/70/28/74/1061702874.db2.gz XMPMLPMGVXMOQF-GQCTYLIASA-N 0 0 369.368 2.558 20 10 FFCDRN Cc1cc(CCNC(=O)c2c([N+](=O)[O-])cnn2C)c(C)n1-c1ccccc1 ZINC000766765930 1061724750 /nfs/dbraw/zinc/72/47/50/1061724750.db2.gz UXVXQSJRYWQOLC-UHFFFAOYSA-N 0 0 367.409 2.708 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@@](C)(C(=O)OC)C2)cc1 ZINC001477533670 1061731932 /nfs/dbraw/zinc/73/19/32/1061731932.db2.gz NQAYDGFJLRCWTD-YWZLYKJASA-N 0 0 361.486 2.873 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H](CO)CCc1ccccc1 ZINC001477854900 1061824211 /nfs/dbraw/zinc/82/42/11/1061824211.db2.gz OBOCUKXHTFZTGF-LJQANCHMSA-N 0 0 355.482 2.854 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H]2C[C@]2(C)c2ccccc2OC)c1O ZINC001477988383 1061861661 /nfs/dbraw/zinc/86/16/61/1061861661.db2.gz KMMRHBNUCZLRAY-YLJYHZDGSA-N 0 0 356.422 2.939 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C)ns2)cc1F ZINC001463063302 1061917714 /nfs/dbraw/zinc/91/77/14/1061917714.db2.gz BITUPEQQKKQBKS-UHFFFAOYSA-N 0 0 357.476 2.915 20 10 FFCDRN O=C(/C=C/c1ccccc1)NCCCNC(=O)N1Cc2cccc(O)c2C1 ZINC001478521897 1062040885 /nfs/dbraw/zinc/04/08/85/1062040885.db2.gz FISYJBKQECTPKD-ZHACJKMWSA-N 0 0 365.433 2.637 20 10 FFCDRN Cc1ccc(C2=NO[C@@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C2)cc1 ZINC001361102497 1062095659 /nfs/dbraw/zinc/09/56/59/1062095659.db2.gz UVJSMSWNPCUHIS-HXUWFJFHSA-N 0 0 365.433 2.980 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1COc2ccc(O)cc2O1 ZINC001463810372 1062272555 /nfs/dbraw/zinc/27/25/55/1062272555.db2.gz RPLMBWZZOUUCPO-FQEVSTJZSA-N 0 0 368.433 2.791 20 10 FFCDRN Cc1cc(CCNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)nn1C ZINC001479225846 1062294144 /nfs/dbraw/zinc/29/41/44/1062294144.db2.gz FNEQQDRDQCCRJL-UHFFFAOYSA-N 0 0 355.486 2.713 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ncccc2Br)c1O ZINC001479575779 1062568802 /nfs/dbraw/zinc/56/88/02/1062568802.db2.gz REFRUQGGBANIQZ-UHFFFAOYSA-N 0 0 366.215 2.558 20 10 FFCDRN C[C@@H]1CO[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC001531504838 1062785215 /nfs/dbraw/zinc/78/52/15/1062785215.db2.gz UOGAOZKOMPTZRQ-XEZPLFJOSA-N 0 0 354.397 2.798 20 10 FFCDRN Cc1cc(NC(=O)NCc2c(O)cccc2F)n(-c2nc(C)cc(C)n2)n1 ZINC001465064566 1062960566 /nfs/dbraw/zinc/96/05/66/1062960566.db2.gz LRTFVJVLFZYGKE-UHFFFAOYSA-N 0 0 370.388 2.754 20 10 FFCDRN Cc1cc(CC(=O)NC2(C(F)F)OCCO2)c(C)n1-c1ccccc1 ZINC001532475714 1063087230 /nfs/dbraw/zinc/08/72/30/1063087230.db2.gz YFGSIVNQVVFVGB-UHFFFAOYSA-N 0 0 350.365 2.719 20 10 FFCDRN COc1ncc(/C=C/C(=O)N(Cc2cnn(C)c2)c2ccc(C)cc2)cn1 ZINC001439219944 1063116393 /nfs/dbraw/zinc/11/63/93/1063116393.db2.gz QUXFSWJSCASMFG-RMKNXTFCSA-N 0 0 363.421 2.774 20 10 FFCDRN Cc1ccc(N2CCN(C(=O)Cc3ccc(O)c(O)c3)[C@H](C)C2)cc1C ZINC001465598065 1063147613 /nfs/dbraw/zinc/14/76/13/1063147613.db2.gz IPKHTPGSJRZJAD-MRXNPFEDSA-N 0 0 354.450 2.994 20 10 FFCDRN CN(C(=O)c1cn(C)nc1-c1cnn(C)c1)c1ccc(Br)cc1 ZINC001439545594 1063176589 /nfs/dbraw/zinc/17/65/89/1063176589.db2.gz PNDDFOIXKDYFCO-UHFFFAOYSA-N 0 0 374.242 2.860 20 10 FFCDRN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)N(C)Cc2ccccc2O)c1 ZINC001465843133 1063232234 /nfs/dbraw/zinc/23/22/34/1063232234.db2.gz SGJYRKCACUSFKI-GOSISDBHSA-N 0 0 352.434 2.964 20 10 FFCDRN CCN1CCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)CC1 ZINC001440742576 1063349413 /nfs/dbraw/zinc/34/94/13/1063349413.db2.gz YBEJJFYHQZZQAE-UHFFFAOYSA-N 0 0 355.482 2.693 20 10 FFCDRN CCOC(=O)[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C ZINC001466290445 1063384094 /nfs/dbraw/zinc/38/40/94/1063384094.db2.gz XKBLXTIJRLTFRG-AEFFLSMTSA-N 0 0 363.454 2.735 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1Cc2ccccc21 ZINC001466398434 1063423192 /nfs/dbraw/zinc/42/31/92/1063423192.db2.gz MVRQFFHLGFZRHN-INIZCTEOSA-N 0 0 359.809 2.887 20 10 FFCDRN CC(C)(C[C@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1)C(N)=O ZINC001468199149 1063942659 /nfs/dbraw/zinc/94/26/59/1063942659.db2.gz LMJZBNHILSYZDX-GFCCVEGCSA-N 0 0 359.430 2.603 20 10 FFCDRN Cc1nccc(NCc2cccc(C(=O)NCc3ccc(O)cc3O)c2)n1 ZINC001469158539 1064100792 /nfs/dbraw/zinc/10/07/92/1064100792.db2.gz ASHAXSOEIZMJMK-UHFFFAOYSA-N 0 0 364.405 2.738 20 10 FFCDRN Cc1cc(C(=O)N2[C@H](CO)CC[C@H]2CO)c(C)n1-c1ccc(Cl)cc1 ZINC001469497561 1064156613 /nfs/dbraw/zinc/15/66/13/1064156613.db2.gz SYHJMYZFGWXOSA-IRXDYDNUSA-N 0 0 362.857 2.705 20 10 FFCDRN Cc1cc(C(=O)NCC2N=NC(=O)N2C)c(C)n1-c1ccc(C(C)C)cc1 ZINC001469511623 1064158578 /nfs/dbraw/zinc/15/85/78/1064158578.db2.gz KOXSHXOJUBOGHE-UHFFFAOYSA-N 0 0 367.453 2.982 20 10 FFCDRN COC(=O)c1cc(F)cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC001470020516 1064245458 /nfs/dbraw/zinc/24/54/58/1064245458.db2.gz POSKFEMMEZWAAD-INIZCTEOSA-N 0 0 372.396 2.630 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC001470147014 1064263490 /nfs/dbraw/zinc/26/34/90/1064263490.db2.gz QSSPHPOXOSXTDA-ZENLRNHISA-N 0 0 361.344 2.989 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](O)C[C@@]2(C)CO)c(C)n1-c1cccc(Cl)c1 ZINC001470302531 1064299692 /nfs/dbraw/zinc/29/96/92/1064299692.db2.gz FCXWXJSUYARUSH-LPHOPBHVSA-N 0 0 362.857 2.705 20 10 FFCDRN Cc1cc(CNC(=O)N(C)CCN2CCOCC2)c(C)n1-c1ccccc1 ZINC001471035508 1064532848 /nfs/dbraw/zinc/53/28/48/1064532848.db2.gz RXIJCPHXJZFNKC-UHFFFAOYSA-N 0 0 370.497 2.568 20 10 FFCDRN CCOC(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2O)cc([N+](=O)[O-])c1 ZINC001471195051 1064597424 /nfs/dbraw/zinc/59/74/24/1064597424.db2.gz SVOQWHNFOODBJI-NSHDSACASA-N 0 0 358.350 2.968 20 10 FFCDRN CC(=O)c1cnccc1NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001575046157 1078099451 /nfs/dbraw/zinc/09/94/51/1078099451.db2.gz UVYAOQAXSODDIJ-UHFFFAOYSA-N 0 0 352.419 2.588 20 10 FFCDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1cccc(O)c1O ZINC001471642937 1064743667 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Cc1cc(C(=O)Cn2cnnc2[S@](C)=O)c(C)n1-c1cccc(C)c1 ZINC000103924105 508324141 /nfs/dbraw/zinc/32/41/41/508324141.db2.gz KDGPHGGDNUVSRH-RUZDIDTESA-N 0 0 356.451 2.614 20 10 FFCDRN Cn1nc(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000077666366 508347428 /nfs/dbraw/zinc/34/74/28/508347428.db2.gz XJTWRNZDGDBHTN-UHFFFAOYSA-N 0 0 374.460 2.623 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1ccc[nH]1 ZINC000114941667 508361009 /nfs/dbraw/zinc/36/10/09/508361009.db2.gz FEAXMFYAPJEMFU-LJQANCHMSA-N 0 0 354.454 2.898 20 10 FFCDRN COc1cccc(CNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)c1O ZINC000105650619 508379648 /nfs/dbraw/zinc/37/96/48/508379648.db2.gz NTORPMURCLTNKK-UHFFFAOYSA-N 0 0 374.481 2.882 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000089239849 508393586 /nfs/dbraw/zinc/39/35/86/508393586.db2.gz HNHBFMMHNMNJHO-GOSISDBHSA-N 0 0 367.449 2.725 20 10 FFCDRN C[C@H](c1ccccc1)N1C[C@@H](C(=O)NCCc2ccc(N)cc2)CC1=O ZINC000152478640 508455199 /nfs/dbraw/zinc/45/51/99/508455199.db2.gz NTMVCYHYLDQRFA-QAPCUYQASA-N 0 0 351.450 2.537 20 10 FFCDRN Cc1cc(C(=O)N2CCC(c3nncn3C)CC2)c(C)n1-c1ccccn1 ZINC000371428756 512396937 /nfs/dbraw/zinc/39/69/37/512396937.db2.gz HIAPZIWJALFWEF-UHFFFAOYSA-N 0 0 364.453 2.637 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(F)nc1 ZINC000152741126 508506141 /nfs/dbraw/zinc/50/61/41/508506141.db2.gz LWVGYRDHNHVFJU-UHFFFAOYSA-N 0 0 370.428 2.808 20 10 FFCDRN Cc1cc(C(=O)CSc2nnc(CO)n2C)c(C)n1-c1ccc(C)cc1 ZINC000122339099 508519563 /nfs/dbraw/zinc/51/95/63/508519563.db2.gz QRVITRVKEYASGL-UHFFFAOYSA-N 0 0 370.478 2.998 20 10 FFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1n1ccnc1 ZINC000152908008 508530252 /nfs/dbraw/zinc/53/02/52/508530252.db2.gz INCATAAIOQJJMR-RDTXWAMCSA-N 0 0 359.449 2.881 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)COc3cccnc3)cc2F)C[C@@H](C)O1 ZINC000116704959 508547965 /nfs/dbraw/zinc/54/79/65/508547965.db2.gz JIVHDUVCHBPRHJ-HUUCEWRRSA-N 0 0 373.428 2.530 20 10 FFCDRN COc1cccc(CNC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)c1O ZINC000116975936 508574406 /nfs/dbraw/zinc/57/44/06/508574406.db2.gz RRNUJHAKTFNQIA-NRFANRHFSA-N 0 0 368.433 2.712 20 10 FFCDRN O=C(Nc1nncs1)C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000377695312 512404571 /nfs/dbraw/zinc/40/45/71/512404571.db2.gz JUSFVOLBGNYIMY-UHFFFAOYSA-N 0 0 370.837 2.887 20 10 FFCDRN O=C(NCCc1cccnc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000122868879 508599419 /nfs/dbraw/zinc/59/94/19/508599419.db2.gz KLNWJMCTHIAURH-GOSISDBHSA-N 0 0 355.438 2.721 20 10 FFCDRN CS[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000117484365 508601561 /nfs/dbraw/zinc/60/15/61/508601561.db2.gz QKUZXAHVOYQMGM-SJLPKXTDSA-N 0 0 363.527 2.997 20 10 FFCDRN CCC(=O)c1cccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000135938096 508659814 /nfs/dbraw/zinc/65/98/14/508659814.db2.gz ZARJMSIQCBROQQ-UHFFFAOYSA-N 0 0 367.449 2.942 20 10 FFCDRN CCNc1nc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cs1 ZINC000158592179 508725837 /nfs/dbraw/zinc/72/58/37/508725837.db2.gz XOBSETBQKBGCAF-UHFFFAOYSA-N 0 0 364.446 2.685 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000129690280 508755143 /nfs/dbraw/zinc/75/51/43/508755143.db2.gz XZUUZYSWOHEXDT-UHFFFAOYSA-N 0 0 363.439 2.623 20 10 FFCDRN Cc1noc(C)c1C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000124443109 508832879 /nfs/dbraw/zinc/83/28/79/508832879.db2.gz KPXSDGQYRLYYHO-AWEZNQCLSA-N 0 0 372.469 2.558 20 10 FFCDRN CCCC[C@@H](NC(N)=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000147028430 508855045 /nfs/dbraw/zinc/85/50/45/508855045.db2.gz ZCSNNRFFBJNYDH-GOSISDBHSA-N 0 0 360.502 2.862 20 10 FFCDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)no1 ZINC000120132652 508935433 /nfs/dbraw/zinc/93/54/33/508935433.db2.gz POFYUOUYIJLJOO-UHFFFAOYSA-N 0 0 361.417 2.828 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C2(NC(=O)OC(C)(C)C)CC2)cc1F ZINC000151325397 508999254 /nfs/dbraw/zinc/99/92/54/508999254.db2.gz SRVNHMUFZRAFMP-UHFFFAOYSA-N 0 0 351.422 2.565 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(COC)c1 ZINC000125795254 509030512 /nfs/dbraw/zinc/03/05/12/509030512.db2.gz GTGYFPQAZBJZIC-UHFFFAOYSA-N 0 0 356.422 2.916 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](CO)c1ccccc1 ZINC000175862011 509184880 /nfs/dbraw/zinc/18/48/80/509184880.db2.gz WFBWMLHSNQOBCV-IBGZPJMESA-N 0 0 353.466 2.862 20 10 FFCDRN COc1ccc(O[C@@H](C)CNC(=O)NCc2cccc(OC)c2O)cc1 ZINC000266777755 509188402 /nfs/dbraw/zinc/18/84/02/509188402.db2.gz JQGNFNGWBDIFHA-ZDUSSCGKSA-N 0 0 360.410 2.676 20 10 FFCDRN COc1cc(N2CCN(C(=O)[C@H](C)C(C)C)CC2)cc(OC)c1OC ZINC000185502488 509209602 /nfs/dbraw/zinc/20/96/02/509209602.db2.gz OVYQRPUQRZABKZ-CQSZACIVSA-N 0 0 350.459 2.653 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S ZINC000206863739 509236273 /nfs/dbraw/zinc/23/62/73/509236273.db2.gz KLGJOFWXTJEJFP-KAMYIIQDSA-N 0 0 364.492 2.907 20 10 FFCDRN CC(=O)N1CCN(Cc2cccc(NCc3cc(F)ccc3O)c2)CC1 ZINC000188766750 509253953 /nfs/dbraw/zinc/25/39/53/509253953.db2.gz IFKKBRVZQMWQJY-UHFFFAOYSA-N 0 0 357.429 2.808 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2nc(C)cs2)cc1F ZINC000176012893 509273160 /nfs/dbraw/zinc/27/31/60/509273160.db2.gz VXAAMJGJPRJVOD-UHFFFAOYSA-N 0 0 364.446 2.692 20 10 FFCDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182547802 509296567 /nfs/dbraw/zinc/29/65/67/509296567.db2.gz FIEAJNACAZUOMZ-UHFFFAOYSA-N 0 0 356.422 2.642 20 10 FFCDRN CCOc1cc(C(=O)N(C)Cc2ccccc2O)ccc1OCC(=O)OC ZINC000264037816 509297073 /nfs/dbraw/zinc/29/70/73/509297073.db2.gz PATRJJNDMLNNNF-UHFFFAOYSA-N 0 0 373.405 2.615 20 10 FFCDRN COc1cccc(N2CC[C@@H](NC(=O)N(C)Cc3ccccc3O)C2)c1 ZINC000264090950 509325738 /nfs/dbraw/zinc/32/57/38/509325738.db2.gz WJWVZRJDPTXCOK-MRXNPFEDSA-N 0 0 355.438 2.821 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2cnccn2)n1 ZINC000173193793 509447619 /nfs/dbraw/zinc/44/76/19/509447619.db2.gz MOEJOQOFFSTSEM-UHFFFAOYSA-N 0 0 367.434 2.705 20 10 FFCDRN COc1ccccc1OCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173206407 509454892 /nfs/dbraw/zinc/45/48/92/509454892.db2.gz FSQFZIKTYUGCBH-UHFFFAOYSA-N 0 0 356.422 2.956 20 10 FFCDRN Cc1ccc(Br)nc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000189458811 509584025 /nfs/dbraw/zinc/58/40/25/509584025.db2.gz BLPCMDYOKXTURL-JTQLQIEISA-N 0 0 365.227 2.925 20 10 FFCDRN CCN(CCS(C)(=O)=O)Cc1ccc(OCc2ccccc2)cc1O ZINC000183111145 509602416 /nfs/dbraw/zinc/60/24/16/509602416.db2.gz PJYPDIHXEGQCHL-UHFFFAOYSA-N 0 0 363.479 2.838 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)cc1 ZINC000237263923 509606615 /nfs/dbraw/zinc/60/66/15/509606615.db2.gz PKSXRNYLTHTOJH-HXUWFJFHSA-N 0 0 353.466 2.824 20 10 FFCDRN Cc1cc(C(=O)NCCCNC(=O)C2CCC2)c(C)n1-c1ccccn1 ZINC000267852803 509642710 /nfs/dbraw/zinc/64/27/10/509642710.db2.gz DZQALZMSWSKRCI-UHFFFAOYSA-N 0 0 354.454 2.525 20 10 FFCDRN COc1ccc(C(F)(F)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186389607 509684828 /nfs/dbraw/zinc/68/48/28/509684828.db2.gz RGHWTYFNZVLHPA-LLVKDONJSA-N 0 0 351.349 2.946 20 10 FFCDRN Cc1onc(-c2ccccn2)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186397605 509688774 /nfs/dbraw/zinc/68/87/74/509688774.db2.gz BXMWHVMYMZVQIN-LLVKDONJSA-N 0 0 353.378 2.817 20 10 FFCDRN CC[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC000183314815 509710928 /nfs/dbraw/zinc/71/09/28/509710928.db2.gz FUZVRIWNMJFAGN-RDJZCZTQSA-N 0 0 364.461 2.608 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCc1ccc(O)cc1 ZINC000183331664 509720732 /nfs/dbraw/zinc/72/07/32/509720732.db2.gz IBFJHDVMWROLAF-UHFFFAOYSA-N 0 0 354.450 2.820 20 10 FFCDRN Cc1cc(C(=O)N2CCOCC3(CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000183362816 509741039 /nfs/dbraw/zinc/74/10/39/509741039.db2.gz XZDOYMVANOXRIP-UHFFFAOYSA-N 0 0 369.465 2.758 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(C)n1 ZINC000268081138 509747298 /nfs/dbraw/zinc/74/72/98/509747298.db2.gz VJGQUVVPGZGAKT-UHFFFAOYSA-N 0 0 353.422 2.538 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000237947973 509784566 /nfs/dbraw/zinc/78/45/66/509784566.db2.gz YUSNQCNOWQGHCK-QGZVFWFLSA-N 0 0 357.841 2.634 20 10 FFCDRN CCCNC(=O)c1cccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183452335 509798778 /nfs/dbraw/zinc/79/87/78/509798778.db2.gz RDWZGLPIFGWAKG-ZDUSSCGKSA-N 0 0 356.422 2.599 20 10 FFCDRN COc1cccc(CNC(=O)NCc2nnc(C(C)(C)C)s2)c1O ZINC000268338154 509876239 /nfs/dbraw/zinc/87/62/39/509876239.db2.gz OOUBPIBMBNLKRQ-UHFFFAOYSA-N 0 0 350.444 2.549 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3CSCCS3)CC2)cc1 ZINC000193519075 509947898 /nfs/dbraw/zinc/94/78/98/509947898.db2.gz RPBHBAUWSJABAT-INIZCTEOSA-N 0 0 352.525 2.583 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2cc(C)on2)c1O ZINC000177256401 509963117 /nfs/dbraw/zinc/96/31/17/509963117.db2.gz ZPZRMQOTPXXCAD-UHFFFAOYSA-N 0 0 351.790 2.615 20 10 FFCDRN Cc1cc(Br)cc(CN2CCC[C@H]2c2nncn2C)c1O ZINC000180561697 509984994 /nfs/dbraw/zinc/98/49/94/509984994.db2.gz GXEBLBJAQIQIPJ-ZDUSSCGKSA-N 0 0 351.248 2.929 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](O)c2cnn(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000268592535 510025933 /nfs/dbraw/zinc/02/59/33/510025933.db2.gz JZAGYHHYDNWYSY-GOSISDBHSA-N 0 0 372.856 2.944 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(N2CCCCC2)nc1 ZINC000268618684 510038415 /nfs/dbraw/zinc/03/84/15/510038415.db2.gz TXRRRDKRIMRBNA-UHFFFAOYSA-N 0 0 356.426 2.847 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](O)C2CCOCC2)c(C)n1-c1ccccc1C ZINC000265550076 510110508 /nfs/dbraw/zinc/11/05/08/510110508.db2.gz PTALOYXSRNUVBM-FQEVSTJZSA-N 0 0 356.466 2.920 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2COC3(CCOCC3)O2)c(C)n1-c1ccccc1 ZINC000180814612 510124480 /nfs/dbraw/zinc/12/44/80/510124480.db2.gz MIDHOOMOZBLMIP-GOSISDBHSA-N 0 0 370.449 2.746 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1C[S@](C)=O ZINC000194005198 510172500 /nfs/dbraw/zinc/17/25/00/510172500.db2.gz DRVWIBBDWIZAOT-YDBLSZJJSA-N 0 0 362.451 2.729 20 10 FFCDRN Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000184177433 510176399 /nfs/dbraw/zinc/17/63/99/510176399.db2.gz QXLNRAMDYGIOKV-UHFFFAOYSA-N 0 0 374.460 2.852 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c(O)c1O ZINC000177672088 510192812 /nfs/dbraw/zinc/19/28/12/510192812.db2.gz HTTMUPREDTWSQK-UHFFFAOYSA-N 0 0 368.433 2.749 20 10 FFCDRN Cn1nc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1OC(F)F ZINC000184226299 510203887 /nfs/dbraw/zinc/20/38/87/510203887.db2.gz LSYZWHRODHCRMQ-UHFFFAOYSA-N 0 0 350.369 2.552 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C)cc3F)cc2)CC1 ZINC000190583721 510222168 /nfs/dbraw/zinc/22/21/68/510222168.db2.gz FBJDTJSZCSJJBJ-UHFFFAOYSA-N 0 0 369.440 2.733 20 10 FFCDRN O=C(NCc1ccccc1O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000269153072 510260680 /nfs/dbraw/zinc/26/06/80/510260680.db2.gz QQCZJWWZJCOWBB-MRXNPFEDSA-N 0 0 353.422 2.953 20 10 FFCDRN COc1ccc(C(=O)CCCC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000269198344 510285717 /nfs/dbraw/zinc/28/57/17/510285717.db2.gz LKCMHWSVVXMVQQ-UHFFFAOYSA-N 0 0 357.406 2.818 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000181177693 510291886 /nfs/dbraw/zinc/29/18/86/510291886.db2.gz LDYSPIBQTMEZMT-HNNXBMFYSA-N 0 0 369.440 2.974 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000269208596 510292867 /nfs/dbraw/zinc/29/28/67/510292867.db2.gz ANRKAVACUFKORS-SFHVURJKSA-N 0 0 373.497 2.766 20 10 FFCDRN O=C(Cn1cc(-c2ccccc2)nn1)NCc1ccc(N2CCCC2)cc1 ZINC000177862897 510296335 /nfs/dbraw/zinc/29/63/35/510296335.db2.gz GWPPIXLWOQQGKQ-UHFFFAOYSA-N 0 0 361.449 2.862 20 10 FFCDRN COc1cc(C)c(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000187501509 510303657 /nfs/dbraw/zinc/30/36/57/510303657.db2.gz JBAJFESJWKTKHX-UHFFFAOYSA-N 0 0 373.428 2.806 20 10 FFCDRN CCOC(C)(C)CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000187638452 510366819 /nfs/dbraw/zinc/36/68/19/510366819.db2.gz ZICICNCVSDVRGR-UHFFFAOYSA-N 0 0 363.502 2.510 20 10 FFCDRN C[C@@H](CS(C)(=O)=O)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000174901924 510376305 /nfs/dbraw/zinc/37/63/05/510376305.db2.gz QNAAHDBUHNIPPU-AWEZNQCLSA-N 0 0 368.499 2.670 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000187684550 510387356 /nfs/dbraw/zinc/38/73/56/510387356.db2.gz NBEPOZIIMKXHDT-AWEZNQCLSA-N 0 0 364.405 2.903 20 10 FFCDRN CCCn1nc(C)c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C ZINC000178042170 510396604 /nfs/dbraw/zinc/39/66/04/510396604.db2.gz BPKXTUACOZREIW-UHFFFAOYSA-N 0 0 356.470 2.881 20 10 FFCDRN COc1cccc([C@@H](O)CNC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000171836444 510399204 /nfs/dbraw/zinc/39/92/04/510399204.db2.gz WODZAXKIEMDJQU-FQEVSTJZSA-N 0 0 369.465 2.828 20 10 FFCDRN COc1cc(O)c(CN2CCN([C@H](C)c3nccs3)CC2)cc1OC ZINC000184902403 510573116 /nfs/dbraw/zinc/57/31/16/510573116.db2.gz KFDQXYQPQPJXCC-CYBMUJFWSA-N 0 0 363.483 2.745 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)cc1F ZINC000194893087 510577109 /nfs/dbraw/zinc/57/71/09/510577109.db2.gz BQIDWMKZKVGOFA-IBGZPJMESA-N 0 0 369.440 2.813 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](O)c2cnn(C)c2)c(C)n1-c1ccccc1C ZINC000266455050 510597794 /nfs/dbraw/zinc/59/77/94/510597794.db2.gz CLOXPVZOGDFLCQ-LJQANCHMSA-N 0 0 352.438 2.599 20 10 FFCDRN CCC1(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)CCCC1 ZINC000188116951 510602466 /nfs/dbraw/zinc/60/24/66/510602466.db2.gz RYQNLYJOWZWUEW-UHFFFAOYSA-N 0 0 357.498 2.942 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)c1[O-] ZINC000269931337 510604003 /nfs/dbraw/zinc/60/40/03/510604003.db2.gz NDMYCOZCSCGTAK-GDBMZVCRSA-N 0 0 366.801 2.528 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)c3ccccc3)cc2)CC1 ZINC000188121069 510604801 /nfs/dbraw/zinc/60/48/01/510604801.db2.gz KYOSIBLHDBVTFB-QGZVFWFLSA-N 0 0 365.477 2.775 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc(N3CCOC3=O)ccc2C)c1O ZINC000266486986 510617697 /nfs/dbraw/zinc/61/76/97/510617697.db2.gz UUZLZOGAADOJAX-UHFFFAOYSA-N 0 0 371.393 2.988 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@](C)(O)C2CC2)cc1 ZINC000270097314 510674799 /nfs/dbraw/zinc/67/47/99/510674799.db2.gz PVBYRSWLNZWGNA-FPOVZHCZSA-N 0 0 360.498 2.811 20 10 FFCDRN C[C@@H]1CC[C@@H](CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)O1 ZINC000175543343 510676112 /nfs/dbraw/zinc/67/61/12/510676112.db2.gz PZMFNBPBTHIEHR-PBHICJAKSA-N 0 0 364.461 2.751 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC(C3(C)OCCO3)CC2)cc1F ZINC000270358003 510775868 /nfs/dbraw/zinc/77/58/68/510775868.db2.gz RANISBYFIMGFKG-UHFFFAOYSA-N 0 0 365.449 2.576 20 10 FFCDRN COc1ccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1O ZINC000178828362 510793478 /nfs/dbraw/zinc/79/34/78/510793478.db2.gz ISSILAMBBBHORM-WEVVVXLNSA-N 0 0 368.433 2.567 20 10 FFCDRN CC(=O)N(CCC(=O)NCc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000263725458 510812913 /nfs/dbraw/zinc/81/29/13/510812913.db2.gz QHHYPLKADVAUES-UHFFFAOYSA-N 0 0 353.466 2.808 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3CCC[C@@H]4OCC[C@H]43)CC2)cc1 ZINC000247360896 510858515 /nfs/dbraw/zinc/85/85/15/510858515.db2.gz KGGUPJBOCAGDHL-ZCNNSNEGSA-N 0 0 373.497 2.875 20 10 FFCDRN CCn1ncc2cc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c(C)nc21 ZINC000282212205 510888950 /nfs/dbraw/zinc/88/89/50/510888950.db2.gz HMGHBIHZDGFFRX-LLVKDONJSA-N 0 0 354.410 2.532 20 10 FFCDRN CSc1nnc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000275450326 510899635 /nfs/dbraw/zinc/89/96/35/510899635.db2.gz SKTDWRKTTBMSMJ-UHFFFAOYSA-N 0 0 351.501 2.668 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3cncs3)cc2F)C[C@H](C)O1 ZINC000275458799 510900883 /nfs/dbraw/zinc/90/08/83/510900883.db2.gz MHUPHQLJKQIJEX-BETUJISGSA-N 0 0 363.458 2.755 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(OC2COC2)cc1 ZINC000275494438 510900899 /nfs/dbraw/zinc/90/08/99/510900899.db2.gz RHRYKIRWPFDYAU-UHFFFAOYSA-N 0 0 369.421 2.961 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3ncn(C)n3)c2C)cc1 ZINC000275695921 510910775 /nfs/dbraw/zinc/91/07/75/510910775.db2.gz YDQMKWAMUFFYAE-CYBMUJFWSA-N 0 0 353.426 2.722 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ncnn1C ZINC000276522598 510940684 /nfs/dbraw/zinc/94/06/84/510940684.db2.gz ILZJQTFEWHJZIS-OAHLLOKOSA-N 0 0 356.474 2.612 20 10 FFCDRN CCNC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000276882024 510948201 /nfs/dbraw/zinc/94/82/01/510948201.db2.gz MVRKTZFUYDRVPJ-ZDUSSCGKSA-N 0 0 371.437 2.909 20 10 FFCDRN C[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863359 510948759 /nfs/dbraw/zinc/94/87/59/510948759.db2.gz CXPAHJXESJQDLV-XLKFXECMSA-N 0 0 365.302 2.505 20 10 FFCDRN Cn1ccc(/C=C/C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000277083932 510953514 /nfs/dbraw/zinc/95/35/14/510953514.db2.gz OVPOSYAKCXLGGS-QPJJXVBHSA-N 0 0 353.466 2.563 20 10 FFCDRN CC(C)(C)OC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc(Cl)c1[O-])C(=O)[O-] ZINC000277154465 510955657 /nfs/dbraw/zinc/95/56/57/510955657.db2.gz CUMAACVHOXEQDN-LLVKDONJSA-N 0 0 364.225 2.974 20 10 FFCDRN C[C@@H]1C[C@H](CNC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000277390091 510962164 /nfs/dbraw/zinc/96/21/64/510962164.db2.gz IZHOCZKMIYQNFY-GHMZBOCLSA-N 0 0 357.248 2.769 20 10 FFCDRN CC1(C)[C@H](NC(=O)NCc2cccc(Br)c2O)[C@H]2CCO[C@H]21 ZINC000277481216 510963294 /nfs/dbraw/zinc/96/32/94/510963294.db2.gz PQRDWTOOBRTYEF-LERXQTSPSA-N 0 0 369.259 2.767 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000277593500 510967846 /nfs/dbraw/zinc/96/78/46/510967846.db2.gz GYKOYJCVQGAZTP-UHFFFAOYSA-N 0 0 371.821 2.528 20 10 FFCDRN CCO[C@H]1C[C@@]2(NC(=O)N(Cc3ccc4c(c3)CCCN4C)C2=O)C1(C)C ZINC000277874703 510974948 /nfs/dbraw/zinc/97/49/48/510974948.db2.gz ONZMBUYMRRKBTI-UWJYYQICSA-N 0 0 371.481 2.695 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2c[nH]c(=O)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000277887247 510976413 /nfs/dbraw/zinc/97/64/13/510976413.db2.gz NCHBGRVFOWYGQD-UHFFFAOYSA-N 0 0 356.382 2.566 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278309724 510988211 /nfs/dbraw/zinc/98/82/11/510988211.db2.gz DVOHRAGTLPDWOI-DOTOQJQBSA-N 0 0 357.410 2.844 20 10 FFCDRN COc1cc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC000278416362 510992709 /nfs/dbraw/zinc/99/27/09/510992709.db2.gz SQKNXKQEVPZMBO-UHFFFAOYSA-N 0 0 355.438 2.633 20 10 FFCDRN C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)ccc1O ZINC000278450972 510994530 /nfs/dbraw/zinc/99/45/30/510994530.db2.gz LNQNXSXSOUXSJI-GFCCVEGCSA-N 0 0 355.276 2.670 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000278535971 510996652 /nfs/dbraw/zinc/99/66/52/510996652.db2.gz VZMUNIXBPAXQFF-AWEZNQCLSA-N 0 0 370.764 2.925 20 10 FFCDRN COc1c([O-])c(C[NH2+]CCCn2cnc3ccccc32)ccc1[N+](=O)[O-] ZINC000278561670 510998581 /nfs/dbraw/zinc/99/85/81/510998581.db2.gz BFYBAPKXGAWPNJ-UHFFFAOYSA-N 0 0 356.382 2.839 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@H]2CCc3ccccc32)cc1F ZINC000285758731 511013658 /nfs/dbraw/zinc/01/36/58/511013658.db2.gz QRUQASGFGBPDHR-SFHVURJKSA-N 0 0 369.440 2.654 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](COC)c1ccccc1 ZINC000285971859 511016709 /nfs/dbraw/zinc/01/67/09/511016709.db2.gz RNONMQYBXRBKBJ-GOSISDBHSA-N 0 0 370.449 2.635 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCOC[C@H]2CC(F)F)c([N+](=O)[O-])c1 ZINC000286298297 511022238 /nfs/dbraw/zinc/02/22/38/511022238.db2.gz HFTUAKRNXMFFDO-OGOUPESXSA-N 0 0 356.325 2.641 20 10 FFCDRN COCCc1ccnc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000286468404 511026112 /nfs/dbraw/zinc/02/61/12/511026112.db2.gz YGFBPJTWBHBFBY-QPJJXVBHSA-N 0 0 367.449 2.759 20 10 FFCDRN CC(C)[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nncn1C ZINC000286663395 511030625 /nfs/dbraw/zinc/03/06/25/511030625.db2.gz PAUWWVZPBIPKTA-KRWDZBQOSA-N 0 0 356.474 2.612 20 10 FFCDRN C[C@H]1OCC[C@]12CN(C(=O)NCc1ccc3c(c1)CCCN3C)C[C@@H](C)O2 ZINC000279311614 511040950 /nfs/dbraw/zinc/04/09/50/511040950.db2.gz OKACPBQHIHGDJX-ZOCZFRKYSA-N 0 0 373.497 2.547 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCOC[C@@H]3CC(F)F)ccc21 ZINC000287411879 511048217 /nfs/dbraw/zinc/04/82/17/511048217.db2.gz FGTKJDIOOLHVMP-HNNXBMFYSA-N 0 0 353.413 2.635 20 10 FFCDRN CCc1cccnc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000271027100 511061986 /nfs/dbraw/zinc/06/19/86/511061986.db2.gz KFCRWFRIGGKIDK-UHFFFAOYSA-N 0 0 353.466 2.783 20 10 FFCDRN COc1cccc([C@@H]2CN(Cc3cc(OC)c(OC)cc3O)CCO2)c1 ZINC000271078504 511076925 /nfs/dbraw/zinc/07/69/25/511076925.db2.gz HXPHUQAKGIRTLU-FQEVSTJZSA-N 0 0 359.422 2.992 20 10 FFCDRN Cc1ccn2ncc(C(=O)N(C)Cc3ccc(N4CCOCC4)cc3)c2c1 ZINC000271118347 511088923 /nfs/dbraw/zinc/08/89/23/511088923.db2.gz PAJNNOXSCUVCHI-UHFFFAOYSA-N 0 0 364.449 2.752 20 10 FFCDRN COc1c([O-])c(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000289350160 511099096 /nfs/dbraw/zinc/09/90/96/511099096.db2.gz IZEIMJSLRCRNNA-UHFFFAOYSA-N 0 0 361.354 2.892 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2COc3ccccc3O2)n1C ZINC000289539914 511103874 /nfs/dbraw/zinc/10/38/74/511103874.db2.gz RELPHVUKGILNHM-QGZVFWFLSA-N 0 0 352.394 2.670 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cnn4c3CCC4)cc2F)C[C@@H](C)O1 ZINC000294573804 511107892 /nfs/dbraw/zinc/10/78/92/511107892.db2.gz UQQLJEDPFBJMJN-ZIAGYGMSSA-N 0 0 372.444 2.512 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)c(O)c1O ZINC000282800275 511116400 /nfs/dbraw/zinc/11/64/00/511116400.db2.gz OBBABEZPQZHFPV-AWEZNQCLSA-N 0 0 355.438 2.959 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289866910 511117605 /nfs/dbraw/zinc/11/76/05/511117605.db2.gz VQDVDPUFIZLHOD-ONGXEEELSA-N 0 0 368.739 2.947 20 10 FFCDRN C[C@@H](NCc1ncnn1C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000282835832 511129340 /nfs/dbraw/zinc/12/93/40/511129340.db2.gz SLKXUNWUAVDHIQ-CQSZACIVSA-N 0 0 361.465 2.860 20 10 FFCDRN COCc1nc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cs1 ZINC000290829530 511151726 /nfs/dbraw/zinc/15/17/26/511151726.db2.gz CKSWVQYDQJXJRX-UHFFFAOYSA-N 0 0 361.467 2.873 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](n3cc(Cl)cn3)C2)cc1OC ZINC000290906170 511154544 /nfs/dbraw/zinc/15/45/44/511154544.db2.gz VUJHUSKPCAGYII-LLVKDONJSA-N 0 0 352.778 2.913 20 10 FFCDRN CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(C)c(O)c1O ZINC000271297554 511154768 /nfs/dbraw/zinc/15/47/68/511154768.db2.gz RPCDPGHFCDTRAI-UHFFFAOYSA-N 0 0 358.394 2.516 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(OC)nc1OC ZINC000291241290 511163217 /nfs/dbraw/zinc/16/32/17/511163217.db2.gz MXQHTOMEDLJVMO-UHFFFAOYSA-N 0 0 359.426 2.926 20 10 FFCDRN CC(C)(C)c1nnc(C(=O)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000283071379 511222975 /nfs/dbraw/zinc/22/29/75/511222975.db2.gz PTDRAPHTLOMQAY-UHFFFAOYSA-N 0 0 360.483 2.602 20 10 FFCDRN CN(Cc1cccs1)c1ccc(CN2CCS(=O)(=O)CC2)cc1 ZINC000294989610 511245495 /nfs/dbraw/zinc/24/54/95/511245495.db2.gz YBZRIKFUZAPLNW-UHFFFAOYSA-N 0 0 350.509 2.615 20 10 FFCDRN Cc1cc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c(C)s1 ZINC000283319669 511320160 /nfs/dbraw/zinc/32/01/60/511320160.db2.gz BYWMYGFWDZBCJT-ZDUSSCGKSA-N 0 0 359.495 2.925 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)C2=CCCCC2)cc1OC ZINC000295298199 511353781 /nfs/dbraw/zinc/35/37/81/511353781.db2.gz MBZNGXWDDJXWRJ-UHFFFAOYSA-N 0 0 374.484 2.656 20 10 FFCDRN CCS(=O)(=O)CCN(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280176902 511365069 /nfs/dbraw/zinc/36/50/69/511365069.db2.gz HGQNPNKELVGLTB-UHFFFAOYSA-N 0 0 352.422 2.638 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C[C@H]1CCCC1(F)F ZINC000295328908 511365118 /nfs/dbraw/zinc/36/51/18/511365118.db2.gz WYUMMXDGNJQNNS-GFCCVEGCSA-N 0 0 360.426 2.717 20 10 FFCDRN CCOc1ccc(O)c(CNc2ccc(C)c(N3C(=O)CNC3=O)c2)c1 ZINC000280217307 511379525 /nfs/dbraw/zinc/37/95/25/511379525.db2.gz IZZSGBAHOJEHQH-UHFFFAOYSA-N 0 0 355.394 2.768 20 10 FFCDRN CSCCONC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000280222358 511381619 /nfs/dbraw/zinc/38/16/19/511381619.db2.gz JQYDUDSGDXDVTF-BETUJISGSA-N 0 0 371.478 2.533 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1(COC)CCOCC1 ZINC000291903393 511384332 /nfs/dbraw/zinc/38/43/32/511384332.db2.gz JISATYPQXYWROS-UHFFFAOYSA-N 0 0 363.502 2.727 20 10 FFCDRN C[C@H]1OCC[C@@]12CN(C(=O)NCc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC000280233488 511385505 /nfs/dbraw/zinc/38/55/05/511385505.db2.gz XTZFOIROFPVPSU-CBGDNZLLSA-N 0 0 373.497 2.765 20 10 FFCDRN O=C(c1cnc(C2CC2)nc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000295389731 511387783 /nfs/dbraw/zinc/38/77/83/511387783.db2.gz YIMLXCRKLRBOFW-KRWDZBQOSA-N 0 0 353.422 2.881 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)N(C)Cc2ccc(F)cc2)s1 ZINC000295393865 511389748 /nfs/dbraw/zinc/38/97/48/511389748.db2.gz VKGKYZPVGDTFGL-UHFFFAOYSA-N 0 0 354.428 2.820 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccnc1OCC ZINC000283503952 511391189 /nfs/dbraw/zinc/39/11/89/511391189.db2.gz DWAKTCOTZVEKIJ-UHFFFAOYSA-N 0 0 371.437 2.953 20 10 FFCDRN COC(=O)CN(Cc1cnn(CC(F)F)c1)Cc1cc(Cl)ccc1O ZINC000295407090 511394083 /nfs/dbraw/zinc/39/40/83/511394083.db2.gz RHWHPUZTIHDQNN-UHFFFAOYSA-N 0 0 373.787 2.682 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000298758562 511401068 /nfs/dbraw/zinc/40/10/68/511401068.db2.gz JKOHCLZCNZAGTC-KRWDZBQOSA-N 0 0 357.406 2.628 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000298758569 511401467 /nfs/dbraw/zinc/40/14/67/511401467.db2.gz JKOHCLZCNZAGTC-QGZVFWFLSA-N 0 0 357.406 2.628 20 10 FFCDRN CSC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000291945229 511401637 /nfs/dbraw/zinc/40/16/37/511401637.db2.gz NBKILNUBSWSZQJ-QGZVFWFLSA-N 0 0 363.527 2.808 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc2n(n1)CCC2 ZINC000295446176 511408421 /nfs/dbraw/zinc/40/84/21/511408421.db2.gz XNVQDCSGFLJOSI-UHFFFAOYSA-N 0 0 364.243 2.960 20 10 FFCDRN COC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cnc1C ZINC000292020282 511433933 /nfs/dbraw/zinc/43/39/33/511433933.db2.gz ZYNRBGRNWRFDQT-UHFFFAOYSA-N 0 0 364.423 2.608 20 10 FFCDRN COC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC ZINC000280388961 511447488 /nfs/dbraw/zinc/44/74/88/511447488.db2.gz AERBOQQAXSLPKW-NSHDSACASA-N 0 0 374.393 2.646 20 10 FFCDRN CC(C)n1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000280403604 511453806 /nfs/dbraw/zinc/45/38/06/511453806.db2.gz RMYHVOXMGLHLIL-UHFFFAOYSA-N 0 0 369.469 2.660 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2)C2CC2)cc1F ZINC000283686935 511461857 /nfs/dbraw/zinc/46/18/57/511461857.db2.gz GRWPMWRGFSKARW-LJQANCHMSA-N 0 0 369.440 2.775 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@H](CNC(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000299020048 511486329 /nfs/dbraw/zinc/48/63/29/511486329.db2.gz LVYKMPNMIJEVBS-QGZVFWFLSA-N 0 0 368.481 2.923 20 10 FFCDRN CC(C)(C)OC(=O)NC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272373445 511492141 /nfs/dbraw/zinc/49/21/41/511492141.db2.gz DULYPKPIDMHSLI-FNORWQNLSA-N 0 0 362.426 2.627 20 10 FFCDRN COCCCOc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000272626042 511501522 /nfs/dbraw/zinc/50/15/22/511501522.db2.gz JNWSBHRXXFEHIN-VQHVLOKHSA-N 0 0 357.406 2.843 20 10 FFCDRN COCCOc1cc(C)ccc1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272650920 511502404 /nfs/dbraw/zinc/50/24/04/511502404.db2.gz MYRABSPJHFZCDJ-VMPITWQZSA-N 0 0 357.406 2.761 20 10 FFCDRN CCOC(=O)c1ccnc(N[C@@H](C)Cc2ccc(O)c(O)c2)c1[N+](=O)[O-] ZINC000273139335 511517493 /nfs/dbraw/zinc/51/74/93/511517493.db2.gz UBINUEDGBMKLMT-JTQLQIEISA-N 0 0 361.354 2.621 20 10 FFCDRN Cc1nnc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 ZINC000273455832 511526275 /nfs/dbraw/zinc/52/62/75/511526275.db2.gz MAROYSKNSWHIKD-GHMZBOCLSA-N 0 0 364.446 2.529 20 10 FFCDRN COc1ccc(CNC(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000365558908 511527677 /nfs/dbraw/zinc/52/76/77/511527677.db2.gz GHTJWHQSDWDKMN-CQSZACIVSA-N 0 0 373.428 2.866 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273478963 511527706 /nfs/dbraw/zinc/52/77/06/511527706.db2.gz LNEABFLYRLVZLH-KSSFIOAISA-N 0 0 368.433 2.631 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H](C)N[C@@H](CO)c2c(F)cccc2F)c1 ZINC000273536048 511531007 /nfs/dbraw/zinc/53/10/07/511531007.db2.gz XKJKFECOKREHBI-BMIGLBTASA-N 0 0 351.349 2.841 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc(-n3ccnc3)nc2)cc1 ZINC000363531443 511609707 /nfs/dbraw/zinc/60/97/07/511609707.db2.gz YFQQQYWDEMXDQR-UHFFFAOYSA-N 0 0 364.453 2.675 20 10 FFCDRN COC1CCN(c2ccc(CN3CC[S@](=O)C[C@H](C)C3)cc2)CC1 ZINC000296081540 511613073 /nfs/dbraw/zinc/61/30/73/511613073.db2.gz SLUZPRJUVRBVNP-GYCJOSAFSA-N 0 0 350.528 2.502 20 10 FFCDRN CC(C)(C(=O)NCCc1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1F ZINC000273811860 511617108 /nfs/dbraw/zinc/61/71/08/511617108.db2.gz DKEFYZXPPLYNQI-UHFFFAOYSA-N 0 0 362.357 2.782 20 10 FFCDRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2cccc(O)c2O)n1 ZINC000365752767 511637260 /nfs/dbraw/zinc/63/72/60/511637260.db2.gz ISMFYWUVOFSLAC-SNVBAGLBSA-N 0 0 355.350 2.647 20 10 FFCDRN CCO[C@@H]1C[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363619945 511662073 /nfs/dbraw/zinc/66/20/73/511662073.db2.gz LMGAXNDZVPGSLG-HZPDHXFCSA-N 0 0 354.397 2.798 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(-c2nc([C@H]3CCCCS3)no2)c1 ZINC000273962990 511671670 /nfs/dbraw/zinc/67/16/70/511671670.db2.gz JQUKXBHLSDVRGD-GFCCVEGCSA-N 0 0 355.441 2.772 20 10 FFCDRN CC(C)C[C@@]1(C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000296320138 511698053 /nfs/dbraw/zinc/69/80/53/511698053.db2.gz SUECASWEYRVUHN-QGZVFWFLSA-N 0 0 354.472 2.805 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2ccccn2)cc1 ZINC000284363850 511698321 /nfs/dbraw/zinc/69/83/21/511698321.db2.gz ZODJWJFXNISILU-INIZCTEOSA-N 0 0 368.481 2.764 20 10 FFCDRN COc1ncc(Cl)c(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000301698757 511699687 /nfs/dbraw/zinc/69/96/87/511699687.db2.gz OMGZARFMVFYUHP-UHFFFAOYSA-N 0 0 352.797 2.726 20 10 FFCDRN Cc1cc(N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n2ncnc2n1 ZINC000301872720 511702591 /nfs/dbraw/zinc/70/25/91/511702591.db2.gz XHSNKDVFBZVIAI-SFHVURJKSA-N 0 0 366.469 2.684 20 10 FFCDRN COC(=O)c1ccc(N2CCCN(c3ccc(OC)cc3)CC2)nc1C ZINC000301989301 511704939 /nfs/dbraw/zinc/70/49/39/511704939.db2.gz LSTWWZSGJFJNPU-UHFFFAOYSA-N 0 0 355.438 2.902 20 10 FFCDRN CCC1(CC)CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[S@]1=O ZINC000302222735 511708426 /nfs/dbraw/zinc/70/84/26/511708426.db2.gz OUUJLWJOQCKCTL-XMMPIXPASA-N 0 0 356.444 2.740 20 10 FFCDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N2CC=CC2)cc1 ZINC000302646757 511708925 /nfs/dbraw/zinc/70/89/25/511708925.db2.gz MJPICGDNRKNBHB-UHFFFAOYSA-N 0 0 373.434 2.987 20 10 FFCDRN Oc1ccc(Br)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000274228124 511760656 /nfs/dbraw/zinc/76/06/56/511760656.db2.gz DKHCHJVLCQICQR-UHFFFAOYSA-N 0 0 354.273 2.789 20 10 FFCDRN CC(C)Oc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000296539832 511788992 /nfs/dbraw/zinc/78/89/92/511788992.db2.gz LZRMBINEBSGCFQ-UHFFFAOYSA-N 0 0 373.428 2.934 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nnc(-c2ccsc2)o1 ZINC000363839895 511800044 /nfs/dbraw/zinc/80/00/44/511800044.db2.gz XCOIYERLBYXFFR-NSHDSACASA-N 0 0 373.434 2.889 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCCc3ncccc3C)CC2)cc1F ZINC000296778580 511893555 /nfs/dbraw/zinc/89/35/55/511893555.db2.gz PMNSYQIRHLKSHR-UHFFFAOYSA-N 0 0 372.444 2.612 20 10 FFCDRN COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nn1C ZINC000274913077 511985605 /nfs/dbraw/zinc/98/56/05/511985605.db2.gz UZHKFMXIXDLVDP-UHFFFAOYSA-N 0 0 370.375 2.699 20 10 FFCDRN C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274952519 511997031 /nfs/dbraw/zinc/99/70/31/511997031.db2.gz RSWMWKQZWHKUCD-OLZOCXBDSA-N 0 0 366.458 2.648 20 10 FFCDRN CC1(C)C[C@@H](O)CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000297084304 512012157 /nfs/dbraw/zinc/01/21/57/512012157.db2.gz WDWGHOQHJCQJPQ-MEQKGCOVSA-N 0 0 358.482 2.546 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N2CCc3cc(OC)ccc32)cn1 ZINC000275027970 512019813 /nfs/dbraw/zinc/01/98/13/512019813.db2.gz RRSSOYRNLBHPHS-UHFFFAOYSA-N 0 0 351.410 2.515 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)c(C)n1-c1ccccc1 ZINC000293656304 512041520 /nfs/dbraw/zinc/04/15/20/512041520.db2.gz HIKOGRNCEYKMAW-INIZCTEOSA-N 0 0 360.479 2.601 20 10 FFCDRN COc1ccccc1COC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000275100247 512041606 /nfs/dbraw/zinc/04/16/06/512041606.db2.gz IPFWSRWIMPBXBP-UHFFFAOYSA-N 0 0 357.406 2.928 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(Oc3cncc(Cl)n3)CC2)c(O)c1O ZINC000275166404 512061578 /nfs/dbraw/zinc/06/15/78/512061578.db2.gz VWGRCWQQWIJZDO-UHFFFAOYSA-N 0 0 363.801 2.533 20 10 FFCDRN CN(C[C@@H](O)Cc1ccccc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000297232428 512069822 /nfs/dbraw/zinc/06/98/22/512069822.db2.gz MLLPDQITRCFTMZ-NRFANRHFSA-N 0 0 365.477 2.808 20 10 FFCDRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N)cc1 ZINC000297249834 512076473 /nfs/dbraw/zinc/07/64/73/512076473.db2.gz QOEMITXJSUDKAC-AWEZNQCLSA-N 0 0 353.488 2.531 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCOC[C@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000364332876 512089730 /nfs/dbraw/zinc/08/97/30/512089730.db2.gz ZBTQLRWNHYYUNS-YERXGYGTSA-N 0 0 358.350 2.952 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC(c3cn[nH]c3)CC2)c([N+](=O)[O-])c1 ZINC000364365392 512101429 /nfs/dbraw/zinc/10/14/29/512101429.db2.gz XLPAOYIJTPQXLL-HWKANZROSA-N 0 0 356.382 2.888 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCC1(O)Cc2ccccc2C1 ZINC000369544672 512468101 /nfs/dbraw/zinc/46/81/01/512468101.db2.gz YQAFRDJNQNBSRN-UHFFFAOYSA-N 0 0 365.477 2.616 20 10 FFCDRN CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000375787559 512506293 /nfs/dbraw/zinc/50/62/93/512506293.db2.gz HEHLHYOQXFNHDL-RHSMWYFYSA-N 0 0 357.429 2.950 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@]2(CCCOC2)O1 ZINC000373805747 512513783 /nfs/dbraw/zinc/51/37/83/512513783.db2.gz PDTRWXRBAZCKTG-DYESRHJHSA-N 0 0 373.497 2.766 20 10 FFCDRN CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2F)CC1 ZINC000367526592 512543240 /nfs/dbraw/zinc/54/32/40/512543240.db2.gz JKRSOOLEZGNEIA-GOSISDBHSA-N 0 0 357.477 2.858 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@@H]2c2ncon2)cc1 ZINC000374292359 512749601 /nfs/dbraw/zinc/74/96/01/512749601.db2.gz CRXYJTCFZLEGRQ-QGZVFWFLSA-N 0 0 352.394 2.691 20 10 FFCDRN Cc1ccc(C2=NO[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)C2)cc1 ZINC000374479755 512851415 /nfs/dbraw/zinc/85/14/15/512851415.db2.gz QHEIPUAEFJLAQT-RDTXFTJFSA-N 0 0 352.390 2.729 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2cnn(C)c2)C1 ZINC000374700440 512961901 /nfs/dbraw/zinc/96/19/01/512961901.db2.gz ISLYFDXACOFDGC-KRWDZBQOSA-N 0 0 371.485 2.716 20 10 FFCDRN Cc1nnc2n1CCN(Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC000370563904 512994816 /nfs/dbraw/zinc/99/48/16/512994816.db2.gz PISHSKKICXXUOV-UHFFFAOYSA-N 0 0 350.422 2.887 20 10 FFCDRN C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1[O-] ZINC000368623468 513031063 /nfs/dbraw/zinc/03/10/63/513031063.db2.gz IVVSRDYSBIGDDR-CYBMUJFWSA-N 0 0 363.433 2.827 20 10 FFCDRN CC[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000376883854 513031312 /nfs/dbraw/zinc/03/13/12/513031312.db2.gz DLRRXQFJVRKTFW-CVEARBPZSA-N 0 0 352.862 2.866 20 10 FFCDRN COc1cccc(CNC(=O)N[C@H]2COc3cc(F)cc(F)c32)c1O ZINC000374960656 513089759 /nfs/dbraw/zinc/08/97/59/513089759.db2.gz DDZRDVNUOBSZPI-LBPRGKRZSA-N 0 0 350.321 2.612 20 10 FFCDRN CS(=O)(=O)c1cccnc1N1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000428127619 514403988 /nfs/dbraw/zinc/40/39/88/514403988.db2.gz GXOMBULQYMJGMQ-UHFFFAOYSA-N 0 0 354.435 2.655 20 10 FFCDRN COC(=O)c1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000450044686 514479325 /nfs/dbraw/zinc/47/93/25/514479325.db2.gz DXYDZTTWNIHWLB-UHFFFAOYSA-N 0 0 354.406 2.507 20 10 FFCDRN Cn1cc(-c2nn(C)cc2C(=O)N2CCCc3c(F)cc(F)cc32)cn1 ZINC000445587090 514496619 /nfs/dbraw/zinc/49/66/19/514496619.db2.gz IHYHOOCCVGYILF-UHFFFAOYSA-N 0 0 357.364 2.692 20 10 FFCDRN COCCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@@H]1CCOC1 ZINC000470575583 514534734 /nfs/dbraw/zinc/53/47/34/514534734.db2.gz XZPUNSBBVORFTQ-GOSISDBHSA-N 0 0 374.481 2.782 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](CO)Cc1ccccc1 ZINC000472219707 515173945 /nfs/dbraw/zinc/17/39/45/515173945.db2.gz HGPKCEANTZKONQ-KRWDZBQOSA-N 0 0 351.450 2.890 20 10 FFCDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC000468629062 515444893 /nfs/dbraw/zinc/44/48/93/515444893.db2.gz LKNLZSWIHDJALQ-GFCCVEGCSA-N 0 0 357.435 2.785 20 10 FFCDRN CSCCCCCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000510190734 515465035 /nfs/dbraw/zinc/46/50/35/515465035.db2.gz OKUZOQFWAHKNNX-UHFFFAOYSA-N 0 0 361.511 2.752 20 10 FFCDRN COC(=O)c1cc(C)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000457608107 516006781 /nfs/dbraw/zinc/00/67/81/516006781.db2.gz JKPOGFMDKHHLQY-UHFFFAOYSA-N 0 0 354.406 2.887 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000551895972 516938120 /nfs/dbraw/zinc/93/81/20/516938120.db2.gz SUQVEXOBUJOSRP-DBVUQKKJSA-N 0 0 371.481 2.558 20 10 FFCDRN C[C@@]1(Br)C[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000529169017 516977933 /nfs/dbraw/zinc/97/79/33/516977933.db2.gz HHRSPNPONAYVNW-PRHODGIISA-N 0 0 363.049 2.944 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@H](CC(C)C)C1 ZINC000568906321 519276436 /nfs/dbraw/zinc/27/64/36/519276436.db2.gz SQBPVKPGGVNMQB-MRXNPFEDSA-N 0 0 355.482 2.998 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ncc(OC)cn3)ccc21 ZINC000583760945 519420925 /nfs/dbraw/zinc/42/09/25/519420925.db2.gz AQJKXACDJOQWMI-UHFFFAOYSA-N 0 0 354.410 2.955 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N([C@H](C)C1CC1)C1CC1 ZINC000566357487 519452275 /nfs/dbraw/zinc/45/22/75/519452275.db2.gz ZCZWQPFSQYSGIP-CQSZACIVSA-N 0 0 353.466 2.892 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@H]2CCC[C@H]21 ZINC000581152155 519548164 /nfs/dbraw/zinc/54/81/64/519548164.db2.gz QVYSFKPUBZUOST-NVXWUHKLSA-N 0 0 353.466 2.894 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@@H]2CCC[C@@H]21 ZINC000581152156 519548572 /nfs/dbraw/zinc/54/85/72/519548572.db2.gz QVYSFKPUBZUOST-RDJZCZTQSA-N 0 0 353.466 2.894 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1 ZINC000057548413 536694331 /nfs/dbraw/zinc/69/43/31/536694331.db2.gz CJNJHPLXMIIIHN-UHFFFAOYSA-N 0 0 361.392 2.734 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cccc(-c3nn[nH]n3)c2)cc1F ZINC000736532428 598556689 /nfs/dbraw/zinc/55/66/89/598556689.db2.gz RMAMVHCZWGEWCU-UHFFFAOYSA-N 0 0 368.416 2.782 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=S)Nc2ccccc2-c2nn[nH]n2)c1 ZINC000737106596 598733323 /nfs/dbraw/zinc/73/33/23/598733323.db2.gz VQNFHDPJVAJQBP-JTQLQIEISA-N 0 0 370.438 2.629 20 10 FFCDRN CNC(=O)CC1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000830984250 600986551 /nfs/dbraw/zinc/98/65/51/600986551.db2.gz MRJMAGCRZZNATG-UHFFFAOYSA-N 0 0 356.422 2.592 20 10 FFCDRN O=C([O-])N1CCC([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000831948605 604200304 /nfs/dbraw/zinc/20/03/04/604200304.db2.gz YQQASXPRWNULIP-AWEZNQCLSA-N 0 0 369.412 2.989 20 10 FFCDRN C[C@H]([NH2+]C1CCC(NC(=O)[O-])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825472962 604355930 /nfs/dbraw/zinc/35/59/30/604355930.db2.gz MHGILTAZYHFAEV-JEYLPNPQSA-N 0 0 365.449 2.892 20 10 FFCDRN O=C([O-])N1CCC[C@@H]1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000834107363 605496387 /nfs/dbraw/zinc/49/63/87/605496387.db2.gz MRCIOWYXHOSMHG-HXUWFJFHSA-N 0 0 373.497 2.878 20 10 FFCDRN CCN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825367431 608005683 /nfs/dbraw/zinc/00/56/83/608005683.db2.gz PWGQBVWBPQBXJX-WMZJFQQLSA-N 0 0 354.801 2.981 20 10 FFCDRN C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cccc(Br)c1[O-] ZINC000825962132 608526383 /nfs/dbraw/zinc/52/63/83/608526383.db2.gz RTIYCJSPTVCEFA-UHFFFAOYSA-N 0 0 374.242 2.967 20 10 FFCDRN COc1ccc(N2CCC(Nc3nccc(C)c3-c3nn[nH]n3)CC2)cc1 ZINC000826209037 609545638 /nfs/dbraw/zinc/54/56/38/609545638.db2.gz KCYSVECHEOOZAW-UHFFFAOYSA-N 0 0 365.441 2.660 20 10 FFCDRN CCCNC(=O)[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000154587230 728807832 /nfs/dbraw/zinc/80/78/32/728807832.db2.gz ZJURBOHVFSAYCU-ZDUSSCGKSA-N 0 0 370.544 2.573 20 10 FFCDRN CCN(CCS(C)(=O)=O)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000156957966 728862686 /nfs/dbraw/zinc/86/26/86/728862686.db2.gz CVUXYCPGMQEQAQ-UHFFFAOYSA-N 0 0 351.468 2.884 20 10 FFCDRN C[C@H](Oc1ccccc1Br)C(=O)NCc1ccc(O)c(O)c1 ZINC000159025396 728899740 /nfs/dbraw/zinc/89/97/40/728899740.db2.gz BRLAPNAMINVFJL-JTQLQIEISA-N 0 0 366.211 2.944 20 10 FFCDRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(O)c(O)c1 ZINC000159079199 728900386 /nfs/dbraw/zinc/90/03/86/728900386.db2.gz FSHVQABTFCQPMH-JTQLQIEISA-N 0 0 366.211 2.944 20 10 FFCDRN COc1cccc(CNS(=O)(=O)Cc2cc(Cl)ccc2F)c1O ZINC000161098342 728928781 /nfs/dbraw/zinc/92/87/81/728928781.db2.gz XNNGGRTVUYYKCC-UHFFFAOYSA-N 0 0 359.806 2.813 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2CCS(=O)(=O)CC2)cc1 ZINC000161769775 728935937 /nfs/dbraw/zinc/93/59/37/728935937.db2.gz ILVISZOLUVVGKC-UHFFFAOYSA-N 0 0 360.479 2.649 20 10 FFCDRN CS[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000743554056 735305562 /nfs/dbraw/zinc/30/55/62/735305562.db2.gz WJQVEWXHOVPMIH-CABCVRRESA-N 0 0 367.490 2.746 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)COC[C@@H]1CCCO1 ZINC000743809158 735320660 /nfs/dbraw/zinc/32/06/60/735320660.db2.gz OFBCTFXNQCXJPA-AWEZNQCLSA-N 0 0 372.259 2.699 20 10 FFCDRN C[C@H](Cc1cccnc1)NC(=O)NCc1cc(Br)ccc1O ZINC000898320883 735341557 /nfs/dbraw/zinc/34/15/57/735341557.db2.gz OBDVGUVEQJEGOY-LLVKDONJSA-N 0 0 364.243 2.980 20 10 FFCDRN COc1ccc(CN2C[C@@H](C)N(CC(F)(F)F)[C@@H](C)C2)c(O)c1OC ZINC000898470986 735364641 /nfs/dbraw/zinc/36/46/41/735364641.db2.gz NYKHSRGYMKBMMF-TXEJJXNPSA-N 0 0 362.392 2.866 20 10 FFCDRN O=C(NCC1(O)CCC(F)(F)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000898983216 735429754 /nfs/dbraw/zinc/42/97/54/735429754.db2.gz QTIYZIQTLDZDLD-UHFFFAOYSA-N 0 0 357.378 2.983 20 10 FFCDRN CCc1onc(C)c1/C=C1\OCCn2c(C=O)c(Br)nc21 ZINC000899390526 735483602 /nfs/dbraw/zinc/48/36/02/735483602.db2.gz AWNWEEQECZHODU-SDQBBNPISA-N 0 0 352.188 2.845 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)c3ccccc3C)C2)cc1 ZINC000062575244 728133393 /nfs/dbraw/zinc/13/33/93/728133393.db2.gz YGWVTCKQZFJTRD-MRXNPFEDSA-N 0 0 360.479 2.808 20 10 FFCDRN C[C@H](NS(=O)(=O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000065277679 728156376 /nfs/dbraw/zinc/15/63/76/728156376.db2.gz WMLRVCIRNQTVQP-AWEZNQCLSA-N 0 0 364.442 2.702 20 10 FFCDRN O=C(CN(Cc1ccccc1O)C[C@@H]1CCCO1)NCc1cccs1 ZINC000070976210 728207450 /nfs/dbraw/zinc/20/74/50/728207450.db2.gz XHTBSASGBLTHFJ-INIZCTEOSA-N 0 0 360.479 2.751 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cn(Cc3cccs3)nn2)cc1F ZINC000079811178 728317956 /nfs/dbraw/zinc/31/79/56/728317956.db2.gz RLFDZJYNANAWLO-UHFFFAOYSA-N 0 0 359.430 2.523 20 10 FFCDRN CCCn1c(C)nn(CN2CCN(c3ccc(OC)cc3)CC2)c1=S ZINC000089649192 728444545 /nfs/dbraw/zinc/44/45/45/728444545.db2.gz WKWSKNGEWKTLIH-UHFFFAOYSA-N 0 0 361.515 2.921 20 10 FFCDRN CC(C)(C)OCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000746979603 735522089 /nfs/dbraw/zinc/52/20/89/735522089.db2.gz REKMCTDAGAEREM-INIZCTEOSA-N 0 0 350.459 2.898 20 10 FFCDRN O=C(NCCCSc1nccs1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000114376005 728559882 /nfs/dbraw/zinc/55/98/82/728559882.db2.gz IMLNUENRQORAPS-UHFFFAOYSA-N 0 0 374.491 2.925 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cn(-c3ccccc3Cl)nn2)c1 ZINC000114541943 728561300 /nfs/dbraw/zinc/56/13/00/728561300.db2.gz PSLIXCMFWJSTQY-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCCOc2ccc(Cl)cc2)c1 ZINC000114583953 728561667 /nfs/dbraw/zinc/56/16/67/728561667.db2.gz DRSCZRYPPABSDM-UHFFFAOYSA-N 0 0 350.802 2.932 20 10 FFCDRN CN(C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000114934562 728563244 /nfs/dbraw/zinc/56/32/44/728563244.db2.gz AZQOUPVRNAFPAG-UHFFFAOYSA-N 0 0 357.376 2.846 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)Cc2cccc3cccnc32)cc1 ZINC000117904327 728579588 /nfs/dbraw/zinc/57/95/88/728579588.db2.gz URCIWONEHDZHRF-UHFFFAOYSA-N 0 0 355.463 2.920 20 10 FFCDRN COc1ccc(Cl)cc1CNC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000121327053 728624519 /nfs/dbraw/zinc/62/45/19/728624519.db2.gz UMWQEWFRPYQNBD-UHFFFAOYSA-N 0 0 362.813 2.830 20 10 FFCDRN Cc1ccc(Cl)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000123907300 728664194 /nfs/dbraw/zinc/66/41/94/728664194.db2.gz JVBXXNNAHXLRSW-UHFFFAOYSA-N 0 0 374.871 2.821 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCc3scnc3C)CC2)cc1F ZINC000124822957 728674958 /nfs/dbraw/zinc/67/49/58/728674958.db2.gz ZFGIHGBTEQHQHP-UHFFFAOYSA-N 0 0 364.446 2.631 20 10 FFCDRN COc1cc(N(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000125718325 728686647 /nfs/dbraw/zinc/68/66/47/728686647.db2.gz UPANAOKAWGMAKV-DZGCQCFKSA-N 0 0 350.459 2.844 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCOC[C@@H]1C1CC1 ZINC000128411475 728708710 /nfs/dbraw/zinc/70/87/10/728708710.db2.gz UZVYUVKXAGTLFJ-QGZVFWFLSA-N 0 0 357.479 2.817 20 10 FFCDRN O=C(NCc1ccccc1O)c1ccc(I)cc1 ZINC000133787916 728727814 /nfs/dbraw/zinc/72/78/14/728727814.db2.gz UYJYWCJUJSTAFZ-UHFFFAOYSA-N 0 0 353.159 2.927 20 10 FFCDRN O=C(NCc1ccccc1O)c1ccccc1I ZINC000133783350 728727841 /nfs/dbraw/zinc/72/78/41/728727841.db2.gz HAKIXEOCVTUMME-UHFFFAOYSA-N 0 0 353.159 2.927 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1 ZINC000150880581 728743611 /nfs/dbraw/zinc/74/36/11/728743611.db2.gz LVQJMUNDSXOMAD-UHFFFAOYSA-N 0 0 366.414 2.740 20 10 FFCDRN CCC[C@H](C)CS(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151256790 728744751 /nfs/dbraw/zinc/74/47/51/728744751.db2.gz XGFMIQQMQCPMGN-AWEZNQCLSA-N 0 0 372.506 2.642 20 10 FFCDRN C[C@H]1CCN(C)c2ccccc2N1S(=O)(=O)c1cccc2nonc21 ZINC000151761759 728746727 /nfs/dbraw/zinc/74/67/27/728746727.db2.gz CSLIALPCBUFKQW-LBPRGKRZSA-N 0 0 358.423 2.647 20 10 FFCDRN COC(=O)c1cc(S(=O)(=O)[N-]c2nc(-c3ccco3)cs2)c(C)o1 ZINC000163170880 728954099 /nfs/dbraw/zinc/95/40/99/728954099.db2.gz DPLWKXKJXNMKNA-UHFFFAOYSA-N 0 0 368.392 2.892 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2csc(-c3cnccn3)n2)c1 ZINC000170900418 728991624 /nfs/dbraw/zinc/99/16/24/728991624.db2.gz PCSUGALXZWXSGH-SNVBAGLBSA-N 0 0 356.407 2.805 20 10 FFCDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCCCSc1nccs1 ZINC000173702441 729052541 /nfs/dbraw/zinc/05/25/41/729052541.db2.gz NTFJMZKSFGXTSC-NSHDSACASA-N 0 0 352.529 2.971 20 10 FFCDRN O=C(Nc1nncs1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174132397 729063827 /nfs/dbraw/zinc/06/38/27/729063827.db2.gz BBGRCZKCXJOQLH-SNVBAGLBSA-N 0 0 369.397 2.930 20 10 FFCDRN O=S(=O)(CCCF)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000175595429 729098810 /nfs/dbraw/zinc/09/88/10/729098810.db2.gz UCTXUHPQTUSUJT-GFCCVEGCSA-N 0 0 366.405 2.536 20 10 FFCDRN CCCNC(=O)C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000177851812 729148094 /nfs/dbraw/zinc/14/80/94/729148094.db2.gz SOKAOUKMDREQGE-UHFFFAOYSA-N 0 0 370.544 2.573 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1nc(C(F)(F)F)cs1 ZINC000180829314 729226116 /nfs/dbraw/zinc/22/61/16/729226116.db2.gz XOOSAVKQJOIPNR-DUXPYHPUSA-N 0 0 358.341 2.945 20 10 FFCDRN COc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(Br)c1 ZINC000778917122 738421002 /nfs/dbraw/zinc/42/10/02/738421002.db2.gz XZEMTMAFQBQYFA-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN Cc1cc(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)ccc1O ZINC000182410019 729276999 /nfs/dbraw/zinc/27/69/99/729276999.db2.gz ZUEVQHRSPFQRMS-UHFFFAOYSA-N 0 0 362.329 2.838 20 10 FFCDRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N(C)Cc1ccccc1O ZINC000182688531 729284595 /nfs/dbraw/zinc/28/45/95/729284595.db2.gz XHEKYCWMWSIFBW-UHFFFAOYSA-N 0 0 351.472 2.682 20 10 FFCDRN Cc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c(C)c1O ZINC000187059537 729372179 /nfs/dbraw/zinc/37/21/79/729372179.db2.gz YXVPSEPAXRJVOX-UHFFFAOYSA-N 0 0 362.407 2.563 20 10 FFCDRN CO[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC[C@@H]1C ZINC000187408555 729375647 /nfs/dbraw/zinc/37/56/47/729375647.db2.gz QAIPASXHNFAYNC-YJBOKZPZSA-N 0 0 363.527 2.806 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1c[nH]cn1 ZINC000189284085 729398182 /nfs/dbraw/zinc/39/81/82/729398182.db2.gz RYBOCQKVELONAN-UHFFFAOYSA-N 0 0 352.232 2.859 20 10 FFCDRN COc1cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1F ZINC000190462958 729408610 /nfs/dbraw/zinc/40/86/10/729408610.db2.gz XLUJKOJGNVKOJY-UHFFFAOYSA-N 0 0 352.431 2.721 20 10 FFCDRN CO[C@@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000190629550 729409719 /nfs/dbraw/zinc/40/97/19/729409719.db2.gz UWMNYZNVWONTQF-QWHCGFSZSA-N 0 0 357.401 2.591 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSC[C@H]3CCCCO3)CC2)cc1 ZINC000193175829 729470778 /nfs/dbraw/zinc/47/07/78/729470778.db2.gz FIGJPHWJOGMLFQ-GOSISDBHSA-N 0 0 364.511 2.646 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSC[C@@H]3CCCCO3)CC2)cc1 ZINC000193175815 729470813 /nfs/dbraw/zinc/47/08/13/729470813.db2.gz FIGJPHWJOGMLFQ-SFHVURJKSA-N 0 0 364.511 2.646 20 10 FFCDRN O=C1N[C@H](c2cc(Cl)ccc2O)Nc2ccc(N3CCOCC3)cc21 ZINC000193506008 729481287 /nfs/dbraw/zinc/48/12/87/729481287.db2.gz UYHXEIAFCVYJDI-QGZVFWFLSA-N 0 0 359.813 2.736 20 10 FFCDRN CN(C)Cc1csc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000924761121 738445209 /nfs/dbraw/zinc/44/52/09/738445209.db2.gz OLQAOUWCUTYITP-UHFFFAOYSA-N 0 0 361.515 2.612 20 10 FFCDRN CO[C@@H]1CCC[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761207665 736707886 /nfs/dbraw/zinc/70/78/86/736707886.db2.gz HIXHMHOMHFUCNY-XHDPSFHLSA-N 0 0 352.818 2.625 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000779498000 738468140 /nfs/dbraw/zinc/46/81/40/738468140.db2.gz FTUUYWOCOIXMPG-ONNFQVAWSA-N 0 0 362.407 2.511 20 10 FFCDRN COC(=O)c1cc(C(C)(C)NCc2c(O)cccc2Br)no1 ZINC000858165427 730418477 /nfs/dbraw/zinc/41/84/77/730418477.db2.gz IHUABLHIYKLHKG-UHFFFAOYSA-N 0 0 369.215 2.954 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000858508941 730427584 /nfs/dbraw/zinc/42/75/84/730427584.db2.gz SHTPWHJSRHLGAO-CHWSQXEVSA-N 0 0 351.447 2.802 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCCN1CC(F)F ZINC000858746870 730432735 /nfs/dbraw/zinc/43/27/35/730432735.db2.gz IVNKHAQQNLTHTN-MRXNPFEDSA-N 0 0 354.445 2.590 20 10 FFCDRN COC(=O)CC(C)(C)CNC(=O)NCc1cccc(Br)c1O ZINC000925002370 738470131 /nfs/dbraw/zinc/47/01/31/738470131.db2.gz KGJRZERTZMISHX-UHFFFAOYSA-N 0 0 373.247 2.543 20 10 FFCDRN Cc1cc(CNS(=O)(=O)c2cnn(C)c2C)c(C)n1-c1ccccc1 ZINC000859362672 730452077 /nfs/dbraw/zinc/45/20/77/730452077.db2.gz HCIHUJIAIVMBOQ-UHFFFAOYSA-N 0 0 358.467 2.615 20 10 FFCDRN CCc1[nH]nc(Cl)c1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000859966430 730470743 /nfs/dbraw/zinc/47/07/43/730470743.db2.gz VYJGHSAFLNPOFL-UHFFFAOYSA-N 0 0 366.824 2.736 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(Cl)nn(C)c3Cl)C2)cc1 ZINC000862158142 730672188 /nfs/dbraw/zinc/67/21/88/730672188.db2.gz CDCFINDNBVRDOB-JTQLQIEISA-N 0 0 369.252 2.744 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@@]3(C)Br)C2)cc1 ZINC000862159068 730672366 /nfs/dbraw/zinc/67/23/66/730672366.db2.gz NZRFSSNLTVVUKX-SGIREYDYSA-N 0 0 353.260 2.564 20 10 FFCDRN O=S1(=O)CCN(Cc2c(O)cccc2Br)[C@H]2CCCC[C@H]21 ZINC000862244045 730680678 /nfs/dbraw/zinc/68/06/78/730680678.db2.gz VGLYQCDMEMRCKX-DZGCQCFKSA-N 0 0 374.300 2.696 20 10 FFCDRN CCS(=O)(=O)C1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862350123 730690630 /nfs/dbraw/zinc/69/06/30/730690630.db2.gz HTVMMSDOTVSQHV-UHFFFAOYSA-N 0 0 362.289 2.554 20 10 FFCDRN O=C1CN(Cc2c(O)cccc2Br)CN1CCC(F)(F)F ZINC000862384149 730694954 /nfs/dbraw/zinc/69/49/54/730694954.db2.gz PIEAVROALGTAOA-UHFFFAOYSA-N 0 0 367.165 2.709 20 10 FFCDRN COC(=O)[C@]1(OC)CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000862739949 730722770 /nfs/dbraw/zinc/72/27/70/730722770.db2.gz CYVLTQRGESLURM-SFHVURJKSA-N 0 0 362.451 2.560 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)CCC(=O)N2CCc3sccc3C2)c1 ZINC000862758811 730723641 /nfs/dbraw/zinc/72/36/41/730723641.db2.gz MDHLFDIHFMYPMG-UHFFFAOYSA-N 0 0 358.463 2.743 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000862756394 730723684 /nfs/dbraw/zinc/72/36/84/730723684.db2.gz XAAVNTMVXXQFFY-OAHLLOKOSA-N 0 0 352.406 2.522 20 10 FFCDRN Cc1cc(CNC(=O)[C@H]2CCCS2(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000863159828 730753172 /nfs/dbraw/zinc/75/31/72/730753172.db2.gz GACJQKOYZULDHK-GOSISDBHSA-N 0 0 360.479 2.596 20 10 FFCDRN Cc1cc(CNC(=O)C2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000863165949 730753485 /nfs/dbraw/zinc/75/34/85/730753485.db2.gz QKLPIQCVHKFMHC-UHFFFAOYSA-N 0 0 360.479 2.535 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1[nH]ncc1C(F)(F)F ZINC000864919483 730891675 /nfs/dbraw/zinc/89/16/75/730891675.db2.gz XFNFCEWDPJLMBG-UHFFFAOYSA-N 0 0 370.400 2.912 20 10 FFCDRN COc1ccc(N2CCC(NC(=S)NCc3cc(C)on3)CC2)cc1 ZINC000865230529 730926506 /nfs/dbraw/zinc/92/65/06/730926506.db2.gz LPVOTZZIIARMQI-UHFFFAOYSA-N 0 0 360.483 2.625 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)CCNC(=O)C(F)(F)F ZINC000865348656 730944840 /nfs/dbraw/zinc/94/48/40/730944840.db2.gz YHPJPMBKSHARAM-UHFFFAOYSA-N 0 0 371.384 2.817 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000865780613 730996772 /nfs/dbraw/zinc/99/67/72/730996772.db2.gz OFHKLFHQUQLADK-ZDUSSCGKSA-N 0 0 356.260 2.830 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)Cc3ccc(F)cc3F)ccc21 ZINC000779888738 738493850 /nfs/dbraw/zinc/49/38/50/738493850.db2.gz KXXNVBPSSUPVCV-UHFFFAOYSA-N 0 0 366.433 2.967 20 10 FFCDRN C[C@H]1C[C@H]1c1noc(C(=O)NCc2cccc(Br)c2O)n1 ZINC000865984426 731018536 /nfs/dbraw/zinc/01/85/36/731018536.db2.gz GZMYFNKETXYJNZ-IONNQARKSA-N 0 0 352.188 2.591 20 10 FFCDRN CC(C)(C)c1nnc(C(=O)NCc2cccc(Br)c2O)o1 ZINC000865984534 731018667 /nfs/dbraw/zinc/01/86/67/731018667.db2.gz KBUHRBPJIARZEV-UHFFFAOYSA-N 0 0 354.204 2.765 20 10 FFCDRN Cc1nc([C@@H]2CCOC2)sc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000867301615 731167494 /nfs/dbraw/zinc/16/74/94/731167494.db2.gz CDZSBYVUJKXFCG-GXFFZTMASA-N 0 0 362.451 2.728 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(C(F)F)o3)C2)cc1 ZINC000867496468 731191925 /nfs/dbraw/zinc/19/19/25/731191925.db2.gz CYTSKDRSTNWLPM-LLVKDONJSA-N 0 0 372.393 2.783 20 10 FFCDRN COc1cc(Cl)c(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC000867690577 731213761 /nfs/dbraw/zinc/21/37/61/731213761.db2.gz JDLYIOZMQGUGRA-UHFFFAOYSA-N 0 0 369.826 2.767 20 10 FFCDRN O=C(CCCOC1CCOCC1)NCc1cc(Br)ccc1O ZINC000868306928 731279822 /nfs/dbraw/zinc/27/98/22/731279822.db2.gz HMXAENYYBFFACG-UHFFFAOYSA-N 0 0 372.259 2.747 20 10 FFCDRN O=C(CC(F)(F)C(F)(F)F)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869295329 731384154 /nfs/dbraw/zinc/38/41/54/731384154.db2.gz ROXDKGRSHDDKJC-UHFFFAOYSA-N 0 0 366.330 2.852 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cncc(Cl)c3)CC2)c(OC)c1 ZINC000870166245 731478323 /nfs/dbraw/zinc/47/83/23/731478323.db2.gz XCFWBDJMKFRFCB-UHFFFAOYSA-N 0 0 361.829 2.715 20 10 FFCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc2c(c1)nnn2C ZINC000872359191 731755807 /nfs/dbraw/zinc/75/58/07/731755807.db2.gz VDEPXQOWTNZWCT-UHFFFAOYSA-N 0 0 360.439 2.907 20 10 FFCDRN COc1ccc(N2CCN(Cn3cc(C)cnc3=S)CC2)c(OC)c1 ZINC000872706792 731817558 /nfs/dbraw/zinc/81/75/58/731817558.db2.gz HVHWJIJZYZVFCO-UHFFFAOYSA-N 0 0 360.483 2.718 20 10 FFCDRN COC(=O)CC[C@H]1CCCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000872748771 731825673 /nfs/dbraw/zinc/82/56/73/731825673.db2.gz WTZXYCSNYKBKIL-GFCCVEGCSA-N 0 0 352.387 2.782 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)C2(C)CC(F)(F)C2)cc1 ZINC000873439272 731915228 /nfs/dbraw/zinc/91/52/28/731915228.db2.gz BTJBRRWJVUUOCQ-UHFFFAOYSA-N 0 0 354.397 2.690 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@H]1CCCS1(=O)=O ZINC000873862827 731974386 /nfs/dbraw/zinc/97/43/86/731974386.db2.gz YOSVHHLWLLKWIJ-GOSISDBHSA-N 0 0 364.511 2.603 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1[C@@H]2CCCO[C@H]12 ZINC000780595378 738560086 /nfs/dbraw/zinc/56/00/86/738560086.db2.gz UNZOEGKKBZCXCS-CFVMTHIKSA-N 0 0 354.244 2.928 20 10 FFCDRN C[C@]12CCCC[C@H]1CN2C(=O)C(=O)NCCCSc1nccs1 ZINC000875218706 732136110 /nfs/dbraw/zinc/13/61/10/732136110.db2.gz GSYNWEZCQHPNKA-LRDDRELGSA-N 0 0 353.513 2.533 20 10 FFCDRN CN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)nn1 ZINC000875323685 732144102 /nfs/dbraw/zinc/14/41/02/732144102.db2.gz QKGSMQUBKKAGQP-LLVKDONJSA-N 0 0 352.822 2.706 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)Cc3ccns3)C2)cc1 ZINC000875680902 732179982 /nfs/dbraw/zinc/17/99/82/732179982.db2.gz ZGQLOHAJRXVMNH-AWEZNQCLSA-N 0 0 360.483 2.820 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CC(C)=NO1 ZINC000875970490 732204389 /nfs/dbraw/zinc/20/43/89/732204389.db2.gz AIDVHZPWHCWUHK-CYBMUJFWSA-N 0 0 370.247 2.851 20 10 FFCDRN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876642871 732264477 /nfs/dbraw/zinc/26/44/77/732264477.db2.gz OFEWXBILFJEAAD-SNVBAGLBSA-N 0 0 356.394 2.511 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](CO)c2ccc(Br)cc2)c(O)c1O ZINC000781014317 738593784 /nfs/dbraw/zinc/59/37/84/738593784.db2.gz IVKFYDVLDMWSEL-ZDUSSCGKSA-N 0 0 366.211 2.632 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000877002669 732310477 /nfs/dbraw/zinc/31/04/77/732310477.db2.gz BUOHFOLVJNSDBE-NSHDSACASA-N 0 0 370.421 2.772 20 10 FFCDRN CCN(CC)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877078988 732321899 /nfs/dbraw/zinc/32/18/99/732321899.db2.gz MQMCSGWNWMHAGO-UHFFFAOYSA-N 0 0 361.467 2.576 20 10 FFCDRN O=C1[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCN1Cc1ccc(F)cc1 ZINC000877473970 732367761 /nfs/dbraw/zinc/36/77/61/732367761.db2.gz PGOFOGGXSWOBTO-OAHLLOKOSA-N 0 0 350.340 2.700 20 10 FFCDRN COc1cc(Cl)cc(C[N@@H+]2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1O ZINC000877774994 732427759 /nfs/dbraw/zinc/42/77/59/732427759.db2.gz IERSZHZGVQIENR-CQSZACIVSA-N 0 0 366.767 2.697 20 10 FFCDRN Cc1cnc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000878313324 732513336 /nfs/dbraw/zinc/51/33/36/732513336.db2.gz XMTVUXIGOBWSSN-UHFFFAOYSA-N 0 0 363.820 2.949 20 10 FFCDRN C[C@@H](NC(=O)c1cc(C(F)F)n[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000878437902 732531944 /nfs/dbraw/zinc/53/19/44/732531944.db2.gz UZHRQFFSEJWKFQ-LLVKDONJSA-N 0 0 350.369 2.675 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2cccc(O)c2O)CC1 ZINC000781362909 738621204 /nfs/dbraw/zinc/62/12/04/738621204.db2.gz YEJLFDKHSLXHDZ-GFCCVEGCSA-N 0 0 350.415 2.617 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@@H](OC(F)F)C3)ccc21 ZINC000781375783 738622094 /nfs/dbraw/zinc/62/20/94/738622094.db2.gz MYALLFNVYOJYAD-OAHLLOKOSA-N 0 0 353.413 2.982 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cc(C)ns3)CC2)c(OC)c1 ZINC000878863807 732605510 /nfs/dbraw/zinc/60/55/10/732605510.db2.gz GPVZSOBVRVKDSH-UHFFFAOYSA-N 0 0 362.455 2.823 20 10 FFCDRN Cc1nc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cs1 ZINC000879018467 732632294 /nfs/dbraw/zinc/63/22/94/732632294.db2.gz VDKGRRFTZBRSJR-UHFFFAOYSA-N 0 0 360.483 2.982 20 10 FFCDRN Cc1cc(Br)c(O)c(CNc2nc(-c3nccn3C)no2)c1 ZINC000781559865 738636690 /nfs/dbraw/zinc/63/66/90/738636690.db2.gz LJKVQEHLEAHKGF-UHFFFAOYSA-N 0 0 364.203 2.859 20 10 FFCDRN Cc1cc(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)ccc1N1CCCCC1 ZINC000879935789 732805639 /nfs/dbraw/zinc/80/56/39/732805639.db2.gz BYSHFGPDMAZXLZ-RBUKOAKNSA-N 0 0 362.539 2.852 20 10 FFCDRN CN(C)C(=O)c1ccc(NC(=O)NCCCSc2nccs2)nc1 ZINC000880602759 732931041 /nfs/dbraw/zinc/93/10/41/732931041.db2.gz BBIOHKHQAFPYHI-UHFFFAOYSA-N 0 0 365.484 2.544 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCC[C@H]2c2nncn2C)c1 ZINC000781907209 738670831 /nfs/dbraw/zinc/67/08/31/738670831.db2.gz GHFKERFVMLUQJC-ZDUSSCGKSA-N 0 0 351.248 2.929 20 10 FFCDRN C[C@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000926905421 738666886 /nfs/dbraw/zinc/66/68/86/738666886.db2.gz BLUBDRXMZAYWFX-NSHDSACASA-N 0 0 355.406 2.967 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCN(c3ncccn3)CC2)c1 ZINC000781894840 738668929 /nfs/dbraw/zinc/66/89/29/738668929.db2.gz MVYNZEZYYHETIA-UHFFFAOYSA-N 0 0 363.259 2.575 20 10 FFCDRN COC(=O)[C@H](COC(C)C)N(C)Cc1cc(C)cc(Br)c1O ZINC000781906735 738670176 /nfs/dbraw/zinc/67/01/76/738670176.db2.gz BELNLOPFZMLRGT-AWEZNQCLSA-N 0 0 374.275 2.862 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Cc2ccc(Br)cc2O)c1 ZINC000781930583 738673771 /nfs/dbraw/zinc/67/37/71/738673771.db2.gz WXFLVMPRRRRFHZ-UHFFFAOYSA-N 0 0 366.211 2.728 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2cc(OC)ns2)cc1 ZINC000881797321 733110418 /nfs/dbraw/zinc/11/04/18/733110418.db2.gz UFUOMGIRPJEQHG-UHFFFAOYSA-N 0 0 369.512 2.618 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cccnc1F ZINC000881803164 733111784 /nfs/dbraw/zinc/11/17/84/733111784.db2.gz MNMIJVNDJLRXEP-UHFFFAOYSA-N 0 0 351.447 2.886 20 10 FFCDRN O=C(c1ccc(NCCCSc2nccs2)nc1)N1CCOCC1 ZINC000881981604 733149588 /nfs/dbraw/zinc/14/95/88/733149588.db2.gz HABUXVMACPGKPB-UHFFFAOYSA-N 0 0 364.496 2.605 20 10 FFCDRN COc1ccc(N2CCN(c3ccnc(F)c3[N+](=O)[O-])CC2)cc1F ZINC000882074320 733166660 /nfs/dbraw/zinc/16/66/60/733166660.db2.gz OFWLBDMKVIGXDF-UHFFFAOYSA-N 0 0 350.325 2.603 20 10 FFCDRN CC(C)(C)S(=O)(=O)CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000882995492 733319459 /nfs/dbraw/zinc/31/94/59/733319459.db2.gz AIIGOEAICGKYPT-UHFFFAOYSA-N 0 0 368.268 2.597 20 10 FFCDRN COc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])c(OC)n1 ZINC000883123305 733339123 /nfs/dbraw/zinc/33/91/23/733339123.db2.gz UBNZKGKIYJSPCU-UHFFFAOYSA-N 0 0 371.206 2.996 20 10 FFCDRN C[C@@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000883198878 733350073 /nfs/dbraw/zinc/35/00/73/733350073.db2.gz ROHQWLRMENSTMM-NSHDSACASA-N 0 0 355.406 2.967 20 10 FFCDRN O=C(NCCc1ccns1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000883844479 733447777 /nfs/dbraw/zinc/44/77/77/733447777.db2.gz IDLMUYOQQCTAJQ-HNNXBMFYSA-N 0 0 361.467 2.782 20 10 FFCDRN C[C@H](NC(=O)N1C[C@@H]2CSC[C@@H]2C1)c1ccc(N2CCOCC2)cc1 ZINC000884095992 733478591 /nfs/dbraw/zinc/47/85/91/733478591.db2.gz GFXNBQUGPNVWQT-BHYGNILZSA-N 0 0 361.511 2.589 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3C[C@@H]4CSC[C@@H]4C3)C2)cc1 ZINC000884425346 733523478 /nfs/dbraw/zinc/52/34/78/733523478.db2.gz FMMPKXJWJACLJO-HRCADAONSA-N 0 0 361.511 2.526 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000782444080 738722545 /nfs/dbraw/zinc/72/25/45/738722545.db2.gz FYCLPPUDWGKIGA-UHFFFAOYSA-N 0 0 373.400 2.953 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H](CO)C[C@H]1CCCO1 ZINC000886220395 733761156 /nfs/dbraw/zinc/76/11/56/733761156.db2.gz HKUCNNLKIYXYQT-VXGBXAGGSA-N 0 0 364.667 2.828 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1c([O-])cccc1F ZINC000886589633 733806969 /nfs/dbraw/zinc/80/69/69/733806969.db2.gz ATLBZNBWLXDGIX-CYBMUJFWSA-N 0 0 364.442 2.922 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCCc2ccsc2)c1 ZINC000783132911 738782862 /nfs/dbraw/zinc/78/28/62/738782862.db2.gz NOVRAUONCARVNY-UHFFFAOYSA-N 0 0 355.437 2.615 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@H]2COC(C)(C)O2)cc1F ZINC000783226068 738792694 /nfs/dbraw/zinc/79/26/94/738792694.db2.gz ZUJTYRFDIARDNG-AWEZNQCLSA-N 0 0 353.438 2.623 20 10 FFCDRN CC(=O)N(CCc1ccccc1)CC(=O)NCc1cccc(Cl)c1O ZINC000890760315 734336672 /nfs/dbraw/zinc/33/66/72/734336672.db2.gz OGSIJUZENBRJRC-UHFFFAOYSA-N 0 0 360.841 2.753 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@]1(O)CCSC1 ZINC000708204247 734362552 /nfs/dbraw/zinc/36/25/52/734362552.db2.gz LYQCAIIQUWYKMH-GFCCVEGCSA-N 0 0 352.681 2.766 20 10 FFCDRN COc1ccc2cc(/C=C3\SC(=S)N(CC(N)=O)C3=O)ccc2c1 ZINC000727175447 734470223 /nfs/dbraw/zinc/47/02/23/734470223.db2.gz BOEJMIUKUXPIBO-AUWJEWJLSA-N 0 0 358.444 2.535 20 10 FFCDRN COC(=O)CN(Cc1cnn(C)c1C1CC1)Cc1cc(Cl)ccc1O ZINC000891992684 734504755 /nfs/dbraw/zinc/50/47/55/734504755.db2.gz NYDHTCISBWDHJS-UHFFFAOYSA-N 0 0 363.845 2.832 20 10 FFCDRN CCC(=O)N1CSC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000727987658 734510778 /nfs/dbraw/zinc/51/07/78/734510778.db2.gz YWGRVHQFYJQNBH-KRWDZBQOSA-N 0 0 361.511 2.555 20 10 FFCDRN Cc1cccc(-c2n[nH]cc2C=C2SC(N3CCOCC3)=NC2=O)c1 ZINC000728785711 734543876 /nfs/dbraw/zinc/54/38/76/734543876.db2.gz KQUKIZAAWHXFBF-XNTDXEJSSA-N 0 0 354.435 2.688 20 10 FFCDRN Cc1cc(CC(=O)N2CCNC(=O)[C@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC000729532651 734582773 /nfs/dbraw/zinc/58/27/73/734582773.db2.gz FWYCAIHHICMNTM-CQSZACIVSA-N 0 0 359.857 2.637 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCOC[C@H]2CCCO2)cc1F ZINC000731345891 734675132 /nfs/dbraw/zinc/67/51/32/734675132.db2.gz NILMFJGGGPKKTL-MRXNPFEDSA-N 0 0 352.450 2.874 20 10 FFCDRN C=CC(=O)NCCNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000732100545 734716611 /nfs/dbraw/zinc/71/66/11/734716611.db2.gz OEBUWABALLYOOW-UHFFFAOYSA-N 0 0 359.857 2.708 20 10 FFCDRN O=C(CCc1ccccc1)N1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000732271991 734729139 /nfs/dbraw/zinc/72/91/39/734729139.db2.gz CHCOPVNLYYZYDW-UHFFFAOYSA-N 0 0 358.463 2.807 20 10 FFCDRN CC[C@@]1(c2ccc(NC(=O)C3=CC(=O)CS3)cc2)CCC(=O)NC1=O ZINC000732276784 734729471 /nfs/dbraw/zinc/72/94/71/734729471.db2.gz QNPCUEUTRZUDLN-SFHVURJKSA-N 0 0 358.419 2.790 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2O)[C@]12CCCO2 ZINC000894191808 734815431 /nfs/dbraw/zinc/81/54/31/734815431.db2.gz DOLMGOMJOYDHBK-CKEIUWERSA-N 0 0 354.834 2.571 20 10 FFCDRN O=C(C[C@@H](O)c1ccc(Cl)cc1)OCC(=O)c1ccc(O)c(O)c1 ZINC000784000984 738854532 /nfs/dbraw/zinc/85/45/32/738854532.db2.gz XQERVZAZIKBYEC-CQSZACIVSA-N 0 0 350.754 2.601 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc2cncn21 ZINC000733887426 734856434 /nfs/dbraw/zinc/85/64/34/734856434.db2.gz AMXQQGMBTIANRA-UHFFFAOYSA-N 0 0 356.451 2.505 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc2nsnc21 ZINC000734503522 734900734 /nfs/dbraw/zinc/90/07/34/734900734.db2.gz RJDWORGHEFBNPO-UHFFFAOYSA-N 0 0 362.480 2.544 20 10 FFCDRN C[C@H]1CCC[C@H](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000734558769 734903075 /nfs/dbraw/zinc/90/30/75/734903075.db2.gz WVLXZWPFHPNADB-QWHCGFSZSA-N 0 0 354.472 2.710 20 10 FFCDRN COc1cc(C)cc(CNc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1O ZINC000894734247 734907288 /nfs/dbraw/zinc/90/72/88/734907288.db2.gz UNRYISKLMOKIIS-UHFFFAOYSA-N 0 0 364.467 2.880 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc(Cl)cn2)cc1 ZINC000736864536 734998513 /nfs/dbraw/zinc/99/85/13/734998513.db2.gz QQPQZMWTALAZFE-UHFFFAOYSA-N 0 0 361.829 2.616 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)N(C)CC3CC3)cc2)CC1 ZINC000738377204 735031188 /nfs/dbraw/zinc/03/11/88/735031188.db2.gz JHEOIEFWBJEJGY-UHFFFAOYSA-N 0 0 351.516 2.599 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1nn2c(c1Br)CCC2 ZINC000895755706 735052224 /nfs/dbraw/zinc/05/22/24/735052224.db2.gz MTHSXORWIMYQJI-UHFFFAOYSA-N 0 0 350.216 2.570 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@H]2C(F)(F)F)c(C)n1-c1ccccn1 ZINC000739752523 735058493 /nfs/dbraw/zinc/05/84/93/735058493.db2.gz VSQJFCNUHFMZIK-AWEZNQCLSA-N 0 0 353.344 2.892 20 10 FFCDRN CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)cc(OC)c1O ZINC000895862087 735066318 /nfs/dbraw/zinc/06/63/18/735066318.db2.gz BXJTXIZKQIHIAY-KGLIPLIRSA-N 0 0 357.834 2.645 20 10 FFCDRN COC(=O)[C@H]1CC12CCN(C(=O)c1cc3cc(O)c(O)cc3s1)CC2 ZINC000896363419 735145309 /nfs/dbraw/zinc/14/53/09/735145309.db2.gz XMPOCNFJSKPKBK-LLVKDONJSA-N 0 0 361.419 2.728 20 10 FFCDRN COc1c([O-])c(C[NH2+]CC[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000896810796 735184354 /nfs/dbraw/zinc/18/43/54/735184354.db2.gz CEGSYSLFDNFHHI-PWSUYJOCSA-N 0 0 364.320 2.899 20 10 FFCDRN CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000896814453 735184530 /nfs/dbraw/zinc/18/45/30/735184530.db2.gz OYCSFJZETGANEH-UHFFFAOYSA-N 0 0 357.834 2.921 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cncc(F)c3Cl)CC2)cc1F ZINC000896898757 735187261 /nfs/dbraw/zinc/18/72/61/735187261.db2.gz MGCLKBOPLWSMPC-UHFFFAOYSA-N 0 0 367.783 2.984 20 10 FFCDRN COc1cc(O)c(CN2CCn3c(cnc3C(F)(F)F)C2)cc1OC ZINC000896931661 735188571 /nfs/dbraw/zinc/18/85/71/735188571.db2.gz LFIYZPTWKWXCBO-UHFFFAOYSA-N 0 0 357.332 2.641 20 10 FFCDRN COc1cc(O)c(CN2CCn3nc(C(F)(F)F)cc3C2)cc1OC ZINC000896941983 735188905 /nfs/dbraw/zinc/18/89/05/735188905.db2.gz PPYYOUVXCUWQIU-UHFFFAOYSA-N 0 0 357.332 2.641 20 10 FFCDRN COCC1(c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)CC1 ZINC000897038926 735192799 /nfs/dbraw/zinc/19/27/99/735192799.db2.gz XKUBKHRIADGNPF-UHFFFAOYSA-N 0 0 355.419 2.631 20 10 FFCDRN CCOCCNC(=S)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743015674 735269975 /nfs/dbraw/zinc/26/99/75/735269975.db2.gz MULIDHXECOPVRY-CYBMUJFWSA-N 0 0 373.469 2.757 20 10 FFCDRN COC(=O)c1cnc(SC[C@H](O)COc2ccc3cc[nH]c3c2)s1 ZINC000899887336 735565514 /nfs/dbraw/zinc/56/55/14/735565514.db2.gz QXAIAJLWKXNNBY-LLVKDONJSA-N 0 0 364.448 2.943 20 10 FFCDRN COc1cc(C)[nH]c(=NNC(=S)Nc2ccc(OC(F)F)cc2)n1 ZINC000747654072 735578154 /nfs/dbraw/zinc/57/81/54/735578154.db2.gz JVVRBKQTDNUEBL-UHFFFAOYSA-N 0 0 355.370 2.709 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCOC12CCCC2 ZINC000900165693 735608303 /nfs/dbraw/zinc/60/83/03/735608303.db2.gz DHONOTYEAQIEFN-HNNXBMFYSA-N 0 0 364.829 2.912 20 10 FFCDRN CC(C)(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1nccs1 ZINC000900270142 735622246 /nfs/dbraw/zinc/62/22/46/735622246.db2.gz ZNEZVSMYTGSYPX-UHFFFAOYSA-N 0 0 363.458 2.713 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)S(C)(=O)=O ZINC000748742733 735667903 /nfs/dbraw/zinc/66/79/03/735667903.db2.gz HVLHOQIEEJNTAH-UHFFFAOYSA-N 0 0 354.497 2.709 20 10 FFCDRN Cc1cscc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000749353431 735716619 /nfs/dbraw/zinc/71/66/19/735716619.db2.gz XWSPCIOBBYEDHY-OAHLLOKOSA-N 0 0 357.479 2.688 20 10 FFCDRN COc1ccc(N2CCN(CCNc3nc(C(C)C)ns3)CC2)cc1 ZINC000750025670 735767319 /nfs/dbraw/zinc/76/73/19/735767319.db2.gz NLLOTZSIHPWZNU-UHFFFAOYSA-N 0 0 361.515 2.904 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@H]2c2cccs2)c1O ZINC000750053100 735768149 /nfs/dbraw/zinc/76/81/49/735768149.db2.gz GHIDSHVCGZXALB-OAHLLOKOSA-N 0 0 364.854 2.983 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000750055517 735768791 /nfs/dbraw/zinc/76/87/91/735768791.db2.gz CUZGCHOBIAWDJO-OAHLLOKOSA-N 0 0 369.845 2.791 20 10 FFCDRN COc1ccc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000751324481 735864100 /nfs/dbraw/zinc/86/41/00/735864100.db2.gz HEEKLAXCXAFAJJ-LBPRGKRZSA-N 0 0 351.424 2.757 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2cc(C)c(OC)c(C)c2)c1 ZINC000751415825 735871874 /nfs/dbraw/zinc/87/18/74/735871874.db2.gz YXDBZNRJQWFYEP-UHFFFAOYSA-N 0 0 351.424 2.505 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCCSC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000788363761 739237560 /nfs/dbraw/zinc/23/75/60/739237560.db2.gz KGUDNZWABTWGDY-CYBMUJFWSA-N 0 0 351.516 2.578 20 10 FFCDRN Cc1cc(C)n(CCOC(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000751935371 735937579 /nfs/dbraw/zinc/93/75/79/735937579.db2.gz AZMLABWEVCGDDN-UHFFFAOYSA-N 0 0 356.451 2.986 20 10 FFCDRN Cc1cc(C(=O)O[C@@H]2CC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccccn1 ZINC000752205969 735966261 /nfs/dbraw/zinc/96/62/61/735966261.db2.gz GMFUBOHVZVLWAR-CABCVRRESA-N 0 0 362.451 2.612 20 10 FFCDRN Cc1cc(Br)c(O)c(CNc2n[nH]cc2C(=O)N(C)C)c1 ZINC000902660682 735977937 /nfs/dbraw/zinc/97/79/37/735977937.db2.gz GAGBIEFWNNWZBU-UHFFFAOYSA-N 0 0 353.220 2.500 20 10 FFCDRN CCOC(=O)[C@H](CC1CC1)NCc1cc(Br)cc(OC)c1O ZINC000753569357 736078690 /nfs/dbraw/zinc/07/86/90/736078690.db2.gz ICXQXJDJFODKSC-ZDUSSCGKSA-N 0 0 372.259 2.985 20 10 FFCDRN COc1cc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)ccc1OCCO ZINC000790951275 739518219 /nfs/dbraw/zinc/51/82/19/739518219.db2.gz JGZWYKMZSRBELF-UHFFFAOYSA-N 0 0 355.793 2.854 20 10 FFCDRN CS(=O)(=O)c1cccc(NC(=O)NCCCSc2nccs2)c1 ZINC000753945248 736109143 /nfs/dbraw/zinc/10/91/43/736109143.db2.gz YJSBSZOKDCXSPG-UHFFFAOYSA-N 0 0 371.509 2.851 20 10 FFCDRN C[C@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756367414 736325236 /nfs/dbraw/zinc/32/52/36/736325236.db2.gz LHXMKPRNLJHDDS-MJBXVCDLSA-N 0 0 351.447 2.839 20 10 FFCDRN C[C@@H](NCc1nnnn1-c1ccccc1)c1ccc(Br)cc1O ZINC000756491333 736335999 /nfs/dbraw/zinc/33/59/99/736335999.db2.gz UXRYRSZFSOWZQM-LLVKDONJSA-N 0 0 374.242 2.981 20 10 FFCDRN CCc1nncn1CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756622287 736348053 /nfs/dbraw/zinc/34/80/53/736348053.db2.gz WADBCVQHWDLKKF-VIFPVBQESA-N 0 0 357.227 2.799 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756732008 736356275 /nfs/dbraw/zinc/35/62/75/736356275.db2.gz KLWDBPUTDJABSH-SZRLZVLASA-N 0 0 371.250 2.954 20 10 FFCDRN C[C@H]([NH2+]Cc1nnnn1C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756733036 736356323 /nfs/dbraw/zinc/35/63/23/736356323.db2.gz OOWTZZGOECZMAP-ZETCQYMHSA-N 0 0 372.654 2.980 20 10 FFCDRN C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Br)cc(Cl)c1[O-] ZINC000756768359 736360201 /nfs/dbraw/zinc/36/02/01/736360201.db2.gz DBWUXZMTLQSQQI-YUMQZZPRSA-N 0 0 370.696 2.892 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756776485 736360734 /nfs/dbraw/zinc/36/07/34/736360734.db2.gz ZOYJOQBSLGXTGU-KKFJDGPESA-N 0 0 359.239 2.859 20 10 FFCDRN OCC1(CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)COC1 ZINC000756944047 736375659 /nfs/dbraw/zinc/37/56/59/736375659.db2.gz VXUQQFRCSBUYDY-INIZCTEOSA-N 0 0 360.479 2.830 20 10 FFCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)C(=S)NC[C@H]1CCCCO1 ZINC000758176088 736459250 /nfs/dbraw/zinc/45/92/50/736459250.db2.gz OFMGIPZVRYCVMW-SJORKVTESA-N 0 0 364.511 2.817 20 10 FFCDRN COc1ccc(Cl)cc1NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O ZINC000758561955 736501880 /nfs/dbraw/zinc/50/18/80/736501880.db2.gz PFHPVDXNUWREOP-SECBINFHSA-N 0 0 365.769 2.944 20 10 FFCDRN COCCOc1ncccc1NC(=O)NCCCSc1nccs1 ZINC000758603306 736505194 /nfs/dbraw/zinc/50/51/94/736505194.db2.gz OTGKDRVFUZLEKP-UHFFFAOYSA-N 0 0 368.484 2.867 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)C1CCC(=O)CC1 ZINC000906818592 736547455 /nfs/dbraw/zinc/54/74/55/736547455.db2.gz KGBJWRHWRYSWBB-UHFFFAOYSA-N 0 0 364.511 2.950 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](O)C(Cl)(Cl)Cl)c1 ZINC000907062016 736578149 /nfs/dbraw/zinc/57/81/49/736578149.db2.gz ZZUONOJIIBCRSR-HQJQHLMTSA-N 0 0 356.633 2.699 20 10 FFCDRN CN(CCC(=O)OC(C)(C)C)C(=O)NCCCSc1nccs1 ZINC000759588818 736578887 /nfs/dbraw/zinc/57/88/87/736578887.db2.gz BTKKVOPANLFYJD-UHFFFAOYSA-N 0 0 359.517 2.999 20 10 FFCDRN CCN(C(C)=O)c1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)cs1 ZINC000759598674 736579738 /nfs/dbraw/zinc/57/97/38/736579738.db2.gz XDMDGQWQNASGTP-FNORWQNLSA-N 0 0 362.407 2.684 20 10 FFCDRN CO[C@@H](C)c1noc(CN(C)C(=O)NCCCSc2nccs2)n1 ZINC000759603578 736580408 /nfs/dbraw/zinc/58/04/08/736580408.db2.gz XUWKTWNRKKYVRJ-JTQLQIEISA-N 0 0 371.488 2.557 20 10 FFCDRN CSCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000760132020 736616902 /nfs/dbraw/zinc/61/69/02/736616902.db2.gz NUVFYAWATAIUKA-UHFFFAOYSA-N 0 0 366.464 2.879 20 10 FFCDRN CCO[C@@H](CC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)C(C)C ZINC000760729937 736663988 /nfs/dbraw/zinc/66/39/88/736663988.db2.gz CCIJRXUMFPZMNN-SFHVURJKSA-N 0 0 352.450 2.934 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)nn(CC(F)F)c2C)c1 ZINC000760918290 736679669 /nfs/dbraw/zinc/67/96/69/736679669.db2.gz KQLWYXPYVNPQNV-SECBINFHSA-N 0 0 353.369 2.970 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)N[C@@]3(CCSC3)C2=O)cc1F ZINC000761247766 736713372 /nfs/dbraw/zinc/71/33/72/736713372.db2.gz FGYMSJMKADKEAF-QGZVFWFLSA-N 0 0 351.447 2.599 20 10 FFCDRN C[C@@H](Cc1ccncc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761378185 736729008 /nfs/dbraw/zinc/72/90/08/736729008.db2.gz GYAYLYVAVSASNH-LBPRGKRZSA-N 0 0 359.813 2.836 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccn(-c2ccc(Cl)cc2)n1 ZINC000762261151 736808152 /nfs/dbraw/zinc/80/81/52/736808152.db2.gz IIXCXLNXKLYQLP-UHFFFAOYSA-N 0 0 357.797 2.909 20 10 FFCDRN CC(C)NS(=O)(=O)c1cccnc1NCCCSc1nccs1 ZINC000763037382 736894594 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COc1ccc(O)c(CNS(=O)(=O)C2=Cc3ccccc3OCC2)c1 ZINC000772725339 737836953 /nfs/dbraw/zinc/83/69/53/737836953.db2.gz NKUAEAKTMDJYRF-UHFFFAOYSA-N 0 0 361.419 2.644 20 10 FFCDRN CCC(=O)N[C@@H](CCSC)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773005766 737863011 /nfs/dbraw/zinc/86/30/11/737863011.db2.gz CWKKNJOESGNCRQ-CJNGLKHVSA-N 0 0 351.516 2.578 20 10 FFCDRN C[C@@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000920980660 737937795 /nfs/dbraw/zinc/93/77/95/737937795.db2.gz UYYGAAHNWBBBHS-MRVPVSSYSA-N 0 0 356.209 2.578 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000774116247 737962577 /nfs/dbraw/zinc/96/25/77/737962577.db2.gz VCDKZNJKHVTTFC-XYOKQWHBSA-N 0 0 353.787 2.551 20 10 FFCDRN CCOCCOC[C@H](O)C[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774382845 737985285 /nfs/dbraw/zinc/98/52/85/737985285.db2.gz VLFDKXXTGZSMEQ-GHMZBOCLSA-N 0 0 352.258 2.764 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC(O)(C2CCC2)CC1 ZINC000921447455 737985789 /nfs/dbraw/zinc/98/57/89/737985789.db2.gz 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739782676 /nfs/dbraw/zinc/78/26/76/739782676.db2.gz ZXMROBANJKVMDX-UHFFFAOYSA-N 0 0 367.783 2.984 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F ZINC000934704754 739825564 /nfs/dbraw/zinc/82/55/64/739825564.db2.gz IFEFEGLKJFEVNM-GFCCVEGCSA-N 0 0 358.385 2.899 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1(S(C)(=O)=O)CC1 ZINC000794000099 739836448 /nfs/dbraw/zinc/83/64/48/739836448.db2.gz YOPXKLUTVACIDJ-UHFFFAOYSA-N 0 0 360.479 2.710 20 10 FFCDRN Oc1ccc(Br)cc1CNC(=S)NC[C@@H]1CCCCO1 ZINC000795154301 739975880 /nfs/dbraw/zinc/97/58/80/739975880.db2.gz NTHJIIUMHFMRQC-LBPRGKRZSA-N 0 0 359.289 2.688 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2c(C)ccc3ncccc32)c(O)c1 ZINC000795358811 740009814 /nfs/dbraw/zinc/00/98/14/740009814.db2.gz WFEHHDQPZHCVGB-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN O=S(=O)(Cc1cccc(F)c1)NCc1cc(Br)ccc1O ZINC000796190273 740114297 /nfs/dbraw/zinc/11/42/97/740114297.db2.gz FMZHXYVCXTUBMF-UHFFFAOYSA-N 0 0 374.231 2.913 20 10 FFCDRN O=C(N1CCCC1)N1CCC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000796470831 740145767 /nfs/dbraw/zinc/14/57/67/740145767.db2.gz WUFDSMZKXOGSDA-LBPRGKRZSA-N 0 0 355.841 2.955 20 10 FFCDRN COc1cccc(CNC(=O)NCc2c(F)cc(F)c(F)c2F)c1O ZINC000797520461 740253143 /nfs/dbraw/zinc/25/31/43/740253143.db2.gz GBEAKIYHXBHVAA-UHFFFAOYSA-N 0 0 358.291 2.957 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc([S@@](C)=O)c(F)c2)c(O)c1 ZINC000797630554 740260524 /nfs/dbraw/zinc/26/05/24/740260524.db2.gz GOQPXUHJBAGNLN-XMMPIXPASA-N 0 0 352.387 2.599 20 10 FFCDRN CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1 ZINC000797819375 740276064 /nfs/dbraw/zinc/27/60/64/740276064.db2.gz HMOPTFBJRQPQSA-UHFFFAOYSA-N 0 0 365.407 2.768 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1Cl ZINC000797820438 740276397 /nfs/dbraw/zinc/27/63/97/740276397.db2.gz XVQFLJPWACREBS-UHFFFAOYSA-N 0 0 371.798 2.642 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC2([S@](C)=O)CCC2)cc1 ZINC000798105489 740304468 /nfs/dbraw/zinc/30/44/68/740304468.db2.gz XTPAIUBVARRDCR-VWLOTQADSA-N 0 0 365.543 2.975 20 10 FFCDRN O=S(=O)(NCc1ccccc1O)c1cccc(Br)c1F ZINC000798439528 740332173 /nfs/dbraw/zinc/33/21/73/740332173.db2.gz VDVRGZNGWVZIQT-UHFFFAOYSA-N 0 0 360.204 2.772 20 10 FFCDRN COCC[C@@H](CO)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000799084444 740386658 /nfs/dbraw/zinc/38/66/58/740386658.db2.gz CBETTWZBYVZGJE-KRWDZBQOSA-N 0 0 364.873 2.804 20 10 FFCDRN O=[N+]([O-])c1cnc(Sc2n[nH]c(-c3ccc4c(c3)OCCO4)n2)s1 ZINC000799950705 740466692 /nfs/dbraw/zinc/46/66/92/740466692.db2.gz RNNBGYXCMWGZMJ-UHFFFAOYSA-N 0 0 363.380 2.759 20 10 FFCDRN CC(=O)N[C@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800048864 740478272 /nfs/dbraw/zinc/47/82/72/740478272.db2.gz CIGKXWLRVDCKCZ-CHWSQXEVSA-N 0 0 351.878 2.717 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3c[nH]cn3)cc2Cl)C1 ZINC000800148255 740492064 /nfs/dbraw/zinc/49/20/64/740492064.db2.gz KCYHJZFNZCNREB-GFCCVEGCSA-N 0 0 368.890 2.778 20 10 FFCDRN CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000800309184 740510769 /nfs/dbraw/zinc/51/07/69/740510769.db2.gz FFYAXGVXAYORLX-NOZJJQNGSA-N 0 0 367.298 2.507 20 10 FFCDRN CSCC(C)(C)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000800314364 740511399 /nfs/dbraw/zinc/51/13/99/740511399.db2.gz ULQCNPKIDWOYNV-UHFFFAOYSA-N 0 0 352.500 2.643 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCOC[C@H]1OCC ZINC000802291914 740693303 /nfs/dbraw/zinc/69/33/03/740693303.db2.gz GHJWTCKTNIFGOF-FUHWJXTLSA-N 0 0 350.459 2.898 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1occ2c1CCOC2 ZINC000803214164 740775653 /nfs/dbraw/zinc/77/56/53/740775653.db2.gz OBMMXFSNKKBSEM-UHFFFAOYSA-N 0 0 352.184 2.750 20 10 FFCDRN O=C(Cc1ccc2c[nH]nc2c1)NCc1cc(Br)ccc1O ZINC000804733172 740900404 /nfs/dbraw/zinc/90/04/04/740900404.db2.gz KUXZVLBJRYFJHW-UHFFFAOYSA-N 0 0 360.211 2.890 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1n[nH]c(=O)c2ccccc21 ZINC000804734551 740900695 /nfs/dbraw/zinc/90/06/95/740900695.db2.gz QIXSFOVNMDNXMH-UHFFFAOYSA-N 0 0 374.194 2.734 20 10 FFCDRN CN(C)c1ncccc1C(=O)NCc1cc(Br)ccc1O ZINC000804734552 740900659 /nfs/dbraw/zinc/90/06/59/740900659.db2.gz QNNMVXUQPDMABJ-UHFFFAOYSA-N 0 0 350.216 2.546 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cnc2ccccc2c1O ZINC000804736635 740901186 /nfs/dbraw/zinc/90/11/86/740901186.db2.gz WMEQKXVWVQTYLH-UHFFFAOYSA-N 0 0 373.206 2.926 20 10 FFCDRN Cn1ncc(C(=O)NCc2cc(Br)ccc2O)c1C(F)F ZINC000804737907 740901361 /nfs/dbraw/zinc/90/13/61/740901361.db2.gz ULSKPUPODUPOCK-UHFFFAOYSA-N 0 0 360.158 2.756 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cn(-c2ccccc2)nn1 ZINC000804739416 740901864 /nfs/dbraw/zinc/90/18/64/740901864.db2.gz FVQVQTUJUXXPCV-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)c(O)c1 ZINC000805085533 740937102 /nfs/dbraw/zinc/93/71/02/740937102.db2.gz KZALDAORNBCNMY-UHFFFAOYSA-N 0 0 363.769 2.811 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)OCC(=O)c3cscn3)cs2)cc1 ZINC000805526847 740982254 /nfs/dbraw/zinc/98/22/54/740982254.db2.gz AVWXTERKHHPHJA-UHFFFAOYSA-N 0 0 359.432 2.812 20 10 FFCDRN CCc1nnc(NC(=O)NCc2cc(Br)ccc2O)s1 ZINC000806125866 741041508 /nfs/dbraw/zinc/04/15/08/741041508.db2.gz GBUWAEISWKIFAJ-UHFFFAOYSA-N 0 0 357.233 2.890 20 10 FFCDRN CN(C(=O)C(=O)NCCCSc1nccs1)C1CCCCCC1 ZINC000806277291 741049500 /nfs/dbraw/zinc/04/95/00/741049500.db2.gz WPYWGMFMNFKXST-UHFFFAOYSA-N 0 0 355.529 2.923 20 10 FFCDRN CCN(C(=O)C(=O)NCCCSc1nccs1)C1CCCCC1 ZINC000806276497 741049529 /nfs/dbraw/zinc/04/95/29/741049529.db2.gz FYFXEGHJZGZEFM-UHFFFAOYSA-N 0 0 355.529 2.923 20 10 FFCDRN CC1(C)CCCC[C@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000806280891 741050275 /nfs/dbraw/zinc/05/02/75/741050275.db2.gz YFWZUIBCFOYCOS-GFCCVEGCSA-N 0 0 355.529 2.827 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2c(C)c(C(F)(F)F)nn2C)c1 ZINC000806420973 741058200 /nfs/dbraw/zinc/05/82/00/741058200.db2.gz LFLBUJOKGBZYJN-UHFFFAOYSA-N 0 0 358.320 2.783 20 10 FFCDRN CC(C)(CO)CCCNC(=O)NCc1cc(Br)ccc1O ZINC000806855440 741089887 /nfs/dbraw/zinc/08/98/87/741089887.db2.gz LXUIJZCZPFRITD-UHFFFAOYSA-N 0 0 359.264 2.753 20 10 FFCDRN Cc1noc([C@H]2CCCN2C(=O)NCCCSc2nccs2)n1 ZINC000806958362 741098317 /nfs/dbraw/zinc/09/83/17/741098317.db2.gz HCOUTRXVDCDEGZ-LLVKDONJSA-N 0 0 353.473 2.863 20 10 FFCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)NCCCSc1nccs1 ZINC000806958513 741098471 /nfs/dbraw/zinc/09/84/71/741098471.db2.gz IYJONSDPBHBKTQ-MEBFFEOJSA-N 0 0 353.513 2.690 20 10 FFCDRN CSCCCCCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807486844 741137350 /nfs/dbraw/zinc/13/73/50/741137350.db2.gz XPFMJOYNNDTZPB-AWEZNQCLSA-N 0 0 351.516 2.579 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CC1CCC2(CC1)OCCO2 ZINC000808095630 741186073 /nfs/dbraw/zinc/18/60/73/741186073.db2.gz MBMSOHDJUZTTAX-UHFFFAOYSA-N 0 0 354.443 2.818 20 10 FFCDRN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccc(Br)c3[O-])[C@@H]2C1 ZINC000808448050 741226792 /nfs/dbraw/zinc/22/67/92/741226792.db2.gz WIOZSVRCZMVKQV-LZWOXQAQSA-N 0 0 367.287 2.891 20 10 FFCDRN CCCOc1c(Br)cc(C(=O)OCC(=O)C(C)=O)cc1OC ZINC000808486233 741229304 /nfs/dbraw/zinc/22/93/04/741229304.db2.gz LOFARBLJMBUTLS-UHFFFAOYSA-N 0 0 373.199 2.561 20 10 FFCDRN CC(=O)C(=O)COC(=O)CCCC(=O)c1ccc(Br)cc1 ZINC000808543200 741234116 /nfs/dbraw/zinc/23/41/16/741234116.db2.gz PZHMUOLVHISYEK-UHFFFAOYSA-N 0 0 355.184 2.503 20 10 FFCDRN COc1ccc(CS(C)(=O)=O)cc1NCc1c(O)cccc1OC ZINC000809695504 741332600 /nfs/dbraw/zinc/33/26/00/741332600.db2.gz NHFNSBBKNZMSCY-UHFFFAOYSA-N 0 0 351.424 2.566 20 10 FFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000809711104 741335422 /nfs/dbraw/zinc/33/54/22/741335422.db2.gz JWEQWYVWGMBTMU-GFCCVEGCSA-N 0 0 356.747 2.537 20 10 FFCDRN Cc1cc(C(F)(F)F)nn1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000810266300 741403197 /nfs/dbraw/zinc/40/31/97/741403197.db2.gz ZPMMHDKTILAHGC-UHFFFAOYSA-N 0 0 358.339 2.732 20 10 FFCDRN C/C(C=C1C(=O)N(C)C(=O)N(C)C1=O)=C/c1ccccc1OC(F)F ZINC000811684816 741548143 /nfs/dbraw/zinc/54/81/43/741548143.db2.gz DBOIYNYWQAEDEM-NTMALXAHSA-N 0 0 350.321 2.668 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)cc1 ZINC000812371168 741614761 /nfs/dbraw/zinc/61/47/61/741614761.db2.gz MTECXELMOAKTEF-HOTGVXAUSA-N 0 0 360.479 2.742 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCS(=O)(=O)C(C)C ZINC000813889911 741771370 /nfs/dbraw/zinc/77/13/70/741771370.db2.gz UOAGPFHEWAQUJO-UHFFFAOYSA-N 0 0 362.495 2.956 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3=O)cc1 ZINC000814378978 741815599 /nfs/dbraw/zinc/81/55/99/741815599.db2.gz ZOBGOKSUZQTIGM-UHFFFAOYSA-N 0 0 358.463 2.750 20 10 FFCDRN CN(C/C=C\C(=O)NCc1ccc2c(c1)CCCN2C)CC(F)(F)F ZINC000814671681 741855764 /nfs/dbraw/zinc/85/57/64/741855764.db2.gz DXAKSTFPLPGMJH-XQRVVYSFSA-N 0 0 355.404 2.736 20 10 FFCDRN O=c1c(Br)c(NCc2ccccc2O)cnn1-c1ccccn1 ZINC000814836100 741869251 /nfs/dbraw/zinc/86/92/51/741869251.db2.gz IMHYCTZVVGFJQD-UHFFFAOYSA-N 0 0 373.210 2.708 20 10 FFCDRN O=S(=O)(CC[C@@H]1CCOC1)N(Cc1ccccc1O)C1CCCC1 ZINC000815017837 741883068 /nfs/dbraw/zinc/88/30/68/741883068.db2.gz XCHRWEPOQUQTCX-HNNXBMFYSA-N 0 0 353.484 2.893 20 10 FFCDRN C[C@@H]([NH2+]CCS(=O)(=O)NC(C)(C)C)c1cccc(C(F)(F)F)c1[O-] ZINC000815569205 741945651 /nfs/dbraw/zinc/94/56/51/741945651.db2.gz KMPQBRZSRYDOEN-SNVBAGLBSA-N 0 0 368.421 2.780 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C=O)c[nH]1 ZINC000815797255 741961293 /nfs/dbraw/zinc/96/12/93/741961293.db2.gz IQQQVFWGUDPMDF-UHFFFAOYSA-N 0 0 351.200 2.958 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccncc1Cl ZINC000816825661 742064521 /nfs/dbraw/zinc/06/45/21/742064521.db2.gz JQIBUPSASZPBHC-UHFFFAOYSA-N 0 0 359.857 2.773 20 10 FFCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000817298611 742120646 /nfs/dbraw/zinc/12/06/46/742120646.db2.gz NDADFJBKJJEBSW-WBVHZDCISA-N 0 0 366.527 2.611 20 10 FFCDRN CCOc1cc(O)ccc1NS(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000817356068 742128329 /nfs/dbraw/zinc/12/83/29/742128329.db2.gz CXEBXVKPCWYGID-INIZCTEOSA-N 0 0 365.451 2.790 20 10 FFCDRN Cc1c(Cl)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)nn1C ZINC000817429410 742142653 /nfs/dbraw/zinc/14/26/53/742142653.db2.gz RGMMGTFVDWLXKK-GFCCVEGCSA-N 0 0 362.861 2.710 20 10 FFCDRN CCOC(=O)[C@@H]1CCCc2sc(NC(=O)c3cccc(O)c3O)nc21 ZINC000817494886 742154983 /nfs/dbraw/zinc/15/49/83/742154983.db2.gz FGSKELKTHJPMBC-SECBINFHSA-N 0 0 362.407 2.790 20 10 FFCDRN CC(C)(CNC(=O)C(=O)NCCCSc1nccs1)C1=CCCC1 ZINC000817823766 742216315 /nfs/dbraw/zinc/21/63/15/742216315.db2.gz NHOOFLOUSBXZOQ-UHFFFAOYSA-N 0 0 367.540 2.994 20 10 FFCDRN O=C1CN(Cc2ccccc2O)C(=O)N1c1nc(CC(F)(F)F)cs1 ZINC000819007779 742324027 /nfs/dbraw/zinc/32/40/27/742324027.db2.gz FIWHWGMZBGCGCT-UHFFFAOYSA-N 0 0 371.340 2.922 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CC1CCSCC1 ZINC000819697188 742424623 /nfs/dbraw/zinc/42/46/23/742424623.db2.gz RYSXRHNFDBNGJI-UHFFFAOYSA-N 0 0 351.468 2.817 20 10 FFCDRN CC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC(F)(F)C1 ZINC000820098957 742463436 /nfs/dbraw/zinc/46/34/36/742463436.db2.gz GYUCSPIEJKOAGI-UHFFFAOYSA-N 0 0 352.425 2.947 20 10 FFCDRN CC(C)c1nccn1CC(=O)NCc1cccc(Br)c1O ZINC000822458471 742736748 /nfs/dbraw/zinc/73/67/48/742736748.db2.gz HIIHYZGIFUTHIV-UHFFFAOYSA-N 0 0 352.232 2.791 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3csc(C)n3)C2)cc1 ZINC000822664140 742766284 /nfs/dbraw/zinc/76/62/84/742766284.db2.gz KZMZAMXTMGJPBL-AWEZNQCLSA-N 0 0 360.483 2.786 20 10 FFCDRN C[C@@H]1CN(C(=O)c2ccc(NC(=O)C3=CC(=O)CS3)cc2)C[C@@H](C)O1 ZINC000823053520 742825090 /nfs/dbraw/zinc/82/50/90/742825090.db2.gz BAQWSCONPDDFCE-VXGBXAGGSA-N 0 0 360.435 2.955 20 10 FFCDRN COC(=O)c1cnc([C@H](C)NCc2cc(F)cc(C(C)=O)c2O)s1 ZINC000823456176 742915846 /nfs/dbraw/zinc/91/58/46/742915846.db2.gz PZHXYYRIAZAFAK-QMMMGPOBSA-N 0 0 352.387 2.828 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)Cc1nccnc1OC ZINC000823477831 742922414 /nfs/dbraw/zinc/92/24/14/742922414.db2.gz XZODLZCDHCJFGN-UHFFFAOYSA-N 0 0 352.232 2.975 20 10 FFCDRN CCOC(=O)CN(CC[S@@](=O)c1ccccc1)Cc1ccccc1O ZINC000823581447 742940768 /nfs/dbraw/zinc/94/07/68/742940768.db2.gz KOGCWKAXAVXGPD-RUZDIDTESA-N 0 0 361.463 2.565 20 10 FFCDRN CCOC(=O)CN(Cc1cccc2nsnc21)Cc1ccccc1O ZINC000823581838 742940892 /nfs/dbraw/zinc/94/08/92/742940892.db2.gz QVLCAGUENAZIGZ-UHFFFAOYSA-N 0 0 357.435 2.962 20 10 FFCDRN CCOC(=O)CN(CC[S@](=O)c1ccccc1)Cc1ccccc1O ZINC000823581448 742940946 /nfs/dbraw/zinc/94/09/46/742940946.db2.gz KOGCWKAXAVXGPD-VWLOTQADSA-N 0 0 361.463 2.565 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCC(F)(F)CC3)C2)cc1 ZINC000823733496 742970386 /nfs/dbraw/zinc/97/03/86/742970386.db2.gz OPNVMYHBBZCNRR-AWEZNQCLSA-N 0 0 353.413 2.962 20 10 FFCDRN COc1cc(CN(CCS(C)(=O)=O)C(C)C)c(O)c(C(C)(C)C)c1 ZINC000824876584 743169117 /nfs/dbraw/zinc/16/91/17/743169117.db2.gz BGRDQSZNMZBONY-UHFFFAOYSA-N 0 0 357.516 2.953 20 10 FFCDRN O=S1(=O)CC[C@@]2(C1)CCCN(Cc1cc(Br)ccc1O)C2 ZINC000824976524 743188079 /nfs/dbraw/zinc/18/80/79/743188079.db2.gz BUCGFJQZHVSUQJ-HNNXBMFYSA-N 0 0 374.300 2.555 20 10 FFCDRN CN(CCO)c1ccc(NCc2ccc(Br)cc2O)nc1 ZINC000825354162 743254867 /nfs/dbraw/zinc/25/48/67/743254867.db2.gz RTIYDZKJMUBLHK-UHFFFAOYSA-N 0 0 352.232 2.590 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@@H]1SC ZINC000825721242 743318003 /nfs/dbraw/zinc/31/80/03/743318003.db2.gz MDWBHZIWSFUXRR-KURKYZTESA-N 0 0 363.527 2.995 20 10 FFCDRN COCC1(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000825728026 743319687 /nfs/dbraw/zinc/31/96/87/743319687.db2.gz NSPCCRJPPJSTSX-UHFFFAOYSA-N 0 0 363.527 2.856 20 10 FFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC000826510902 743390148 /nfs/dbraw/zinc/39/01/48/743390148.db2.gz QPHLGGHKGSBTRH-UHFFFAOYSA-N 0 0 351.744 2.794 20 10 FFCDRN Cc1cc(O)c(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1Cl ZINC000826894562 743465138 /nfs/dbraw/zinc/46/51/38/743465138.db2.gz RADVUBOGZNPTQO-GWCFXTLKSA-N 0 0 371.808 2.761 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)C[C@H](OC)C(C)C)cc1F ZINC000827127028 743513085 /nfs/dbraw/zinc/51/30/85/743513085.db2.gz OBAVRTPEPYPQIX-KRWDZBQOSA-N 0 0 360.495 2.762 20 10 FFCDRN COc1ccc(F)cc1S(=O)(=O)NCCCSc1nccs1 ZINC000827149728 743520306 /nfs/dbraw/zinc/52/03/06/743520306.db2.gz UMABWCQQWLBFAG-UHFFFAOYSA-N 0 0 362.473 2.752 20 10 FFCDRN COC1CCN(c2ccc(CN3CC[C@H](C)[S@@](=O)CC3)cc2)CC1 ZINC000829233598 745181677 /nfs/dbraw/zinc/18/16/77/745181677.db2.gz CGGPZLAMUYEHKH-FYSMJZIKSA-N 0 0 350.528 2.645 20 10 FFCDRN COCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2F)cc1C ZINC000830184409 745320212 /nfs/dbraw/zinc/32/02/12/745320212.db2.gz DJYUGTYSHHUACC-UHFFFAOYSA-N 0 0 373.377 2.805 20 10 FFCDRN CC(C)C[C@H](C)OC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000830352304 745342043 /nfs/dbraw/zinc/34/20/43/745342043.db2.gz KHCKCCDETOFICX-HNNXBMFYSA-N 0 0 368.499 2.582 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000830540267 745377575 /nfs/dbraw/zinc/37/75/75/745377575.db2.gz IDLFJDDPJSLTLT-YGRLFVJLSA-N 0 0 357.332 2.968 20 10 FFCDRN COc1ccc(CNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)c(O)c1 ZINC000831033162 745469691 /nfs/dbraw/zinc/46/96/91/745469691.db2.gz QDPAAMLLXDZMJU-HNNXBMFYSA-N 0 0 350.459 2.594 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)c1O ZINC000831914920 745605277 /nfs/dbraw/zinc/60/52/77/745605277.db2.gz BILUKVMCHHVYRW-KRWDZBQOSA-N 0 0 371.886 2.649 20 10 FFCDRN Cc1cc(CC(=O)N2CC[S@](=O)C[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000834446197 745839572 /nfs/dbraw/zinc/83/95/72/745839572.db2.gz COWMHAMTWFILLY-BZQUYTCOSA-N 0 0 358.507 2.864 20 10 FFCDRN Cc1c(Cl)cncc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000835235787 745977031 /nfs/dbraw/zinc/97/70/31/745977031.db2.gz TWGMIBCMLHWZDG-LBPRGKRZSA-N 0 0 360.845 2.925 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OC(F)F)cn1 ZINC000836654700 746276905 /nfs/dbraw/zinc/27/69/05/746276905.db2.gz VMXUURQJYFSQHZ-VIFPVBQESA-N 0 0 353.325 2.847 20 10 FFCDRN CCOCC(C)(C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837651294 746492727 /nfs/dbraw/zinc/49/27/27/746492727.db2.gz JKMRXCCDZNAHSK-UHFFFAOYSA-N 0 0 351.516 2.854 20 10 FFCDRN O=C(CCC(F)(F)F)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837706527 746502915 /nfs/dbraw/zinc/50/29/15/746502915.db2.gz 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/nfs/dbraw/zinc/02/90/56/748029056.db2.gz NMMVQCGRGBJMLZ-RPPIVITFSA-N 0 0 356.491 2.790 20 10 FFCDRN CO[C@@H]1CCC[C@@H]([C@@H]2NC(=O)N(CCCSc3nccs3)C2=O)C1 ZINC000844715353 748081770 /nfs/dbraw/zinc/08/17/70/748081770.db2.gz HZNMEBCGYMQGSM-UPJWGTAASA-N 0 0 369.512 2.751 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCC(C)(C)C[C@H](C)O)cc1 ZINC000845007370 748159779 /nfs/dbraw/zinc/15/97/79/748159779.db2.gz APJUVENFCVKSCW-HNNXBMFYSA-N 0 0 351.491 2.570 20 10 FFCDRN CO[C@@H](Cc1ccccc1)CS(=O)(=O)NCc1cc(Cl)ccc1O ZINC000845995432 748378272 /nfs/dbraw/zinc/37/82/72/748378272.db2.gz BRVBNTTUPUNYDD-INIZCTEOSA-N 0 0 369.870 2.723 20 10 FFCDRN O=S(=O)(NCc1cc(Cl)ccc1O)c1ccc2c(c1)OCCCO2 ZINC000845997513 748379299 /nfs/dbraw/zinc/37/92/99/748379299.db2.gz CDAIBSCEAQHYTD-UHFFFAOYSA-N 0 0 369.826 2.685 20 10 FFCDRN CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846472706 748487597 /nfs/dbraw/zinc/48/75/97/748487597.db2.gz LWLYRWXKFDAZFU-GFCCVEGCSA-N 0 0 372.874 2.972 20 10 FFCDRN CC(C)(C)OC(=O)c1cnc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000846478055 748489682 /nfs/dbraw/zinc/48/96/82/748489682.db2.gz ZETMYGQNYQOKCI-UHFFFAOYSA-N 0 0 363.801 2.721 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c(O)c1 ZINC000847246439 748659863 /nfs/dbraw/zinc/65/98/63/748659863.db2.gz SZNQFAYTBWGWDJ-TZMCWYRMSA-N 0 0 362.348 2.700 20 10 FFCDRN CCn1nc(C)c(CN[C@@H](C)c2cc(Br)cc(OC)c2O)n1 ZINC000848553177 748958917 /nfs/dbraw/zinc/95/89/17/748958917.db2.gz KALZHMRYEPYDCC-VIFPVBQESA-N 0 0 369.263 2.934 20 10 FFCDRN CN1C(=O)/C(=C\c2cn(C3CCC3)nn2)c2cc(Br)cnc21 ZINC000849247993 749077959 /nfs/dbraw/zinc/07/79/59/749077959.db2.gz IPASNNCBPDQUNI-MLPAPPSSSA-N 0 0 360.215 2.678 20 10 FFCDRN COC(=O)C(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1 ZINC000849307714 749096269 /nfs/dbraw/zinc/09/62/69/749096269.db2.gz DAYVEYABDVEQLT-UHFFFAOYSA-N 0 0 363.435 2.952 20 10 FFCDRN COCc1cc(O)ccc1NS(=O)(=O)C[C@H](OC)C1CCCCC1 ZINC000849309324 749096959 /nfs/dbraw/zinc/09/69/59/749096959.db2.gz 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C[C@@H]1CCCN(c2ccc(CNC(=O)NC/C=C\CO)cc2Cl)C1 ZINC000854039251 750230049 /nfs/dbraw/zinc/23/00/49/750230049.db2.gz KVBCILZSZFLRKT-PYLYLYNFSA-N 0 0 351.878 2.924 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CC[C@@H](Oc2cncc(Br)c2)C1 ZINC000854578868 750333164 /nfs/dbraw/zinc/33/31/64/750333164.db2.gz HHRDHJYQENZDTQ-LLVKDONJSA-N 0 0 369.240 2.905 20 10 FFCDRN C[C@H](CCCCNC(=O)C1=CC(=O)CS1)NC(=O)C1=CC(=O)CS1 ZINC000854580795 750333689 /nfs/dbraw/zinc/33/36/89/750333689.db2.gz RCFLTPUEGVZZLW-SNVBAGLBSA-N 0 0 368.480 2.939 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ncnc3ccsc32)cc1 ZINC000855020075 750410347 /nfs/dbraw/zinc/41/03/47/750410347.db2.gz FSPUJSVXRORXCT-UHFFFAOYSA-N 0 0 356.451 2.908 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Cl)c[nH]1 ZINC000057175935 845365881 /nfs/dbraw/zinc/36/58/81/845365881.db2.gz ZZDCVANJNXKFQC-UHFFFAOYSA-N 0 0 351.809 2.698 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NC3CC4(C3)CO[C@H](C)C4)C2)cc1 ZINC000895650189 970805273 /nfs/dbraw/zinc/80/52/73/970805273.db2.gz 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C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000185389652 971279413 /nfs/dbraw/zinc/27/94/13/971279413.db2.gz YKXDNTDYAZIJEA-LLVKDONJSA-N 0 0 355.369 2.988 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000896162417 971291251 /nfs/dbraw/zinc/29/12/51/971291251.db2.gz DJJAMPPMTUGVKI-HOCLYGCPSA-N 0 0 363.454 2.944 20 10 FFCDRN C[C@H](O)[C@@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888587364 1013070212 /nfs/dbraw/zinc/07/02/12/1013070212.db2.gz GYAJSPUGYKKIKG-UONOGXRCSA-N 0 0 351.410 2.631 20 10 FFCDRN CCc1nn(C)cc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000092366043 971387401 /nfs/dbraw/zinc/38/74/01/971387401.db2.gz QMNSWNBQIDULPW-SFHVURJKSA-N 0 0 370.497 2.870 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](N2CCCCC2=O)C1 ZINC000896323462 971409238 /nfs/dbraw/zinc/40/92/38/971409238.db2.gz RLMQICXEEIQZPZ-ZDUSSCGKSA-N 0 0 374.462 2.930 20 10 FFCDRN C[C@]1(CO)CCCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888588134 1013089328 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Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N[C@@H](C)CCC1CC1 ZINC000817838253 1007774127 /nfs/dbraw/zinc/77/41/27/1007774127.db2.gz KJNXTZLWTYOHKG-HOTGVXAUSA-N 0 0 359.514 2.803 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1CCC[C@H]1C1CCC1 ZINC000817860465 1007788241 /nfs/dbraw/zinc/78/82/41/1007788241.db2.gz NEAGBHNWMROEJZ-JXFKEZNVSA-N 0 0 371.525 2.899 20 10 FFCDRN Cn1cc(-c2ccnc(C3CCN(C(=O)C4=CC(=O)CS4)CC3)n2)cn1 ZINC000856523345 1007866872 /nfs/dbraw/zinc/86/68/72/1007866872.db2.gz VJIVZDBPNRBTJG-UHFFFAOYSA-N 0 0 369.450 2.664 20 10 FFCDRN CCN(CC)C(=O)c1ccc(C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000114543429 1007951952 /nfs/dbraw/zinc/95/19/52/1007951952.db2.gz TWEWZKWHBLZNEI-UHFFFAOYSA-N 0 0 356.422 2.813 20 10 FFCDRN CCCCc1ccc(NC(=O)C(=O)NCc2cc(OC)ccc2O)cc1 ZINC000114611991 1007984214 /nfs/dbraw/zinc/98/42/14/1007984214.db2.gz AJKBIBUFULJRPR-UHFFFAOYSA-N 0 0 356.422 2.998 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1C1CCOCC1 ZINC000776901047 1008006013 /nfs/dbraw/zinc/00/60/13/1008006013.db2.gz KORHKNXXXQAYSV-HXUWFJFHSA-N 0 0 373.497 2.624 20 10 FFCDRN O=C1CN(Cc2ccccc2O)C(=O)N1c1nc(C2CCOCC2)cs1 ZINC000819007780 1008006920 /nfs/dbraw/zinc/00/69/20/1008006920.db2.gz FJBFSIXMTYKNBI-UHFFFAOYSA-N 0 0 373.434 2.712 20 10 FFCDRN Cc1ccccc1COCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000857004777 1008036423 /nfs/dbraw/zinc/03/64/23/1008036423.db2.gz GXAHZQMJBPRTES-UHFFFAOYSA-N 0 0 372.440 2.804 20 10 FFCDRN Cc1cccc(COCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000857004533 1008036589 /nfs/dbraw/zinc/03/65/89/1008036589.db2.gz DOLGXQQWOMCSEZ-UHFFFAOYSA-N 0 0 372.440 2.804 20 10 FFCDRN CCCOc1ncccc1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819164051 1008053285 /nfs/dbraw/zinc/05/32/85/1008053285.db2.gz FWXTYXJVJDNJSC-UHFFFAOYSA-N 0 0 355.394 2.540 20 10 FFCDRN C[C@@H](COc1cccc(F)c1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819165652 1008054443 /nfs/dbraw/zinc/05/44/43/1008054443.db2.gz YTMXSEGJISWAQJ-ZDUSSCGKSA-N 0 0 358.369 2.763 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)COCc3cccc(C)c3)C2)cc1 ZINC000857302238 1008116420 /nfs/dbraw/zinc/11/64/20/1008116420.db2.gz KKOIZCGVIVQQJG-GOSISDBHSA-N 0 0 354.450 2.915 20 10 FFCDRN CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1ccc(N(C)C)cc1C ZINC000115279582 1008152631 /nfs/dbraw/zinc/15/26/31/1008152631.db2.gz CHHWSHSAKRFVHS-DEDYPNTBSA-N 0 0 351.450 2.854 20 10 FFCDRN CC(=O)Nc1ccc(OC[C@H](O)CNc2ccccc2OCCF)cc1 ZINC000819487349 1008153963 /nfs/dbraw/zinc/15/39/63/1008153963.db2.gz DOXXMLKVDXGVBT-MRXNPFEDSA-N 0 0 362.401 2.845 20 10 FFCDRN CO[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F)[C@@H]1CCOC1 ZINC000857584804 1008166101 /nfs/dbraw/zinc/16/61/01/1008166101.db2.gz QGWWMAOXSRAEFV-ZBFHGGJFSA-N 0 0 374.403 2.695 20 10 FFCDRN COc1ccc(C=O)c(OCC(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000115350484 1008167638 /nfs/dbraw/zinc/16/76/38/1008167638.db2.gz HSRUSEGGTIBGPG-UHFFFAOYSA-N 0 0 368.433 2.585 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3ccc([N+](=O)[O-])cc3)C2)cc1 ZINC000819580370 1008180429 /nfs/dbraw/zinc/18/04/29/1008180429.db2.gz IQNKWGZZLBPRSK-MRXNPFEDSA-N 0 0 369.421 2.789 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc([S@](C)=O)cc3)C2)cc1 ZINC000819580454 1008180562 /nfs/dbraw/zinc/18/05/62/1008180562.db2.gz JUDFEFBLUAIVJK-WZQKQDCOSA-N 0 0 372.490 2.689 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)COc3ccc(F)cc3)C2)cc1 ZINC000819581438 1008181487 /nfs/dbraw/zinc/18/14/87/1008181487.db2.gz ZEAIHRCQBRGFDI-OAHLLOKOSA-N 0 0 358.413 2.856 20 10 FFCDRN CCn1nc(C)c(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1C ZINC000819583396 1008182330 /nfs/dbraw/zinc/18/23/30/1008182330.db2.gz WDKBWHYAVJIGSG-INIZCTEOSA-N 0 0 356.470 2.785 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(-c4ccoc4)n[nH]3)C2)cc1 ZINC000819583147 1008182661 /nfs/dbraw/zinc/18/26/61/1008182661.db2.gz PSYNPZDJTFYGDV-CQSZACIVSA-N 0 0 366.421 2.935 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)CNc3ccccc3OC)C2)cc1 ZINC000819583074 1008182728 /nfs/dbraw/zinc/18/27/28/1008182728.db2.gz SRGZLPOJEXXGSZ-MRXNPFEDSA-N 0 0 369.465 2.758 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cccc4c[nH]nc43)C2)cc1 ZINC000819582666 1008183211 /nfs/dbraw/zinc/18/32/11/1008183211.db2.gz KSHKKRNSOTVLMR-CQSZACIVSA-N 0 0 350.422 2.828 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3OCCc4ccccc43)C2)cc1 ZINC000819586595 1008184709 /nfs/dbraw/zinc/18/47/09/1008184709.db2.gz RYLOAPWRQVNYAS-HRAATJIYSA-N 0 0 366.461 2.952 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(O)ccc3OC)C2)cc1 ZINC000819589953 1008186790 /nfs/dbraw/zinc/18/67/90/1008186790.db2.gz UXHSFKRLGCXQLZ-AWEZNQCLSA-N 0 0 356.422 2.666 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCOc1ccccc1 ZINC000819694754 1008208103 /nfs/dbraw/zinc/20/81/03/1008208103.db2.gz NBBGZSTZRPLEJA-UHFFFAOYSA-N 0 0 357.406 2.753 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H]1CCO[C@H](CC)C1 ZINC000819697299 1008208490 /nfs/dbraw/zinc/20/84/90/1008208490.db2.gz VDQWBBYJKLTXOL-NVXWUHKLSA-N 0 0 363.454 2.879 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(OC(C)C)n1 ZINC000819696913 1008209144 /nfs/dbraw/zinc/20/91/44/1008209144.db2.gz IACQPBOGQIYAMY-UHFFFAOYSA-N 0 0 372.421 2.780 20 10 FFCDRN CCCc1nc(C)c(C(=O)N(CC(=O)OCC)Cc2ccccc2O)o1 ZINC000819698346 1008209320 /nfs/dbraw/zinc/20/93/20/1008209320.db2.gz LFMYFRHZISWXTB-UHFFFAOYSA-N 0 0 360.410 2.847 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@H](C)Cc3cn[nH]c32)cc1 ZINC000857871384 1008231271 /nfs/dbraw/zinc/23/12/71/1008231271.db2.gz OMVNYWIWJWQZJZ-KSSFIOAISA-N 0 0 356.470 2.679 20 10 FFCDRN C[C@@H]1CCc2nc(C(=O)NCc3ccc(N4CCSCC4)cc3)cn2C1 ZINC000857917124 1008243501 /nfs/dbraw/zinc/24/35/01/1008243501.db2.gz SMHQZPDFWVUGJF-OAHLLOKOSA-N 0 0 370.522 2.949 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nccc2occc21 ZINC000819974250 1008257608 /nfs/dbraw/zinc/25/76/08/1008257608.db2.gz LGAYNVMQHMFJNJ-UHFFFAOYSA-N 0 0 351.406 2.937 20 10 FFCDRN O=C(CCCCc1c[nH]nn1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000820006359 1008264675 /nfs/dbraw/zinc/26/46/75/1008264675.db2.gz UWMKTVMMXYVVFL-UHFFFAOYSA-N 0 0 361.409 2.866 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c2ncnn21 ZINC000820001045 1008274350 /nfs/dbraw/zinc/27/43/50/1008274350.db2.gz URQIDFMVJVAGBM-GUYCJALGSA-N 0 0 354.458 2.724 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCCn2ccnc2)cc1 ZINC000858103829 1008303073 /nfs/dbraw/zinc/30/30/73/1008303073.db2.gz SOXBBJXSSFSWHT-UHFFFAOYSA-N 0 0 364.449 2.852 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC=C(C(=O)OC)C2)cc1F ZINC000858208088 1008324954 /nfs/dbraw/zinc/32/49/54/1008324954.db2.gz ZSLIMPPIGNUMQS-OAHLLOKOSA-N 0 0 363.433 2.733 20 10 FFCDRN COCCO[C@H]1COCC[C@H]1NC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000777017015 1008341485 /nfs/dbraw/zinc/34/14/85/1008341485.db2.gz DXUJZNJOAJOOMY-UXHICEINSA-N 0 0 372.465 2.644 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC000858373588 1008351770 /nfs/dbraw/zinc/35/17/70/1008351770.db2.gz KNNPWXAZKPFLHE-UHFFFAOYSA-N 0 0 373.400 2.660 20 10 FFCDRN CCOC(=O)N1CCC([C@H](C)NC(=O)NCc2cc(C)ccc2O)CC1 ZINC000858373694 1008351850 /nfs/dbraw/zinc/35/18/50/1008351850.db2.gz NWJJRHQSKWEOHV-AWEZNQCLSA-N 0 0 363.458 2.757 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3cccnc3C)C2)cc1 ZINC000858551544 1008381042 /nfs/dbraw/zinc/38/10/42/1008381042.db2.gz JFRFRZRPYWTARY-INIZCTEOSA-N 0 0 354.454 2.724 20 10 FFCDRN CC[C@@H](C)NC(=O)CCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000858611124 1008390983 /nfs/dbraw/zinc/39/09/83/1008390983.db2.gz HIBFXINAABAJPK-CQSZACIVSA-N 0 0 369.465 2.941 20 10 FFCDRN COC(=O)[C@@H]1CCN(C(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC000858638414 1008395062 /nfs/dbraw/zinc/39/50/62/1008395062.db2.gz POVYSCJJDRIGJL-OAHLLOKOSA-N 0 0 354.406 2.542 20 10 FFCDRN CCNC(=O)CN(CC)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000858672624 1008400618 /nfs/dbraw/zinc/40/06/18/1008400618.db2.gz CQGNQOFBINDJCM-UHFFFAOYSA-N 0 0 355.438 2.505 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2Cc3ccccc3CO2)cc1F ZINC000858690116 1008404356 /nfs/dbraw/zinc/40/43/56/1008404356.db2.gz OXZVADWMTDCMES-KRWDZBQOSA-N 0 0 357.429 2.832 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3nc4c(s3)COCC4)C2)cc1 ZINC000821154613 1008425018 /nfs/dbraw/zinc/42/50/18/1008425018.db2.gz QEZITBDKELVGBS-LBPRGKRZSA-N 0 0 374.466 2.625 20 10 FFCDRN COC(=O)[C@@H]1CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])Cc2ccccc21 ZINC000858828890 1008432565 /nfs/dbraw/zinc/43/25/65/1008432565.db2.gz ZWOXPMWAMMLHFO-CQSZACIVSA-N 0 0 372.377 2.889 20 10 FFCDRN Cc1cc(CNC(=O)N2CC[C@](C)(C(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000858904547 1008447329 /nfs/dbraw/zinc/44/73/29/1008447329.db2.gz RLGPWMIKUMCDLE-NRFANRHFSA-N 0 0 368.481 2.809 20 10 FFCDRN Cc1cc(CNC(=O)N[C@H](CO)[C@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000858906070 1008447526 /nfs/dbraw/zinc/44/75/26/1008447526.db2.gz HHRWDONXQVYKPN-FXAWDEMLSA-N 0 0 371.481 2.681 20 10 FFCDRN C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1N)c1ccc(N2CCOCC2)cc1 ZINC001136443255 1008452902 /nfs/dbraw/zinc/45/29/02/1008452902.db2.gz WUASUSPBCKLBRM-ZDUSSCGKSA-N 0 0 370.409 2.505 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3cnn(CC(C)C)c3)C2)cc1 ZINC000821456037 1008464147 /nfs/dbraw/zinc/46/41/47/1008464147.db2.gz ZEHNOBBNFCRNRW-OAHLLOKOSA-N 0 0 357.458 2.948 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1F ZINC001136453953 1008471587 /nfs/dbraw/zinc/47/15/87/1008471587.db2.gz DANJHTOHUKXLBM-LLVKDONJSA-N 0 0 357.640 2.629 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1([C@@H]2CCCCO2)CCOCC1 ZINC000821807744 1008496475 /nfs/dbraw/zinc/49/64/75/1008496475.db2.gz ZKIXSCIBMUCOAJ-KSSFIOAISA-N 0 0 363.454 2.511 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000859276780 1008496680 /nfs/dbraw/zinc/49/66/80/1008496680.db2.gz LLYQQPCMJXZZAQ-UPHUGPLXSA-N 0 0 357.498 2.654 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)c3cn4c(n3)COCC4)cc2)CC1 ZINC000859283390 1008497081 /nfs/dbraw/zinc/49/70/81/1008497081.db2.gz TYFDMBOLKQIKPI-UHFFFAOYSA-N 0 0 354.454 2.580 20 10 FFCDRN COc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000821855474 1008499316 /nfs/dbraw/zinc/49/93/16/1008499316.db2.gz XEMBLWLBQPWAGW-UHFFFAOYSA-N 0 0 370.453 2.681 20 10 FFCDRN Cc1cc(CC(=O)N2CCC[C@H]2C(=O)NC2CC2)c(C)n1-c1ccccc1 ZINC000822346573 1008599645 /nfs/dbraw/zinc/59/96/45/1008599645.db2.gz HIFGBZLWOTURJD-FQEVSTJZSA-N 0 0 365.477 2.906 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNCc3c(F)cccc3F)cc2)CC1 ZINC000886326008 1008638762 /nfs/dbraw/zinc/63/87/62/1008638762.db2.gz ZIJGMNLAOKTQHK-UHFFFAOYSA-N 0 0 359.420 2.956 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCCOc3ccccc3)C2)cc1 ZINC000822564898 1008679943 /nfs/dbraw/zinc/67/99/43/1008679943.db2.gz ZBUHVHVOUHGPPC-KRWDZBQOSA-N 0 0 369.465 2.900 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1c([O-])cccc1F ZINC000886512709 1008710694 /nfs/dbraw/zinc/71/06/94/1008710694.db2.gz LNCDUZCFCUPGOD-TZMCWYRMSA-N 0 0 374.412 2.507 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc2c(c1)CCOC2 ZINC000822689129 1008734493 /nfs/dbraw/zinc/73/44/93/1008734493.db2.gz XVMPUBGQHPPUEW-UHFFFAOYSA-N 0 0 370.424 2.665 20 10 FFCDRN CCOCCOCCCC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000822919275 1008817794 /nfs/dbraw/zinc/81/77/94/1008817794.db2.gz HYUUBEQJOWGANG-UHFFFAOYSA-N 0 0 364.486 2.567 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)c1 ZINC000886771906 1008873090 /nfs/dbraw/zinc/87/30/90/1008873090.db2.gz PSJDAIOXODQDAO-XCLIOVDUSA-N 0 0 363.454 2.802 20 10 FFCDRN O=C(CCCc1ccc2c(c1)OCCCO2)NCCc1ccc(O)c(O)c1 ZINC000860234178 1008904897 /nfs/dbraw/zinc/90/48/97/1008904897.db2.gz BTFWZVDQQITANM-UHFFFAOYSA-N 0 0 371.433 2.941 20 10 FFCDRN CC[C@H](CN1CCOCC1)NC(=O)c1sccc1-n1c(C)ccc1C ZINC001178208321 1008908606 /nfs/dbraw/zinc/90/86/06/1008908606.db2.gz QGAHPGDKRLBRJK-MRXNPFEDSA-N 0 0 361.511 2.996 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C=O)c(OC)cc2OC)c1 ZINC000860241049 1008909251 /nfs/dbraw/zinc/90/92/51/1008909251.db2.gz GBGFOJCDPQNVOS-NSHDSACASA-N 0 0 359.378 2.722 20 10 FFCDRN CCN(CC)C(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000773741168 1008967937 /nfs/dbraw/zinc/96/79/37/1008967937.db2.gz SQLCHDFVETWHHY-AWEZNQCLSA-N 0 0 370.449 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FFCDRN COCCn1c(C)c(C)c2cc(C(=O)OC[C@@]3(C)CNC(=O)C3)ccc21 ZINC000802189934 1019862347 /nfs/dbraw/zinc/86/23/47/1019862347.db2.gz JEVOYKQQYDKWPE-HXUWFJFHSA-N 0 0 358.438 2.588 20 10 FFCDRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C)c1ccccc1O ZINC000827956651 1020120064 /nfs/dbraw/zinc/12/00/64/1020120064.db2.gz OEHZSWXNDIAGLS-PBHICJAKSA-N 0 0 356.422 2.927 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCCC(=O)N2)c(C)n1-c1cccc(F)c1 ZINC000800242162 1020141147 /nfs/dbraw/zinc/14/11/47/1020141147.db2.gz PZMFFYOUDGGPKP-QGZVFWFLSA-N 0 0 372.396 2.628 20 10 FFCDRN C[C@@H](NC(=O)[C@](C)(O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000930745458 1020159703 /nfs/dbraw/zinc/15/97/03/1020159703.db2.gz YPGWJUVCGSQEKE-QVKFZJNVSA-N 0 0 372.440 2.747 20 10 FFCDRN [O-]c1c(CN2CCC23C[NH2+]C3)cc(Br)cc1C(F)(F)F ZINC001222309771 1032882871 /nfs/dbraw/zinc/88/28/71/1032882871.db2.gz RPVAGCDSZWSAQP-UHFFFAOYSA-N 0 0 351.166 2.721 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccccc1O[C@@H]1CCOC1 ZINC000828884784 1032890072 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2.896 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)NCCCCC3CC3)cc2)CC1 ZINC001119302997 1022666023 /nfs/dbraw/zinc/66/60/23/1022666023.db2.gz XALWAGZWNDVDGV-UHFFFAOYSA-N 0 0 372.513 2.768 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3nc(C)ncc3C)C2)cc1 ZINC001119319161 1022680525 /nfs/dbraw/zinc/68/05/25/1022680525.db2.gz ULDXUEOOTQARAE-OAHLLOKOSA-N 0 0 355.442 2.750 20 10 FFCDRN O=c1c2ccc([O-])cc2oc(-c2ccc(O)c(O)c2)c1O[C@@H]1CCC[NH2+]C1 ZINC001218283923 1033085894 /nfs/dbraw/zinc/08/58/94/1033085894.db2.gz LRTGIUFASHVZAH-CYBMUJFWSA-N 0 0 369.373 2.708 20 10 FFCDRN CCCN(CCO)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000074841171 1022951822 /nfs/dbraw/zinc/95/18/22/1022951822.db2.gz NYXNVOGGZBPGNO-AWEZNQCLSA-N 0 0 371.428 2.671 20 10 FFCDRN C[C@@H]1CCCCN1C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751932424 1022980075 /nfs/dbraw/zinc/98/00/75/1022980075.db2.gz ZVHNIRWRTSSYGK-CYBMUJFWSA-N 0 0 373.478 2.874 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc3occ(C)c3c2)c1 ZINC000188115267 1023016618 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FFCDRN Cc1cc(C(=O)NCc2ccc(C(N)=O)nc2)c(C)n1-c1ccc(F)cc1 ZINC000753649040 1023363992 /nfs/dbraw/zinc/36/39/92/1023363992.db2.gz SSNDYFIBMBFRQO-UHFFFAOYSA-N 0 0 366.396 2.657 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)Cc3ccncc3)CC2)cc1F ZINC000753912719 1023397831 /nfs/dbraw/zinc/39/78/31/1023397831.db2.gz YEUGVMNKACGWMD-OAHLLOKOSA-N 0 0 372.444 2.692 20 10 FFCDRN COc1ccc(N2CCN(C[C@@H]3COc4ccccc4O3)CC2)cc1F ZINC000754177685 1023435689 /nfs/dbraw/zinc/43/56/89/1023435689.db2.gz AMDNVRZUGQJSCF-MRXNPFEDSA-N 0 0 358.413 2.796 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(F)n3)cc2F)C[C@H](C)O1 ZINC000754405681 1023464882 /nfs/dbraw/zinc/46/48/82/1023464882.db2.gz KPQVDIQCWWGAID-BETUJISGSA-N 0 0 361.392 2.903 20 10 FFCDRN Cc1cc(C(=O)CN(C)CC(=O)NC2CC2)c(C)n1-c1ccccc1C ZINC000754641396 1023498039 /nfs/dbraw/zinc/49/80/39/1023498039.db2.gz CEXZACMIIWCFRS-UHFFFAOYSA-N 0 0 353.466 2.796 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(Cl)n1 ZINC001120862894 1023501433 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1027093697 /nfs/dbraw/zinc/09/36/97/1027093697.db2.gz UBXLGBBZZUGPJA-ONGXBYRLSA-N 0 0 367.493 2.950 20 10 FFCDRN O=C(CNc1nc(Cl)nc2c1CSCC2)c1ccc(O)c(O)c1 ZINC001159277735 1027333501 /nfs/dbraw/zinc/33/35/01/1027333501.db2.gz XLIHVKFDUHRCBP-UHFFFAOYSA-N 0 0 351.815 2.625 20 10 FFCDRN NC(=O)C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001159578435 1027435801 /nfs/dbraw/zinc/43/58/01/1027435801.db2.gz YMYPSESPIJNCMA-LBPRGKRZSA-N 0 0 356.403 2.659 20 10 FFCDRN COc1ccc(N2CCN(CN3Cc4ccc(F)cc4C3=O)CC2)cc1 ZINC000092879951 1027489263 /nfs/dbraw/zinc/48/92/63/1027489263.db2.gz QWNOOGDCAWHVGA-UHFFFAOYSA-N 0 0 355.413 2.570 20 10 FFCDRN CS(=O)(=O)c1ccc(NCc2cc(Br)ccc2O)nc1 ZINC001160019623 1027564667 /nfs/dbraw/zinc/56/46/67/1027564667.db2.gz OKGZXTZQSJVGNK-UHFFFAOYSA-N 0 0 357.229 2.565 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1c[nH]cc1-c1ccc2c(c1)OCCO2 ZINC001153885941 1028045950 /nfs/dbraw/zinc/04/59/50/1028045950.db2.gz TXSPNQZWQCGVJD-UHFFFAOYSA-N 0 0 366.373 2.794 20 10 FFCDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001154027218 1028117122 /nfs/dbraw/zinc/11/71/22/1028117122.db2.gz RXWWDMHGYKCKRY-LLVKDONJSA-N 0 0 360.366 2.766 20 10 FFCDRN COc1ccc2c(=O)cc(C(=O)NCc3c(C)cc(C)cc3O)[nH]c2c1 ZINC001154120441 1028155324 /nfs/dbraw/zinc/15/53/24/1028155324.db2.gz GTXXJZYAYGSNND-UHFFFAOYSA-N 0 0 352.390 2.789 20 10 FFCDRN C[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000795831915 1028178393 /nfs/dbraw/zinc/17/83/93/1028178393.db2.gz CWPPMXIUSZKWDR-CQSZACIVSA-N 0 0 361.486 2.846 20 10 FFCDRN CCCC[N@H+](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000249717107 1028267921 /nfs/dbraw/zinc/26/79/21/1028267921.db2.gz JIHMTUAXBDOXCK-HOTGVXAUSA-N 0 0 365.493 2.787 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c(OC)c1 ZINC000243859012 1028435254 /nfs/dbraw/zinc/43/52/54/1028435254.db2.gz RIBXPMVBHMODJW-UHFFFAOYSA-N 0 0 358.413 2.734 20 10 FFCDRN CCc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc(CC)n1 ZINC001162221980 1028472023 /nfs/dbraw/zinc/47/20/23/1028472023.db2.gz UTOUFSKFUSEOMB-INIZCTEOSA-N 0 0 367.497 2.915 20 10 FFCDRN CCOC(=O)c1ccc(C(=O)NCc2ccc3cccnc3c2O)nc1C ZINC001162607173 1028593586 /nfs/dbraw/zinc/59/35/86/1028593586.db2.gz JWMUQHSHHIDIND-UHFFFAOYSA-N 0 0 365.389 2.751 20 10 FFCDRN Cc1c(C)c(C(=O)NCCc2cc(O)c(O)cc2O)nc2ccccc12 ZINC001155215750 1028628041 /nfs/dbraw/zinc/62/80/41/1028628041.db2.gz GIMUAISTWASFIO-UHFFFAOYSA-N 0 0 352.390 2.941 20 10 FFCDRN O=C(Nc1cc2ccccc2oc1=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155222534 1028631575 /nfs/dbraw/zinc/63/15/75/1028631575.db2.gz PSUWCPWNQKAKOX-UHFFFAOYSA-N 0 0 365.297 2.563 20 10 FFCDRN Cc1cc(NC(=O)c2cc3cc(O)c(O)cc3oc2=O)cnc1OC(C)C ZINC001155223758 1028631742 /nfs/dbraw/zinc/63/17/42/1028631742.db2.gz KPCBTFBLUZQFRU-UHFFFAOYSA-N 0 0 370.361 2.947 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2-c2cnn(C)c2)cc1 ZINC000780394168 1028681757 /nfs/dbraw/zinc/68/17/57/1028681757.db2.gz STPCCUIXDGRUBJ-UHFFFAOYSA-N 0 0 352.442 2.586 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(=O)n(CCO)c2)cc1 ZINC001162881618 1028692319 /nfs/dbraw/zinc/69/23/19/1028692319.db2.gz YLZSXYOKQNMLEE-UHFFFAOYSA-N 0 0 351.406 2.500 20 10 FFCDRN CNC(=O)c1ccc(CN(C(=O)c2ccc(C)c(O)c2O)C2CC2)cc1 ZINC000780871783 1028845032 /nfs/dbraw/zinc/84/50/32/1028845032.db2.gz UMLKMEDVBWZJDA-UHFFFAOYSA-N 0 0 354.406 2.571 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)cc2)c(O)c1O ZINC000781007599 1028931928 /nfs/dbraw/zinc/93/19/28/1028931928.db2.gz IQIRSUFIFVADIW-GDBMZVCRSA-N 0 0 374.824 2.761 20 10 FFCDRN COCc1ccc([C@H]2COCCN2C(=O)c2ccc(N=NC(N)=O)cc2)o1 ZINC001156157072 1029067810 /nfs/dbraw/zinc/06/78/10/1029067810.db2.gz YRIDUYZUXXPZCE-OAHLLOKOSA-N 0 0 372.381 2.802 20 10 FFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 ZINC001156170336 1029074071 /nfs/dbraw/zinc/07/40/71/1029074071.db2.gz LKKLPALZSLMPJX-OAHLLOKOSA-N 0 0 368.408 2.689 20 10 FFCDRN CC(C)NC(=O)NC1(C(=O)NCc2c(O)cccc2F)CCCCC1 ZINC001156170165 1029074789 /nfs/dbraw/zinc/07/47/89/1029074789.db2.gz HWDZKHIPGTXITB-UHFFFAOYSA-N 0 0 351.422 2.558 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000781565874 1029275470 /nfs/dbraw/zinc/27/54/70/1029275470.db2.gz ICCIPUBMBRNJIN-UHFFFAOYSA-N 0 0 372.381 2.818 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCNc2ncccn2)c1 ZINC001164434744 1029281010 /nfs/dbraw/zinc/28/10/10/1029281010.db2.gz OVCOPKGTTOPYPY-UHFFFAOYSA-N 0 0 363.421 2.539 20 10 FFCDRN CCOC(=O)c1cc2cccnc2nc1NCCc1cc(O)c(O)cc1O ZINC001157245502 1029520853 /nfs/dbraw/zinc/52/08/53/1029520853.db2.gz DUWZDNUMRYOGTJ-UHFFFAOYSA-N 0 0 369.377 2.578 20 10 FFCDRN COc1ccc(N2CCN(c3ncnc4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000782133662 1029585576 /nfs/dbraw/zinc/58/55/76/1029585576.db2.gz QTKSZKAJFZVYGC-UHFFFAOYSA-N 0 0 365.393 2.873 20 10 FFCDRN CN(Cc1cn2c(n1)CN(C(=O)OC(C)(C)C)CC2)Cc1ccccc1O ZINC001137519839 1029695240 /nfs/dbraw/zinc/69/52/40/1029695240.db2.gz LUWDVVPOLCDRJB-UHFFFAOYSA-N 0 0 372.469 2.971 20 10 FFCDRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827964571 1029716977 /nfs/dbraw/zinc/71/69/77/1029716977.db2.gz QRPJNCAURMSKHX-KSSFIOAISA-N 0 0 368.433 2.883 20 10 FFCDRN CC(C)NC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000783078823 1029890054 /nfs/dbraw/zinc/89/00/54/1029890054.db2.gz AMVHNNGNQVERPT-UHFFFAOYSA-N 0 0 372.377 2.667 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840862676 1029897089 /nfs/dbraw/zinc/89/70/89/1029897089.db2.gz BQZZGRSPWRYPNC-CJNGLKHVSA-N 0 0 372.421 2.950 20 10 FFCDRN CO[C@H]1CCCN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000783190113 1029958732 /nfs/dbraw/zinc/95/87/32/1029958732.db2.gz OHXUIAPCTYPLTF-APWZRJJASA-N 0 0 361.486 2.795 20 10 FFCDRN O=C([O-])[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1=O ZINC000840998085 1029967870 /nfs/dbraw/zinc/96/78/70/1029967870.db2.gz DGBHNNRNBKITQL-WBVHZDCISA-N 0 0 374.824 2.562 20 10 FFCDRN COc1cc([C@@H](C)NC(=O)C(=O)Nc2ccc(N)cc2)ccc1OC(C)C ZINC000841008491 1029974385 /nfs/dbraw/zinc/97/43/85/1029974385.db2.gz RCBVENWNHSCZGC-CYBMUJFWSA-N 0 0 371.437 2.881 20 10 FFCDRN Cc1cc(F)cc([C@]2(F)CCN(C(=O)C(=O)Nc3ccc(N)cc3)C2)c1 ZINC000841125742 1030057244 /nfs/dbraw/zinc/05/72/44/1030057244.db2.gz BTUWGLIUHJMTQE-IBGZPJMESA-N 0 0 359.376 2.752 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)Nc2ccc(N)cc2)c(OC[C@@H]2CCCO2)c1 ZINC000841150153 1030075147 /nfs/dbraw/zinc/07/51/47/1030075147.db2.gz QLZBYJSOVDFMOQ-INIZCTEOSA-N 0 0 369.421 2.712 20 10 FFCDRN CC(C)Cn1ncc(NC(=O)C(=O)NCCc2ccc(N)cc2)c1C(C)C ZINC000841176193 1030093524 /nfs/dbraw/zinc/09/35/24/1030093524.db2.gz PTTNVWUCDBIUDJ-UHFFFAOYSA-N 0 0 371.485 2.542 20 10 FFCDRN COc1cc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)ccc1N ZINC000841265186 1030142659 /nfs/dbraw/zinc/14/26/59/1030142659.db2.gz SRTTVZSZHYJCEQ-AWEZNQCLSA-N 0 0 370.453 2.997 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000783825752 1030293561 /nfs/dbraw/zinc/29/35/61/1030293561.db2.gz LZGBZVGRBWAESC-OLZOCXBDSA-N 0 0 364.442 2.972 20 10 FFCDRN COC(=O)c1cncc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000841673570 1030391745 /nfs/dbraw/zinc/39/17/45/1030391745.db2.gz VINXUOHLKIXJQW-CQSZACIVSA-N 0 0 370.453 2.995 20 10 FFCDRN CCn1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)cn1 ZINC000784058895 1030446650 /nfs/dbraw/zinc/44/66/50/1030446650.db2.gz BFEPQYQRJSFHNW-UHFFFAOYSA-N 0 0 355.442 2.790 20 10 FFCDRN COc1ccncc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 ZINC000784060393 1030448739 /nfs/dbraw/zinc/44/87/39/1030448739.db2.gz YVJJJZVEDNTCJA-UHFFFAOYSA-N 0 0 368.437 2.977 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nc(OC)cc(OC)n2)C1 ZINC001166816212 1030531313 /nfs/dbraw/zinc/53/13/13/1030531313.db2.gz VVQIEAKHYICXOD-UHFFFAOYSA-N 0 0 354.410 2.557 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cc(Cl)ncc2C(N)=O)C1 ZINC001166815682 1030531366 /nfs/dbraw/zinc/53/13/66/1030531366.db2.gz FELITBKCJDKTLI-UHFFFAOYSA-N 0 0 370.840 2.897 20 10 FFCDRN CC(C)[C@H](c1ccccc1)N(C)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842238669 1030652922 /nfs/dbraw/zinc/65/29/22/1030652922.db2.gz VSEPOZFUKOGFSR-LJQANCHMSA-N 0 0 353.466 2.783 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N(Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000842238667 1030653663 /nfs/dbraw/zinc/65/36/63/1030653663.db2.gz VRGHVAUDMSUPSF-UHFFFAOYSA-N 0 0 371.868 2.772 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@H](Cc2ccccn2)C1=O ZINC000842265901 1030665977 /nfs/dbraw/zinc/66/59/77/1030665977.db2.gz XWJCMIZVSHNTII-HNAYVOBHSA-N 0 0 366.465 2.550 20 10 FFCDRN Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000784671736 1030746810 /nfs/dbraw/zinc/74/68/10/1030746810.db2.gz VDJDRHOHHACEGJ-UHFFFAOYSA-N 0 0 370.453 2.999 20 10 FFCDRN CCOc1cccc(CN2C[C@H](F)[C@@H](NC(=O)OC(C)(C)C)C2)c1O ZINC001203602497 1030781176 /nfs/dbraw/zinc/78/11/76/1030781176.db2.gz ZUDAURPRPYOKBI-KBPBESRZSA-N 0 0 354.422 2.838 20 10 FFCDRN CCOc1cccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1O ZINC001203608149 1030784364 /nfs/dbraw/zinc/78/43/64/1030784364.db2.gz JPPUJQVRNLLRMN-ZWKOTPCHSA-N 0 0 367.449 2.561 20 10 FFCDRN CCOc1cccc(CN2CC[C@@H](S(=O)(=O)c3ccccc3)C2)c1O ZINC001203614285 1030786036 /nfs/dbraw/zinc/78/60/36/1030786036.db2.gz UBWDZKYZJQYASO-QGZVFWFLSA-N 0 0 361.463 2.839 20 10 FFCDRN O=C1CN(Cc2cc(Br)ccc2O)CCN1C1CCCC1 ZINC001203642091 1030801526 /nfs/dbraw/zinc/80/15/26/1030801526.db2.gz DUVGWEVNSDCJBC-UHFFFAOYSA-N 0 0 353.260 2.742 20 10 FFCDRN COc1ncnc2c1CCN(Cc1cc(Br)ccc1O)C2 ZINC001203642043 1030801608 /nfs/dbraw/zinc/80/16/08/1030801608.db2.gz BQBXMWBHTULLKR-UHFFFAOYSA-N 0 0 350.216 2.512 20 10 FFCDRN CNC(=O)c1ccc(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)cn1 ZINC001203641415 1030802303 /nfs/dbraw/zinc/80/23/03/1030802303.db2.gz GAWCUKQLPDBCPU-UHFFFAOYSA-N 0 0 373.368 2.666 20 10 FFCDRN CC(C)N(C)Cc1nnc2n1CCCN(Cc1cc(Cl)ccc1O)C2 ZINC001203656974 1030809357 /nfs/dbraw/zinc/80/93/57/1030809357.db2.gz AOAHUOVCWVNEOG-UHFFFAOYSA-N 0 0 363.893 2.883 20 10 FFCDRN CC(C)C(=O)N1CCC[C@@]2(CN(Cc3cc(Cl)ccc3O)CCO2)C1 ZINC001203659650 1030815360 /nfs/dbraw/zinc/81/53/60/1030815360.db2.gz 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/nfs/dbraw/zinc/68/07/04/1056680704.db2.gz SHWWGOLCDGSSJH-UHFFFAOYSA-N 0 0 369.440 2.766 20 10 FFCDRN COC(=O)[C@@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccc(F)cc1 ZINC000849322959 1056828858 /nfs/dbraw/zinc/82/88/58/1056828858.db2.gz VLYGNPDHJPVORA-LPHOPBHVSA-N 0 0 358.413 2.917 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCC(=O)OCC2CC2)CCCC1 ZINC001544919261 1071711369 /nfs/dbraw/zinc/71/13/69/1071711369.db2.gz JXZQKCWVJBPWEF-UHFFFAOYSA-N 0 0 370.449 2.598 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)c(OC)c1 ZINC001353777265 1058206077 /nfs/dbraw/zinc/20/60/77/1058206077.db2.gz IVUKVUQCZWTBNB-OAHLLOKOSA-N 0 0 362.470 2.558 20 10 FFCDRN COc1ccc(Cn2c(C3CC3)nnc2N(C)Cc2ccccc2O)cn1 ZINC001518269754 1058324466 /nfs/dbraw/zinc/32/44/66/1058324466.db2.gz CSZZYBCNKXJUIQ-UHFFFAOYSA-N 0 0 365.437 2.949 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](O)c2ccco2)c1 ZINC001445754516 1058439687 /nfs/dbraw/zinc/43/96/87/1058439687.db2.gz NGNLFTUWRJICRQ-SFHVURJKSA-N 0 0 352.390 2.963 20 10 FFCDRN COCC1=CCN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001518812648 1058506797 /nfs/dbraw/zinc/50/67/97/1058506797.db2.gz ISNQPCMCNOGECW-UHFFFAOYSA-N 0 0 359.449 2.623 20 10 FFCDRN CC[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1O)OC ZINC001545986781 1058523314 /nfs/dbraw/zinc/52/33/14/1058523314.db2.gz KCZGPSNUNMVOOC-IAGOWNOFSA-N 0 0 374.485 2.939 20 10 FFCDRN CCCN(C)c1nnc([C@@H]2CCOC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001500686082 1058551774 /nfs/dbraw/zinc/55/17/74/1058551774.db2.gz UWTPVFIZRPXKSX-OAHLLOKOSA-N 0 0 361.465 2.882 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1ccco1 ZINC001446806557 1058556042 /nfs/dbraw/zinc/55/60/42/1058556042.db2.gz RLKWRZHLUIFMDR-UHFFFAOYSA-N 0 0 351.786 2.773 20 10 FFCDRN COc1ccc(CN(C)c2nnc(C3SC=CC3=O)n2C)cc1OC ZINC001519505419 1058790999 /nfs/dbraw/zinc/79/09/99/1058790999.db2.gz JOCCCEOCURXNKE-UHFFFAOYSA-N 0 0 360.439 2.903 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCCOC[C@@H]2CCOC2)c1 ZINC001200682823 1059080581 /nfs/dbraw/zinc/08/05/81/1059080581.db2.gz 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/nfs/dbraw/zinc/58/48/99/1059584899.db2.gz RLMYJDQHHGXPAZ-UHFFFAOYSA-N 0 0 360.421 2.999 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3cc(O)ccc3O)C2)cc1 ZINC001455357433 1059771245 /nfs/dbraw/zinc/77/12/45/1059771245.db2.gz QQBHXZOAHCKBQR-INIZCTEOSA-N 0 0 368.433 2.575 20 10 FFCDRN CN(C[C@H]1CN(c2ccccc2)C(=O)O1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001455527161 1059812066 /nfs/dbraw/zinc/81/20/66/1059812066.db2.gz BRDVFZMQCUQUAN-YHWKNFMLSA-N 0 0 368.389 2.595 20 10 FFCDRN CC(C)c1nnc2n1CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@@H]2C ZINC001456104287 1060013554 /nfs/dbraw/zinc/01/35/54/1060013554.db2.gz VTVZUPCNHLBWRB-LLVKDONJSA-N 0 0 355.402 2.781 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CCc2nc(C3CC3)ncc2C1 ZINC001520738104 1060019641 /nfs/dbraw/zinc/01/96/41/1060019641.db2.gz HFIPVVTZDDVCQI-UHFFFAOYSA-N 0 0 368.466 2.962 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(C(C)(C)C)n2ncnc2n1 ZINC001456231562 1060060683 /nfs/dbraw/zinc/06/06/83/1060060683.db2.gz TWHNLHVPKCBMFX-UHFFFAOYSA-N 0 0 366.469 2.726 20 10 FFCDRN CCN(CC(C)C)c1nc(CC(=O)NCc2c(O)cccc2O)cs1 ZINC001456326055 1060086906 /nfs/dbraw/zinc/08/69/06/1060086906.db2.gz WCHRHEMLAYNLPT-UHFFFAOYSA-N 0 0 363.483 2.896 20 10 FFCDRN COC1(OC)CC(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC001520799640 1060091692 /nfs/dbraw/zinc/09/16/92/1060091692.db2.gz CWDYOVZFXXVVOD-UHFFFAOYSA-N 0 0 361.486 2.874 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CCc1ccn(C)n1 ZINC001517148522 1060371407 /nfs/dbraw/zinc/37/14/07/1060371407.db2.gz PKQPFXURAATKOE-UHFFFAOYSA-N 0 0 366.469 2.549 20 10 FFCDRN CN(C)c1ccc(C[NH2+][C@H](Cc2ccncc2)C(=O)[O-])c(C(F)(F)F)c1 ZINC000848638652 1060385210 /nfs/dbraw/zinc/38/52/10/1060385210.db2.gz AQBRHFWEUWDTTB-MRXNPFEDSA-N 0 0 367.371 2.952 20 10 FFCDRN CS(=O)(=O)c1ccc(NCc2cc(Cl)ccc2O)c([N+](=O)[O-])c1 ZINC001458472248 1060598927 /nfs/dbraw/zinc/59/89/27/1060598927.db2.gz HAHBAHWYOGJVOZ-UHFFFAOYSA-N 0 0 356.787 2.969 20 10 FFCDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(Cl)c1O ZINC001458698428 1060650282 /nfs/dbraw/zinc/65/02/82/1060650282.db2.gz OFLVTICCLVLOJT-UHFFFAOYSA-N 0 0 356.787 2.969 20 10 FFCDRN CCOC(=O)CN(CC(=O)N(C)[C@@H](C)CC(C)C)Cc1ccccc1O ZINC001460280371 1060941054 /nfs/dbraw/zinc/94/10/54/1060941054.db2.gz QCWRMRNXHNXRIF-INIZCTEOSA-N 0 0 364.486 2.650 20 10 FFCDRN CCC[C@@H](C(=O)OCC)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001460649522 1061045272 /nfs/dbraw/zinc/04/52/72/1061045272.db2.gz FCRSPRJIFXJKNK-KRWDZBQOSA-N 0 0 350.459 2.558 20 10 FFCDRN COC(=O)CC1(CS(=O)(=O)Oc2ccc3c(c2)c(C)c(C)n3C)CC1 ZINC001475403727 1061077377 /nfs/dbraw/zinc/07/73/77/1061077377.db2.gz GWEBAUKXBSRBFC-UHFFFAOYSA-N 0 0 365.451 2.847 20 10 FFCDRN CCCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cccc(O)c1O ZINC001521852641 1061169525 /nfs/dbraw/zinc/16/95/25/1061169525.db2.gz YEUSRTHMRUPHMA-GFCCVEGCSA-N 0 0 352.431 2.750 20 10 FFCDRN Cc1c(NC(=O)NCc2c(O)cccc2F)cccc1N1CCNC1=O ZINC001476500913 1061422824 /nfs/dbraw/zinc/42/28/24/1061422824.db2.gz XTKQSYKUAOOHGL-UHFFFAOYSA-N 0 0 358.373 2.691 20 10 FFCDRN O=C(c1cccc(F)c1)N1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC001461856183 1061428466 /nfs/dbraw/zinc/42/84/66/1061428466.db2.gz ZGALFLLHJWTSNZ-UHFFFAOYSA-N 0 0 350.340 2.768 20 10 FFCDRN CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(F)c(F)cc2O)cc1 ZINC001462166995 1061524437 /nfs/dbraw/zinc/52/44/37/1061524437.db2.gz SYBGOGPIMYMQHV-ZDUSSCGKSA-N 0 0 350.365 2.783 20 10 FFCDRN CCOC(=O)c1cn(C)cc1NC(=O)NCCCSc1nccs1 ZINC001477172691 1061611699 /nfs/dbraw/zinc/61/16/99/1061611699.db2.gz ZAWOJUXRWUNZLI-UHFFFAOYSA-N 0 0 368.484 2.962 20 10 FFCDRN Cc1nccn1-c1ccc(CNC(=O)N[C@H](C)c2ccccc2O)cn1 ZINC001477537498 1061730202 /nfs/dbraw/zinc/73/02/02/1061730202.db2.gz JFHCOELFSYFYBD-CYBMUJFWSA-N 0 0 351.410 2.842 20 10 FFCDRN CC(C)[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@H](O)C(F)(F)F ZINC001477634363 1061761109 /nfs/dbraw/zinc/76/11/09/1061761109.db2.gz GAZDGFONXJUBFI-HOTGVXAUSA-N 0 0 373.419 2.816 20 10 FFCDRN C/C=C(\C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001522258580 1061820691 /nfs/dbraw/zinc/82/06/91/1061820691.db2.gz UARKFQZCXQIZJI-UMHHMHFOSA-N 0 0 369.425 2.677 20 10 FFCDRN COc1ccc(CNC(=O)c2cccc(C(=O)N3CCCCC3)c2)c(O)c1 ZINC001528384519 1061886822 /nfs/dbraw/zinc/88/68/22/1061886822.db2.gz XIBKRZYMBSHOAA-UHFFFAOYSA-N 0 0 368.433 2.957 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)[C@]34CC[C@H](CC3=O)C4(C)C)C2)cc1 ZINC001528592450 1061968087 /nfs/dbraw/zinc/96/80/87/1061968087.db2.gz HIBVKNVDHIFGOY-WIEQDCTASA-N 0 0 356.466 2.786 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2cnn3c2N[C@H](C)C[C@@H]3C(F)F)c1 ZINC001528626251 1061982729 /nfs/dbraw/zinc/98/27/29/1061982729.db2.gz AEFPTGDVLONGMX-ZWNOBZJWSA-N 0 0 350.369 2.837 20 10 FFCDRN CC(C)(C)n1cc(C(=O)NCc2cccc(O)c2O)c(Br)n1 ZINC001528770917 1062038960 /nfs/dbraw/zinc/03/89/60/1062038960.db2.gz GRFDCUVAEJDJKA-UHFFFAOYSA-N 0 0 368.231 2.742 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1([S@@](C)=O)CCC1 ZINC001478538442 1062044220 /nfs/dbraw/zinc/04/42/20/1062044220.db2.gz RIKDPETZJNMYTQ-RUZDIDTESA-N 0 0 363.527 2.729 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc(N2CCCC2)n1 ZINC001463813752 1062274676 /nfs/dbraw/zinc/27/46/76/1062274676.db2.gz NHMFSHQKFSUPFP-UHFFFAOYSA-N 0 0 365.481 2.949 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCc2ncc(C)cc2C)cc1 ZINC001479282162 1062306385 /nfs/dbraw/zinc/30/63/85/1062306385.db2.gz HHIAVTAEIHSWMA-UHFFFAOYSA-N 0 0 356.470 2.985 20 10 FFCDRN CCCn1nccc1C(=O)Nc1ccc(NC(=O)C2=S=CC=C2)cc1 ZINC001529486168 1062320960 /nfs/dbraw/zinc/32/09/60/1062320960.db2.gz WCJJROKHLLTRTQ-UHFFFAOYSA-N 0 0 354.435 2.762 20 10 FFCDRN COC[C@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(C)C ZINC001479412083 1062348140 /nfs/dbraw/zinc/34/81/40/1062348140.db2.gz DYFOWPMKMMGKGO-KRWDZBQOSA-N 0 0 363.502 2.836 20 10 FFCDRN C[C@@H](NC(=O)NCc1ncc(Br)cn1)c1ccccc1O ZINC001479505307 1062493596 /nfs/dbraw/zinc/49/35/96/1062493596.db2.gz SGQDQWPMGWYKOQ-SECBINFHSA-N 0 0 351.204 2.505 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001531694322 1062851383 /nfs/dbraw/zinc/85/13/83/1062851383.db2.gz PFFFZWBGAYAOKR-FQEVSTJZSA-N 0 0 364.449 2.833 20 10 FFCDRN CCn1ccc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)c1C ZINC001546151750 1062977411 /nfs/dbraw/zinc/97/74/11/1062977411.db2.gz GCRIIXHGINYLEQ-UHFFFAOYSA-N 0 0 364.829 2.991 20 10 FFCDRN C[C@H]1CCC2=S=C(C(=O)Nc3ccc(-c4nnnn4C)cc3)C=C2C1 ZINC001532635729 1063138103 /nfs/dbraw/zinc/13/81/03/1063138103.db2.gz ZUROTXINLUYOMF-NSHDSACASA-N 0 0 353.451 2.654 20 10 FFCDRN COCCCCN(C)c1nnc(C2SC=CC2=O)n1C[C@@H]1CCCO1 ZINC001525097289 1063143627 /nfs/dbraw/zinc/14/36/27/1063143627.db2.gz CGPPXZCFGLPHHA-ZDUSSCGKSA-N 0 0 366.487 2.754 20 10 FFCDRN COc1ccc(-c2cc(C(=O)NCc3ccccc3O)[nH]n2)c(OC)c1 ZINC001465990963 1063291608 /nfs/dbraw/zinc/29/16/08/1063291608.db2.gz YUYMOJABKALGPC-UHFFFAOYSA-N 0 0 353.378 2.730 20 10 FFCDRN CC(C)(C)OC(=O)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894393 1063587720 /nfs/dbraw/zinc/58/77/20/1063587720.db2.gz UYHAJOOFQXVYMA-UHFFFAOYSA-N 0 0 367.409 2.860 20 10 FFCDRN C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)Cn1cccn1 ZINC001468187733 1063940029 /nfs/dbraw/zinc/94/00/29/1063940029.db2.gz PNWBTIWGBDCCAZ-KRWDZBQOSA-N 0 0 355.486 2.961 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCc1ccc(C(N)=O)cc1 ZINC001468300336 1063961728 /nfs/dbraw/zinc/96/17/28/1063961728.db2.gz YWPUEKHZBWDCQH-UHFFFAOYSA-N 0 0 366.465 2.727 20 10 FFCDRN COC[C@@H]1CCCN1NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001470271769 1064292643 /nfs/dbraw/zinc/29/26/43/1064292643.db2.gz PBOKYBWYXLCQLX-KRWDZBQOSA-N 0 0 355.438 2.662 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](O)C[C@@]2(C)CO)c(C)n1-c1cccc(Cl)c1 ZINC001470302530 1064300028 /nfs/dbraw/zinc/30/00/28/1064300028.db2.gz FCXWXJSUYARUSH-APWZRJJASA-N 0 0 362.857 2.705 20 10 FFCDRN C[C@H](NC(=O)c1cnn2c1nccc2-c1cccnc1)c1ccccc1O ZINC001471194903 1064597019 /nfs/dbraw/zinc/59/70/19/1064597019.db2.gz QHFRIGTZGIJYBU-ZDUSSCGKSA-N 0 0 359.389 2.988 20 10 FFCDRN C[C@H](NC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)c1ccccc1O ZINC001471195555 1064597435 /nfs/dbraw/zinc/59/74/35/1064597435.db2.gz ZPBJVOMBFWCKPY-LBPRGKRZSA-N 0 0 352.350 2.977 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1cc(Br)cc2[nH]cnc21 ZINC001471662277 1064751654 /nfs/dbraw/zinc/75/16/54/1064751654.db2.gz XDSKMSHUWBGAKR-UHFFFAOYSA-N 0 0 362.183 2.667 20 10 FFCDRN COC(=O)[C@@H]1C[C@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)[C@H]2C[C@H]21 ZINC001472006929 1064888651 /nfs/dbraw/zinc/88/86/51/1064888651.db2.gz DAWIPFFYQXQRRO-WCIQWLHISA-N 0 0 366.461 2.950 20 10 FFCDRN C[C@H](C(=O)NCc1c(O)ccc2ccccc21)n1nnnc1C(C)(C)C ZINC001472085315 1064924054 /nfs/dbraw/zinc/92/40/54/1064924054.db2.gz PXDVWFQJVAPRTL-GFCCVEGCSA-N 0 0 353.426 2.707 20 10 FFCDRN CCCCOC(=O)[C@@H](C)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001473732293 1065338369 /nfs/dbraw/zinc/33/83/69/1065338369.db2.gz GENSXQCOJAMETJ-OAHLLOKOSA-N 0 0 350.459 2.558 20 10 FFCDRN NC(=O)c1[nH]nc2ccc(NCc3c(O)cccc3Br)cc21 ZINC001474071206 1065451973 /nfs/dbraw/zinc/45/19/73/1065451973.db2.gz BHOXYGMZQFIRCH-UHFFFAOYSA-N 0 0 361.199 2.742 20 10 FFCDRN CN(C)c1ccc(CNc2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC001578998812 1078560739 /nfs/dbraw/zinc/56/07/39/1078560739.db2.gz SOYUDLXKZFSWCN-UHFFFAOYSA-N 0 0 357.349 2.592 20 10 FFCDRN Nc1ccc(NC(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC001580449103 1078806309 /nfs/dbraw/zinc/80/63/09/1078806309.db2.gz BIAWMAYBGTUKKH-NSHDSACASA-N 0 0 353.344 2.659 20 10 FFCDRN Cc1ncc(Br)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC001562832803 1073834225 /nfs/dbraw/zinc/83/42/25/1073834225.db2.gz FBNDWBGONQANKG-UHFFFAOYSA-N 0 0 366.215 2.928 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCCCCC(=O)OCc1ccccc1 ZINC001556160038 1075710594 /nfs/dbraw/zinc/71/05/94/1075710594.db2.gz OBGBVBLTPUBOBW-UHFFFAOYSA-N 0 0 357.406 2.670 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2Cc3cccc(C)c3O2)cc1 ZINC001585450934 1079464659 /nfs/dbraw/zinc/46/46/59/1079464659.db2.gz ZSPAJILXXLKLNN-LJQANCHMSA-N 0 0 354.450 2.902 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2Cc3cccc(C)c3O2)cc1 ZINC001585450933 1079464849 /nfs/dbraw/zinc/46/48/49/1079464849.db2.gz ZSPAJILXXLKLNN-IBGZPJMESA-N 0 0 354.450 2.902 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3cc(=O)cc[nH]3)c2C)cc1 ZINC001556932010 1075791147 /nfs/dbraw/zinc/79/11/47/1075791147.db2.gz PHALXEMJYDXZRI-UHFFFAOYSA-N 0 0 351.406 2.721 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCc2nccc(C)n2)cc1 ZINC001557087254 1075806445 /nfs/dbraw/zinc/80/64/45/1075806445.db2.gz AEAWHBVQDMBZCC-UHFFFAOYSA-N 0 0 362.433 2.864 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N(Cc1ccccc1)[C@H](CO)C1CCC1 ZINC001557183810 1075819264 /nfs/dbraw/zinc/81/92/64/1075819264.db2.gz YDFFEIIBYYXDJU-GOSISDBHSA-N 0 0 355.434 2.830 20 10 FFCDRN COC(=O)c1coc(CNC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC001557332496 1075839982 /nfs/dbraw/zinc/83/99/82/1075839982.db2.gz MABPCFFRZHLCAD-UHFFFAOYSA-N 0 0 359.407 2.860 20 10 FFCDRN COc1nsc(C(=O)N2Cc3cccc(O)c3C2)c1Br ZINC001558035541 1075932883 /nfs/dbraw/zinc/93/28/83/1075932883.db2.gz KWPQCYUPQZJYPZ-UHFFFAOYSA-N 0 0 355.213 2.776 20 10 FFCDRN O=C(CN(Cc1cccnc1)c1ccccc1)NCc1cccc(O)c1O ZINC001558159930 1075952602 /nfs/dbraw/zinc/95/26/02/1075952602.db2.gz PBLJMERMPDPUJI-UHFFFAOYSA-N 0 0 363.417 2.816 20 10 FFCDRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1c(O)cccc1O ZINC001558534512 1076026943 /nfs/dbraw/zinc/02/69/43/1076026943.db2.gz SGTLNGBGODQXIZ-SFHVURJKSA-N 0 0 372.421 2.665 20 10 FFCDRN CCOC(=O)CN(CC(C)C)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001559152268 1076129975 /nfs/dbraw/zinc/12/99/75/1076129975.db2.gz IICIBAGWHSGOLB-VQHVLOKHSA-N 0 0 364.398 2.807 20 10 FFCDRN COc1cncn(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)c1=O ZINC001559450121 1076161043 /nfs/dbraw/zinc/16/10/43/1076161043.db2.gz LPDRVZSAQCYGEK-UHFFFAOYSA-N 0 0 369.396 2.990 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@H]1CCO[C@H](C)C1 ZINC001561102628 1076332903 /nfs/dbraw/zinc/33/29/03/1076332903.db2.gz RMMVUVXKVNPNFA-WBVHZDCISA-N 0 0 354.516 2.719 20 10 FFCDRN CS(=O)(=O)c1cccc(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC001562118728 1076477170 /nfs/dbraw/zinc/47/71/70/1076477170.db2.gz URGIMYIZBRIJJJ-UHFFFAOYSA-N 0 0 354.815 2.771 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1nc(C(N)=O)cs1 ZINC001563393170 1076550082 /nfs/dbraw/zinc/55/00/82/1076550082.db2.gz NWWSWMBGFJSTGQ-UHFFFAOYSA-N 0 0 361.471 2.751 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1C[C@@H]2C[C@@H]2C1 ZINC001564199373 1076614916 /nfs/dbraw/zinc/61/49/16/1076614916.db2.gz IFOJJVPEVHTWSG-MJBXVCDLSA-N 0 0 351.397 2.918 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc2cccn2cn1 ZINC001566848880 1076985234 /nfs/dbraw/zinc/98/52/34/1076985234.db2.gz BNEQBVAATMMIGR-UHFFFAOYSA-N 0 0 373.796 2.509 20 10 FFCDRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Cc1ccc(O)c(O)c1 ZINC001568207104 1077078742 /nfs/dbraw/zinc/07/87/42/1077078742.db2.gz PNPYHIQQZCGVIE-ZDUSSCGKSA-N 0 0 370.405 2.817 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC001568898292 1077117121 /nfs/dbraw/zinc/11/71/21/1077117121.db2.gz PJLQXFAOTHHCIU-SQNIBIBYSA-N 0 0 353.418 2.671 20 10 FFCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569453549 1077146289 /nfs/dbraw/zinc/14/62/89/1077146289.db2.gz LMMBDEOONJAHEN-GHMZBOCLSA-N 0 0 363.418 2.881 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC001570417944 1077205402 /nfs/dbraw/zinc/20/54/02/1077205402.db2.gz ATDGMNKYHSANFE-FOIQADDNSA-N 0 0 365.477 2.983 20 10 FFCDRN C[S@](=O)Cc1cc(NC(=O)Cc2ccc(O)c(O)c2)ccc1Cl ZINC001586143399 1079559445 /nfs/dbraw/zinc/55/94/45/1079559445.db2.gz HREXOHJMEZQPLT-QHCPKHFHSA-N 0 0 353.827 2.811 20 10 FFCDRN CN(Cc1ccc(C(N)=O)cc1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001587252101 1079761669 /nfs/dbraw/zinc/76/16/69/1079761669.db2.gz ZHWHRWDUXGSEBS-UHFFFAOYSA-N 0 0 356.403 2.684 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(-n3cc[nH]c3=O)cc2)cc1 ZINC001587405625 1079787632 /nfs/dbraw/zinc/78/76/32/1079787632.db2.gz WWUQSHOHYCASTQ-UHFFFAOYSA-N 0 0 350.422 2.916 20 10 FFCDRN CN(CC(C)(C)CNC(=O)OC(C)(C)C)C(=O)Cc1ccc(O)c(O)c1 ZINC001587675779 1079841377 /nfs/dbraw/zinc/84/13/77/1079841377.db2.gz RQUGJUHRBUBYQA-UHFFFAOYSA-N 0 0 366.458 2.650 20 10 FFCDRN CC(C)[C@@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)[O-] ZINC001588946431 1080277113 /nfs/dbraw/zinc/27/71/13/1080277113.db2.gz GPIXNFGYDNODHA-HXUWFJFHSA-N 0 0 371.481 2.633 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589870181 1080818949 /nfs/dbraw/zinc/81/89/49/1080818949.db2.gz PCQQHVAZKSPARW-VXGBXAGGSA-N 0 0 368.397 2.935 20 10 FFCDRN C[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC001589950922 1080895538 /nfs/dbraw/zinc/89/55/38/1080895538.db2.gz YJMIXDKGLFWSHV-GHMZBOCLSA-N 0 0 354.370 2.892 20 10 FFCDRN C[C@@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589977737 1080916980 /nfs/dbraw/zinc/91/69/80/1080916980.db2.gz HPSLBGMZPFBAMR-ACJLOTCBSA-N 0 0 357.458 2.962 20 10 FFCDRN C[C@H](Nc1cccc2c1OCCCO2)c1cccc(-c2nn[nH]n2)c1O ZINC001589986165 1080923778 /nfs/dbraw/zinc/92/37/78/1080923778.db2.gz ZEXNKDYCIHKNKS-NSHDSACASA-N 0 0 353.382 2.907 20 10 FFCDRN Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000055579945 221071929 /nfs/dbraw/zinc/07/19/29/221071929.db2.gz KQBFECAMDMRYBS-UHFFFAOYSA-N 0 0 374.871 2.821 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1c1ncnc2ccccc21 ZINC000371019973 512180641 /nfs/dbraw/zinc/18/06/41/512180641.db2.gz VQZZTHBVNXVWEV-GOSISDBHSA-N 0 0 362.433 2.963 20 10 FFCDRN Cc1cnc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000377307783 512209471 /nfs/dbraw/zinc/20/94/71/512209471.db2.gz ZCHWPVFWCMGCGJ-UHFFFAOYSA-N 0 0 362.380 2.785 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1F ZINC000054285485 506532013 /nfs/dbraw/zinc/53/20/13/506532013.db2.gz GXGSVIUOIFPANH-UHFFFAOYSA-N 0 0 359.357 2.501 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(CNC(N)=O)cc2)cc1F ZINC000066841290 506661017 /nfs/dbraw/zinc/66/10/17/506661017.db2.gz XFIKIUAVMOWXIG-UHFFFAOYSA-N 0 0 372.444 2.770 20 10 FFCDRN Cc1cc(C)n(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000055530275 506771150 /nfs/dbraw/zinc/77/11/50/506771150.db2.gz GSCDQYQEQJZUFI-IYBDPMFKSA-N 0 0 374.460 2.569 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cc(C(C)=O)cn3C)CC2)cc1 ZINC000055877951 506873834 /nfs/dbraw/zinc/87/38/34/506873834.db2.gz RRCWPBUHNKJHKI-UHFFFAOYSA-N 0 0 355.438 2.589 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000056333292 506988399 /nfs/dbraw/zinc/98/83/99/506988399.db2.gz JLZBTSOVMHANHA-UHFFFAOYSA-N 0 0 373.428 2.670 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCCn3ccnc3C)CC2)cc1 ZINC000056892594 507118589 /nfs/dbraw/zinc/11/85/89/507118589.db2.gz CYEQRZMYGJSGAN-UHFFFAOYSA-N 0 0 371.485 2.512 20 10 FFCDRN CN(C)c1ccc(CNC(=O)COc2cccc(N3CCCC3=O)c2)cc1 ZINC000018215416 507145039 /nfs/dbraw/zinc/14/50/39/507145039.db2.gz UVLVJJSTGDZQJH-UHFFFAOYSA-N 0 0 367.449 2.575 20 10 FFCDRN COc1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000047293782 507303887 /nfs/dbraw/zinc/30/38/87/507303887.db2.gz SMGLRTPHLXJJLE-UHFFFAOYSA-N 0 0 358.413 2.725 20 10 FFCDRN O=C(Cc1cccc(F)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000047293638 507303900 /nfs/dbraw/zinc/30/39/00/507303900.db2.gz ZWCVSOSPRYRQPK-UHFFFAOYSA-N 0 0 360.404 2.785 20 10 FFCDRN Cc1nc(SCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n[nH]1 ZINC000073476513 507923123 /nfs/dbraw/zinc/92/31/23/507923123.db2.gz WVYVNJDLCFEWAM-UHFFFAOYSA-N 0 0 359.499 2.758 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000079390639 507957404 /nfs/dbraw/zinc/95/74/04/507957404.db2.gz NYRJDIPOWABTRF-UHFFFAOYSA-N 0 0 364.449 2.559 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCC[C@H]2C(=O)Nc2nccs2)c1O ZINC000079434875 507961506 /nfs/dbraw/zinc/96/15/06/507961506.db2.gz BRXFOWFOAWOQTR-AWEZNQCLSA-N 0 0 363.414 2.794 20 10 FFCDRN C[C@@H](CCO)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000074061591 507982912 /nfs/dbraw/zinc/98/29/12/507982912.db2.gz NYILGDUFKGQRME-ZDUSSCGKSA-N 0 0 371.428 2.575 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nccc(C(F)(F)F)n1 ZINC000074157568 507992551 /nfs/dbraw/zinc/99/25/51/507992551.db2.gz OOYUSDYWVHYSCL-UHFFFAOYSA-N 0 0 352.360 2.968 20 10 FFCDRN CN1C[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CCC1=O ZINC000074367142 508016729 /nfs/dbraw/zinc/01/67/29/508016729.db2.gz QYUZFJDVCYYWAU-INIZCTEOSA-N 0 0 359.470 2.857 20 10 FFCDRN COc1cccc(CN2CCN(C(=O)c3ccc(C)c(OC)c3)CC2)c1O ZINC000092106200 508044786 /nfs/dbraw/zinc/04/47/86/508044786.db2.gz VNHXDJSQHDXLQW-UHFFFAOYSA-N 0 0 370.449 2.676 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1cnn(C)c1 ZINC000075416749 508106570 /nfs/dbraw/zinc/10/65/70/508106570.db2.gz BTZGFIRWIPDKHS-UHFFFAOYSA-N 0 0 366.259 2.870 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCOCCOC ZINC000075416957 508106703 /nfs/dbraw/zinc/10/67/03/508106703.db2.gz NHYMWLGQMRWWIZ-UHFFFAOYSA-N 0 0 360.248 2.556 20 10 FFCDRN CCn1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000081203171 508147295 /nfs/dbraw/zinc/14/72/95/508147295.db2.gz UZHQOOWZRXOSII-CQSZACIVSA-N 0 0 364.396 2.903 20 10 FFCDRN Cc1ncc(/C=C/C(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000112237296 508163080 /nfs/dbraw/zinc/16/30/80/508163080.db2.gz CUZRVBDZMZDXMA-HWKANZROSA-N 0 0 361.442 2.757 20 10 FFCDRN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCCCCC1 ZINC000094075608 508166899 /nfs/dbraw/zinc/16/68/99/508166899.db2.gz ZNQOSOBOUUBCSH-UHFFFAOYSA-N 0 0 354.472 2.949 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(c2nccs2)C1 ZINC000081595445 508195337 /nfs/dbraw/zinc/19/53/37/508195337.db2.gz LQWQYUNMYNGEAF-HNNXBMFYSA-N 0 0 372.494 2.611 20 10 FFCDRN CO[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1 ZINC000098094065 508233328 /nfs/dbraw/zinc/23/33/28/508233328.db2.gz UAQFDPQAZQUABH-HXUWFJFHSA-N 0 0 372.440 2.791 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000098074451 508233558 /nfs/dbraw/zinc/23/35/58/508233558.db2.gz NBJQQJROMDNYNG-UHFFFAOYSA-N 0 0 371.393 2.579 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3noc4ccccc43)CC2)cc1F ZINC000084814414 508293904 /nfs/dbraw/zinc/29/39/04/508293904.db2.gz APPUQHIESVFASA-UHFFFAOYSA-N 0 0 369.396 2.867 20 10 FFCDRN Cn1c2ccc(NC(=O)NCc3ccc4c(c3)CCCN4C)cc2oc1=O ZINC000077501904 508324523 /nfs/dbraw/zinc/32/45/23/508324523.db2.gz HDCDXUCWCPFMEP-UHFFFAOYSA-N 0 0 366.421 2.836 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@@](C)(O)c2ccsc2)cc1F ZINC000077800352 508375929 /nfs/dbraw/zinc/37/59/29/508375929.db2.gz KCSWZNZBQQJLKK-QGZVFWFLSA-N 0 0 351.447 2.660 20 10 FFCDRN COc1cccc(CNC(=O)c2cccnc2OCC(F)(F)F)c1O ZINC000105652090 508379972 /nfs/dbraw/zinc/37/99/72/508379972.db2.gz WAWILVHCUJYUPO-UHFFFAOYSA-N 0 0 356.300 2.667 20 10 FFCDRN O=C(NCCCNc1ccccn1)NCc1ccc(N2CC=CC2)cc1 ZINC000127199641 508413021 /nfs/dbraw/zinc/41/30/21/508413021.db2.gz KPJXUJKZSIEBKQ-UHFFFAOYSA-N 0 0 351.454 2.759 20 10 FFCDRN Cc1ccc2nc(CSCC(=O)NCCc3ccc(O)c(O)c3)cn2c1 ZINC000156722152 508468500 /nfs/dbraw/zinc/46/85/00/508468500.db2.gz DDOKZWBDUUEIEY-UHFFFAOYSA-N 0 0 371.462 2.646 20 10 FFCDRN COc1ccc(C(=O)N2CCC([NH2+]Cc3ccccc3O)CC2)cc1OC ZINC000118452104 508650679 /nfs/dbraw/zinc/65/06/79/508650679.db2.gz RXLJPFMIPFDQEM-UHFFFAOYSA-N 0 0 370.449 2.804 20 10 FFCDRN O=C(/C=C/c1cccnc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000118725369 508666759 /nfs/dbraw/zinc/66/67/59/508666759.db2.gz LIOWXVZVNNRSEU-VMPITWQZSA-N 0 0 351.450 2.620 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccncc1Br ZINC000158241644 508677059 /nfs/dbraw/zinc/67/70/59/508677059.db2.gz SPUHNDLJBBGNQA-UHFFFAOYSA-N 0 0 362.227 2.949 20 10 FFCDRN Cc1noc(C)c1[C@H](C)CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000154183732 508732151 /nfs/dbraw/zinc/73/21/51/508732151.db2.gz PAGMEHISRMPWCU-CQSZACIVSA-N 0 0 372.469 2.731 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1noc2c1CCCCC2 ZINC000129561084 508740070 /nfs/dbraw/zinc/74/00/70/508740070.db2.gz FWAAAELXSHBFBV-UHFFFAOYSA-N 0 0 355.438 2.710 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000129588762 508743161 /nfs/dbraw/zinc/74/31/61/508743161.db2.gz FQDPTJMTLQLFJP-UYAOXDASSA-N 0 0 373.497 2.622 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCN1C(C)=O ZINC000137251240 508747312 /nfs/dbraw/zinc/74/73/12/508747312.db2.gz YJPLCHXADFZEEZ-AWEZNQCLSA-N 0 0 369.259 2.514 20 10 FFCDRN CC(C)[C@H](O)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000154535753 508803886 /nfs/dbraw/zinc/80/38/86/508803886.db2.gz CNYFQEVYTRSUKO-MRXNPFEDSA-N 0 0 371.428 2.573 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)cc1 ZINC000154726061 508843228 /nfs/dbraw/zinc/84/32/28/508843228.db2.gz ZNKSTDCAZXPUHC-FQEVSTJZSA-N 0 0 372.440 2.997 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N2CCc3c2c(F)ccc3F)cn1 ZINC000410975605 512428783 /nfs/dbraw/zinc/42/87/83/512428783.db2.gz NIQPGYKNNXNZOU-UHFFFAOYSA-N 0 0 357.364 2.785 20 10 FFCDRN COc1cc(N(C)CC(=O)N2CCc3ccccc3C2)cc(OC)c1OC ZINC000125767059 509027080 /nfs/dbraw/zinc/02/70/80/509027080.db2.gz HBWDCZJVTLQYOG-UHFFFAOYSA-N 0 0 370.449 2.734 20 10 FFCDRN CN(CCCNC(=O)NCc1ccc(N2CC=CC2)cc1)CC(F)(F)F ZINC000125946713 509048017 /nfs/dbraw/zinc/04/80/17/509048017.db2.gz TYBRESPUCFCLPC-UHFFFAOYSA-N 0 0 370.419 2.746 20 10 FFCDRN CC(C)(O)C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000133193008 509129894 /nfs/dbraw/zinc/12/98/94/509129894.db2.gz LIMVVILHLISFIS-UHFFFAOYSA-N 0 0 353.054 2.778 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCO[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000133406377 509156245 /nfs/dbraw/zinc/15/62/45/509156245.db2.gz PBGXLHWFDIMTRJ-UABRLCRWSA-N 0 0 358.350 2.952 20 10 FFCDRN CN(C)c1ccc([C@H]2Nc3ccc(N4CCOCC4)cc3C(=O)N2)cc1F ZINC000263937224 509236987 /nfs/dbraw/zinc/23/69/87/509236987.db2.gz ONELBRFFRNGRRW-IBGZPJMESA-N 0 0 370.428 2.582 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@@H](c4ncc[nH]4)C3)ccc21 ZINC000263977423 509260012 /nfs/dbraw/zinc/26/00/12/509260012.db2.gz ZRKJTYQMUCZEQV-QGZVFWFLSA-N 0 0 353.470 2.881 20 10 FFCDRN C[C@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000266967686 509281921 /nfs/dbraw/zinc/28/19/21/509281921.db2.gz KDWRCTHUZLCCBU-VGOFRKELSA-N 0 0 368.477 2.694 20 10 FFCDRN O=C(NCc1ccccc1O)[C@@H]1CCCN1c1ncnc2sccc21 ZINC000264058205 509308272 /nfs/dbraw/zinc/30/82/72/509308272.db2.gz VMDYGUHLVRWERX-AWEZNQCLSA-N 0 0 354.435 2.682 20 10 FFCDRN C[C@@H](C[S@@](C)=O)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000182572032 509310273 /nfs/dbraw/zinc/31/02/73/509310273.db2.gz BBBRZMRSQSGZJI-IZHWHUGBSA-N 0 0 351.516 2.585 20 10 FFCDRN O=C(NC[C@H]1CCCCN1C(=O)c1cccc(O)c1O)c1ccccc1 ZINC000185786099 509354655 /nfs/dbraw/zinc/35/46/55/509354655.db2.gz LSKADLQAOIGAJU-OAHLLOKOSA-N 0 0 354.406 2.523 20 10 FFCDRN O=C(CCn1cccn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173024856 509356072 /nfs/dbraw/zinc/35/60/72/509356072.db2.gz IXUDGFMOIQHXLF-AWEZNQCLSA-N 0 0 364.396 2.660 20 10 FFCDRN CC(=O)Nc1cccc(OCCNC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000264173677 509362923 /nfs/dbraw/zinc/36/29/23/509362923.db2.gz XHOOZMLHWWDOKJ-UHFFFAOYSA-N 0 0 370.453 2.589 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc(C(=O)NC3CC3)ccc2C)c1O ZINC000264271021 509425069 /nfs/dbraw/zinc/42/50/69/509425069.db2.gz UQOAOLMFNAJRJO-UHFFFAOYSA-N 0 0 369.421 2.923 20 10 FFCDRN CC(C)[C@@H](NC(=O)Cc1ccc(N)cc1)c1nc(-c2cccnc2)no1 ZINC000236617511 509465299 /nfs/dbraw/zinc/46/52/99/509465299.db2.gz LIXSBVPYCKKIRO-QGZVFWFLSA-N 0 0 351.410 2.770 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)n1C ZINC000267391993 509467925 /nfs/dbraw/zinc/46/79/25/509467925.db2.gz IJCXUCNCOCAGTG-UHFFFAOYSA-N 0 0 359.445 2.672 20 10 FFCDRN COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2=O)cc1 ZINC000186050005 509499806 /nfs/dbraw/zinc/49/98/06/509499806.db2.gz BFVBUADTESFAMO-FZKQIMNGSA-N 0 0 358.413 2.992 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(N(C)C)n1 ZINC000164429232 509502290 /nfs/dbraw/zinc/50/22/90/509502290.db2.gz UZDVUTMHRXDVII-UHFFFAOYSA-N 0 0 355.486 2.945 20 10 FFCDRN CCCn1nc(C)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000164444391 509503671 /nfs/dbraw/zinc/50/36/71/509503671.db2.gz OGLVLFDOPNKRAB-UHFFFAOYSA-N 0 0 374.460 2.816 20 10 FFCDRN CNC(=O)c1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000182944259 509509334 /nfs/dbraw/zinc/50/93/34/509509334.db2.gz CVCXGTTTXBOZSR-UHFFFAOYSA-N 0 0 354.410 2.543 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)cc1F ZINC000264461240 509542036 /nfs/dbraw/zinc/54/20/36/509542036.db2.gz RTVVURPECHXDQU-UHFFFAOYSA-N 0 0 370.428 2.700 20 10 FFCDRN COCCN(Cc1ccc(-n2ccnc2)nc1)c1ccc(OC)c(OC)c1 ZINC000267587847 509553610 /nfs/dbraw/zinc/55/36/10/509553610.db2.gz IAZBFWVJGBXNEA-UHFFFAOYSA-N 0 0 368.437 2.938 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186167229 509557289 /nfs/dbraw/zinc/55/72/89/509557289.db2.gz CFMZMILFCGIIAW-ZJUUUORDSA-N 0 0 367.298 2.631 20 10 FFCDRN COc1cc(F)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000173393595 509569233 /nfs/dbraw/zinc/56/92/33/509569233.db2.gz PKBLQRGJXKFBJL-UHFFFAOYSA-N 0 0 372.396 2.674 20 10 FFCDRN C[C@@H](COCC(F)(F)F)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264567162 509603682 /nfs/dbraw/zinc/60/36/82/509603682.db2.gz QBRGFZHBTYAOMU-GBXSZLQWSA-N 0 0 372.387 2.620 20 10 FFCDRN Cc1cc(C)c(CNC(=O)C=Cc2ccc(N3CCOCC3)cc2)c(=O)[nH]1 ZINC000264621169 509617972 /nfs/dbraw/zinc/61/79/72/509617972.db2.gz JISIIFIDQQZMKY-VMPITWQZSA-N 0 0 367.449 2.570 20 10 FFCDRN CCn1cnc2c1ncnc2NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000264696666 509653362 /nfs/dbraw/zinc/65/33/62/509653362.db2.gz PEQRRJWXFGDPIB-UHFFFAOYSA-N 0 0 366.469 2.667 20 10 FFCDRN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179882718 509659894 /nfs/dbraw/zinc/65/98/94/509659894.db2.gz HUJWNQZQTYJAGB-LLVKDONJSA-N 0 0 354.859 2.886 20 10 FFCDRN Cn1ccnc1[C@@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000183254736 509681808 /nfs/dbraw/zinc/68/18/08/509681808.db2.gz QWCVVFZLKXZUFI-IBGZPJMESA-N 0 0 358.461 2.761 20 10 FFCDRN CCOCc1cc(CN[C@H]2CS(=O)(=O)c3ccccc32)ccc1OC ZINC000267950172 509683527 /nfs/dbraw/zinc/68/35/27/509683527.db2.gz SXBFUZBQIYUVCE-KRWDZBQOSA-N 0 0 361.463 2.850 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)cc1 ZINC000170682381 509717912 /nfs/dbraw/zinc/71/79/12/509717912.db2.gz WWQJLBRASRGUPO-RBUKOAKNSA-N 0 0 357.498 2.798 20 10 FFCDRN COCCn1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)n1 ZINC000189755081 509735675 /nfs/dbraw/zinc/73/56/75/509735675.db2.gz ISMUEVZOLSBEFR-UHFFFAOYSA-N 0 0 356.470 2.696 20 10 FFCDRN Nc1ccc(CC(=O)N[C@@H]2CCN(c3ccccc3Br)C2)cc1 ZINC000237913325 509771555 /nfs/dbraw/zinc/77/15/55/509771555.db2.gz JLJBUCXUJQKMGP-OAHLLOKOSA-N 0 0 374.282 2.969 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(OC(F)F)cc1 ZINC000183424641 509780779 /nfs/dbraw/zinc/78/07/79/509780779.db2.gz AVKVCROLFLWVHA-LLVKDONJSA-N 0 0 351.349 2.989 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2ccccn2c1 ZINC000176984937 509799842 /nfs/dbraw/zinc/79/98/42/509799842.db2.gz WMXRABHDTLGYNK-UHFFFAOYSA-N 0 0 367.424 2.970 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000183468411 509809408 /nfs/dbraw/zinc/80/94/08/509809408.db2.gz BDZMSIQSOYNPNV-OIISXLGYSA-N 0 0 374.481 2.574 20 10 FFCDRN Nc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 ZINC000238083328 509818088 /nfs/dbraw/zinc/81/80/88/509818088.db2.gz IAVATSVDGCSEBH-UHFFFAOYSA-N 0 0 368.462 2.948 20 10 FFCDRN COC(=O)[C@H]1CC12CCN(C(=O)NCc1ccc3c(c1)CCCN3C)CC2 ZINC000265100886 509861239 /nfs/dbraw/zinc/86/12/39/509861239.db2.gz PHTBNBWLIHDJDL-QGZVFWFLSA-N 0 0 371.481 2.554 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cn(CC(=O)C(C)(C)C)nn1 ZINC000177136969 509893656 /nfs/dbraw/zinc/89/36/56/509893656.db2.gz OWTYTRHEDKHLBI-UHFFFAOYSA-N 0 0 358.442 2.651 20 10 FFCDRN Cc1cc(O)c(CNc2cccc(C(=O)N3CCC[C@H]3CO)n2)cc1C ZINC000190076429 509923989 /nfs/dbraw/zinc/92/39/89/509923989.db2.gz QRHCPHFDOMWOIO-INIZCTEOSA-N 0 0 355.438 2.613 20 10 FFCDRN CCOc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000174062862 509929063 /nfs/dbraw/zinc/92/90/63/509929063.db2.gz BLPCWPBHIJGWCU-UHFFFAOYSA-N 0 0 362.451 2.739 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)cc1F ZINC000177271584 509972458 /nfs/dbraw/zinc/97/24/58/509972458.db2.gz OMEQINMQSIDBBY-UHFFFAOYSA-N 0 0 365.386 2.766 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)N[C@H](C)c2cccs2)cc1 ZINC000183803929 509983480 /nfs/dbraw/zinc/98/34/80/509983480.db2.gz YCUYQGTVVSPEGP-CYBMUJFWSA-N 0 0 362.451 2.614 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000180597963 510006138 /nfs/dbraw/zinc/00/61/38/510006138.db2.gz YGQPTAOOBBVXME-UHFFFAOYSA-N 0 0 371.485 2.691 20 10 FFCDRN Cc1cc(C(=O)N2CCNC[C@H]2c2nccn2C)c(C)n1-c1ccccc1 ZINC000261725861 510041244 /nfs/dbraw/zinc/04/12/44/510041244.db2.gz MBQCAUCPLOWRBM-IBGZPJMESA-N 0 0 363.465 2.614 20 10 FFCDRN COCCOc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(C)c1 ZINC000268645118 510052074 /nfs/dbraw/zinc/05/20/74/510052074.db2.gz YLUJXJJURIBNEN-UHFFFAOYSA-N 0 0 360.410 2.796 20 10 FFCDRN CCCc1cnc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000190322447 510064013 /nfs/dbraw/zinc/06/40/13/510064013.db2.gz SLYICDXUPIHAAE-UHFFFAOYSA-N 0 0 372.494 2.951 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(NC(=O)C2CCCCC2)CC1 ZINC000180717815 510069960 /nfs/dbraw/zinc/06/99/60/510069960.db2.gz ZKRNUIVVZPCYPM-VQHVLOKHSA-N 0 0 372.465 2.799 20 10 FFCDRN O=C(CSc1nnc2ccccn21)NCc1c(O)ccc2c1CCCC2 ZINC000184027331 510094241 /nfs/dbraw/zinc/09/42/41/510094241.db2.gz NSWUPWSHQBMGIR-UHFFFAOYSA-N 0 0 368.462 2.722 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](O)C2CCOCC2)c(C)n1-c1ccccc1C ZINC000265550078 510110607 /nfs/dbraw/zinc/11/06/07/510110607.db2.gz PTALOYXSRNUVBM-HXUWFJFHSA-N 0 0 356.466 2.920 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2cccc(OCC(C)C)c2)c1O ZINC000265585635 510128454 /nfs/dbraw/zinc/12/84/54/510128454.db2.gz QZAGFZWRRMAINH-UHFFFAOYSA-N 0 0 372.421 2.691 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3nc4cccnc4s3)CC2)cc1F ZINC000193982177 510160821 /nfs/dbraw/zinc/16/08/21/510160821.db2.gz OTFAVFBGVHUNPW-UHFFFAOYSA-N 0 0 372.425 2.801 20 10 FFCDRN CCC(CC)C(=O)N1CCC(NC(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180952491 510203573 /nfs/dbraw/zinc/20/35/73/510203573.db2.gz FBGYCHJVWWHIHT-SOFGYWHQSA-N 0 0 360.454 2.654 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3CC[C@H](C)C3)cc2)CC1 ZINC000190571354 510214773 /nfs/dbraw/zinc/21/47/73/510214773.db2.gz HMVAKVVHPLCEDO-QFBILLFUSA-N 0 0 357.498 2.798 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(F)ccc3F)cc2)CC1 ZINC000190571461 510214849 /nfs/dbraw/zinc/21/48/49/510214849.db2.gz LAMMWBSZTIETKI-UHFFFAOYSA-N 0 0 373.403 2.563 20 10 FFCDRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccccc1O ZINC000269072849 510221822 /nfs/dbraw/zinc/22/18/22/510221822.db2.gz AHNMEJJZOKIWEE-AWEZNQCLSA-N 0 0 368.499 2.997 20 10 FFCDRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000265846026 510260874 /nfs/dbraw/zinc/26/08/74/510260874.db2.gz AKVJBLUVBYFTRG-QZTJIDSGSA-N 0 0 370.497 2.509 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](C3OCCO3)C2)cc1 ZINC000171646322 510275858 /nfs/dbraw/zinc/27/58/58/510275858.db2.gz HXGYPPDMVZJECM-QGZVFWFLSA-N 0 0 361.486 2.827 20 10 FFCDRN COCCN(Cc1ccccn1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265976042 510335193 /nfs/dbraw/zinc/33/51/93/510335193.db2.gz VTEATXFAXOWIAY-UHFFFAOYSA-N 0 0 366.465 2.816 20 10 FFCDRN C[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nnc2ccccn21 ZINC000174836966 510336814 /nfs/dbraw/zinc/33/68/14/510336814.db2.gz QSGCARUJFUSOEK-ZDUSSCGKSA-N 0 0 365.437 2.874 20 10 FFCDRN C[C@H](CNC(=O)OC(C)(C)C)N(C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000171811902 510385803 /nfs/dbraw/zinc/38/58/03/510385803.db2.gz RBFODODZXZIIGM-CQSZACIVSA-N 0 0 364.490 2.807 20 10 FFCDRN COCCCNC(=O)CN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000269601698 510479679 /nfs/dbraw/zinc/47/96/79/510479679.db2.gz ASTUFZGVHCJIHM-UHFFFAOYSA-N 0 0 350.390 2.587 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000266353881 510535316 /nfs/dbraw/zinc/53/53/16/510535316.db2.gz PSOYUOFEDLAUIQ-UHFFFAOYSA-N 0 0 351.406 2.677 20 10 FFCDRN Cc1cccc(F)c1S(=O)(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000184994725 510622445 /nfs/dbraw/zinc/62/24/45/510622445.db2.gz MUHJMHZWLXSFLO-UHFFFAOYSA-N 0 0 350.415 2.788 20 10 FFCDRN COCC(C)(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269999264 510634330 /nfs/dbraw/zinc/63/43/30/510634330.db2.gz AKGGTHIKTFCVJS-OKILXGFUSA-N 0 0 352.450 2.728 20 10 FFCDRN Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000266549445 510653142 /nfs/dbraw/zinc/65/31/42/510653142.db2.gz NAXRBTFYWHJFER-KRWDZBQOSA-N 0 0 354.454 2.881 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(O[C@H]2CCOC2)c1 ZINC000185054319 510658694 /nfs/dbraw/zinc/65/86/94/510658694.db2.gz YVRJXCOLJMEITG-IBGZPJMESA-N 0 0 367.449 2.780 20 10 FFCDRN CCc1cc(N2CCC(NC(=O)N(C)Cc3ccccc3O)CC2)ncn1 ZINC000175476706 510659983 /nfs/dbraw/zinc/65/99/83/510659983.db2.gz ZZAAWVOEEFLDCR-UHFFFAOYSA-N 0 0 369.469 2.555 20 10 FFCDRN CC[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS1 ZINC000175674350 510726503 /nfs/dbraw/zinc/72/65/03/510726503.db2.gz WIGZKNNWFWEBQJ-HNNXBMFYSA-N 0 0 367.490 2.699 20 10 FFCDRN Cc1[nH]nc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c1C ZINC000270237910 510730441 /nfs/dbraw/zinc/73/04/41/510730441.db2.gz JEDASLZNBWDNBR-GOSISDBHSA-N 0 0 356.470 2.914 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)CC[C@H]2C)c(C)n1-c1ccccc1 ZINC000191761603 510818928 /nfs/dbraw/zinc/81/89/28/510818928.db2.gz PMCWNGVGAWCWEN-CQSZACIVSA-N 0 0 360.479 2.743 20 10 FFCDRN CCNC(=O)CCCC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000175841972 510819807 /nfs/dbraw/zinc/81/98/07/510819807.db2.gz YUYOTRXICVALOZ-UHFFFAOYSA-N 0 0 371.275 2.810 20 10 FFCDRN CN(c1ccc(CNC(=O)NCCn2cncn2)cc1)C1CCCCC1 ZINC000263750031 510826580 /nfs/dbraw/zinc/82/65/80/510826580.db2.gz FOBKAGKZELBINU-UHFFFAOYSA-N 0 0 356.474 2.546 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)Cc1ccc(O)cc1 ZINC000285475149 510921677 /nfs/dbraw/zinc/92/16/77/510921677.db2.gz MMTXLPKKFBPXAH-OAHLLOKOSA-N 0 0 370.449 2.584 20 10 FFCDRN CSCc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000275995870 510923689 /nfs/dbraw/zinc/92/36/89/510923689.db2.gz FXOPHNWQIXDZGI-GFCCVEGCSA-N 0 0 374.462 2.647 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ccccc3[N+](=O)[O-])cc2)CC1 ZINC000276244362 510930166 /nfs/dbraw/zinc/93/01/66/510930166.db2.gz CPTXYLCJVYDJBS-UHFFFAOYSA-N 0 0 354.410 2.875 20 10 FFCDRN Cc1nnccc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000360776191 510947588 /nfs/dbraw/zinc/94/75/88/510947588.db2.gz PSVLBWSGRREFQZ-CYBMUJFWSA-N 0 0 362.380 2.785 20 10 FFCDRN COc1cc(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])ccc1OCCO ZINC000276967689 510951166 /nfs/dbraw/zinc/95/11/66/510951166.db2.gz SWWKBUOHSQGIRC-LLVKDONJSA-N 0 0 353.365 2.901 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000294153949 510974016 /nfs/dbraw/zinc/97/40/16/510974016.db2.gz BKMBIWMZCDLCNK-CYBMUJFWSA-N 0 0 371.466 2.587 20 10 FFCDRN CSCCCCCCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285627744 510984675 /nfs/dbraw/zinc/98/46/75/510984675.db2.gz DXKITWKCEMMURG-UHFFFAOYSA-N 0 0 369.506 2.548 20 10 FFCDRN COc1c(O)c(CNc2ccccc2C[S@@](C)=O)ccc1[N+](=O)[O-] ZINC000278514969 510995892 /nfs/dbraw/zinc/99/58/92/510995892.db2.gz QQCMHDDARNVAIN-XMMPIXPASA-N 0 0 350.396 2.800 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H](c2ccsc2)N(C)C)ccc1[N+](=O)[O-] ZINC000278631967 511001602 /nfs/dbraw/zinc/00/16/02/511001602.db2.gz HBPIYTXRIHMKHH-AWEZNQCLSA-N 0 0 351.428 2.763 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3nc(Cl)cs3)CC2)cc1F ZINC000278678823 511002913 /nfs/dbraw/zinc/00/29/13/511002913.db2.gz HYSAIUFFCZJMBM-UHFFFAOYSA-N 0 0 355.822 2.907 20 10 FFCDRN CO[C@@H]1COCC[C@@H]1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000297609884 511008327 /nfs/dbraw/zinc/00/83/27/511008327.db2.gz GPRNZUKABVTZLF-GDBMZVCRSA-N 0 0 366.421 2.776 20 10 FFCDRN Cc1nccnc1CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000297617312 511010929 /nfs/dbraw/zinc/01/09/29/511010929.db2.gz XHXOARLIUYRIDY-UHFFFAOYSA-N 0 0 353.470 2.768 20 10 FFCDRN CC[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000285978752 511016203 /nfs/dbraw/zinc/01/62/03/511016203.db2.gz HMQJYXTVWGPDTA-IRXDYDNUSA-N 0 0 351.466 2.515 20 10 FFCDRN CC[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccccc3O)sc2C1 ZINC000279023053 511017408 /nfs/dbraw/zinc/01/74/08/511017408.db2.gz GZAPMMLGQGHQCU-NSHDSACASA-N 0 0 359.451 2.619 20 10 FFCDRN CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000286013655 511017844 /nfs/dbraw/zinc/01/78/44/511017844.db2.gz ZSRGBWOBSDCJMG-AEFFLSMTSA-N 0 0 365.437 2.814 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@H](C(F)(F)F)[C@H](CO)C2)cc1OC ZINC000286510790 511027312 /nfs/dbraw/zinc/02/73/12/511027312.db2.gz YXXARYTVZYEFAG-VHSXEESVSA-N 0 0 364.320 2.609 20 10 FFCDRN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287614877 511054881 /nfs/dbraw/zinc/05/48/81/511054881.db2.gz ZRZNXCWMMDIWRQ-IEBWSBKVSA-N 0 0 370.497 2.555 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccc3oc(=O)[nH]c3c2)C2CC2)cc1 ZINC000287717087 511055966 /nfs/dbraw/zinc/05/59/66/511055966.db2.gz VGFILJFMMYSADI-UHFFFAOYSA-N 0 0 351.406 2.992 20 10 FFCDRN CCc1cccnc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000271013122 511056843 /nfs/dbraw/zinc/05/68/43/511056843.db2.gz XODGIALUHCMZLR-UHFFFAOYSA-N 0 0 357.429 2.674 20 10 FFCDRN COC(OC)c1ccc(C(=O)NCc2cccc(Br)c2O)o1 ZINC000288596700 511080588 /nfs/dbraw/zinc/08/05/88/511080588.db2.gz YHOLPILKADKAQQ-UHFFFAOYSA-N 0 0 370.199 2.969 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCc3nc(C)ncc3C2)c(C)n1-c1ccccn1 ZINC000361828660 511100287 /nfs/dbraw/zinc/10/02/87/511100287.db2.gz ATPADHJMLALEQG-KRWDZBQOSA-N 0 0 361.449 2.875 20 10 FFCDRN Cc1cc(C(F)(F)F)nn1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000289403936 511100669 /nfs/dbraw/zinc/10/06/69/511100669.db2.gz SYXKGTOYQBCRRR-UHFFFAOYSA-N 0 0 354.376 2.935 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+](CCCO)Cc2ccccn2)c1[O-] ZINC000289441838 511101773 /nfs/dbraw/zinc/10/17/73/511101773.db2.gz MBBTVUDIQGJXAS-UHFFFAOYSA-N 0 0 351.790 2.733 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000289603446 511106279 /nfs/dbraw/zinc/10/62/79/511106279.db2.gz SYHFYFIHHLHDMK-YZGWKJHDSA-N 0 0 358.482 2.687 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000289692157 511109318 /nfs/dbraw/zinc/10/93/18/511109318.db2.gz CYHOGTGNLYPKPP-HNNXBMFYSA-N 0 0 352.406 2.556 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOC[C@H]1[C@@H]1CCCO1 ZINC000332820238 511120606 /nfs/dbraw/zinc/12/06/06/511120606.db2.gz AFTJMSNDNSKBPF-OALUTQOASA-N 0 0 357.454 2.576 20 10 FFCDRN CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1O ZINC000290249378 511132993 /nfs/dbraw/zinc/13/29/93/511132993.db2.gz JTOZRVSRNBPKKM-JTQLQIEISA-N 0 0 350.278 2.629 20 10 FFCDRN C[C@](O)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000294662387 511135442 /nfs/dbraw/zinc/13/54/42/511135442.db2.gz RHVCHDBLFPPYKH-HXUWFJFHSA-N 0 0 374.868 2.701 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1snnc1C1CC1 ZINC000290481892 511143133 /nfs/dbraw/zinc/14/31/33/511143133.db2.gz QXQKYQMWLTUIDW-UHFFFAOYSA-N 0 0 354.229 2.814 20 10 FFCDRN NC(=O)C(=O)Nc1cccc(NCc2ccc(N3CCCCC3)cc2)c1 ZINC000282878418 511145816 /nfs/dbraw/zinc/14/58/16/511145816.db2.gz CIUOKUBIIASHDY-UHFFFAOYSA-N 0 0 352.438 2.713 20 10 FFCDRN COCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(=O)OC ZINC000290859225 511151271 /nfs/dbraw/zinc/15/12/71/511151271.db2.gz AETLHWAJSCRHII-QGZVFWFLSA-N 0 0 362.401 2.541 20 10 FFCDRN CCOCc1nc([C@@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)no1 ZINC000291163932 511161070 /nfs/dbraw/zinc/16/10/70/511161070.db2.gz GAUMBJHRIUSMNE-CYBMUJFWSA-N 0 0 373.457 2.549 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)[C@@H]2CCc3ccccc32)cc1 ZINC000298067947 511164623 /nfs/dbraw/zinc/16/46/23/511164623.db2.gz LTDBSVLPSNFJIA-HXUWFJFHSA-N 0 0 365.477 2.857 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNCc3cn4cccnc4n3)cc2F)C[C@H](C)O1 ZINC000298220328 511213829 /nfs/dbraw/zinc/21/38/29/511213829.db2.gz AJDUJPCFVMYZFD-GASCZTMLSA-N 0 0 369.444 2.772 20 10 FFCDRN C[C@H](c1cccs1)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298251647 511223959 /nfs/dbraw/zinc/22/39/59/511223959.db2.gz LJBGJFYNVPQBOP-CQSZACIVSA-N 0 0 359.495 2.992 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000294950447 511232856 /nfs/dbraw/zinc/23/28/56/511232856.db2.gz SAQZHMRCGOHRKV-JBWGPMFCSA-N 0 0 368.477 2.706 20 10 FFCDRN CC(C)[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000271592180 511256825 /nfs/dbraw/zinc/25/68/25/511256825.db2.gz XCMXBPLNPYFSOH-MJGOQNOKSA-N 0 0 361.486 2.526 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(NC(C)=O)nc1 ZINC000279984295 511291500 /nfs/dbraw/zinc/29/15/00/511291500.db2.gz KADCGJNRCXIIGR-UHFFFAOYSA-N 0 0 356.426 2.867 20 10 FFCDRN COC(=O)c1cnc(S[C@@H](C(=O)NCc2ccco2)C(C)C)s1 ZINC000295154338 511302029 /nfs/dbraw/zinc/30/20/29/511302029.db2.gz FSFNCQVUUBCHIS-GFCCVEGCSA-N 0 0 354.453 2.956 20 10 FFCDRN CO[C@@H]1CCC[C@@H](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000280022879 511307663 /nfs/dbraw/zinc/30/76/63/511307663.db2.gz VIECFJVFAODWKV-NVXWUHKLSA-N 0 0 364.461 2.874 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(OC)cc1 ZINC000283339264 511327019 /nfs/dbraw/zinc/32/70/19/511327019.db2.gz RWQBRJMHCCJSHE-UHFFFAOYSA-N 0 0 370.449 2.846 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCc1ccccc1 ZINC000298561438 511329837 /nfs/dbraw/zinc/32/98/37/511329837.db2.gz DLWPDHGWSQAPEM-UHFFFAOYSA-N 0 0 354.450 2.832 20 10 FFCDRN COc1ccc(OC)c(C2=NO[C@H](C(=O)N(C)Cc3ccccc3O)C2)c1 ZINC000280144308 511352144 /nfs/dbraw/zinc/35/21/44/511352144.db2.gz AZEURBFFPAYYJG-IBGZPJMESA-N 0 0 370.405 2.561 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H](c2ccccc2)N2CCCCC2=O)c1 ZINC000365275950 511356547 /nfs/dbraw/zinc/35/65/47/511356547.db2.gz VPCPCOQVKBOGLL-FQEVSTJZSA-N 0 0 368.433 2.771 20 10 FFCDRN CCOC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000298640465 511358140 /nfs/dbraw/zinc/35/81/40/511358140.db2.gz DDBUDXWQMQXKGH-UHFFFAOYSA-N 0 0 355.438 2.904 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@@H](c2ccccc2)OC1=O ZINC000291896808 511381822 /nfs/dbraw/zinc/38/18/22/511381822.db2.gz JPYVEPFAZJBIDR-AEFFLSMTSA-N 0 0 366.417 2.782 20 10 FFCDRN COC(=O)c1cnc(SCc2cc(-c3cnn(C)c3C)no2)s1 ZINC000295399002 511391992 /nfs/dbraw/zinc/39/19/92/511391992.db2.gz WACGEEVGUGMFJM-UHFFFAOYSA-N 0 0 350.425 2.919 20 10 FFCDRN CCC(=O)N[C@H](CCSC)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000298758803 511401246 /nfs/dbraw/zinc/40/12/46/511401246.db2.gz RJTUSVCSYZQXQJ-QGZVFWFLSA-N 0 0 365.543 2.749 20 10 FFCDRN CCn1nc(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)n1 ZINC000298770436 511405584 /nfs/dbraw/zinc/40/55/84/511405584.db2.gz QSDOCVVXFJPDCN-UHFFFAOYSA-N 0 0 369.391 2.877 20 10 FFCDRN COC[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363195913 511410609 /nfs/dbraw/zinc/41/06/09/511410609.db2.gz JOIDBKHTHVGVNI-LBPRGKRZSA-N 0 0 357.401 2.591 20 10 FFCDRN COc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(O)c1 ZINC000298819009 511419141 /nfs/dbraw/zinc/41/91/41/511419141.db2.gz ZTARXNFLGGPHGR-INIZCTEOSA-N 0 0 357.406 2.928 20 10 FFCDRN COc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(O)c1 ZINC000298819012 511420714 /nfs/dbraw/zinc/42/07/14/511420714.db2.gz ZTARXNFLGGPHGR-MRXNPFEDSA-N 0 0 357.406 2.928 20 10 FFCDRN CC[C@@H]1NC(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O ZINC000272077958 511423769 /nfs/dbraw/zinc/42/37/69/511423769.db2.gz FDEOSDBEDMMURK-OCCSQVGLSA-N 0 0 353.369 2.587 20 10 FFCDRN Nc1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000283636717 511443727 /nfs/dbraw/zinc/44/37/27/511443727.db2.gz UKPQRYMQGBOYGO-UHFFFAOYSA-N 0 0 360.389 2.889 20 10 FFCDRN Cc1ncsc1CCC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000298890254 511444401 /nfs/dbraw/zinc/44/44/01/511444401.db2.gz LELWUCRCJMPIDM-UHFFFAOYSA-N 0 0 373.522 2.909 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000280465240 511475433 /nfs/dbraw/zinc/47/54/33/511475433.db2.gz FZWGPRIJLCIXBK-NSHDSACASA-N 0 0 355.394 2.735 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC[C@@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000363316914 511477628 /nfs/dbraw/zinc/47/76/28/511477628.db2.gz QZZLNLFZUFPEQH-DRDHIDPGSA-N 0 0 370.409 2.584 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCCCO1 ZINC000283774794 511495695 /nfs/dbraw/zinc/49/56/95/511495695.db2.gz PZINKHWBEHMMOJ-UHFFFAOYSA-N 0 0 373.375 2.779 20 10 FFCDRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272488398 511496628 /nfs/dbraw/zinc/49/66/28/511496628.db2.gz RKINAJXHHOZPSP-CFNZNRNTSA-N 0 0 362.426 2.579 20 10 FFCDRN COc1cc(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(OC)c1 ZINC000273194910 511520880 /nfs/dbraw/zinc/52/08/80/511520880.db2.gz QJBPTSKUQGYFHC-IYNGYCSASA-N 0 0 357.406 2.876 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)c(F)c2)SC1=S ZINC000292337946 511558646 /nfs/dbraw/zinc/55/86/46/511558646.db2.gz CRCVTTPYEADOAR-LCYFTJDESA-N 0 0 369.439 2.989 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2COc3ccccc3[C@H]2O)c(C)n1-c1ccccn1 ZINC000365610520 511558943 /nfs/dbraw/zinc/55/89/43/511558943.db2.gz RLSPTVGERCYNHV-YLJYHZDGSA-N 0 0 363.417 2.714 20 10 FFCDRN CN(C(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000280692099 511566393 /nfs/dbraw/zinc/56/63/93/511566393.db2.gz RHMZLXWSZWCLHY-LBPRGKRZSA-N 0 0 350.415 2.569 20 10 FFCDRN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000295985906 511580005 /nfs/dbraw/zinc/58/00/05/511580005.db2.gz QGYCNFVKVFMPSM-AORWBKJGSA-N 0 0 364.442 2.921 20 10 FFCDRN Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000284073322 511595995 /nfs/dbraw/zinc/59/59/95/511595995.db2.gz QJDKBESYKNZFPD-MRXNPFEDSA-N 0 0 353.466 2.897 20 10 FFCDRN COc1cc(N2CCN(Cc3scnc3C)CC2)cc(OC)c1OC ZINC000273766666 511601753 /nfs/dbraw/zinc/60/17/53/511601753.db2.gz PZUDVLYFBQHMJF-UHFFFAOYSA-N 0 0 363.483 2.800 20 10 FFCDRN COCCn1c(C)c(C)c2cc(-c3nc(CCNC(C)=O)no3)ccc21 ZINC000273892111 511646126 /nfs/dbraw/zinc/64/61/26/511646126.db2.gz SKVISDXVXZJGQT-UHFFFAOYSA-N 0 0 356.426 2.633 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@@]12CCCO2 ZINC000273943738 511663893 /nfs/dbraw/zinc/66/38/93/511663893.db2.gz KMHLZEKHGXJDRG-ZVDOUQERSA-N 0 0 373.497 2.813 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNc3nc(C(N)=O)cs3)cc2F)C[C@H](C)O1 ZINC000292643117 511670098 /nfs/dbraw/zinc/67/00/98/511670098.db2.gz ZCIQHSBBJZPCKE-PHIMTYICSA-N 0 0 364.446 2.607 20 10 FFCDRN Fc1cc(CNc2ccc3nnc(C4CC4)n3n2)ccc1N1CCOCC1 ZINC000301180509 511689733 /nfs/dbraw/zinc/68/97/33/511689733.db2.gz PPSFLXFYIMTXGQ-UHFFFAOYSA-N 0 0 368.416 2.590 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](Oc4cccc(F)c4)C3)cc2N1 ZINC000302116820 511706224 /nfs/dbraw/zinc/70/62/24/511706224.db2.gz CIKKYTCZSPOWIE-CYBMUJFWSA-N 0 0 373.340 2.723 20 10 FFCDRN CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2ccc(C)cc2O)CC1 ZINC000296510643 511773141 /nfs/dbraw/zinc/77/31/41/511773141.db2.gz PMOVRIZMQPSQKF-BSEYFRJRSA-N 0 0 353.484 2.538 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000281259963 511778193 /nfs/dbraw/zinc/77/81/93/511778193.db2.gz APSXYFYLJCWNCU-LBPRGKRZSA-N 0 0 355.394 2.587 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1csc(Cl)n1 ZINC000274407614 511824311 /nfs/dbraw/zinc/82/43/11/511824311.db2.gz FXPBVZATOWULHA-UHFFFAOYSA-N 0 0 369.849 2.827 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c(C)n1-c1ccc(F)cc1 ZINC000366077260 511826605 /nfs/dbraw/zinc/82/66/05/511826605.db2.gz KGYDLHDZWCMSFG-FQEVSTJZSA-N 0 0 355.413 2.585 20 10 FFCDRN COc1ccc(N2CCN(Cc3cn(C)nc3C(F)F)CC2)cc1F ZINC000274525847 511863664 /nfs/dbraw/zinc/86/36/64/511863664.db2.gz ZUWMMFUFHPULKI-UHFFFAOYSA-N 0 0 354.376 2.828 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(OC)c(OCCO)c1 ZINC000281510469 511872771 /nfs/dbraw/zinc/87/27/71/511872771.db2.gz IOJROJPZKOQSLK-UHFFFAOYSA-N 0 0 359.422 2.824 20 10 FFCDRN C[C@H](Cc1ccccc1F)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284811743 511880531 /nfs/dbraw/zinc/88/05/31/511880531.db2.gz XOULXFKAFHLVSF-OAHLLOKOSA-N 0 0 371.456 2.598 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCCS3(=O)=O)cc2)CC1 ZINC000274831028 511955594 /nfs/dbraw/zinc/95/55/94/511955594.db2.gz ZCLDVEABNAPQRR-SFHVURJKSA-N 0 0 364.511 2.506 20 10 FFCDRN COCCCOc1cccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000274903439 511981208 /nfs/dbraw/zinc/98/12/08/511981208.db2.gz GVMFVPPIOALKOY-CQSZACIVSA-N 0 0 359.422 2.874 20 10 FFCDRN COc1cccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(O)c2O)c1 ZINC000274936028 511992506 /nfs/dbraw/zinc/99/25/06/511992506.db2.gz FILHBEYCMAFXGU-MRXNPFEDSA-N 0 0 357.406 2.928 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000274952523 511996147 /nfs/dbraw/zinc/99/61/47/511996147.db2.gz RSWMWKQZWHKUCD-QWHCGFSZSA-N 0 0 366.458 2.648 20 10 FFCDRN CO[C@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000297049193 512001766 /nfs/dbraw/zinc/00/17/66/512001766.db2.gz OSYLMAXBWLDALF-AIADIJKESA-N 0 0 358.482 2.810 20 10 FFCDRN CC(C)[C@@H]([NH2+]Cc1cc(Cl)c(F)cc1[O-])c1nc(-c2nc[nH]n2)no1 ZINC000293539282 512002359 /nfs/dbraw/zinc/00/23/59/512002359.db2.gz FSXGZNLVWHVHLI-GFCCVEGCSA-N 0 0 366.784 2.840 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N2CCN(C)c3ccc(F)cc32)cn1 ZINC000275009460 512014466 /nfs/dbraw/zinc/01/44/66/512014466.db2.gz JDAYAPDNHZRNNH-UHFFFAOYSA-N 0 0 368.416 2.539 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NCc1ccc(O)c(O)c1 ZINC000293604643 512024236 /nfs/dbraw/zinc/02/42/36/512024236.db2.gz DVZXRSOBEIUXDW-AWEZNQCLSA-N 0 0 364.442 2.894 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)cc1 ZINC000293610866 512026223 /nfs/dbraw/zinc/02/62/23/512026223.db2.gz DAGPONJQNQQXCD-MRXNPFEDSA-N 0 0 360.479 2.601 20 10 FFCDRN CN(c1ccc(CNC(=O)[C@@H]2CCc3nncn3C2)cc1)C1CCCCC1 ZINC000366600983 512099585 /nfs/dbraw/zinc/09/95/85/512099585.db2.gz JOAOPPMROXFARF-QGZVFWFLSA-N 0 0 367.497 2.926 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3ccoc3C3(O)CCOCC3)ccc21 ZINC000373831997 512528159 /nfs/dbraw/zinc/52/81/59/512528159.db2.gz PROSCQXYCVUDDF-UHFFFAOYSA-N 0 0 370.449 2.590 20 10 FFCDRN CC(=O)CSCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000369798599 512617116 /nfs/dbraw/zinc/61/71/16/512617116.db2.gz FSADEKRXDCZGMO-UHFFFAOYSA-N 0 0 372.437 2.695 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c(O)c1 ZINC000374049214 512640094 /nfs/dbraw/zinc/64/00/94/512640094.db2.gz GPLQNXWEGDBEST-UHFFFAOYSA-N 0 0 353.382 2.816 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@H]2c2ncon2)c(C)n1-c1cccc(C)c1 ZINC000378363684 512718355 /nfs/dbraw/zinc/71/83/55/512718355.db2.gz MNPIATWONDVUIW-SFHVURJKSA-N 0 0 366.421 2.999 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@H]3CCO[C@H](C)C3)CC2)cc1 ZINC000374283613 512744910 /nfs/dbraw/zinc/74/49/10/512744910.db2.gz MBCRJOUERNHALP-SJORKVTESA-N 0 0 361.486 2.732 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](c2nccn2C)c2ccccc2F)c(O)c1O ZINC000378561895 512824573 /nfs/dbraw/zinc/82/45/73/512824573.db2.gz VJZNTNNPVCXMRR-HNNXBMFYSA-N 0 0 355.369 2.798 20 10 FFCDRN COC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCC1 ZINC000378631070 512858261 /nfs/dbraw/zinc/85/82/61/512858261.db2.gz YNQSABIKYQGLFU-UHFFFAOYSA-N 0 0 354.397 2.942 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)SCC(=O)N3)cc1F ZINC000368242358 512860606 /nfs/dbraw/zinc/86/06/06/512860606.db2.gz PRUCIKGICPUDLH-UHFFFAOYSA-N 0 0 359.426 2.866 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)c1 ZINC000368268791 512875253 /nfs/dbraw/zinc/87/52/53/512875253.db2.gz ZVYUYJQCRYHALA-AWEZNQCLSA-N 0 0 373.428 2.866 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@H](c3ncon3)C2)c(C)n1-c1cccc(C)c1 ZINC000368618704 513028920 /nfs/dbraw/zinc/02/89/20/513028920.db2.gz WRKZPVDQZSBJEP-SFHVURJKSA-N 0 0 366.421 2.999 20 10 FFCDRN C[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1[O-] ZINC000368623469 513031805 /nfs/dbraw/zinc/03/18/05/513031805.db2.gz IVVSRDYSBIGDDR-ZDUSSCGKSA-N 0 0 363.433 2.827 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCc3n[nH]cc3C2)C2CC2)cc1 ZINC000370733797 513076212 /nfs/dbraw/zinc/07/62/12/513076212.db2.gz PQFCBLYUXPKUOX-MRXNPFEDSA-N 0 0 353.470 2.707 20 10 FFCDRN CC(=O)Nc1cccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000424704246 513247530 /nfs/dbraw/zinc/24/75/30/513247530.db2.gz WJROEKQOXFRNRU-UHFFFAOYSA-N 0 0 353.422 2.679 20 10 FFCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N1CCc2ccccc2C1 ZINC000437010642 514074609 /nfs/dbraw/zinc/07/46/09/514074609.db2.gz FFOFMGDCPTXIAV-INIZCTEOSA-N 0 0 365.477 2.925 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@@H]3CC(N)=O)ccc21 ZINC000486043566 515311415 /nfs/dbraw/zinc/31/14/15/515311415.db2.gz JLSAELBRPPZGGL-QGZVFWFLSA-N 0 0 371.481 2.775 20 10 FFCDRN Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)c1cccc2nsnc21 ZINC000531367976 516433243 /nfs/dbraw/zinc/43/32/43/516433243.db2.gz DBOSWTOWKAUSSW-LLVKDONJSA-N 0 0 361.448 2.976 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000528858296 516755543 /nfs/dbraw/zinc/75/55/43/516755543.db2.gz 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[O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000093017717 728473378 /nfs/dbraw/zinc/47/33/78/728473378.db2.gz CWQPGLAZEXQEPH-CQSZACIVSA-N 0 0 369.303 2.699 20 10 FFCDRN O=C(CN1CCN(Cc2cc(Cl)ccc2O)CC1)NC1CCCCC1 ZINC000093053844 728473632 /nfs/dbraw/zinc/47/36/32/728473632.db2.gz NLVONZXVSGWVCA-UHFFFAOYSA-N 0 0 365.905 2.612 20 10 FFCDRN CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(F)c1 ZINC000094158724 728479837 /nfs/dbraw/zinc/47/98/37/728479837.db2.gz CRUSSCDOZJODQG-UHFFFAOYSA-N 0 0 366.414 2.568 20 10 FFCDRN COC(=O)CN(Cc1cn2ccccc2n1)Cc1cc(Cl)ccc1O ZINC000111238257 728535380 /nfs/dbraw/zinc/53/53/80/728535380.db2.gz PPOQCJUYPHELAJ-UHFFFAOYSA-N 0 0 359.813 2.869 20 10 FFCDRN CC(C)(C)CNC(=O)C(C)(C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000121092926 728620699 /nfs/dbraw/zinc/62/06/99/728620699.db2.gz SUDXWUBTLXAJHI-UHFFFAOYSA-N 0 0 357.838 2.984 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCO1 ZINC000123018761 728654189 /nfs/dbraw/zinc/65/41/89/728654189.db2.gz 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C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1ccns1 ZINC000858954602 730437846 /nfs/dbraw/zinc/43/78/46/730437846.db2.gz XNRBEDWVOCYHNO-ZDUSSCGKSA-N 0 0 360.483 2.665 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCC[S@](C)=O)ccc1C ZINC000859317368 730450034 /nfs/dbraw/zinc/45/00/34/730450034.db2.gz FTZJJLKFRJPKQZ-VWLOTQADSA-N 0 0 360.479 2.713 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cccc(Cn2cncn2)c1 ZINC000859351993 730451388 /nfs/dbraw/zinc/45/13/88/730451388.db2.gz LSAMGBJYYUYFDJ-UHFFFAOYSA-N 0 0 359.480 2.695 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1c(F)ccc(C(F)(F)F)c1Br ZINC000860240521 730493015 /nfs/dbraw/zinc/49/30/15/730493015.db2.gz BUZFFTOFBLVYKL-UHFFFAOYSA-N 0 0 371.080 2.922 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@@H](C)CS(=O)(=O)N(C)C ZINC000861155927 730581729 /nfs/dbraw/zinc/58/17/29/730581729.db2.gz RCDMYNCGORSNIO-ZDUSSCGKSA-N 0 0 370.496 2.592 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)C1(C(F)(F)F)CCOCC1 ZINC000862025436 730662327 /nfs/dbraw/zinc/66/23/27/730662327.db2.gz UGXCTFUPCVZHRI-UHFFFAOYSA-N 0 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ZINC000870165480 731477858 /nfs/dbraw/zinc/47/78/58/731477858.db2.gz DDOXPPWMBXCWKO-UHFFFAOYSA-N 0 0 350.415 2.867 20 10 FFCDRN CCOC1CC2(C[C@H]2N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000871915520 731700653 /nfs/dbraw/zinc/70/06/53/731700653.db2.gz JIORZEPNPNTVSU-NSWWBONSSA-N 0 0 364.829 2.767 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](C(F)F)CC1 ZINC000875099505 732127896 /nfs/dbraw/zinc/12/78/96/732127896.db2.gz RQBNKVOKKNVZGH-INIZCTEOSA-N 0 0 353.413 2.852 20 10 FFCDRN CCC[C@@H](CCO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000875102760 732128330 /nfs/dbraw/zinc/12/83/30/732128330.db2.gz TZCMKPYEUQXGNB-INIZCTEOSA-N 0 0 351.516 2.590 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NCC[C@H](O)C(F)F)cc2)CC1 ZINC000875259270 732139183 /nfs/dbraw/zinc/13/91/83/732139183.db2.gz MXVFZJOPCSATON-INIZCTEOSA-N 0 0 355.429 2.738 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@H](C(F)(F)F)CC1 ZINC000875301091 732142146 /nfs/dbraw/zinc/14/21/46/732142146.db2.gz LWZVYILOSNBMJD-OAHLLOKOSA-N 0 0 359.392 2.924 20 10 FFCDRN C[C@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)c1ccccc1O ZINC000875454275 732156941 /nfs/dbraw/zinc/15/69/41/732156941.db2.gz VPAMCGXPRXNSEY-XJKSGUPXSA-N 0 0 362.451 2.538 20 10 FFCDRN Cc1ccc(C(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)c(O)c1O ZINC000780922706 738588447 /nfs/dbraw/zinc/58/84/47/738588447.db2.gz MBXRTEOKHUDYHP-UHFFFAOYSA-N 0 0 350.415 2.536 20 10 FFCDRN Cc1cn(C(C)(C)C(=O)NCCc2ccc(N)cc2)nc1C(F)(F)F ZINC000876528090 732254861 /nfs/dbraw/zinc/25/48/61/732254861.db2.gz KRJHBZUAHUQWPY-UHFFFAOYSA-N 0 0 354.376 2.887 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](CO)c2ccc(C(F)(F)F)cc2)c(O)c1O ZINC000780997512 738592575 /nfs/dbraw/zinc/59/25/75/738592575.db2.gz FWZCZGRJYNJPHO-ZDUSSCGKSA-N 0 0 355.312 2.888 20 10 FFCDRN [O-]c1c(C[NH2+]C[C@@H](c2cccs2)N2CCOCC2)ccc(F)c1F ZINC000876889890 732292398 /nfs/dbraw/zinc/29/23/98/732292398.db2.gz QOIKWPPPAHXMKN-AWEZNQCLSA-N 0 0 354.422 2.895 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000878300332 732511473 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CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCOC[C@@H]1C ZINC000881801689 733111401 /nfs/dbraw/zinc/11/14/01/733111401.db2.gz BDYSFUPGMZMKDS-YJBOKZPZSA-N 0 0 354.516 2.718 20 10 FFCDRN COc1ccc(Cl)cc1CC(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782203612 738697596 /nfs/dbraw/zinc/69/75/96/738697596.db2.gz RVYUDIPBQLYUQW-UHFFFAOYSA-N 0 0 350.754 2.728 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1CCO[C@]2(CCOC2)C1 ZINC000883082077 733329356 /nfs/dbraw/zinc/32/93/56/733329356.db2.gz VZCZIZVWAYEMFB-IUODEOHRSA-N 0 0 360.223 2.722 20 10 FFCDRN O=C1[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CCN1C1CCC1 ZINC000883191486 733348740 /nfs/dbraw/zinc/34/87/40/733348740.db2.gz CDNOXRSVHRETFD-CYBMUJFWSA-N 0 0 357.223 2.537 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@@H]2CCCS2(=O)=O)c1 ZINC000883298354 733362686 /nfs/dbraw/zinc/36/26/86/733362686.db2.gz PYZZSIDRGWIQNT-LBPRGKRZSA-N 0 0 362.289 2.520 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)[C@@H](C)O1 ZINC000782560417 738734223 /nfs/dbraw/zinc/73/42/23/738734223.db2.gz KQAZDGUQUJVJOD-BZUAXINKSA-N 0 0 363.527 2.947 20 10 FFCDRN COC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000886355507 733776512 /nfs/dbraw/zinc/77/65/12/733776512.db2.gz JPGZILVVPULBJV-IINYFYTJSA-N 0 0 362.239 2.825 20 10 FFCDRN COc1cc(Br)cc(CN[C@@H](CCO)C(F)(F)F)c1O ZINC000886371022 733778168 /nfs/dbraw/zinc/77/81/68/733778168.db2.gz CISPHSIJFVAEDT-JTQLQIEISA-N 0 0 358.154 2.566 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCS(=O)(=O)[C@H](C)C1 ZINC000887187908 733891351 /nfs/dbraw/zinc/89/13/51/733891351.db2.gz OAZMOFIVGRNGPY-ZIAGYGMSSA-N 0 0 366.508 2.851 20 10 FFCDRN O=C(NCc1nc2c(s1)COCC2)NCc1cc(Cl)ccc1O ZINC000927691900 738770643 /nfs/dbraw/zinc/77/06/43/738770643.db2.gz WKQXKOROBJTUSH-UHFFFAOYSA-N 0 0 353.831 2.574 20 10 FFCDRN C[C@H](NC(=O)N1CC[C@@](CO)(C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000888829338 734103085 /nfs/dbraw/zinc/10/30/85/734103085.db2.gz DRQHSEFGDSWSRD-BLLLJJGKSA-N 0 0 359.392 2.770 20 10 FFCDRN O=C(COC(=O)c1ccc(Br)cc1O)c1ccc(O)c(O)c1 ZINC000783256922 738795742 /nfs/dbraw/zinc/79/57/42/738795742.db2.gz RVLJDDXQWMYGJK-UHFFFAOYSA-N 0 0 367.151 2.606 20 10 FFCDRN CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1cccc(Cl)c1O ZINC000890759856 734336626 /nfs/dbraw/zinc/33/66/26/734336626.db2.gz SIJHKHCTVQMXHU-LBPRGKRZSA-N 0 0 372.849 2.592 20 10 FFCDRN CCOCn1nc(C)c(CC(=O)NCc2cccc(Cl)c2O)c1C ZINC000890761016 734336649 /nfs/dbraw/zinc/33/66/49/734336649.db2.gz IKPXPJBYDAQJCW-UHFFFAOYSA-N 0 0 351.834 2.712 20 10 FFCDRN CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1cccc(Cl)c1O ZINC000890760070 734336656 /nfs/dbraw/zinc/33/66/56/734336656.db2.gz ZWGRFLRBQQBFIK-GFCCVEGCSA-N 0 0 361.891 2.903 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCN(Cc2ccccc2)C1=O ZINC000890762837 734337133 /nfs/dbraw/zinc/33/71/33/734337133.db2.gz KIYXWWDPKKBINI-OAHLLOKOSA-N 0 0 358.825 2.711 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H]1CCCCO1 ZINC000725825894 734394293 /nfs/dbraw/zinc/39/42/93/734394293.db2.gz JBSHBRDYPYBFEY-SFHVURJKSA-N 0 0 354.516 2.862 20 10 FFCDRN CS(=O)(=O)Cc1c2ccccc2oc1C(=O)NCc1ccccc1O ZINC000726623054 734437693 /nfs/dbraw/zinc/43/76/93/734437693.db2.gz WPECIPFXKMDENW-UHFFFAOYSA-N 0 0 359.403 2.613 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C/c2cccc(OC3CCCC3)c2)SC1=S ZINC000727175721 734470269 /nfs/dbraw/zinc/47/02/69/734470269.db2.gz GBBNSVXIQCAQDL-ZROIWOOFSA-N 0 0 362.476 2.695 20 10 FFCDRN C[C@H](C1CC1)N(C)S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000727449588 734482998 /nfs/dbraw/zinc/48/29/98/734482998.db2.gz VNZMCMDJJGCYIT-CQSZACIVSA-N 0 0 351.516 2.692 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1O ZINC000727762210 734499698 /nfs/dbraw/zinc/49/96/98/734499698.db2.gz CKWSSVNADKBTGE-JTQLQIEISA-N 0 0 358.419 2.764 20 10 FFCDRN CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000728979265 734552459 /nfs/dbraw/zinc/55/24/59/734552459.db2.gz SRMYUYMKKZGZQW-IUODEOHRSA-N 0 0 366.483 2.670 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(S(C)(=O)=O)c2)c1 ZINC000729032804 734555788 /nfs/dbraw/zinc/55/57/88/734555788.db2.gz CRLDLKOJIDKPCC-LLVKDONJSA-N 0 0 364.423 2.687 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cc(F)c(F)cc2F)cc1 ZINC000729853172 734599022 /nfs/dbraw/zinc/59/90/22/734599022.db2.gz GVMWOVVDXPZSTD-UHFFFAOYSA-N 0 0 358.385 2.991 20 10 FFCDRN COC(=O)C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(OC)c(OC)c1 ZINC000731865249 734701576 /nfs/dbraw/zinc/70/15/76/734701576.db2.gz MDSMJNYZUKEOLT-GFCCVEGCSA-N 0 0 365.407 2.505 20 10 FFCDRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000893477955 734706153 /nfs/dbraw/zinc/70/61/53/734706153.db2.gz LQDIYJWNXIHCKZ-XCMOZONUSA-N 0 0 358.891 2.925 20 10 FFCDRN C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000732272945 734729209 /nfs/dbraw/zinc/72/92/09/734729209.db2.gz UAPGFXKGIILPPL-NSHDSACASA-N 0 0 360.435 2.602 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000893995360 734784077 /nfs/dbraw/zinc/78/40/77/734784077.db2.gz VLGTVFVHIUCVQI-JTQLQIEISA-N 0 0 360.223 2.879 20 10 FFCDRN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894014555 734786737 /nfs/dbraw/zinc/78/67/37/734786737.db2.gz MQLUVBJZCQBXGT-ZDUSSCGKSA-N 0 0 371.250 2.881 20 10 FFCDRN Cc1cc(N2CCC(NC(=O)NCc3cccc(Cl)c3O)CC2)n[nH]1 ZINC000894336583 734840284 /nfs/dbraw/zinc/84/02/84/734840284.db2.gz WXKBNURZDNAKOB-UHFFFAOYSA-N 0 0 363.849 2.545 20 10 FFCDRN COC(=O)CCSCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000733783718 734848251 /nfs/dbraw/zinc/84/82/51/734848251.db2.gz PHCOWUDUELKYSN-UHFFFAOYSA-N 0 0 361.467 2.515 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCNC(=O)[C@@H]1c1ccccc1C(F)(F)F ZINC000783923971 738849142 /nfs/dbraw/zinc/84/91/42/738849142.db2.gz OXEYHILIMUOVPY-ZDUSSCGKSA-N 0 0 370.352 2.786 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@H]1COc2ccccc2O1 ZINC000734512292 734901460 /nfs/dbraw/zinc/90/14/60/734901460.db2.gz GJYQVIOKLUSEOC-LBPRGKRZSA-N 0 0 365.480 2.765 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)Cc2cc(C)on2)cc1 ZINC000735312164 734940520 /nfs/dbraw/zinc/94/05/20/734940520.db2.gz UXOBMVPAYUOHMU-UHFFFAOYSA-N 0 0 351.472 2.791 20 10 FFCDRN COc1cc(C)cc(CNc2cccc(S(=O)(=O)N(C)C)c2C)c1O ZINC000894944768 734941303 /nfs/dbraw/zinc/94/13/03/734941303.db2.gz TTYKMWQOBRJEHF-UHFFFAOYSA-N 0 0 364.467 2.880 20 10 FFCDRN COc1ccc(N2CCN(c3cc(C(F)F)ncn3)CC2)c(OC)c1 ZINC000895002175 734950455 /nfs/dbraw/zinc/95/04/55/734950455.db2.gz FUYZXJATBGOJBE-UHFFFAOYSA-N 0 0 350.369 2.758 20 10 FFCDRN CSC[C@@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000736375172 734983959 /nfs/dbraw/zinc/98/39/59/734983959.db2.gz IMQVIUPMJMHZRM-MCIONIFRSA-N 0 0 369.506 2.990 20 10 FFCDRN C[C@@H]1CSCCN1C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000737712199 735013831 /nfs/dbraw/zinc/01/38/31/735013831.db2.gz QAVHUTNGZMTRKL-CQSZACIVSA-N 0 0 364.536 2.979 20 10 FFCDRN COc1cc(Br)cc(CNCc2nc(C(F)F)no2)c1O ZINC000895727960 735048815 /nfs/dbraw/zinc/04/88/15/735048815.db2.gz YDGWISGYPFDNHP-UHFFFAOYSA-N 0 0 364.146 2.774 20 10 FFCDRN CCc1c(Cl)nc(CS(C)(=O)=O)nc1NCc1c(O)cccc1F ZINC000895832474 735061319 /nfs/dbraw/zinc/06/13/19/735061319.db2.gz HKLJKPDXKGQUJE-UHFFFAOYSA-N 0 0 373.837 2.694 20 10 FFCDRN Clc1ncccc1-c1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900599841 735666909 /nfs/dbraw/zinc/66/69/09/735666909.db2.gz BYBKCRAXQZALSG-UHFFFAOYSA-N 0 0 355.829 2.878 20 10 FFCDRN O=S1(=O)CCN(c2ccc(CNc3ncc(Cl)cc3F)cc2)CC1 ZINC000750787928 735815441 /nfs/dbraw/zinc/81/54/41/735815441.db2.gz COHFNSZIMSUUHK-UHFFFAOYSA-N 0 0 369.849 2.721 20 10 FFCDRN COC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)Cc2ccccc2O)c1 ZINC000751236266 735855941 /nfs/dbraw/zinc/85/59/41/735855941.db2.gz RXMIWXSYYPENNV-UHFFFAOYSA-N 0 0 369.826 2.653 20 10 FFCDRN CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751929596 735936626 /nfs/dbraw/zinc/93/66/26/735936626.db2.gz AAXSFDJEONOAFS-VXGBXAGGSA-N 0 0 361.467 2.776 20 10 FFCDRN Cc1nsc(C)c1-c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000752872997 736019324 /nfs/dbraw/zinc/01/93/24/736019324.db2.gz HMEQMLVXYCGTSZ-UHFFFAOYSA-N 0 0 366.424 2.554 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cn(C)nc2Br)c1 ZINC000903188494 736051771 /nfs/dbraw/zinc/05/17/71/736051771.db2.gz RSWLZFHKWHKFKQ-VIFPVBQESA-N 0 0 368.231 2.526 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC3(COC(=O)N3)CC2)c1 ZINC000753587573 736079825 /nfs/dbraw/zinc/07/98/25/736079825.db2.gz PJFFMMGTNSGVIJ-UHFFFAOYSA-N 0 0 355.232 2.538 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(OC(F)F)c(F)c1 ZINC000754686703 736187564 /nfs/dbraw/zinc/18/75/64/736187564.db2.gz VXVWQWWXGIECDA-WQLSENKSSA-N 0 0 358.341 2.730 20 10 FFCDRN Cc1cncc(/C=C\C(=O)N2CCOc3ncc(Br)cc32)c1 ZINC000754812046 736202202 /nfs/dbraw/zinc/20/22/02/736202202.db2.gz VZFFKHZMCUVJES-IHWYPQMZSA-N 0 0 360.211 2.986 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(F)(F)c1nccs1 ZINC000756437357 736331039 /nfs/dbraw/zinc/33/10/39/736331039.db2.gz LRCXESRDSGOHFI-UHFFFAOYSA-N 0 0 367.421 2.730 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756459526 736333104 /nfs/dbraw/zinc/33/31/04/736333104.db2.gz OUFBPUZWDWXZMP-BXUZGUMPSA-N 0 0 350.346 2.530 20 10 FFCDRN CC(C)N1C[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CC1=O ZINC000756737385 736356654 /nfs/dbraw/zinc/35/66/54/736356654.db2.gz LQUNCQUKQVOAFW-NXEZZACHSA-N 0 0 359.239 2.954 20 10 FFCDRN C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756776242 736360777 /nfs/dbraw/zinc/36/07/77/736360777.db2.gz AJPUZFPWUCHPKG-LLVKDONJSA-N 0 0 351.403 2.818 20 10 FFCDRN COC[C@@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756779544 736360907 /nfs/dbraw/zinc/36/09/07/736360907.db2.gz SDFZTGSFTMAQBC-WPRPVWTQSA-N 0 0 352.656 2.856 20 10 FFCDRN C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000757659793 736417301 /nfs/dbraw/zinc/41/73/01/736417301.db2.gz QATZKEBWEDCKEN-OTYXRUKQSA-N 0 0 362.239 2.732 20 10 FFCDRN S=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCCO1 ZINC000758199579 736462276 /nfs/dbraw/zinc/46/22/76/736462276.db2.gz YRYROSOEBHYQJS-QGZVFWFLSA-N 0 0 365.568 2.773 20 10 FFCDRN Cc1nnc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)s1 ZINC000758357560 736479292 /nfs/dbraw/zinc/47/92/92/736479292.db2.gz UIZKYNGVUCNJFY-ZDUSSCGKSA-N 0 0 366.874 2.600 20 10 FFCDRN O=C(O[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1cccc(O)c1O ZINC000758562462 736501918 /nfs/dbraw/zinc/50/19/18/736501918.db2.gz RUWASLQTUVMWLS-CQSZACIVSA-N 0 0 365.744 2.853 20 10 FFCDRN COc1ccc(CNC(=O)NCCCSc2nccs2)cc1O ZINC000759562876 736577499 /nfs/dbraw/zinc/57/74/99/736577499.db2.gz QMORSEPUASJGCE-UHFFFAOYSA-N 0 0 353.469 2.839 20 10 FFCDRN CCOC(=O)N[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000759602519 736580135 /nfs/dbraw/zinc/58/01/35/736580135.db2.gz WLHDINWMMVNANK-GFCCVEGCSA-N 0 0 372.516 2.545 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CC[C@@H]2CCCO2)cc1 ZINC000760539306 736648509 /nfs/dbraw/zinc/64/85/09/736648509.db2.gz BLYVLMQSNSJBIA-SFHVURJKSA-N 0 0 352.500 2.616 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)N[C@]3(CCSC3)C2=O)cc1F ZINC000761247764 736713231 /nfs/dbraw/zinc/71/32/31/736713231.db2.gz FGYMSJMKADKEAF-KRWDZBQOSA-N 0 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Cc1cc(CCNS(=O)(=O)N2CCC[C@H]2C)c(C)n1-c1ccccc1 ZINC000770237711 737608651 /nfs/dbraw/zinc/60/86/51/737608651.db2.gz GHADLBCBOJELKN-OAHLLOKOSA-N 0 0 361.511 2.955 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000770278512 737611483 /nfs/dbraw/zinc/61/14/83/737611483.db2.gz MPJGVSUTYPULFN-GFCCVEGCSA-N 0 0 358.419 2.989 20 10 FFCDRN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncs1 ZINC000771056678 737689927 /nfs/dbraw/zinc/68/99/27/737689927.db2.gz GJTYWXYTRWPFCT-CYBMUJFWSA-N 0 0 351.859 2.897 20 10 FFCDRN CC[C@@H]1CO[C@H](C)CN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000916625663 737716497 /nfs/dbraw/zinc/71/64/97/737716497.db2.gz NQSYRSAQNMEMIC-NVXWUHKLSA-N 0 0 363.527 2.949 20 10 FFCDRN CCCCSCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000919968996 737885210 /nfs/dbraw/zinc/88/52/10/737885210.db2.gz ADIDSCOWZJKSPV-UHFFFAOYSA-N 0 0 354.491 2.936 20 10 FFCDRN CSc1ncc(Cl)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000773743856 737932477 /nfs/dbraw/zinc/93/24/77/737932477.db2.gz 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CC(=O)NCCCCCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000922601091 738171843 /nfs/dbraw/zinc/17/18/43/738171843.db2.gz WJGWCKXWKUIWQY-UHFFFAOYSA-N 0 0 361.467 2.779 20 10 FFCDRN Cc1ccc(F)c(NC(=S)NNc2cccc(S(C)(=O)=O)c2)c1 ZINC000776266151 738175745 /nfs/dbraw/zinc/17/57/45/738175745.db2.gz DVSCVUHWSPFEQF-UHFFFAOYSA-N 0 0 353.444 2.851 20 10 FFCDRN CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000776520494 738202435 /nfs/dbraw/zinc/20/24/35/738202435.db2.gz MXCLDVSMSNSUSN-HNNXBMFYSA-N 0 0 350.242 2.881 20 10 FFCDRN C[C@@H](C[S@](C)=O)N(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000776521773 738202765 /nfs/dbraw/zinc/20/27/65/738202765.db2.gz UEIKPLPOSDMHHW-BSEYFRJRSA-N 0 0 353.488 2.784 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2nc3c(s2)COCC3)c1[O-] ZINC000922965756 738226093 /nfs/dbraw/zinc/22/60/93/738226093.db2.gz YYBBDIODZQHLCG-UHFFFAOYSA-N 0 0 355.803 2.773 20 10 FFCDRN CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000776809707 738235222 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FFCDRN CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000804231468 740855105 /nfs/dbraw/zinc/85/51/05/740855105.db2.gz QPTJYETXMOMWGF-CYBMUJFWSA-N 0 0 350.415 2.619 20 10 FFCDRN COCc1cnc(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)s1 ZINC000804244668 740856687 /nfs/dbraw/zinc/85/66/87/740856687.db2.gz HPRVTIOHTMYZGP-UHFFFAOYSA-N 0 0 367.814 2.617 20 10 FFCDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cc(Br)ccc1O ZINC000804734462 740900658 /nfs/dbraw/zinc/90/06/58/740900658.db2.gz MBIQGIWZLLACTE-UHFFFAOYSA-N 0 0 366.171 2.696 20 10 FFCDRN CC(C)c1nn(C)cc1C(=O)NCc1cc(Br)ccc1O ZINC000804734376 740900721 /nfs/dbraw/zinc/90/07/21/740900721.db2.gz CKHSMWKZYUNJMT-UHFFFAOYSA-N 0 0 352.232 2.942 20 10 FFCDRN C[S@@](=O)c1cccc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804737306 740901523 /nfs/dbraw/zinc/90/15/23/740901523.db2.gz OATREPHAPBNFJV-OAQYLSRUSA-N 0 0 368.252 2.822 20 10 FFCDRN COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000804739896 740902244 /nfs/dbraw/zinc/90/22/44/740902244.db2.gz XVPUCOUOWMCLPK-MNOVXSKESA-N 0 0 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CKQNKYVKLWARKT-UHFFFAOYSA-N 0 0 350.802 2.905 20 10 FFCDRN CC[C@@H](CSC)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838534108 746660015 /nfs/dbraw/zinc/66/00/15/746660015.db2.gz CAVKNJDBOJOGJL-ZDUSSCGKSA-N 0 0 373.469 2.742 20 10 FFCDRN CC(C)=CCCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838564869 746666834 /nfs/dbraw/zinc/66/68/34/746666834.db2.gz AZQCMBMRMHAGNR-UHFFFAOYSA-N 0 0 353.413 2.957 20 10 FFCDRN CC(F)(F)CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838629340 746679126 /nfs/dbraw/zinc/67/91/26/746679126.db2.gz RHEMHXATKNWNDH-UHFFFAOYSA-N 0 0 363.355 2.646 20 10 FFCDRN Cc1nn(C)c(Cl)c1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839146666 746787929 /nfs/dbraw/zinc/78/79/29/746787929.db2.gz QDIGYQSYJKQJJY-UHFFFAOYSA-N 0 0 370.831 2.787 20 10 FFCDRN CS(=O)(=O)c1ccc(CN(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000839515886 746844862 /nfs/dbraw/zinc/84/48/62/746844862.db2.gz DKPSXEGJZYVPAA-OAHLLOKOSA-N 0 0 365.451 2.570 20 10 FFCDRN CC(=O)c1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000839580978 746861204 /nfs/dbraw/zinc/86/12/04/746861204.db2.gz VRKRHMDLYDILIJ-GFCCVEGCSA-N 0 0 359.451 2.673 20 10 FFCDRN COC(=O)C[C@H](Cc1cc(F)c(F)cc1F)NC(=O)C1=CC(=O)CS1 ZINC000839914065 746960287 /nfs/dbraw/zinc/96/02/87/746960287.db2.gz QCBYWLNCMJRFPK-VIFPVBQESA-N 0 0 373.352 2.775 20 10 FFCDRN Cc1sc(=O)n(CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1C ZINC000839917256 746960867 /nfs/dbraw/zinc/96/08/67/746960867.db2.gz CEHZWRHBLJHGTA-CYBMUJFWSA-N 0 0 361.511 2.648 20 10 FFCDRN C[C@H]1CN(Cc2cc3c(cc2O)CCC3)CCN1C(=O)c1cscn1 ZINC000840154754 747021404 /nfs/dbraw/zinc/02/14/04/747021404.db2.gz WCNPOAHYDYFKBP-ZDUSSCGKSA-N 0 0 357.479 2.684 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CS1 ZINC000840263285 747051575 /nfs/dbraw/zinc/05/15/75/747051575.db2.gz ODAUQRIFXOGUHL-YOEHRIQHSA-N 0 0 363.527 2.589 20 10 FFCDRN Cn1ncc2c1CCCN(C(=O)NCCCSc1nccs1)C2 ZINC000840324577 747065339 /nfs/dbraw/zinc/06/53/39/747065339.db2.gz DVJNUHGIEQCWBF-UHFFFAOYSA-N 0 0 351.501 2.517 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1nn(C)cc1Cl ZINC000840384520 747080935 /nfs/dbraw/zinc/08/09/35/747080935.db2.gz IDOGQCKNQRDFKL-ZDUSSCGKSA-N 0 0 363.893 2.878 20 10 FFCDRN COCc1cc(O)ccc1NS(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000840916774 747223858 /nfs/dbraw/zinc/22/38/58/747223858.db2.gz DJPLBXUASRMLPF-UHFFFAOYSA-N 0 0 366.395 2.864 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(S(C)(=O)=O)s1 ZINC000840938408 747234776 /nfs/dbraw/zinc/23/47/76/747234776.db2.gz DJBQYYLHJNBDQT-UHFFFAOYSA-N 0 0 352.481 2.617 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C[C@@H]2CCC(=O)N2)C(C)C)c1 ZINC000840975509 747249031 /nfs/dbraw/zinc/24/90/31/747249031.db2.gz HAWKTKFANDTHSH-ZDUSSCGKSA-N 0 0 355.276 2.952 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC000841381310 747330352 /nfs/dbraw/zinc/33/03/52/747330352.db2.gz DGKXITVJAGLXTD-LSDHHAIUSA-N 0 0 354.516 2.559 20 10 FFCDRN C[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1[O-] ZINC000841744652 747447644 /nfs/dbraw/zinc/44/76/44/747447644.db2.gz JPZZVXVAXKKTSV-NSHDSACASA-N 0 0 354.859 2.586 20 10 FFCDRN C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841752020 747448939 /nfs/dbraw/zinc/44/89/39/747448939.db2.gz PYGSNTCRDHBXGB-NSHDSACASA-N 0 0 358.891 2.653 20 10 FFCDRN Nc1ccc(CCNC(=O)NCCOc2ncc(Cl)cc2Cl)cc1 ZINC000841860357 747477891 /nfs/dbraw/zinc/47/78/91/747477891.db2.gz ODEWACJWCUGPBT-UHFFFAOYSA-N 0 0 369.252 2.891 20 10 FFCDRN Cc1cc(C(=O)CSC[C@@H]2COCCO2)c(C)n1-c1ccc(F)cn1 ZINC000842188534 747541644 /nfs/dbraw/zinc/54/16/44/747541644.db2.gz MJZXLKIOAXRZAL-HNNXBMFYSA-N 0 0 364.442 2.960 20 10 FFCDRN CO[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C12CCC2 ZINC000842260844 747559681 /nfs/dbraw/zinc/55/96/81/747559681.db2.gz KUINZAUKFJXGNH-GJZGRUSLSA-N 0 0 364.829 2.767 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc(C(N)=O)s3)C2)cc1 ZINC000842879431 747712538 /nfs/dbraw/zinc/71/25/38/747712538.db2.gz SEUVNGHPIVHHIO-LBPRGKRZSA-N 0 0 360.435 2.539 20 10 FFCDRN Cc1cc(C(=O)N(C)[C@@H](C)CO)c(C)n1-c1ccc(Br)cn1 ZINC000843839093 747908752 /nfs/dbraw/zinc/90/87/52/747908752.db2.gz XCQNFHDHYKBRGZ-NSHDSACASA-N 0 0 366.259 2.704 20 10 FFCDRN Cc1cc(C(=O)CN2C[C@@H]3C[C@H]2C[S@]3=O)c(C)n1-c1cccc(F)c1 ZINC000844431966 748027881 /nfs/dbraw/zinc/02/78/81/748027881.db2.gz ZDACYKJMMQSZFX-XOWTYJCDSA-N 0 0 360.454 2.621 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2nc(SC)ns2)cc1 ZINC000844562856 748051970 /nfs/dbraw/zinc/05/19/70/748051970.db2.gz SPZVFCWZDXJKPK-UHFFFAOYSA-N 0 0 367.500 2.869 20 10 FFCDRN CO[C@@H]1CCC[C@@H]([C@H]2NC(=O)N(CCCSc3nccs3)C2=O)C1 ZINC000844715352 748081951 /nfs/dbraw/zinc/08/19/51/748081951.db2.gz HZNMEBCGYMQGSM-JHJVBQTASA-N 0 0 369.512 2.751 20 10 FFCDRN C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1nnc2n1CCCCC2 ZINC000844957170 748145073 /nfs/dbraw/zinc/14/50/73/748145073.db2.gz HNNISEVUHSDMHK-LLVKDONJSA-N 0 0 363.849 2.924 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2cc(Cl)ccc2O)[C@@]12CCCO2 ZINC000845111612 748182942 /nfs/dbraw/zinc/18/29/42/748182942.db2.gz RBBRNIQOAURIMY-UXLLHSPISA-N 0 0 354.834 2.571 20 10 FFCDRN O=S(=O)(NCC1CC1)c1ccc(NCc2cc(Cl)ccc2O)nc1 ZINC000845709529 748312156 /nfs/dbraw/zinc/31/21/56/748312156.db2.gz UBNIVSSKXSMHEN-UHFFFAOYSA-N 0 0 367.858 2.741 20 10 FFCDRN CCC[C@H](C)S(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000845869912 748340138 /nfs/dbraw/zinc/34/01/38/748340138.db2.gz HJSWBTZTBDHPDW-HNNXBMFYSA-N 0 0 354.516 2.503 20 10 FFCDRN CCc1nc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)sc1C ZINC000846122313 748411894 /nfs/dbraw/zinc/41/18/94/748411894.db2.gz UICHKGQKTNRQEH-UHFFFAOYSA-N 0 0 353.831 2.628 20 10 FFCDRN CCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])CC1=O ZINC000846208827 748431183 /nfs/dbraw/zinc/43/11/83/748431183.db2.gz MEBXEQKSMAFUFC-ZJUUUORDSA-N 0 0 359.239 2.813 20 10 FFCDRN CCC[N@H+](CCc1cccs1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846257256 748442673 /nfs/dbraw/zinc/44/26/73/748442673.db2.gz XDBYMBPADQTWNL-UHFFFAOYSA-N 0 0 360.439 2.649 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000846472849 748487759 /nfs/dbraw/zinc/48/77/59/748487759.db2.gz NBWWFGCGJVHXJO-ZDUSSCGKSA-N 0 0 365.861 2.590 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)C1CCN(CC(F)(F)F)CC1 ZINC000846474076 748488190 /nfs/dbraw/zinc/48/81/90/748488190.db2.gz YFEZMHQDAYNXPM-UHFFFAOYSA-N 0 0 350.768 2.936 20 10 FFCDRN Cn1c(CC(=O)NCCCSc2nccs2)nnc1-c1ccccc1 ZINC000847487868 748710390 /nfs/dbraw/zinc/71/03/90/748710390.db2.gz MPAYIXCDJUWSJP-UHFFFAOYSA-N 0 0 373.507 2.780 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)C(=O)CC3)c1 ZINC000848436744 748925614 /nfs/dbraw/zinc/92/56/14/748925614.db2.gz BVKVOYUZTBVSOQ-NSHDSACASA-N 0 0 361.419 2.569 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)cc(F)c1[O-] ZINC000848573404 748963673 /nfs/dbraw/zinc/96/36/73/748963673.db2.gz ZMPUOXFBQHYJTP-LDYMZIIASA-N 0 0 373.222 2.928 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)S(=O)(=O)c2cccnc2)cc1 ZINC000849338079 749105829 /nfs/dbraw/zinc/10/58/29/749105829.db2.gz VVSNGGHGIUFMEH-UHFFFAOYSA-N 0 0 373.400 2.901 20 10 FFCDRN CO[C@@H](CS(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C)[C@@H]1CCOC1 ZINC000849399505 749133334 /nfs/dbraw/zinc/13/33/34/749133334.db2.gz KQXYFFWRYONUJP-KDOFPFPSSA-N 0 0 367.467 2.555 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)C[C@@H]3CCCC3(F)F)C2)cc1 ZINC000849417065 749143414 /nfs/dbraw/zinc/14/34/14/749143414.db2.gz IDYVALRYTPVGAG-KBPBESRZSA-N 0 0 374.453 2.629 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccc(F)s2)cc1 ZINC000850169585 749315119 /nfs/dbraw/zinc/31/51/19/749315119.db2.gz RJUPAYFLXFSWEG-UHFFFAOYSA-N 0 0 350.415 2.769 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2nc(C(C)C)c(C)s2)c1O ZINC000850378293 749356260 /nfs/dbraw/zinc/35/62/60/749356260.db2.gz XGMMSSGSKXBXMW-UHFFFAOYSA-N 0 0 363.439 2.544 20 10 FFCDRN CO[C@H](C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])[C@@H]1CCOC1 ZINC000850484314 749371097 /nfs/dbraw/zinc/37/10/97/749371097.db2.gz GQVKAOWQSMMDMJ-IQMDTDKHSA-N 0 0 362.239 2.996 20 10 FFCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OCCS(C)(=O)=O)cc2)c1 ZINC000850490153 749372739 /nfs/dbraw/zinc/37/27/39/749372739.db2.gz WCJRGGKLDSMWPG-CYBMUJFWSA-N 0 0 365.451 2.997 20 10 FFCDRN COc1cc(F)ccc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851755937 749662939 /nfs/dbraw/zinc/66/29/39/749662939.db2.gz UOIIEKRSGNVPMZ-UHFFFAOYSA-N 0 0 364.442 2.913 20 10 FFCDRN C[C@]1(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCCS1 ZINC000852201764 749800775 /nfs/dbraw/zinc/80/07/75/749800775.db2.gz NLTXWQMTJBBTIL-LJQANCHMSA-N 0 0 363.527 2.733 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN[C@]2(C(=O)OC(C)(C)C)CCOC2)c1O ZINC000852491371 749875418 /nfs/dbraw/zinc/87/54/18/749875418.db2.gz AWKSSFRCSPKZNM-GOSISDBHSA-N 0 0 369.845 2.839 20 10 FFCDRN CCSC1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000852627344 749908269 /nfs/dbraw/zinc/90/82/69/749908269.db2.gz CHHWVQNICBOFNX-UHFFFAOYSA-N 0 0 363.527 2.950 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CC[C@]4(C3)CCCOC4)cs2)cc1 ZINC000852914900 749972554 /nfs/dbraw/zinc/97/25/54/749972554.db2.gz KDSRFIXVTOTHSE-IBGZPJMESA-N 0 0 357.479 2.959 20 10 FFCDRN Cc1ccn([C@@H](C)CC(=O)NCc2cc(Br)ccc2O)n1 ZINC000854442262 750308881 /nfs/dbraw/zinc/30/88/81/750308881.db2.gz LZOUEIGOUJHTST-NSHDSACASA-N 0 0 352.232 2.927 20 10 FFCDRN C[C@H](Sc1nccs1)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000052914513 845265052 /nfs/dbraw/zinc/26/50/52/845265052.db2.gz UTCLFNCKXKAJIH-RYUDHWBXSA-N 0 0 350.465 2.922 20 10 FFCDRN CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1F ZINC000055319105 845327546 /nfs/dbraw/zinc/32/75/46/845327546.db2.gz PGMQKTWMXKJULL-UHFFFAOYSA-N 0 0 368.386 2.554 20 10 FFCDRN C[S@](=O)c1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000058448980 845397058 /nfs/dbraw/zinc/39/70/58/845397058.db2.gz NPRCSZAVAGGRCN-RUZDIDTESA-N 0 0 374.531 2.907 20 10 FFCDRN CNC(=O)NC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1F ZINC000176437104 845710335 /nfs/dbraw/zinc/71/03/35/845710335.db2.gz DCFGGRAIXOUZNC-UHFFFAOYSA-N 0 0 363.776 2.578 20 10 FFCDRN Nc1ccc(Br)c2c1CN(C(=O)c1cccc(O)c1O)CC2 ZINC000390099618 845841456 /nfs/dbraw/zinc/84/14/56/845841456.db2.gz HEPGYKRPDKNMSZ-UHFFFAOYSA-N 0 0 363.211 2.641 20 10 FFCDRN COc1cccc(CN[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1O ZINC000401636907 845878155 /nfs/dbraw/zinc/87/81/55/845878155.db2.gz DKNMSYBBYLQWDA-GFCCVEGCSA-N 0 0 364.364 2.946 20 10 FFCDRN Cc1cnc2c(C(=O)NCc3ccc(N4CCSCC4)cc3)cnn2c1 ZINC000895771545 970934456 /nfs/dbraw/zinc/93/44/56/970934456.db2.gz LHWIWPNRBQOTQN-UHFFFAOYSA-N 0 0 367.478 2.521 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CC(Cc2ccoc2)C1 ZINC000895880219 971022965 /nfs/dbraw/zinc/02/29/65/971022965.db2.gz XJDWOCRXMHCDTG-UHFFFAOYSA-N 0 0 369.465 2.625 20 10 FFCDRN Cc1cc(=O)c(C(=O)N[C@@H](C)c2ccccc2O)nn1-c1ccccc1F ZINC001151892126 1032058742 /nfs/dbraw/zinc/05/87/42/1032058742.db2.gz JWLYXVSVHVZDPC-ZDUSSCGKSA-N 0 0 367.380 2.877 20 10 FFCDRN Fc1cc(CNc2cc(NC3CC3)ncn2)cc(F)c1N1CCOCC1 ZINC000840325471 971078161 /nfs/dbraw/zinc/07/81/61/971078161.db2.gz FIVHLUIWPTWQJW-UHFFFAOYSA-N 0 0 361.396 2.778 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCC[C@H]2c2ncccn2)c([N+](=O)[O-])c1 ZINC000895942322 971100710 /nfs/dbraw/zinc/10/07/10/971100710.db2.gz GYZBKUBPNFAZCE-LYASGUKUSA-N 0 0 354.366 2.913 20 10 FFCDRN CC1(C)CN(CC(F)(F)F)CCN1Cc1ccc(N2CCOCC2)cc1 ZINC000184799283 971219424 /nfs/dbraw/zinc/21/94/24/971219424.db2.gz XDTKFIPICDAGNG-UHFFFAOYSA-N 0 0 371.447 2.982 20 10 FFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N[C@H](CO)CC1CC1 ZINC000888587559 1013070431 /nfs/dbraw/zinc/07/04/31/1013070431.db2.gz JXIWLSAQBHNXGZ-AWEZNQCLSA-N 0 0 351.410 2.679 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCn3nc(C4CC4)cc3C2)c([N+](=O)[O-])c1 ZINC000896222330 971346459 /nfs/dbraw/zinc/34/64/59/971346459.db2.gz HGFVSVZCKONELQ-XVNBXDOJSA-N 0 0 368.393 2.875 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000840479010 971355570 /nfs/dbraw/zinc/35/55/70/971355570.db2.gz LGFYDOUAUJMXFO-KFKAGJAMSA-N 0 0 374.529 2.725 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCCC2(C1)OCCO2 ZINC000840479041 971357135 /nfs/dbraw/zinc/35/71/35/971357135.db2.gz FFHHMPDDEOZYPY-MRXNPFEDSA-N 0 0 361.486 2.541 20 10 FFCDRN Cc1cc(C(=O)N2CCC=C(F)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257871 947744720 /nfs/dbraw/zinc/74/47/20/947744720.db2.gz RDMBLHYUFJPFSI-UHFFFAOYSA-N 0 0 366.400 2.974 20 10 FFCDRN CC[C@@H]1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@H]1O ZINC000888590041 1013104224 /nfs/dbraw/zinc/10/42/24/1013104224.db2.gz QZUKSHIOZQOYJV-UKRRQHHQSA-N 0 0 351.410 2.631 20 10 FFCDRN CC[C@H]1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@H]1O ZINC000888590039 1013105008 /nfs/dbraw/zinc/10/50/08/1013105008.db2.gz QZUKSHIOZQOYJV-DZGCQCFKSA-N 0 0 351.410 2.631 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2Cc3ccccc3OC2=O)cc1F ZINC000843538970 959216313 /nfs/dbraw/zinc/21/63/13/959216313.db2.gz OXWGOZYQXKJMRS-UHFFFAOYSA-N 0 0 357.385 2.523 20 10 FFCDRN C[C@@H]1C[C@@H](c2ccccc2)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000286335780 959270125 /nfs/dbraw/zinc/27/01/25/959270125.db2.gz LRYAGGHICUSBQW-DYVFJYSZSA-N 0 0 374.462 2.987 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000049683536 959562675 /nfs/dbraw/zinc/56/26/75/959562675.db2.gz UTXMIVIIGPGBQV-UHFFFAOYSA-N 0 0 364.405 2.708 20 10 FFCDRN CC(C)OCC(=O)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001143375626 959639256 /nfs/dbraw/zinc/63/92/56/959639256.db2.gz ZTSRIGHDOFPVGU-UHFFFAOYSA-N 0 0 369.465 2.734 20 10 FFCDRN O=C([O-])C1(C[NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCOCC1 ZINC001574638672 1078043561 /nfs/dbraw/zinc/04/35/61/1078043561.db2.gz OGJLGQJZTIXZBI-UHFFFAOYSA-N 0 0 371.433 2.942 20 10 FFCDRN O=C1N(CC(F)F)CCC12CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001275956243 1013225872 /nfs/dbraw/zinc/22/58/72/1013225872.db2.gz DUTVYSSEKIYMGI-UHFFFAOYSA-N 0 0 360.351 2.750 20 10 FFCDRN O=C(NCC(F)F)[C@H]1CC12CC[NH+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001275957720 1013229806 /nfs/dbraw/zinc/22/98/06/1013229806.db2.gz VHEGKRGIMWGOQX-LLVKDONJSA-N 0 0 360.351 2.654 20 10 FFCDRN O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001276031650 1013297574 /nfs/dbraw/zinc/29/75/74/1013297574.db2.gz MIZFGLDDEAYIQW-MRXNPFEDSA-N 0 0 360.351 2.908 20 10 FFCDRN CC[C@H](C)CN(CC)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000891087556 961923240 /nfs/dbraw/zinc/92/32/40/961923240.db2.gz SEYYLVBMOXONIK-INIZCTEOSA-N 0 0 374.529 2.966 20 10 FFCDRN CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1F ZINC001276031329 1013298074 /nfs/dbraw/zinc/29/80/74/1013298074.db2.gz ITUSONWWBAJQAK-LJQANCHMSA-N 0 0 350.434 2.525 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000010262706 1013319093 /nfs/dbraw/zinc/31/90/93/1013319093.db2.gz YDBOXPGWXOIZNU-UHFFFAOYSA-N 0 0 362.474 2.515 20 10 FFCDRN COc1ccc2ccc(C(=O)NCCc3cc(O)c(O)cc3O)cc2c1 ZINC001174854652 1013325816 /nfs/dbraw/zinc/32/58/16/1013325816.db2.gz QIBBKEXKDJZARJ-UHFFFAOYSA-N 0 0 353.374 2.938 20 10 FFCDRN COc1ccc(Cn2cc(CNCc3ccc(N(C)C)c(F)c3)nn2)cc1 ZINC000873029562 1013356278 /nfs/dbraw/zinc/35/62/78/1013356278.db2.gz KPNWGXMXQDUQFN-UHFFFAOYSA-N 0 0 369.444 2.830 20 10 FFCDRN O=C(Cc1ccc(NC(=O)C(F)(F)F)cc1)N1Cc2cccc(O)c2C1 ZINC001175037712 1013375346 /nfs/dbraw/zinc/37/53/46/1013375346.db2.gz 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FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1F ZINC000894597117 965510840 /nfs/dbraw/zinc/51/08/40/965510840.db2.gz VLVLNVGOOQAVON-UHFFFAOYSA-N 0 0 369.440 2.766 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](O)Cc1ccccc1 ZINC000121269875 965766823 /nfs/dbraw/zinc/76/68/23/965766823.db2.gz JVLUICSXKFMPAY-IERDGZPVSA-N 0 0 367.493 2.860 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](O)Cc1ccccc1 ZINC000121269745 965767068 /nfs/dbraw/zinc/76/70/68/965767068.db2.gz JVLUICSXKFMPAY-KKSFZXQISA-N 0 0 367.493 2.860 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000892000250 965782647 /nfs/dbraw/zinc/78/26/47/965782647.db2.gz NXQSAUVBMBILBD-VQTJNVASSA-N 0 0 373.497 2.766 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCOC[C@@H]1C[C@H]1CCOC1 ZINC000892000449 965783163 /nfs/dbraw/zinc/78/31/63/965783163.db2.gz QJFIIQBKZIBIFG-QUCCMNQESA-N 0 0 373.497 2.624 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000892115689 966002384 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Cc1cc2n[nH]cc2cc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001211572649 967381681 /nfs/dbraw/zinc/38/16/81/967381681.db2.gz OOAVRLXMLVJICT-ZDUSSCGKSA-N 0 0 358.467 2.977 20 10 FFCDRN COc1cc(N(C)Cc2cc(=O)n3cccc(C)c3n2)cc(OC)c1OC ZINC000125790564 967395718 /nfs/dbraw/zinc/39/57/18/967395718.db2.gz LAUNJFHWWFVXLQ-UHFFFAOYSA-N 0 0 369.421 2.665 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccn(C)c2=O)cc1 ZINC000729518123 967527956 /nfs/dbraw/zinc/52/79/56/967527956.db2.gz DYAPZNWQQMBFPR-UHFFFAOYSA-N 0 0 365.433 2.887 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CNc3ccc(F)c(C)c3)CC2)cc1 ZINC000728568645 967553901 /nfs/dbraw/zinc/55/39/01/967553901.db2.gz HUGAQCNWVLOLFH-UHFFFAOYSA-N 0 0 357.429 2.903 20 10 FFCDRN O=C(COc1ccc(Oc2ccccn2)cc1)NCc1cccc(O)c1O ZINC001176564872 1013733385 /nfs/dbraw/zinc/73/33/85/1013733385.db2.gz GIYGQWSSMUHBNG-UHFFFAOYSA-N 0 0 366.373 2.980 20 10 FFCDRN CCOC(=O)c1cc(Cl)cc(NCCc2cc(O)c(O)cc2O)n1 ZINC001168010444 967813621 /nfs/dbraw/zinc/81/36/21/967813621.db2.gz 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Cc1cc(C(=O)NCc2noc(C(F)(F)F)n2)c(C)n1-c1ccccn1 ZINC000791284017 1002645650 /nfs/dbraw/zinc/64/56/50/1002645650.db2.gz MINLBDOUXDDFCT-UHFFFAOYSA-N 0 0 365.315 2.821 20 10 FFCDRN Cc1cc(C(=O)O[C@H](C)c2nnnn2C2CC2)c(C)n1-c1ccccn1 ZINC000791318833 1002650699 /nfs/dbraw/zinc/65/06/99/1002650699.db2.gz UYMSMJMWFLGBTJ-CYBMUJFWSA-N 0 0 352.398 2.729 20 10 FFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1[nH]c(=O)ccc1Cl ZINC001184815596 1002727264 /nfs/dbraw/zinc/72/72/64/1002727264.db2.gz FGWVBYWNFGBYJH-UHFFFAOYSA-N 0 0 364.188 2.704 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3CCC[C@](C)(O)CC3)CC2)cc1 ZINC000792066453 1002897064 /nfs/dbraw/zinc/89/70/64/1002897064.db2.gz LKPXHESHYNBJRN-FQEVSTJZSA-N 0 0 361.486 2.611 20 10 FFCDRN CCOc1ccc(CN[C@H](C(=O)OC)c2ccc(OC)c(O)c2)c(O)c1 ZINC000792180656 1002935092 /nfs/dbraw/zinc/93/50/92/1002935092.db2.gz NJECDZHJJOSCNM-SFHVURJKSA-N 0 0 361.394 2.509 20 10 FFCDRN Cc1cc(C(=O)CN(C)C2(CO)CCOCC2)c(C)n1-c1ccccc1 ZINC000792410300 1002997346 /nfs/dbraw/zinc/99/73/46/1002997346.db2.gz 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Cc1noc(C)c1[C@H](C)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000750259567 1021626852 /nfs/dbraw/zinc/62/68/52/1021626852.db2.gz WWCSMWOYXXIWAU-ZDUSSCGKSA-N 0 0 373.453 2.663 20 10 FFCDRN NC(=O)c1ccc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)nc1 ZINC001117476522 1021716562 /nfs/dbraw/zinc/71/65/62/1021716562.db2.gz QAGCJARTHPVKQT-CYBMUJFWSA-N 0 0 362.380 2.863 20 10 FFCDRN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)CC(F)(F)F ZINC001117999385 1022009092 /nfs/dbraw/zinc/00/90/92/1022009092.db2.gz SWHCBLDXZSONBJ-ZDUSSCGKSA-N 0 0 371.403 2.608 20 10 FFCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1F ZINC000041925301 1022122496 /nfs/dbraw/zinc/12/24/96/1022122496.db2.gz SWHKHGYOPVASHB-UHFFFAOYSA-N 0 0 371.412 2.689 20 10 FFCDRN Cc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c(O)c1O ZINC000750618771 1022250402 /nfs/dbraw/zinc/25/04/02/1022250402.db2.gz MHHGFXGMJYKFGF-NWDGAFQWSA-N 0 0 361.369 2.968 20 10 FFCDRN COc1cccc(CNC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)c1O ZINC000155498322 1022260198 /nfs/dbraw/zinc/26/01/98/1022260198.db2.gz CHRFILNCVQEIGE-KRWDZBQOSA-N 0 0 368.355 2.910 20 10 FFCDRN Cc1cc(C(=O)NCCN2CCO[C@H](C)C2)c(C)n1-c1ccc(F)cc1 ZINC000750746859 1022463884 /nfs/dbraw/zinc/46/38/84/1022463884.db2.gz NAGXFMYMVPXHAG-OAHLLOKOSA-N 0 0 359.445 2.684 20 10 FFCDRN Cc1nnc2n1C[C@H](C(=O)NCc1ccc(N3CCC(C)CC3)cc1)CC2 ZINC000750775962 1022516404 /nfs/dbraw/zinc/51/64/04/1022516404.db2.gz KOWVTAFOBWFKON-GOSISDBHSA-N 0 0 367.497 2.702 20 10 FFCDRN O=C(CCC(=O)c1ccc2c(c1)OCCCO2)NCc1ccc(O)c(O)c1 ZINC000778923725 1022532412 /nfs/dbraw/zinc/53/24/12/1022532412.db2.gz RHNKRSASTKXZLH-UHFFFAOYSA-N 0 0 371.389 2.538 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC(c2cccc(F)c2)CC1 ZINC001119075836 1022556117 /nfs/dbraw/zinc/55/61/17/1022556117.db2.gz FUDAMQBQLIZTEF-UHFFFAOYSA-N 0 0 370.424 2.896 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-c2ccccc2)nn1 ZINC000158967194 1022599278 /nfs/dbraw/zinc/59/92/78/1022599278.db2.gz PNGVZKKVGNLIDS-UHFFFAOYSA-N 0 0 350.378 2.919 20 10 FFCDRN COc1cccc(CNC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000779001602 1022633400 /nfs/dbraw/zinc/63/34/00/1022633400.db2.gz TUNCTVXYUCRRBV-ZDUSSCGKSA-N 0 0 364.442 2.664 20 10 FFCDRN Cc1occc1C(=O)NCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000048278432 1022682837 /nfs/dbraw/zinc/68/28/37/1022682837.db2.gz HHSMRMQEOYPNLY-UHFFFAOYSA-N 0 0 369.465 2.967 20 10 FFCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC001119399938 1022740272 /nfs/dbraw/zinc/74/02/72/1022740272.db2.gz WGCYCOLMTUQDHF-DJJJIMSYSA-N 0 0 350.378 2.634 20 10 FFCDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC001119481433 1022799814 /nfs/dbraw/zinc/79/98/14/1022799814.db2.gz JVFRQJFZTKNSOF-GDBMZVCRSA-N 0 0 356.422 2.819 20 10 FFCDRN Cc1ccc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC001119705410 1022946462 /nfs/dbraw/zinc/94/64/62/1022946462.db2.gz XMAWDNVHVFVARB-CQSZACIVSA-N 0 0 357.429 2.694 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@]12CCO[C@H]1CCCC2 ZINC001119762681 1022983694 /nfs/dbraw/zinc/98/36/94/1022983694.db2.gz JKLQGXFHQUYDIK-ICSRJNTNSA-N 0 0 362.445 2.628 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cn(Cc2ccccc2)nn1 ZINC000075159824 1023023124 /nfs/dbraw/zinc/02/31/24/1023023124.db2.gz LRMCAPJDIBMVGL-UHFFFAOYSA-N 0 0 362.433 2.841 20 10 FFCDRN CCOC(=O)N1CCC[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000075159429 1023023221 /nfs/dbraw/zinc/02/32/21/1023023221.db2.gz JIPCTXNXFSSGEZ-OAHLLOKOSA-N 0 0 360.454 2.756 20 10 FFCDRN CC[C@@H]([NH2+]Cc1cc(-c2ccccc2)ccc1O)C(=O)N1CCOCC1 ZINC000752265653 1023102491 /nfs/dbraw/zinc/10/24/91/1023102491.db2.gz KYFIBVUHUGARBA-LJQANCHMSA-N 0 0 354.450 2.786 20 10 FFCDRN Cc1noc(C2CC2)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000752424841 1023139907 /nfs/dbraw/zinc/13/99/07/1023139907.db2.gz GCWGLYNBLOVWQL-UHFFFAOYSA-N 0 0 369.465 2.999 20 10 FFCDRN COc1cccc(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C2CC2)c1O ZINC000752596022 1023169771 /nfs/dbraw/zinc/16/97/71/1023169771.db2.gz LNMRIOHWWBTJQS-CQSZACIVSA-N 0 0 364.442 2.710 20 10 FFCDRN COC(=O)c1ccc(C(=O)OC)c(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000752610069 1023174993 /nfs/dbraw/zinc/17/49/93/1023174993.db2.gz HXDXELGUKRBYSS-UHFFFAOYSA-N 0 0 372.377 2.629 20 10 FFCDRN Cc1cc(C(=O)N2CCc3c(=O)[nH]cnc3C2)c(C)n1-c1ccc(F)cc1 ZINC000752778724 1023204192 /nfs/dbraw/zinc/20/41/92/1023204192.db2.gz ZLGLDASUGJBDHM-UHFFFAOYSA-N 0 0 366.396 2.927 20 10 FFCDRN O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000752993871 1023245530 /nfs/dbraw/zinc/24/55/30/1023245530.db2.gz CQYADQXBYRCAAG-CQSZACIVSA-N 0 0 362.426 2.761 20 10 FFCDRN C[C@H](NC(=O)N[C@]1(C)CCO[C@@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000753125715 1023275383 /nfs/dbraw/zinc/27/53/83/1023275383.db2.gz FDCOBZCQAYCXDO-NYSBEXSLSA-N 0 0 373.497 2.841 20 10 FFCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)cc1)c1ccc(OC)cc1OC ZINC000779180368 1023302853 /nfs/dbraw/zinc/30/28/53/1023302853.db2.gz KRIJQCATRCQOCF-IBGZPJMESA-N 0 0 358.438 2.774 20 10 FFCDRN COc1ccc(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC ZINC000753643296 1023363730 /nfs/dbraw/zinc/36/37/30/1023363730.db2.gz HRCGPNZYZWZPSK-ZDUSSCGKSA-N 0 0 359.422 2.795 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cn(C)nc3C(C)C)CC2)cc1F ZINC000753737306 1023373465 /nfs/dbraw/zinc/37/34/65/1023373465.db2.gz FHUSEHMYGMRUGW-UHFFFAOYSA-N 0 0 360.433 2.654 20 10 FFCDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc(N)cc1 ZINC001120592309 1023375832 /nfs/dbraw/zinc/37/58/32/1023375832.db2.gz VIFMRDWKEOPGML-ZDUSSCGKSA-N 0 0 354.458 2.804 20 10 FFCDRN CCCCCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N)cc2)C1 ZINC001120681098 1023420754 /nfs/dbraw/zinc/42/07/54/1023420754.db2.gz FQQDCHMWNIGTCD-QGZVFWFLSA-N 0 0 360.502 2.887 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)OC[C@H]3CCC(=O)N(C)C3)ccc21 ZINC001122971918 1023578821 /nfs/dbraw/zinc/57/88/21/1023578821.db2.gz OBULLSQKYATNTE-INIZCTEOSA-N 0 0 372.465 2.930 20 10 FFCDRN COC(=O)[C@@]1(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CCOC1 ZINC000755737004 1023631874 /nfs/dbraw/zinc/63/18/74/1023631874.db2.gz MLKDNVGEOSDRSB-OAQYLSRUSA-N 0 0 370.449 2.773 20 10 FFCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000755984429 1023656174 /nfs/dbraw/zinc/65/61/74/1023656174.db2.gz JMINJFHMUCDFBZ-UHFFFAOYSA-N 0 0 374.418 2.508 20 10 FFCDRN CCN(CC)c1ccc(C[NH2+][C@@H](Cn2nc(C)cc2C)C(=O)[O-])cc1F ZINC000756391901 1023703584 /nfs/dbraw/zinc/70/35/84/1023703584.db2.gz ZREVEUBDQSRCPC-KRWDZBQOSA-N 0 0 362.449 2.728 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3)nc2)c1 ZINC000756392174 1023703606 /nfs/dbraw/zinc/70/36/06/1023703606.db2.gz MJIIKYXYBPOEEQ-CYBMUJFWSA-N 0 0 352.394 2.610 20 10 FFCDRN COc1cccc(CN(C)C(=O)CN(C)c2ccc3c(c2)OCO3)c1OC ZINC000756643441 1023739530 /nfs/dbraw/zinc/73/95/30/1023739530.db2.gz CNXSZKVDWSAOSZ-UHFFFAOYSA-N 0 0 372.421 2.527 20 10 FFCDRN COC(=O)c1ccc(C)c(NC(=O)CN(C)c2ccc3c(c2)OCO3)c1 ZINC000756654259 1023740523 /nfs/dbraw/zinc/74/05/23/1023740523.db2.gz PKYQXDLTRXAMDE-UHFFFAOYSA-N 0 0 356.378 2.585 20 10 FFCDRN C[C@H]([NH2+]CCCNC(=O)c1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756709566 1023747606 /nfs/dbraw/zinc/74/76/06/1023747606.db2.gz WDBJFVNYSGLFMP-LBPRGKRZSA-N 0 0 361.373 2.910 20 10 FFCDRN C[C@H]([NH2+]CCNC(=O)c1c(F)cccc1F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756709459 1023748005 /nfs/dbraw/zinc/74/80/05/1023748005.db2.gz ZQIVQIKFSQBZAZ-JTQLQIEISA-N 0 0 365.336 2.659 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)NCc2cn(-c3ccccc3)nn2)c1 ZINC000756742821 1023751732 /nfs/dbraw/zinc/75/17/32/1023751732.db2.gz PJOMIUYNLVOXGO-ZDUSSCGKSA-N 0 0 352.394 2.610 20 10 FFCDRN CC/C=C/[C@H](O)c1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1C ZINC001121403844 1023754503 /nfs/dbraw/zinc/75/45/03/1023754503.db2.gz OGTMSMFUKLYETK-FZMUQLTDSA-N 0 0 371.485 2.540 20 10 FFCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000756929305 1023771296 /nfs/dbraw/zinc/77/12/96/1023771296.db2.gz MJZOVQKMUASFHP-YLJYHZDGSA-N 0 0 374.529 2.695 20 10 FFCDRN CC(C)NC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000757046451 1023786173 /nfs/dbraw/zinc/78/61/73/1023786173.db2.gz GTQUKEFOFSDELV-UHFFFAOYSA-N 0 0 372.377 2.667 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC000757619597 1023838963 /nfs/dbraw/zinc/83/89/63/1023838963.db2.gz RBJNPXNJNDXKAU-SWLSCSKDSA-N 0 0 354.406 2.955 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CN(C)Cc3ccccc32)c1 ZINC000757730946 1023853007 /nfs/dbraw/zinc/85/30/07/1023853007.db2.gz FMKDBFPYGXKCDR-UGSOOPFHSA-N 0 0 355.438 2.948 20 10 FFCDRN CCOC[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000191771855 1023913470 /nfs/dbraw/zinc/91/34/70/1023913470.db2.gz WPHOLCROKDPCED-IBGZPJMESA-N 0 0 363.502 2.978 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCC(=O)N1CCC[C@@H](C)C1 ZINC001123641880 1023916247 /nfs/dbraw/zinc/91/62/47/1023916247.db2.gz JHPVNYOHUWEISK-OAHLLOKOSA-N 0 0 360.502 2.509 20 10 FFCDRN COc1cccc(CNC(=O)CC[C@@H]2[C@H](C)Nc3ccnn3[C@H]2C)c1O ZINC001123669520 1023930602 /nfs/dbraw/zinc/93/06/02/1023930602.db2.gz PYAZGHAIVUPIDU-KCQAQPDRSA-N 0 0 358.442 2.685 20 10 FFCDRN O=C1NC2(C[C@H]1c1cccnc1)CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137835266 1033173015 /nfs/dbraw/zinc/17/30/15/1033173015.db2.gz AVAOEDYORRUSPG-HNNXBMFYSA-N 0 0 355.413 2.565 20 10 FFCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(N2CCOC2=O)c1 ZINC000779480746 1023935193 /nfs/dbraw/zinc/93/51/93/1023935193.db2.gz CHHQOSUOMRLHEF-CFNZNRNTSA-N 0 0 368.389 2.945 20 10 FFCDRN COc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(C(=O)NC2CC2)c1 ZINC000779482910 1023936440 /nfs/dbraw/zinc/93/64/40/1023936440.db2.gz IFFUVUUWAMZSFC-OQFOIZHKSA-N 0 0 368.389 2.651 20 10 FFCDRN Cn1ccnc1[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000779492360 1023937114 /nfs/dbraw/zinc/93/71/14/1023937114.db2.gz DAEGOLOEHHBJRF-JFKHNGDKSA-N 0 0 367.380 2.889 20 10 FFCDRN CC[C@H]1[N@H+](Cc2c([O-])cccc2F)CCC[C@]12CCC(=O)N2CCOC ZINC001137835285 1033174072 /nfs/dbraw/zinc/17/40/72/1033174072.db2.gz BGHUZXIEYPFWAJ-QUCCMNQESA-N 0 0 364.461 2.913 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000779519379 1023950632 /nfs/dbraw/zinc/95/06/32/1023950632.db2.gz CMNOMRYUGHSRQS-RCQQVGEISA-N 0 0 362.426 2.627 20 10 FFCDRN COc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1N1CCOC1=O ZINC000779524658 1023954839 /nfs/dbraw/zinc/95/48/39/1023954839.db2.gz FRIJFRTXZJBGFO-CLTKARDFSA-N 0 0 370.361 2.715 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C(C)(C)C(F)(F)F)cc2)CC1 ZINC001123730847 1023973958 /nfs/dbraw/zinc/97/39/58/1023973958.db2.gz BJGYVQGFFQSPMQ-UHFFFAOYSA-N 0 0 371.403 2.560 20 10 FFCDRN COc1ccc(N2CCN(C[C@H](O)COc3cccc(C)c3F)CC2)cc1 ZINC000758232245 1023983663 /nfs/dbraw/zinc/98/36/63/1023983663.db2.gz QHDHHMCPFWNFRN-SFHVURJKSA-N 0 0 374.456 2.705 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)CCC(=O)OC(C)(C)C)CC2)cc1 ZINC000192287422 1024060655 /nfs/dbraw/zinc/06/06/55/1024060655.db2.gz PYNQKFIUGXSPDW-UHFFFAOYSA-N 0 0 362.470 2.856 20 10 FFCDRN CCn1c(CC(F)F)nnc1N(C)CCN(C)c1ccc(OC)cc1 ZINC001121852952 1024105923 /nfs/dbraw/zinc/10/59/23/1024105923.db2.gz VGWDFXWNXAPWAU-UHFFFAOYSA-N 0 0 353.417 2.687 20 10 FFCDRN CN(CCCNC(=O)C1CCC1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000758547782 1024169150 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C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccn1 ZINC000079855247 1024389383 /nfs/dbraw/zinc/38/93/83/1024389383.db2.gz COQWZKNZRRXELX-CQSZACIVSA-N 0 0 372.444 2.742 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCC(=O)N2CCCCC2)cc1 ZINC000079981361 1024447830 /nfs/dbraw/zinc/44/78/30/1024447830.db2.gz ZPWCSHOOURWHCY-UHFFFAOYSA-N 0 0 360.502 2.735 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000759111448 1024473198 /nfs/dbraw/zinc/47/31/98/1024473198.db2.gz PAMQMDCYOHWFPZ-HXUWFJFHSA-N 0 0 353.466 2.641 20 10 FFCDRN CC(=O)N(c1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)cs1)C1CC1 ZINC000759577524 1024672133 /nfs/dbraw/zinc/67/21/33/1024672133.db2.gz AOMUSPWALIOFNY-XVNBXDOJSA-N 0 0 374.418 2.826 20 10 FFCDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N1CCc2ccccc2C1 ZINC000759587805 1024674990 /nfs/dbraw/zinc/67/49/90/1024674990.db2.gz FEHHNDBNXRWXQO-KGXGESDWSA-N 0 0 367.401 2.628 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCc1noc(Cc2ccccc2)n1 ZINC000759595417 1024678515 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CCOc1cccc(CN2CCO[C@@H](c3ccccc3)[C@@H]2C(=O)OC)c1O ZINC001203617658 1030788168 /nfs/dbraw/zinc/78/81/68/1030788168.db2.gz SSXIDXPSEISYDI-QUCCMNQESA-N 0 0 371.433 2.906 20 10 FFCDRN COC[C@@H]1Cn2nccc2CN(Cc2cc(Br)ccc2O)C1 ZINC001203642242 1030802169 /nfs/dbraw/zinc/80/21/69/1030802169.db2.gz GEKOESAVPPXPBC-LBPRGKRZSA-N 0 0 366.259 2.630 20 10 FFCDRN CCc1nn(CN(C)Cc2ccc(N3CCCCC3)cc2)c(=O)n1CC ZINC000842591612 1030803528 /nfs/dbraw/zinc/80/35/28/1030803528.db2.gz ATPCRIMTFZJEGL-UHFFFAOYSA-N 0 0 357.502 2.707 20 10 FFCDRN COCCCC[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC001203648801 1030805519 /nfs/dbraw/zinc/80/55/19/1030805519.db2.gz VEVKCPMTBGZCQK-UHFFFAOYSA-N 0 0 357.292 2.699 20 10 FFCDRN CC(C)C(=O)N1CCC[C@]2(CN(Cc3cc(Cl)ccc3O)CCO2)C1 ZINC001203659549 1030814734 /nfs/dbraw/zinc/81/47/34/1030814734.db2.gz WVCOKVHTKHMAQF-IBGZPJMESA-N 0 0 366.889 2.895 20 10 FFCDRN COc1ccc(O)c(CN2CCc3onc(COc4ccccn4)c3C2)c1 ZINC001203675225 1030820778 /nfs/dbraw/zinc/82/07/78/1030820778.db2.gz 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CCn1cc(Cn2c(C3CC3)nnc2N(C)Cc2ccccc2O)cn1 ZINC001502229003 1058784106 /nfs/dbraw/zinc/78/41/06/1058784106.db2.gz YZHUZZNSOFUTBZ-UHFFFAOYSA-N 0 0 352.442 2.762 20 10 FFCDRN O=C(NCCCNc1ncnc2ccc([N+](=O)[O-])cc21)C1=CC(=O)CS1 ZINC001448721783 1058808382 /nfs/dbraw/zinc/80/83/82/1058808382.db2.gz JDMYQCPMLSMMQA-UHFFFAOYSA-N 0 0 373.394 2.537 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H](O)[C@@H](C)c1ccccc1F ZINC001449117389 1058865917 /nfs/dbraw/zinc/86/59/17/1058865917.db2.gz HLARSUBTUKCNPB-SJCJKPOMSA-N 0 0 352.402 2.798 20 10 FFCDRN O=C(CN(Cc1cccnc1)c1ccccc1)NCc1ccc(O)cc1O ZINC001451774023 1059144472 /nfs/dbraw/zinc/14/44/72/1059144472.db2.gz ZZDHSOLAUCLCBT-UHFFFAOYSA-N 0 0 363.417 2.816 20 10 FFCDRN C[C@]1(C(=O)NCc2ccc3cccnc3c2O)COc2ccccc2O1 ZINC001451951395 1059169291 /nfs/dbraw/zinc/16/92/91/1059169291.db2.gz CYWGDZIJJGELAA-HXUWFJFHSA-N 0 0 350.374 2.787 20 10 FFCDRN CC(C)C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001514988988 1059193707 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COc1ccc(N2CCN(C(=O)N[C@H](C)Cc3ccccn3)CC2)cc1F ZINC000848669506 1060426493 /nfs/dbraw/zinc/42/64/93/1060426493.db2.gz ANALJYUUIXUHDQ-OAHLLOKOSA-N 0 0 372.444 2.692 20 10 FFCDRN CO[C@@H](c1nnc(N(C)Cc2ccccc2O)n1C)c1ccccc1O ZINC001355742492 1060553643 /nfs/dbraw/zinc/55/36/43/1060553643.db2.gz ALCRSQLIDBGIBE-QGZVFWFLSA-N 0 0 354.410 2.599 20 10 FFCDRN Cn1ncc(CCCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1 ZINC001458402283 1060582852 /nfs/dbraw/zinc/58/28/52/1060582852.db2.gz OXORTWUAFXDAKA-UHFFFAOYSA-N 0 0 365.393 2.999 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)Nc2ccc(CO)cc2)[NH+](C)C)cc1 ZINC001517792464 1060633340 /nfs/dbraw/zinc/63/33/40/1060633340.db2.gz OAHOMQVPQRGZBE-IBGZPJMESA-N 0 0 356.470 2.669 20 10 FFCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H](COC)OC ZINC001512811064 1060678598 /nfs/dbraw/zinc/67/85/98/1060678598.db2.gz XMOHYTIBQAIJQS-ZBFHGGJFSA-N 0 0 362.474 2.795 20 10 FFCDRN CCOC(=O)CN(CC(=O)OCc1ccccc1)Cc1ccccc1O ZINC001460281449 1060942280 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Cc1cc(CC(=O)Nc2ccn(C)c(=O)n2)c(C)n1-c1ccc(Cl)cc1 ZINC001461270320 1061273734 /nfs/dbraw/zinc/27/37/34/1061273734.db2.gz VZHKZWYCWGYFRM-UHFFFAOYSA-N 0 0 370.840 2.857 20 10 FFCDRN Cc1nc2cc(C(=O)NCc3ccc(N(C)C)c(F)c3)ccc2c(=O)[nH]1 ZINC001527013733 1061359356 /nfs/dbraw/zinc/35/93/56/1061359356.db2.gz LRFSWGKQKTXWCH-UHFFFAOYSA-N 0 0 354.385 2.779 20 10 FFCDRN COC(=O)[C@H]1CN(C(=O)/C=C\c2cncc(C)c2)c2ccc(F)cc2O1 ZINC001527135100 1061401967 /nfs/dbraw/zinc/40/19/67/1061401967.db2.gz HNCCQJCVMWRUQR-GPCFVJJQSA-N 0 0 356.353 2.510 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CCC4(CCC4)O3)CC2)c(OC)c1 ZINC001461981932 1061468001 /nfs/dbraw/zinc/46/80/01/1061468001.db2.gz XGVOFHGDGKPZTI-KRWDZBQOSA-N 0 0 374.481 2.844 20 10 FFCDRN COC(=O)Cc1ccc(NC(=O)NCc2c(O)cccc2F)cc1F ZINC001476764324 1061475129 /nfs/dbraw/zinc/47/51/29/1061475129.db2.gz NEMWKRGNUQTBNC-UHFFFAOYSA-N 0 0 350.321 2.708 20 10 FFCDRN NC(=O)[C@H](C[NH2+]Cc1cc(F)c(F)cc1[O-])Cc1ccccc1Cl ZINC001462074139 1061497329 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COc1ccc(CNC(=O)c2cc(F)c(Br)cc2N)c(O)c1 ZINC001467471435 1063756158 /nfs/dbraw/zinc/75/61/58/1063756158.db2.gz ZJIHFLWOWIUWAZ-UHFFFAOYSA-N 0 0 369.190 2.815 20 10 FFCDRN CC(C)(C[C@@H]1CCCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1)C(N)=O ZINC001468199150 1063942879 /nfs/dbraw/zinc/94/28/79/1063942879.db2.gz LMJZBNHILSYZDX-LBPRGKRZSA-N 0 0 359.430 2.603 20 10 FFCDRN CCn1c2ccccc2nc1SCC(=O)NCc1ccc(O)cc1O ZINC001469152488 1064099849 /nfs/dbraw/zinc/09/98/49/1064099849.db2.gz KGXIYBQVVYCFMZ-UHFFFAOYSA-N 0 0 357.435 2.876 20 10 FFCDRN Cc1cc(Br)cc(C(=O)NCc2ccc(O)cc2O)c1N ZINC001469164073 1064102786 /nfs/dbraw/zinc/10/27/86/1064102786.db2.gz VVQDGZWRJYYHAU-UHFFFAOYSA-N 0 0 351.200 2.681 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCCCN(C)OC)CCCC1 ZINC001469508421 1064158629 /nfs/dbraw/zinc/15/86/29/1064158629.db2.gz WAGJUGHQDFMKOB-UHFFFAOYSA-N 0 0 359.470 2.528 20 10 FFCDRN Cc1cc(C(=O)N2CC(N3CCOCC3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001469683855 1064190874 /nfs/dbraw/zinc/19/08/74/1064190874.db2.gz 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CCCc1[nH]ccc1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001557822708 1075895675 /nfs/dbraw/zinc/89/56/75/1075895675.db2.gz IIQQPLPYWWBDGS-UHFFFAOYSA-N 0 0 357.454 2.947 20 10 FFCDRN COc1ccc(-c2cc(C(=O)N3Cc4cccc(O)c4C3)[nH]n2)c(OC)c1 ZINC001558036002 1075933026 /nfs/dbraw/zinc/93/30/26/1075933026.db2.gz OKGJUMMQOXVFSR-UHFFFAOYSA-N 0 0 365.389 2.956 20 10 FFCDRN Cc1cc(C(=O)NCC2(OCCO)CCCCC2)c(C)n1-c1ccccn1 ZINC001558674905 1076052178 /nfs/dbraw/zinc/05/21/78/1076052178.db2.gz JSTAMCAPMJZBQV-UHFFFAOYSA-N 0 0 371.481 2.931 20 10 FFCDRN COc1cc(N(C)C[C@@H]2CCC[C@]3(CCOC3)O2)cc(OC)c1OC ZINC001559542506 1076171611 /nfs/dbraw/zinc/17/16/11/1076171611.db2.gz XGJDGFOWAMHHCL-HNAYVOBHSA-N 0 0 351.443 2.877 20 10 FFCDRN Cn1nccc1[C@@H](NCc1ccc(Cl)cc1O)C(=O)OC(C)(C)C ZINC001560914368 1076309469 /nfs/dbraw/zinc/30/94/69/1076309469.db2.gz IQJIADZUYGSLQU-OAHLLOKOSA-N 0 0 351.834 2.952 20 10 FFCDRN Cc1ccc(O)c(CNS(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1 ZINC001561765465 1076419393 /nfs/dbraw/zinc/41/93/93/1076419393.db2.gz GNTVWEAFFWTHMW-UHFFFAOYSA-N 0 0 354.359 2.535 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)N3C[C@H](C)[C@H](C)[C@H]3C)CC2)cc1 ZINC001563811417 1076585011 /nfs/dbraw/zinc/58/50/11/1076585011.db2.gz XTWLIXJKKNTMDU-OKZBNKHCSA-N 0 0 374.529 2.503 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001564945646 1076672370 /nfs/dbraw/zinc/67/23/70/1076672370.db2.gz DOVLLTYHFYPBMV-DJPFJPOOSA-N 0 0 359.514 2.796 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@@H](F)C3)CC2)c(OC)c1 ZINC001564976428 1076674656 /nfs/dbraw/zinc/67/46/56/1076674656.db2.gz KDZAAVBMDRHJTK-CABCVRRESA-N 0 0 365.449 2.816 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C[C@@H]21 ZINC001566304803 1076943874 /nfs/dbraw/zinc/94/38/74/1076943874.db2.gz WGVAWEXWOYRKLB-XUWVNRHRSA-N 0 0 360.454 2.900 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncsc1Br ZINC001567464579 1077030313 /nfs/dbraw/zinc/03/03/13/1077030313.db2.gz BMTCZQFAJXLOJN-SSDOTTSWSA-N 0 0 357.229 2.678 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(-c2ccccc2C)nn1 ZINC001568737848 1077108867 /nfs/dbraw/zinc/10/88/67/1077108867.db2.gz PUOWAAWSEYLPCR-UHFFFAOYSA-N 0 0 357.410 2.697 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001570463030 1077207606 /nfs/dbraw/zinc/20/76/06/1077207606.db2.gz FAIGMXXMBQISIX-OAHLLOKOSA-N 0 0 364.760 2.700 20 10 FFCDRN C[C@]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001573630835 1077759639 /nfs/dbraw/zinc/75/96/39/1077759639.db2.gz LYKPQBFHEWWLIS-OAQYLSRUSA-N 0 0 354.450 2.737 20 10 FFCDRN CN(Cc1cnn(-c2ccccc2)n1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001586703316 1079671067 /nfs/dbraw/zinc/67/10/67/1079671067.db2.gz NQYWMTPGVZRHPH-UHFFFAOYSA-N 0 0 363.381 2.702 20 10 FFCDRN COc1ccccc1-c1nnc(CC(=O)N[C@@H](C)c2ccccc2O)o1 ZINC001587451164 1079794918 /nfs/dbraw/zinc/79/49/18/1079794918.db2.gz KGVPEXNIRPPIHE-LBPRGKRZSA-N 0 0 353.378 2.871 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC001587464003 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Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)nc1 ZINC000267554005 509539343 /nfs/dbraw/zinc/53/93/43/509539343.db2.gz DPXAPCBXTBNQJO-AWEZNQCLSA-N 0 0 369.421 2.601 20 10 FFCDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000176530250 509566230 /nfs/dbraw/zinc/56/62/30/509566230.db2.gz ZXVUUTFPSZBBML-BBRMVZONSA-N 0 0 374.462 2.782 20 10 FFCDRN CCS(=O)(=O)CCN(C)Cc1ccc(OCc2ccccc2)cc1O ZINC000183095940 509593619 /nfs/dbraw/zinc/59/36/19/509593619.db2.gz DSLCYBDCETUOFM-UHFFFAOYSA-N 0 0 363.479 2.838 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(OCC(F)F)ccn1 ZINC000183123453 509612050 /nfs/dbraw/zinc/61/20/50/509612050.db2.gz OLYFAJOCJKJHEM-UHFFFAOYSA-N 0 0 363.364 2.831 20 10 FFCDRN C[C@@H](CO[C@H]1CCOC1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000267892009 509659546 /nfs/dbraw/zinc/65/95/46/509659546.db2.gz SJVOFYXPPREJQF-KXBFYZLASA-N 0 0 361.486 2.621 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000183242545 509674843 /nfs/dbraw/zinc/67/48/43/509674843.db2.gz 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509930769 /nfs/dbraw/zinc/93/07/69/509930769.db2.gz FBKHDVWNKPXDLB-UHFFFAOYSA-N 0 0 352.843 2.994 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000180560378 509984020 /nfs/dbraw/zinc/98/40/20/509984020.db2.gz DGUSYHMOSKYJFK-DZGCQCFKSA-N 0 0 372.259 2.543 20 10 FFCDRN C/C=C(\C=C\C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1)CC ZINC000190236343 510019797 /nfs/dbraw/zinc/01/97/97/510019797.db2.gz DRIGAKWZFVETOF-DVPGYASISA-N 0 0 355.482 2.884 20 10 FFCDRN O=C(NCCCc1ccc(O)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000265440684 510055936 /nfs/dbraw/zinc/05/59/36/510055936.db2.gz KVACGRKVLXBBGR-UHFFFAOYSA-N 0 0 369.465 2.661 20 10 FFCDRN CCc1cnc(NC(=O)C(=O)NCc2ccc(N(CC)CC)cc2)s1 ZINC000190365812 510087797 /nfs/dbraw/zinc/08/77/97/510087797.db2.gz MMQWWGBRKIZOGP-UHFFFAOYSA-N 0 0 360.483 2.807 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccccc2CN2CCOCC2)cc1F ZINC000265749240 510209368 /nfs/dbraw/zinc/20/93/68/510209368.db2.gz IOJVMVIJWGROMZ-UHFFFAOYSA-N 0 0 371.456 2.654 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000190579322 510219872 /nfs/dbraw/zinc/21/98/72/510219872.db2.gz KVMZGCLFCZDGGL-UHFFFAOYSA-N 0 0 371.868 2.939 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C)c(F)c3)cc2)CC1 ZINC000190586422 510224562 /nfs/dbraw/zinc/22/45/62/510224562.db2.gz MJZJIEUQMODRPL-UHFFFAOYSA-N 0 0 369.440 2.733 20 10 FFCDRN COc1cccc(CNC(=O)C(C)(C)c2ccc3c(c2)OCCO3)c1O ZINC000269269301 510318291 /nfs/dbraw/zinc/31/82/91/510318291.db2.gz MTYIIVOWHYERLX-UHFFFAOYSA-N 0 0 357.406 2.766 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2ccc(OC)c(OC)c2)c(OC)c1 ZINC000269813124 510556486 /nfs/dbraw/zinc/55/64/86/510556486.db2.gz MULGDRQIWKGNHZ-UHFFFAOYSA-N 0 0 360.410 2.796 20 10 FFCDRN Fc1cc(CN[C@@H](c2ncc[nH]2)c2cccnc2)ccc1N1CCOCC1 ZINC000194990466 510622585 /nfs/dbraw/zinc/62/25/85/510622585.db2.gz FZMSBQRGTXYTPZ-LJQANCHMSA-N 0 0 367.428 2.660 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@](C)(O)C2CC2)cc1 ZINC000270097312 510674219 /nfs/dbraw/zinc/67/42/19/510674219.db2.gz PVBYRSWLNZWGNA-CTNGQTDRSA-N 0 0 360.498 2.811 20 10 FFCDRN CSC1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000195143932 510685794 /nfs/dbraw/zinc/68/57/94/510685794.db2.gz OBKNMTZBXHDCTN-HNNXBMFYSA-N 0 0 350.484 2.978 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)nc2)cc1 ZINC000172538218 510780677 /nfs/dbraw/zinc/78/06/77/510780677.db2.gz QEAQFSFQUCMQAQ-UHFFFAOYSA-N 0 0 360.845 2.836 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175778069 510785698 /nfs/dbraw/zinc/78/56/98/510785698.db2.gz FRBCNRRQFFBBIB-MRXNPFEDSA-N 0 0 360.479 2.628 20 10 FFCDRN COCC[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000263742544 510820177 /nfs/dbraw/zinc/82/01/77/510820177.db2.gz VXGAFAHZCMJHFW-RRFJBIMHSA-N 0 0 367.465 2.664 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC(OC[C@H]3CCOC3)CC2)cc1OC ZINC000360323515 510896844 /nfs/dbraw/zinc/89/68/44/510896844.db2.gz PJJYNDYDLLGZLM-ZDUSSCGKSA-N 0 0 366.414 2.634 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nc(C)n(C)n1 ZINC000297320855 510901980 /nfs/dbraw/zinc/90/19/80/510901980.db2.gz HDBBZVDAOUGCNF-UHFFFAOYSA-N 0 0 368.235 2.646 20 10 FFCDRN Cc1cccc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1O ZINC000293953296 510908322 /nfs/dbraw/zinc/90/83/22/510908322.db2.gz IVLAYEVDDUIHPM-UHFFFAOYSA-N 0 0 355.394 2.567 20 10 FFCDRN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000275709241 510911228 /nfs/dbraw/zinc/91/12/28/510911228.db2.gz YDLHRZSWSYYDAH-WFASDCNBSA-N 0 0 366.805 2.790 20 10 FFCDRN CCc1ncc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cn1 ZINC000275775386 510917991 /nfs/dbraw/zinc/91/79/91/510917991.db2.gz HPORHBZFYPSJCZ-UHFFFAOYSA-N 0 0 367.453 2.783 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCCCCC(=O)OC ZINC000275972061 510921968 /nfs/dbraw/zinc/92/19/68/510921968.db2.gz SNHPYWBRCIXMJW-UHFFFAOYSA-N 0 0 370.515 2.638 20 10 FFCDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276064605 510926578 /nfs/dbraw/zinc/92/65/78/510926578.db2.gz LBPWVXFGSLKWRD-CYBMUJFWSA-N 0 0 372.421 2.571 20 10 FFCDRN CC[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1[O-] ZINC000285513094 510937079 /nfs/dbraw/zinc/93/70/79/510937079.db2.gz DKEJWBBBNXXEBD-SFHVURJKSA-N 0 0 373.476 2.574 20 10 FFCDRN COCCOc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276430742 510938359 /nfs/dbraw/zinc/93/83/59/510938359.db2.gz HMQKQWHLBIVVLG-ZDUSSCGKSA-N 0 0 360.410 2.876 20 10 FFCDRN Cc1cc(C(=O)NCCc2nnc(N)o2)c(C)n1-c1cc(C)cc(C)c1 ZINC000276409206 510938434 /nfs/dbraw/zinc/93/84/34/510938434.db2.gz RMDPLVRWNBCYRI-UHFFFAOYSA-N 0 0 353.426 2.649 20 10 FFCDRN CCOC1(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCC1 ZINC000285524606 510942549 /nfs/dbraw/zinc/94/25/49/510942549.db2.gz PFVVJLRFAASTDM-UHFFFAOYSA-N 0 0 360.498 2.861 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)c(C)n1-c1ccccc1 ZINC000276756180 510946021 /nfs/dbraw/zinc/94/60/21/510946021.db2.gz NDIBAQHTZDQTJC-GOSISDBHSA-N 0 0 351.450 2.931 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000276833274 510947015 /nfs/dbraw/zinc/94/70/15/510947015.db2.gz BOXNCWTYQHXSNJ-UHFFFAOYSA-N 0 0 351.450 2.585 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[S@](=O)CC2)cc1 ZINC000297442766 510947364 /nfs/dbraw/zinc/94/73/64/510947364.db2.gz RTPFEGGZMXIUKT-IZHWHUGBSA-N 0 0 351.516 2.585 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000276871453 510948219 /nfs/dbraw/zinc/94/82/19/510948219.db2.gz LGRUIGRHCHDRHW-UHFFFAOYSA-N 0 0 369.464 2.549 20 10 FFCDRN C[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863355 510948391 /nfs/dbraw/zinc/94/83/91/510948391.db2.gz CXPAHJXESJQDLV-CLAHSXSESA-N 0 0 365.302 2.505 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000276929591 510949431 /nfs/dbraw/zinc/94/94/31/510949431.db2.gz UXKKWFYWHGJRJA-GFCCVEGCSA-N 0 0 371.393 2.807 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276907079 510949668 /nfs/dbraw/zinc/94/96/68/510949668.db2.gz OGTXLPTWSLGSIX-PXAZEXFGSA-N 0 0 373.384 2.891 20 10 FFCDRN COc1cccc(CNc2ccc(C)c(S(=O)(=O)NC3CC3)c2)c1O ZINC000285551711 510952414 /nfs/dbraw/zinc/95/24/14/510952414.db2.gz MHOICCYSEDPBSB-UHFFFAOYSA-N 0 0 362.451 2.762 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000277063831 510953214 /nfs/dbraw/zinc/95/32/14/510953214.db2.gz WKQYRYYIGQYPBG-AWEZNQCLSA-N 0 0 367.829 2.506 20 10 FFCDRN CCc1c(NC(=O)C(=O)N(C)Cc2ccccc2O)cnn1CCC(C)C ZINC000277260140 510958409 /nfs/dbraw/zinc/95/84/09/510958409.db2.gz QITQGYLOIBFETO-UHFFFAOYSA-N 0 0 372.469 2.794 20 10 FFCDRN C[C@H]1C[C@H](CNC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000277390107 510962098 /nfs/dbraw/zinc/96/20/98/510962098.db2.gz IZHOCZKMIYQNFY-WDEREUQCSA-N 0 0 357.248 2.769 20 10 FFCDRN O=C(NCC[C@H]1CCCCO1)NCc1cccc(Br)c1O ZINC000277458586 510962872 /nfs/dbraw/zinc/96/28/72/510962872.db2.gz NVFWSQOTBLUMKE-GFCCVEGCSA-N 0 0 357.248 2.913 20 10 FFCDRN CC1(C)[C@H](NC(=O)NCc2cccc(Br)c2O)[C@@H]2CCO[C@@H]21 ZINC000277481212 510963023 /nfs/dbraw/zinc/96/30/23/510963023.db2.gz PQRDWTOOBRTYEF-GDLCADMTSA-N 0 0 369.259 2.767 20 10 FFCDRN Cc1noc(C)c1CNC(=O)NCc1cccc(Br)c1O ZINC000277481314 510963342 /nfs/dbraw/zinc/96/33/42/510963342.db2.gz PSVMZDAGDAXTRG-UHFFFAOYSA-N 0 0 354.204 2.759 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCNc1ccccn1 ZINC000277448099 510963637 /nfs/dbraw/zinc/96/36/37/510963637.db2.gz SPUMCMPCIKBXHO-UHFFFAOYSA-N 0 0 374.828 2.707 20 10 FFCDRN COC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000277605816 510967897 /nfs/dbraw/zinc/96/78/97/510967897.db2.gz USUPNYDSPFHOSY-GHMZBOCLSA-N 0 0 370.243 2.750 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@](O)(c3nc(C)no3)C2)c(C)n1-c1ccccc1 ZINC000277936689 510976073 /nfs/dbraw/zinc/97/60/73/510976073.db2.gz HRHLKQOYFJQUHU-HXUWFJFHSA-N 0 0 366.421 2.519 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H](O)c2c(F)cccc2Cl)ccc1[N+](=O)[O-] ZINC000278106081 510981985 /nfs/dbraw/zinc/98/19/85/510981985.db2.gz AQUUBSCOVYEHJQ-CYBMUJFWSA-N 0 0 370.764 2.925 20 10 FFCDRN COc1c([O-])c(C[NH2+]CCOc2ccc(Cl)cn2)ccc1[N+](=O)[O-] ZINC000278309785 510987899 /nfs/dbraw/zinc/98/78/99/510987899.db2.gz DVWWDWZHAXUSPC-UHFFFAOYSA-N 0 0 353.762 2.526 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(CS(C)(=O)=O)o1 ZINC000282468356 510990056 /nfs/dbraw/zinc/99/00/56/510990056.db2.gz KOFURLUTMSFTRB-UHFFFAOYSA-N 0 0 365.451 2.972 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2nc(C3CCC3)cs2)cc1 ZINC000278746659 511006501 /nfs/dbraw/zinc/00/65/01/511006501.db2.gz APICHTOSNMXZNU-UHFFFAOYSA-N 0 0 358.467 2.732 20 10 FFCDRN CCCOc1ccc(CNc2ccc(C(=O)NCC(=O)OC)cc2)c(O)c1 ZINC000278779737 511007862 /nfs/dbraw/zinc/00/78/62/511007862.db2.gz VKUZMOUMHUEQGW-UHFFFAOYSA-N 0 0 372.421 2.696 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(C2CC2)no1 ZINC000282529732 511014674 /nfs/dbraw/zinc/01/46/74/511014674.db2.gz WCEWDSWBSQJATA-UHFFFAOYSA-N 0 0 355.438 2.691 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2ccc(N3CCCC3)nc2)ccc1[N+](=O)[O-] ZINC000278947494 511014605 /nfs/dbraw/zinc/01/46/05/511014605.db2.gz YVNKKVXLYMVEEZ-UHFFFAOYSA-N 0 0 358.398 2.594 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2ncc[nH]2)cc1 ZINC000279289456 511032452 /nfs/dbraw/zinc/03/24/52/511032452.db2.gz XWWZBOMAWYHOBQ-SFHVURJKSA-N 0 0 356.470 2.616 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cc4n(n3)CCCC4)CC2)cc1F ZINC000287264781 511045811 /nfs/dbraw/zinc/04/58/11/511045811.db2.gz HBVVJLDJKQYEJB-UHFFFAOYSA-N 0 0 373.432 2.721 20 10 FFCDRN CC(C)SCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000287482596 511050622 /nfs/dbraw/zinc/05/06/22/511050622.db2.gz UXWGHSWFGIEERG-UHFFFAOYSA-N 0 0 365.543 2.836 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@]2(CNC(=O)C2)C1 ZINC000279352974 511055294 /nfs/dbraw/zinc/05/52/94/511055294.db2.gz CAECXDNHZIXIEF-OAQYLSRUSA-N 0 0 351.450 2.755 20 10 FFCDRN CCOC(=O)c1csc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000294426430 511060336 /nfs/dbraw/zinc/06/03/36/511060336.db2.gz ACDHOJKSRSWJDT-UHFFFAOYSA-N 0 0 361.467 2.793 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)CCc1cccn1C ZINC000287933653 511060539 /nfs/dbraw/zinc/06/05/39/511060539.db2.gz 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511102118 /nfs/dbraw/zinc/10/21/18/511102118.db2.gz AUHCCPGBZRJUBP-UHFFFAOYSA-N 0 0 368.462 2.812 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289866906 511117914 /nfs/dbraw/zinc/11/79/14/511117914.db2.gz VQDVDPUFIZLHOD-MWLCHTKSSA-N 0 0 368.739 2.947 20 10 FFCDRN COCCOCCN(C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000290970730 511155126 /nfs/dbraw/zinc/15/51/26/511155126.db2.gz IRWSAPYWPDUVFS-UHFFFAOYSA-N 0 0 363.502 2.727 20 10 FFCDRN CC1=C(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)SCCO1 ZINC000282922858 511163695 /nfs/dbraw/zinc/16/36/95/511163695.db2.gz CIOVGJFQTWKDQF-UHFFFAOYSA-N 0 0 362.495 2.506 20 10 FFCDRN CC[C@H](C)[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271399594 511191739 /nfs/dbraw/zinc/19/17/39/511191739.db2.gz NJDSMVSHFRDMMS-WFASDCNBSA-N 0 0 354.472 2.805 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccnc(C(F)(F)F)c2)c1O ZINC000298177623 511198972 /nfs/dbraw/zinc/19/89/72/511198972.db2.gz RGEHEHNFPUCKFX-UHFFFAOYSA-N 0 0 355.316 2.814 20 10 FFCDRN 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CCc1nc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000299093613 511512115 /nfs/dbraw/zinc/51/21/15/511512115.db2.gz NWSKEOHHYWNOHD-UHFFFAOYSA-N 0 0 359.495 2.743 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2ccco2)cc1 ZINC000283838634 511517556 /nfs/dbraw/zinc/51/75/56/511517556.db2.gz CWFGZHPJTDVNQP-HNNXBMFYSA-N 0 0 357.454 2.962 20 10 FFCDRN CN(C)c1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000299112259 511519200 /nfs/dbraw/zinc/51/92/00/511519200.db2.gz QZYUJHRRKFXWTH-UHFFFAOYSA-N 0 0 367.493 2.838 20 10 FFCDRN C[C@@H]1C[C@@H](CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000273148369 511519488 /nfs/dbraw/zinc/51/94/88/511519488.db2.gz LLLNFIMXBFNDMS-SJORKVTESA-N 0 0 361.486 2.528 20 10 FFCDRN CC(C)OCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000273284900 511521944 /nfs/dbraw/zinc/52/19/44/511521944.db2.gz JOXUBRXJAHNIPG-GASCZTMLSA-N 0 0 367.465 2.664 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273343568 511523079 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FFCDRN Cc1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C2CC2)n1 ZINC000281793157 511968570 /nfs/dbraw/zinc/96/85/70/511968570.db2.gz IDGIJALSLYMSOV-UHFFFAOYSA-N 0 0 370.428 2.568 20 10 FFCDRN COc1ccc(F)cc1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000274898929 511980117 /nfs/dbraw/zinc/98/01/17/511980117.db2.gz FXKHFUQSDHAKTD-UHFFFAOYSA-N 0 0 358.413 2.530 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1nnn(Cc2cc(C)no2)c1C ZINC000293510289 511991717 /nfs/dbraw/zinc/99/17/17/511991717.db2.gz XGBFIJOYYJZPTN-UHFFFAOYSA-N 0 0 369.425 2.689 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c(cn1)nc[nH]c2=O ZINC000275062230 512029971 /nfs/dbraw/zinc/02/99/71/512029971.db2.gz IIZGRLWLXNJZAV-UHFFFAOYSA-N 0 0 365.437 2.847 20 10 FFCDRN CCOC(=O)c1nc(NC(=O)NCc2ccccc2O)sc1C(C)=O ZINC000297142946 512035975 /nfs/dbraw/zinc/03/59/75/512035975.db2.gz OYHULDCTAMRYNL-UHFFFAOYSA-N 0 0 363.395 2.550 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(=CC(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000293751469 512073267 /nfs/dbraw/zinc/07/32/67/512073267.db2.gz QUQSNYGQGSOIQW-UHFFFAOYSA-N 0 0 362.426 2.671 20 10 FFCDRN COc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)c(O)c1 ZINC000366533314 512076517 /nfs/dbraw/zinc/07/65/17/512076517.db2.gz SZETWSYHZCGAMG-GOSISDBHSA-N 0 0 368.433 2.712 20 10 FFCDRN COc1ccc(CNC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c(O)c1 ZINC000366534921 512076947 /nfs/dbraw/zinc/07/69/47/512076947.db2.gz WRCFOQCQOFGDJM-LJQANCHMSA-N 0 0 370.430 2.646 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000293838250 512095480 /nfs/dbraw/zinc/09/54/80/512095480.db2.gz TWJWJWRUBFZXLA-YJBOKZPZSA-N 0 0 360.479 2.708 20 10 FFCDRN COc1cccc(CNC(=O)NCc2cc(COC(C)(C)C)on2)c1O ZINC000275290427 512097174 /nfs/dbraw/zinc/09/71/74/512097174.db2.gz OOJBPHSWDSNGKN-UHFFFAOYSA-N 0 0 363.414 2.703 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CCO[C@@H]3c3cccnc3)ccc21 ZINC000275300922 512099363 /nfs/dbraw/zinc/09/93/63/512099363.db2.gz ALJAXKLYEGSOMB-AZUAARDMSA-N 0 0 366.465 2.793 20 10 FFCDRN COc1ccc(CNC(=O)[C@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1 ZINC000373664513 512447725 /nfs/dbraw/zinc/44/77/25/512447725.db2.gz DIBHIDVFOJZFSV-KRWDZBQOSA-N 0 0 368.433 2.569 20 10 FFCDRN CCOC(=O)C1(COC)CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC000373813490 512517779 /nfs/dbraw/zinc/51/77/79/512517779.db2.gz UGRLRZDEZMBZJD-UHFFFAOYSA-N 0 0 367.417 2.526 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1 ZINC000375815390 512522377 /nfs/dbraw/zinc/52/23/77/512522377.db2.gz NYQWTBXSLXKVDT-XLIONFOSSA-N 0 0 361.486 2.622 20 10 FFCDRN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000367530137 512545277 /nfs/dbraw/zinc/54/52/77/512545277.db2.gz AKOPIEHGIQEOIS-OAHLLOKOSA-N 0 0 363.307 2.661 20 10 FFCDRN Cc1nn(C)cc1[C@@H]1CCCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000371947650 512648863 /nfs/dbraw/zinc/64/88/63/512648863.db2.gz KMUJVRSIXIMVQM-FQEVSTJZSA-N 0 0 369.513 2.590 20 10 FFCDRN Cc1ccc(C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)c(O)c1O ZINC000367880921 512704008 /nfs/dbraw/zinc/70/40/08/512704008.db2.gz WGHDNQFXALRQNX-UHFFFAOYSA-N 0 0 369.421 2.833 20 10 FFCDRN CC(=O)N1CC[C@@](C)(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000369974147 512707218 /nfs/dbraw/zinc/70/72/18/512707218.db2.gz CSNZTLYANJOWNP-OAQYLSRUSA-N 0 0 357.498 2.798 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1 ZINC000374700441 512962233 /nfs/dbraw/zinc/96/22/33/512962233.db2.gz ISLYFDXACOFDGC-QGZVFWFLSA-N 0 0 371.485 2.716 20 10 FFCDRN C[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1c1ccc(F)cc1 ZINC000376827478 513004581 /nfs/dbraw/zinc/00/45/81/513004581.db2.gz IVAFEPCWNQJMLO-AXGZHGFKSA-N 0 0 356.397 2.812 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1csc(S(C)(=O)=O)c1 ZINC000471219192 514802792 /nfs/dbraw/zinc/80/27/92/514802792.db2.gz GVBXSBHTWCCHNP-UHFFFAOYSA-N 0 0 362.476 2.882 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cccc2c1CCO2 ZINC000484812778 514804213 /nfs/dbraw/zinc/80/42/13/514804213.db2.gz UMEBZGUCFUNOPN-UHFFFAOYSA-N 0 0 363.417 2.677 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCn1cnc2ccccc2c1=O ZINC000471233711 514809304 /nfs/dbraw/zinc/80/93/04/514809304.db2.gz KDBKZYVKMMOSHL-UHFFFAOYSA-N 0 0 374.444 2.903 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(C(N)=O)cc1 ZINC000471619003 514958750 /nfs/dbraw/zinc/95/87/50/514958750.db2.gz LUHIQHCDGYPSEQ-UHFFFAOYSA-N 0 0 350.422 2.585 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](O)Cc1ccccc1Cl ZINC000476672554 515151162 /nfs/dbraw/zinc/15/11/62/515151162.db2.gz FNBZSHCFJVROMA-KRWDZBQOSA-N 0 0 360.841 2.735 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000472220504 515175778 /nfs/dbraw/zinc/17/57/78/515175778.db2.gz GZZDSKWJNZAMSS-QGZVFWFLSA-N 0 0 371.481 2.966 20 10 FFCDRN COCCOC[C@@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472281756 515200259 /nfs/dbraw/zinc/20/02/59/515200259.db2.gz SMTWNPNVCQPDBC-MRXNPFEDSA-N 0 0 359.470 2.681 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccnn1C(C)C ZINC000472787035 515396635 /nfs/dbraw/zinc/39/66/35/515396635.db2.gz LKYMRPCJYVTTHQ-UHFFFAOYSA-N 0 0 353.426 2.519 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccnn1C(C)(C)C ZINC000472808735 515406439 /nfs/dbraw/zinc/40/64/39/515406439.db2.gz WBHSUXKVUIRAPX-UHFFFAOYSA-N 0 0 367.453 2.693 20 10 FFCDRN CCNC(=O)NC1(C(=O)NCc2c(C)c3ccccc3n2C)CCCC1 ZINC000473267179 515556280 /nfs/dbraw/zinc/55/62/80/515556280.db2.gz ZOIAKFIGNZQWOO-UHFFFAOYSA-N 0 0 356.470 2.735 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Cc2ccc(OC)c(OC(F)F)c2)c1 ZINC000528864754 516757766 /nfs/dbraw/zinc/75/77/66/516757766.db2.gz ROSINUIBTVKFCG-UHFFFAOYSA-N 0 0 367.348 2.870 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)n1[C@@H]1CCOC1 ZINC000528997393 516850983 /nfs/dbraw/zinc/85/09/83/516850983.db2.gz VIZIRQZTZFLOPM-MLGOLLRUSA-N 0 0 358.438 2.839 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCN(C(C)=O)C3)ccc21 ZINC000552352595 517213747 /nfs/dbraw/zinc/21/37/47/517213747.db2.gz NDFIAIRELVYOPR-QGZVFWFLSA-N 0 0 371.481 2.503 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1nc2c(s1)CCC2 ZINC000526922347 517389702 /nfs/dbraw/zinc/38/97/02/517389702.db2.gz YBJWVALDAQMJOQ-UHFFFAOYSA-N 0 0 368.462 2.687 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000583653951 519360520 /nfs/dbraw/zinc/36/05/20/519360520.db2.gz RQEFMXPUYICTBD-GOSISDBHSA-N 0 0 364.449 2.795 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[C@@H](C)n4ncnc43)ccc21 ZINC000617437087 520498018 /nfs/dbraw/zinc/49/80/18/520498018.db2.gz GOQAXQMJOONWAN-SJKOYZFVSA-N 0 0 367.453 2.932 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](C)[C@@H](CO)C3)ccc21 ZINC000622227270 523341151 /nfs/dbraw/zinc/34/11/51/523341151.db2.gz IEYPXSSVRHVLJD-RDTXWAMCSA-N 0 0 358.482 2.995 20 10 FFCDRN CN1CCCc2cc(CNc3c4ccccc4nnc3-c3nn[nH]n3)ccc21 ZINC000736857288 598963445 /nfs/dbraw/zinc/96/34/45/598963445.db2.gz PWPUXPJFWLIBQR-UHFFFAOYSA-N 0 0 372.436 2.804 20 10 FFCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)o2)SC(=S)N1c1ccccc1 ZINC000823503378 599380699 /nfs/dbraw/zinc/38/06/99/599380699.db2.gz FELWEKCKXLDVMC-XYOKQWHBSA-N 0 0 355.404 2.866 20 10 FFCDRN O=C([O-])NCCCOC1CC[NH+](Cc2c(O)ccc3ccncc32)CC1 ZINC000832633578 604151161 /nfs/dbraw/zinc/15/11/61/604151161.db2.gz UJSJLIPGJPBYHG-UHFFFAOYSA-N 0 0 359.426 2.579 20 10 FFCDRN C[C@H](c1ccccc1)[N@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1O ZINC000833549233 605077287 /nfs/dbraw/zinc/07/72/87/605077287.db2.gz PLBAUQQWGFOGQP-OAHLLOKOSA-N 0 0 356.422 2.546 20 10 FFCDRN O=C([O-])N(CC1CC1)C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000834062413 605612065 /nfs/dbraw/zinc/61/20/65/605612065.db2.gz IVBJUKGZKGHHSW-UHFFFAOYSA-N 0 0 373.497 2.878 20 10 FFCDRN Clc1ccc(NCCCSc2nccs2)nc1-c1nn[nH]n1 ZINC000822578472 606467245 /nfs/dbraw/zinc/46/72/45/606467245.db2.gz JNWSWJNRIGFNKX-UHFFFAOYSA-N 0 0 353.864 2.966 20 10 FFCDRN COc1ccc(N(C)CCCOc2cccc(-c3nn[nH]n3)c2)cc1F ZINC000821828158 606912187 /nfs/dbraw/zinc/91/21/87/606912187.db2.gz RIOMCGWMDQIXBC-UHFFFAOYSA-N 0 0 357.389 2.920 20 10 FFCDRN CN(C(=O)C=Cc1cncc(F)c1)c1cc(Cl)ccc1-c1nn[nH]n1 ZINC000821569809 606962961 /nfs/dbraw/zinc/96/29/61/606962961.db2.gz WODZEUXLEUNZQR-GORDUTHDSA-N 0 0 358.764 2.730 20 10 FFCDRN CN(C)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[nH]n3)c2)cc1F ZINC000825878747 607840579 /nfs/dbraw/zinc/84/05/79/607840579.db2.gz DFUGHAAEDFKQNC-UHFFFAOYSA-N 0 0 357.349 2.592 20 10 FFCDRN CN(C)c1ccc(CNc2ccc(-c3nn[nH]n3)c([N+](=O)[O-])c2)cc1F ZINC000825879428 607840593 /nfs/dbraw/zinc/84/05/93/607840593.db2.gz NEMVVEXBMREFSY-UHFFFAOYSA-N 0 0 357.349 2.592 20 10 FFCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)c1cccc(F)c1-c1nn[nH]n1 ZINC000826511073 608076802 /nfs/dbraw/zinc/07/68/02/608076802.db2.gz AXNWLJSARMDKMP-AWEZNQCLSA-N 0 0 369.400 2.897 20 10 FFCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1cccc(F)c1-c1nn[nH]n1 ZINC000826511074 608076849 /nfs/dbraw/zinc/07/68/49/608076849.db2.gz AXNWLJSARMDKMP-CQSZACIVSA-N 0 0 369.400 2.897 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)Cc2cc(C#N)ccc2F)cc1 ZINC000160197735 728918973 /nfs/dbraw/zinc/91/89/73/728918973.db2.gz JKDIODHCZMQNFT-UHFFFAOYSA-N 0 0 361.442 2.725 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc(C)nc2Br)c1 ZINC000160305814 728920178 /nfs/dbraw/zinc/92/01/78/728920178.db2.gz OBVOFXXEXOGUTK-UHFFFAOYSA-N 0 0 351.200 2.797 20 10 FFCDRN CCC[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000160400401 728921335 /nfs/dbraw/zinc/92/13/35/728921335.db2.gz MJTJHQVZRHRYIU-SFHVURJKSA-N 0 0 363.527 2.950 20 10 FFCDRN COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000897987785 735300551 /nfs/dbraw/zinc/30/05/51/735300551.db2.gz UJKQONOYJYCNSA-LLVKDONJSA-N 0 0 353.781 2.793 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1C(=S)N=NC1C ZINC000743502216 735302129 /nfs/dbraw/zinc/30/21/29/735302129.db2.gz XLWHOBMKJLTNKO-UHFFFAOYSA-N 0 0 361.496 2.774 20 10 FFCDRN CS[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000743554059 735305423 /nfs/dbraw/zinc/30/54/23/735305423.db2.gz WJQVEWXHOVPMIH-LSDHHAIUSA-N 0 0 367.490 2.746 20 10 FFCDRN Cc1cnc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000743564260 735305836 /nfs/dbraw/zinc/30/58/36/735305836.db2.gz HKMDRCKXJWGLPI-CQSZACIVSA-N 0 0 360.483 2.849 20 10 FFCDRN CN(c1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1)S(C)(=O)=O ZINC000898286832 735336733 /nfs/dbraw/zinc/33/67/33/735336733.db2.gz MKWOKFZPSSJXOQ-UHFFFAOYSA-N 0 0 354.859 2.731 20 10 FFCDRN COc1ccc(N(CC(=O)NC(=O)NCC(F)(F)F)CC(C)C)cc1 ZINC000746170350 735467654 /nfs/dbraw/zinc/46/76/54/735467654.db2.gz PWXACWREWCNJAB-UHFFFAOYSA-N 0 0 361.364 2.546 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000044325473 727985535 /nfs/dbraw/zinc/98/55/35/727985535.db2.gz DQUNWSUEIMYAMU-HOTGVXAUSA-N 0 0 353.532 2.797 20 10 FFCDRN CCCC1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000055433638 728096813 /nfs/dbraw/zinc/09/68/13/728096813.db2.gz YBETVDPEKWIHHF-UHFFFAOYSA-N 0 0 354.472 2.852 20 10 FFCDRN CCc1nc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000065561706 728157770 /nfs/dbraw/zinc/15/77/70/728157770.db2.gz BOPRRXLFLSPUSA-CQSZACIVSA-N 0 0 359.495 2.962 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC(C)(C)O1 ZINC000065689989 728160627 /nfs/dbraw/zinc/16/06/27/728160627.db2.gz TVHVOEUTSAUHIJ-HNNXBMFYSA-N 0 0 363.527 2.949 20 10 FFCDRN CC(=O)NCc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000069960201 728203116 /nfs/dbraw/zinc/20/31/16/728203116.db2.gz QNCUPFSHQVEQND-UHFFFAOYSA-N 0 0 357.479 2.697 20 10 FFCDRN COCCN(CC(=O)N1CCCC[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000083212447 728411083 /nfs/dbraw/zinc/41/10/83/728411083.db2.gz NDLFOUHDNQQIEW-OAHLLOKOSA-N 0 0 350.459 2.558 20 10 FFCDRN COCC[N@H+]1[C@H](C)CN(Cc2cccc(Br)c2[O-])C[C@@H]1C ZINC000093479055 728476389 /nfs/dbraw/zinc/47/63/89/728476389.db2.gz NPQWYZZQAGSXMN-BETUJISGSA-N 0 0 357.292 2.696 20 10 FFCDRN C[C@H](N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1)C(F)(F)F ZINC000093882978 728478211 /nfs/dbraw/zinc/47/82/11/728478211.db2.gz DTFDSHKVYOPRSS-HNNXBMFYSA-N 0 0 357.420 2.592 20 10 FFCDRN CC(C)N(Cc1ccccc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000093919991 728478701 /nfs/dbraw/zinc/47/87/01/728478701.db2.gz PURQEIZAXWMGDJ-UHFFFAOYSA-N 0 0 362.451 2.815 20 10 FFCDRN CC(C)(NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)cc1 ZINC000094106677 728479624 /nfs/dbraw/zinc/47/96/24/728479624.db2.gz DGEVYBAUFFAGDU-UHFFFAOYSA-N 0 0 366.414 2.568 20 10 FFCDRN CC(C)NC(=O)CCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000104146714 728500640 /nfs/dbraw/zinc/50/06/40/728500640.db2.gz ITVORDGJXAZKKJ-UHFFFAOYSA-N 0 0 363.527 2.551 20 10 FFCDRN CCCCCCOCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000107455985 728516590 /nfs/dbraw/zinc/51/65/90/728516590.db2.gz AVQRIQRIKRBAFN-UHFFFAOYSA-N 0 0 352.450 2.875 20 10 FFCDRN COC[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000113596543 728556095 /nfs/dbraw/zinc/55/60/95/728556095.db2.gz VGYJAKVNYAEBHH-KRWDZBQOSA-N 0 0 363.527 2.808 20 10 FFCDRN COc1ccc(S(=O)(=O)NCCCSc2nccs2)c(C)c1 ZINC000114210252 728559303 /nfs/dbraw/zinc/55/93/03/728559303.db2.gz YEHAAQSBYASSHU-UHFFFAOYSA-N 0 0 358.510 2.921 20 10 FFCDRN CCC(CC)N1C[C@H](C(=O)NCCCSc2nccs2)CC1=O ZINC000114375149 728559993 /nfs/dbraw/zinc/55/99/93/728559993.db2.gz OZEYQUKDJDDFFI-GFCCVEGCSA-N 0 0 355.529 2.779 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2C)cc1S(C)(=O)=O ZINC000115280167 728564635 /nfs/dbraw/zinc/56/46/35/728564635.db2.gz JWBAPULSGFKKGG-UHFFFAOYSA-N 0 0 360.479 2.703 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2csc([N+](=O)[O-])c2)cc1 ZINC000119357125 728592671 /nfs/dbraw/zinc/59/26/71/728592671.db2.gz FJKNEPSXEZPJCS-UHFFFAOYSA-N 0 0 355.441 2.543 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2cccnc2Br)c1 ZINC000119594793 728596924 /nfs/dbraw/zinc/59/69/24/728596924.db2.gz YHUULNZGDDBZLI-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2cc(Cl)cn2C)cc1 ZINC000119991965 728603690 /nfs/dbraw/zinc/60/36/90/728603690.db2.gz UCWGTTQLBWQYOR-UHFFFAOYSA-N 0 0 362.905 2.835 20 10 FFCDRN COc1ccc(N2CCN(Cc3c(C)nn(C)c3Cl)CC2)cc1F ZINC000122092544 728643790 /nfs/dbraw/zinc/64/37/90/728643790.db2.gz NQLUQGKSULPPIJ-UHFFFAOYSA-N 0 0 352.841 2.852 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1OC(F)F ZINC000122348790 728646624 /nfs/dbraw/zinc/64/66/24/728646624.db2.gz WELKQIZQVMVZRY-UHFFFAOYSA-N 0 0 350.321 2.591 20 10 FFCDRN COc1cc(Br)ccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000122863575 728652736 /nfs/dbraw/zinc/65/27/36/728652736.db2.gz SAMUAFKPRBRHPH-UHFFFAOYSA-N 0 0 366.211 2.841 20 10 FFCDRN O=C(NC[C@@H]1CCCS1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000127045006 728705301 /nfs/dbraw/zinc/70/53/01/728705301.db2.gz VCDYVPHYMPTQIX-CVEARBPZSA-N 0 0 350.484 2.978 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1O ZINC000129871379 728713754 /nfs/dbraw/zinc/71/37/54/728713754.db2.gz XIWLYXXQWBRHSF-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN Cn1ncc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1C1CC1 ZINC000140497126 728741515 /nfs/dbraw/zinc/74/15/15/728741515.db2.gz NUPPVPLOJZYVIC-UHFFFAOYSA-N 0 0 356.495 2.781 20 10 FFCDRN CNC(=O)c1cccc(NC(=O)NCCCSc2nccs2)c1 ZINC000151179655 728744515 /nfs/dbraw/zinc/74/45/15/728744515.db2.gz NICROIRXERCLLC-UHFFFAOYSA-N 0 0 350.469 2.807 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)Cc2c(F)cccc2F)c1 ZINC000163367576 728956558 /nfs/dbraw/zinc/95/65/58/728956558.db2.gz SHELFEXEGBGZRB-JTQLQIEISA-N 0 0 357.378 2.860 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccccc2OC(F)F)cc1F ZINC000171092018 728996967 /nfs/dbraw/zinc/99/69/67/728996967.db2.gz IZGQBNPHLIOHLJ-UHFFFAOYSA-N 0 0 374.384 2.972 20 10 FFCDRN Cc1cc(C(=O)NCc2nc[nH]n2)c(C)n1-c1cccc(Br)c1 ZINC000171266486 729001000 /nfs/dbraw/zinc/00/10/00/729001000.db2.gz YFCAQJYCTKAZNQ-UHFFFAOYSA-N 0 0 374.242 2.905 20 10 FFCDRN Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)C3CC3)cc2)cc1 ZINC000171328765 729002378 /nfs/dbraw/zinc/00/23/78/729002378.db2.gz RPIYTNFDNKIYGM-UHFFFAOYSA-N 0 0 366.464 2.700 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000172561104 729028249 /nfs/dbraw/zinc/02/82/49/729028249.db2.gz MMYRLVYYQKYIRW-HNNXBMFYSA-N 0 0 360.479 2.662 20 10 FFCDRN C[C@@H](NC(=O)NCCCSc1nccs1)c1nnc2ccccn21 ZINC000177739593 729145542 /nfs/dbraw/zinc/14/55/42/729145542.db2.gz QFLROKPBTKMWJW-LLVKDONJSA-N 0 0 362.484 2.728 20 10 FFCDRN Cc1nn(C)c(C)c1CCNC(=O)NCCCSc1nccs1 ZINC000177772270 729146344 /nfs/dbraw/zinc/14/63/44/729146344.db2.gz KQAIIBNSOLRHLE-UHFFFAOYSA-N 0 0 353.517 2.518 20 10 FFCDRN CS(=O)(=O)c1ccc(F)c(C(=O)NCCCSc2nccs2)c1 ZINC000178761224 729169104 /nfs/dbraw/zinc/16/91/04/729169104.db2.gz IDWHBPLUVVBUNM-UHFFFAOYSA-N 0 0 374.484 2.598 20 10 FFCDRN CCOc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000181214315 729238439 /nfs/dbraw/zinc/23/84/39/729238439.db2.gz SWOMGPMZGLQTRZ-UHFFFAOYSA-N 0 0 361.467 2.559 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1F ZINC000185975462 729359020 /nfs/dbraw/zinc/35/90/20/729359020.db2.gz FJKZDLKXWYSQAY-UHFFFAOYSA-N 0 0 351.447 2.733 20 10 FFCDRN CC(C)(O)CN(C(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000190301286 729406862 /nfs/dbraw/zinc/40/68/62/729406862.db2.gz BBMCVQWREFUDOG-UHFFFAOYSA-N 0 0 363.527 2.685 20 10 FFCDRN Cn1ccc2cccc(NC(=O)C(=O)NCCCSc3nccs3)c21 ZINC000190553350 729409254 /nfs/dbraw/zinc/40/92/54/729409254.db2.gz AJNDSHSANCNJCC-UHFFFAOYSA-N 0 0 374.491 2.872 20 10 FFCDRN COC(=O)c1cc2ccccc2c(CN2CCO[C@@H](C(F)F)C2)c1O ZINC000193448257 729479554 /nfs/dbraw/zinc/47/95/54/729479554.db2.gz BYCWWAWHLPZFAO-OAHLLOKOSA-N 0 0 351.349 2.798 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCCCSc2nccs2)c(Cl)n1 ZINC000193892989 729493365 /nfs/dbraw/zinc/49/33/65/729493365.db2.gz NWGJBXIEWNNBDH-UHFFFAOYSA-N 0 0 363.917 2.961 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc1F ZINC000195019259 729527290 /nfs/dbraw/zinc/52/72/90/729527290.db2.gz ONPDHRXZXFJQKK-ZDUSSCGKSA-N 0 0 361.383 2.782 20 10 FFCDRN O=C1NCCN(Cc2ccccc2O)[C@@H]1c1ccccc1Br ZINC000779030316 738430939 /nfs/dbraw/zinc/43/09/39/738430939.db2.gz MHRHQAKMKKMMQJ-MRXNPFEDSA-N 0 0 361.239 2.828 20 10 FFCDRN CS[C@H](C)CCC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000779110086 738437189 /nfs/dbraw/zinc/43/71/89/738437189.db2.gz YRJJTZKMOHGKMD-CQSZACIVSA-N 0 0 352.500 2.786 20 10 FFCDRN CS(=O)(=O)Nc1ccc(NS(=O)(=O)/C=C\c2ccc(F)cc2)cc1 ZINC000255054298 729630380 /nfs/dbraw/zinc/63/03/80/729630380.db2.gz SYGNZPJSLXPYRL-KHPPLWFESA-N 0 0 370.427 2.610 20 10 FFCDRN C[C@@H](NCc1cc(C(N)=O)co1)c1ccc(N2CCOCC2)cc1Cl ZINC000779068893 738433892 /nfs/dbraw/zinc/43/38/92/738433892.db2.gz FQCQFYSIEGCCFB-GFCCVEGCSA-N 0 0 363.845 2.719 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2csc3ccccc23)c1O ZINC000779159686 738441020 /nfs/dbraw/zinc/44/10/20/738441020.db2.gz QYLMDGDWDSRNFB-UHFFFAOYSA-N 0 0 356.403 2.870 20 10 FFCDRN C[C@@H](C[C@@H]1CCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761447830 736736040 /nfs/dbraw/zinc/73/60/40/736736040.db2.gz KNPBYWIQBVHKFT-RYUDHWBXSA-N 0 0 352.818 2.625 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1scnc1Cl ZINC000856210472 730316092 /nfs/dbraw/zinc/31/60/92/730316092.db2.gz DAPCJQIEWRQSCF-UHFFFAOYSA-N 0 0 351.859 2.688 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1csc(Cl)n1 ZINC000856213140 730316333 /nfs/dbraw/zinc/31/63/33/730316333.db2.gz WWLKISSQMINLCJ-UHFFFAOYSA-N 0 0 351.859 2.688 20 10 FFCDRN Cc1csc([C@@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000856213737 730316365 /nfs/dbraw/zinc/31/63/65/730316365.db2.gz VRUWZNNPRAVZEO-AWEZNQCLSA-N 0 0 359.495 2.833 20 10 FFCDRN COC(=O)CCCc1csc(NC(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000779526473 738468893 /nfs/dbraw/zinc/46/88/93/738468893.db2.gz ANQISJTWKJYZOD-SOFGYWHQSA-N 0 0 362.407 2.702 20 10 FFCDRN COC(=O)CCCc1csc(NC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000779526474 738468925 /nfs/dbraw/zinc/46/89/25/738468925.db2.gz ANQISJTWKJYZOD-VURMDHGXSA-N 0 0 362.407 2.702 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2cnc(Br)cn2)cc1 ZINC000856768586 730356196 /nfs/dbraw/zinc/35/61/96/730356196.db2.gz LEZYQTIJQLSGTA-UHFFFAOYSA-N 0 0 351.248 2.820 20 10 FFCDRN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000857864247 730413122 /nfs/dbraw/zinc/41/31/22/730413122.db2.gz GJADKZJGVIURBU-JOYOIKCWSA-N 0 0 364.243 2.860 20 10 FFCDRN Cc1cn(CC(=O)N(C)Cc2ccc(N(C)C)cc2)nc1C(F)(F)F ZINC000858199397 730419558 /nfs/dbraw/zinc/41/95/58/730419558.db2.gz AUGHHWOARDMKTA-UHFFFAOYSA-N 0 0 354.376 2.935 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCN(C3CCC3)C2=O)c1 ZINC000858342594 730423430 /nfs/dbraw/zinc/42/34/30/730423430.db2.gz OEILFTAWFKFSLB-CQSZACIVSA-N 0 0 353.260 2.706 20 10 FFCDRN CCO[C@@H](CS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000859192622 730444771 /nfs/dbraw/zinc/44/47/71/730444771.db2.gz YDCXRTZVSDMBNR-BEFAXECRSA-N 0 0 368.543 2.727 20 10 FFCDRN Cc1oc(S(C)(=O)=O)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000860243231 730493224 /nfs/dbraw/zinc/49/32/24/730493224.db2.gz HIQNZXASXBZMHK-UHFFFAOYSA-N 0 0 363.435 2.506 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCNC(=O)[C@H]2c2cccs2)cc1F ZINC000862247718 730681270 /nfs/dbraw/zinc/68/12/70/730681270.db2.gz BHEXOYNDJUHVGT-MRXNPFEDSA-N 0 0 351.422 2.765 20 10 FFCDRN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1c(O)cccc1Br ZINC000862338221 730689793 /nfs/dbraw/zinc/68/97/93/730689793.db2.gz MYUCPDFFDVPHND-RWSFTLGLSA-N 0 0 354.244 2.928 20 10 FFCDRN COCCN(Cc1ccnn1C)Cc1c(O)cccc1Br ZINC000862351707 730690923 /nfs/dbraw/zinc/69/09/23/730690923.db2.gz RMCZDYKFMWRCBQ-UHFFFAOYSA-N 0 0 354.248 2.537 20 10 FFCDRN C[C@@H]1CN(Cc2c(O)cccc2Br)C[C@]2(CCCOC2)O1 ZINC000862352593 730690934 /nfs/dbraw/zinc/69/09/34/730690934.db2.gz FIYMMCRYFJEINZ-WBMJQRKESA-N 0 0 356.260 2.925 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCN(c3ccnc(F)c3)CC2)cc1F ZINC000862386459 730695386 /nfs/dbraw/zinc/69/53/86/730695386.db2.gz QMRZVSIWJVQDQO-UHFFFAOYSA-N 0 0 350.388 2.887 20 10 FFCDRN CN(C)c1cc(F)c(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)cc1F ZINC000862424998 730700723 /nfs/dbraw/zinc/70/07/23/730700723.db2.gz JVUTXHDDIVAOAY-QGZVFWFLSA-N 0 0 366.433 2.790 20 10 FFCDRN CCOC(=O)[C@@H](NCc1cc(F)ccc1O)[C@H](O)c1ccc(Cl)cc1 ZINC000862427766 730701324 /nfs/dbraw/zinc/70/13/24/730701324.db2.gz GGLJQVDYECMQAY-DLBZAZTESA-N 0 0 367.804 2.940 20 10 FFCDRN C[C@](CO)([NH2+]Cc1cccc(Br)c1[O-])c1cccc(O)c1 ZINC000862432918 730702220 /nfs/dbraw/zinc/70/22/20/730702220.db2.gz QOEXOYAUMBTXKY-MRXNPFEDSA-N 0 0 352.228 2.858 20 10 FFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000862536501 730707366 /nfs/dbraw/zinc/70/73/66/730707366.db2.gz OLJTVULEDMXCSB-HNNXBMFYSA-N 0 0 365.836 2.570 20 10 FFCDRN COC(=O)Cc1sccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000864863069 730885998 /nfs/dbraw/zinc/88/59/98/730885998.db2.gz PPNLZSDKDJTSAA-UHFFFAOYSA-N 0 0 358.463 2.994 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1C[C@H]1C1CCOCC1 ZINC000864919519 730891796 /nfs/dbraw/zinc/89/17/96/730891796.db2.gz XVGJAVWQVZCMGY-RBUKOAKNSA-N 0 0 360.523 2.919 20 10 FFCDRN O=C1/C(=C\c2cn(C[C@@H]3CCCO3)nn2)SC(=S)N1c1ccccc1 ZINC000865215325 730924852 /nfs/dbraw/zinc/92/48/52/730924852.db2.gz OHBCDYBYRNJDBS-AHSSXEFNSA-N 0 0 372.475 2.863 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1CC2(CSC2)C1 ZINC000865953053 731014826 /nfs/dbraw/zinc/01/48/26/731014826.db2.gz CGSKSEMHBBADQA-UHFFFAOYSA-N 0 0 360.523 2.655 20 10 FFCDRN C[C@H]1C[C@@H]1c1noc(C(=O)NCc2cccc(Br)c2O)n1 ZINC000865984425 731018687 /nfs/dbraw/zinc/01/86/87/731018687.db2.gz GZMYFNKETXYJNZ-CBAPKCEASA-N 0 0 352.188 2.591 20 10 FFCDRN C[C@@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000866522413 731070213 /nfs/dbraw/zinc/07/02/13/731070213.db2.gz VSHUBIWKJRYRSN-PSLIRLAXSA-N 0 0 361.225 2.571 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@]1(NC(=O)OC(C)(C)C)CC1(F)F ZINC000866597694 731079382 /nfs/dbraw/zinc/07/93/82/731079382.db2.gz XOJLOABNPFNWBH-MRXNPFEDSA-N 0 0 356.369 2.653 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)C[C@@H]3CCC3(F)F)CC2)cc1 ZINC000866707970 731089775 /nfs/dbraw/zinc/08/97/75/731089775.db2.gz CEDITDPTIJTTST-ZDUSSCGKSA-N 0 0 374.453 2.629 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)n1ccc(C(F)(F)F)n1 ZINC000867302035 731167422 /nfs/dbraw/zinc/16/74/22/731167422.db2.gz ITUIVZFMRSFUAC-NXEZZACHSA-N 0 0 357.332 2.622 20 10 FFCDRN COC(C)(C)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000925486933 738510076 /nfs/dbraw/zinc/51/00/76/738510076.db2.gz UEWCADZJXNTRQZ-GOEBONIOSA-N 0 0 350.459 2.896 20 10 FFCDRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867833799 731231959 /nfs/dbraw/zinc/23/19/59/731231959.db2.gz AYEPHPTVFAOPFJ-LBPRGKRZSA-N 0 0 351.472 2.901 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000868991337 731352894 /nfs/dbraw/zinc/35/28/94/731352894.db2.gz SZFPCNINQYZUIS-VXNVDRBHSA-N 0 0 353.138 2.905 20 10 FFCDRN COc1ccsc1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000870164388 731477839 /nfs/dbraw/zinc/47/78/39/731477839.db2.gz VIRUMRBVWAOQRN-UHFFFAOYSA-N 0 0 362.451 2.736 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1cncc(C(F)F)c1 ZINC000873752962 731960375 /nfs/dbraw/zinc/96/03/75/731960375.db2.gz PIBXDWGPHJFFDZ-UHFFFAOYSA-N 0 0 372.422 2.713 20 10 FFCDRN COC[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000874042452 732000264 /nfs/dbraw/zinc/00/02/64/732000264.db2.gz HOVUIHXVXOTOOA-MRXNPFEDSA-N 0 0 360.376 2.695 20 10 FFCDRN C[C@H](NC(=O)C(=O)Nc1nc2c(s1)CCCCC2)c1ccccc1O ZINC000874191548 732023735 /nfs/dbraw/zinc/02/37/35/732023735.db2.gz JRVRUORCXZMDNR-NSHDSACASA-N 0 0 359.451 2.934 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C[C@H](n2ccnc2)C(F)(F)F)cc1F ZINC000874250003 732031033 /nfs/dbraw/zinc/03/10/33/732031033.db2.gz BRKISAKYKOILLN-AWEZNQCLSA-N 0 0 358.339 2.898 20 10 FFCDRN Cc1ncc([C@H](C)NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000875285117 732140833 /nfs/dbraw/zinc/14/08/33/732140833.db2.gz RKYVQEBNORZWQK-NEPJUHHUSA-N 0 0 360.483 2.572 20 10 FFCDRN COCCc1ncc(CN2CCN(c3ccc(OC)c(F)c3)CC2)s1 ZINC000876807017 732283560 /nfs/dbraw/zinc/28/35/60/732283560.db2.gz WWCJPZCZHXFILD-UHFFFAOYSA-N 0 0 365.474 2.802 20 10 FFCDRN OC1CCN(c2ccc(CN3CCO[C@H](CC(F)(F)F)C3)cc2)CC1 ZINC000877640297 732403693 /nfs/dbraw/zinc/40/36/93/732403693.db2.gz XGLHZLOOXAJDTC-QGZVFWFLSA-N 0 0 358.404 2.801 20 10 FFCDRN [O-]c1c(C[NH2+]Cc2ccnc(N3CCSCC3)c2)ccc(F)c1F ZINC000877697453 732415617 /nfs/dbraw/zinc/41/56/17/732415617.db2.gz NEAOSMQRQAEVFK-UHFFFAOYSA-N 0 0 351.422 2.908 20 10 FFCDRN O=C1N[C@@H](c2cc(Br)ccc2O)N2CCc3ccccc3[C@@H]12 ZINC000877856099 732445304 /nfs/dbraw/zinc/44/53/04/732445304.db2.gz OFUFIOZLKSMKQZ-JKSUJKDBSA-N 0 0 359.223 2.883 20 10 FFCDRN CCOc1ccc(N(Cc2nnc(S(C)(=O)=O)s2)CC2CC2)cc1 ZINC000879117346 732650174 /nfs/dbraw/zinc/65/01/74/732650174.db2.gz 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736094638 /nfs/dbraw/zinc/09/46/38/736094638.db2.gz BRVTUNXASOEDPL-UWVGGRQHSA-N 0 0 352.797 2.610 20 10 FFCDRN CCCN(CCNC(=O)NCc1ccccc1O)C(=O)OC(C)(C)C ZINC000754125439 736128796 /nfs/dbraw/zinc/12/87/96/736128796.db2.gz ZCCJEXLFSKZJRJ-UHFFFAOYSA-N 0 0 351.447 2.839 20 10 FFCDRN CCN(CC)C(=O)CCC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000755351057 736250511 /nfs/dbraw/zinc/25/05/11/736250511.db2.gz VNXRCENMURZNQS-UHFFFAOYSA-N 0 0 351.466 2.937 20 10 FFCDRN CC(C)CSCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000756054489 736302698 /nfs/dbraw/zinc/30/26/98/736302698.db2.gz BLGBVIXAEOIIAT-UHFFFAOYSA-N 0 0 369.506 2.851 20 10 FFCDRN C[C@H]([NH2+]CCNc1cnccn1)c1cc(Br)c(F)cc1[O-] ZINC000756647386 736349509 /nfs/dbraw/zinc/34/95/09/736349509.db2.gz TZPDCHGODXSWSB-VIFPVBQESA-N 0 0 355.211 2.847 20 10 FFCDRN CN(CC(=O)Nc1ccccc1Br)C(=O)C1=CC(=O)CS1 ZINC000757672038 736418284 /nfs/dbraw/zinc/41/82/84/736418284.db2.gz LGAAUVNYKJWHCF-UHFFFAOYSA-N 0 0 369.240 2.927 20 10 FFCDRN COC(=O)c1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000905958688 736429301 /nfs/dbraw/zinc/42/93/01/736429301.db2.gz SRLNQYOHFAIPLC-UHFFFAOYSA-N 0 0 359.451 2.801 20 10 FFCDRN COc1ccc(N(C)CC(=O)NC(=O)NC2CCCCC2)cc1Cl ZINC000757855745 736430923 /nfs/dbraw/zinc/43/09/23/736430923.db2.gz IBATWXKFHPCDDW-UHFFFAOYSA-N 0 0 353.850 2.943 20 10 FFCDRN COc1ncccc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000906978920 736567568 /nfs/dbraw/zinc/56/75/68/736567568.db2.gz VQYJGZCRRUGUGP-UHFFFAOYSA-N 0 0 362.451 2.929 20 10 FFCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000759719750 736588786 /nfs/dbraw/zinc/58/87/86/736588786.db2.gz MIXXVQMQYBCRQH-GHMZBOCLSA-N 0 0 355.529 2.645 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)[C@@H]3CSCCN3C2=O)cc1F ZINC000761251008 736713692 /nfs/dbraw/zinc/71/36/92/736713692.db2.gz OXZAQQFAYGYHKQ-HNNXBMFYSA-N 0 0 351.447 2.552 20 10 FFCDRN Cc1cc(C2=N/C(=C\C3=S=C(C4CC4)N=C3)C(=O)O2)ccc1[N+](=O)[O-] ZINC000761787214 736761606 /nfs/dbraw/zinc/76/16/06/736761606.db2.gz UTESBTGGVHVGKZ-QPEQYQDCSA-N 0 0 355.375 2.620 20 10 FFCDRN CC(C)C[C@@H](CCO)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761994634 736780786 /nfs/dbraw/zinc/78/07/86/736780786.db2.gz WPGVVMMYMYUWJI-CYBMUJFWSA-N 0 0 368.861 2.855 20 10 FFCDRN O=C(NCCCCn1ccnc1)NCc1cccc(Br)c1O ZINC000764763481 737046809 /nfs/dbraw/zinc/04/68/09/737046809.db2.gz MIFGVDLMWQYTGB-UHFFFAOYSA-N 0 0 367.247 2.631 20 10 FFCDRN O=C(NCCc1cccnc1)NCc1cccc(Br)c1O ZINC000764762204 737046972 /nfs/dbraw/zinc/04/69/72/737046972.db2.gz OWZBOVNITUWOPN-UHFFFAOYSA-N 0 0 350.216 2.592 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1ccc2[nH]c(=O)oc2c1 ZINC000765752678 737153843 /nfs/dbraw/zinc/15/38/43/737153843.db2.gz YSHSXXMNDIPNHX-UHFFFAOYSA-N 0 0 363.167 2.932 20 10 FFCDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccc(Br)c1O ZINC000765754832 737154175 /nfs/dbraw/zinc/15/41/75/737154175.db2.gz WWRCVQAZDKSDOF-UHFFFAOYSA-N 0 0 365.183 2.922 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1OC ZINC000766239607 737211576 /nfs/dbraw/zinc/21/15/76/737211576.db2.gz NOKLCIHNCLUJOJ-UHFFFAOYSA-N 0 0 364.467 2.591 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1Cc2cc(F)ccc2O1 ZINC000804739287 740901924 /nfs/dbraw/zinc/90/19/24/740901924.db2.gz DXABLJMBAHXUIQ-HNNXBMFYSA-N 0 0 366.186 2.914 20 10 FFCDRN O=C(CCn1cc(Cl)cn1)NCc1cc(Br)ccc1O ZINC000804739184 740901948 /nfs/dbraw/zinc/90/19/48/740901948.db2.gz UMBOOZDYESDMMP-UHFFFAOYSA-N 0 0 358.623 2.711 20 10 FFCDRN OCc1ccnc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000767190574 737299796 /nfs/dbraw/zinc/29/97/96/737299796.db2.gz NLXZWGYHAUJUPG-UHFFFAOYSA-N 0 0 350.369 2.651 20 10 FFCDRN CN=[S@](C)(=O)CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000912798503 737341227 /nfs/dbraw/zinc/34/12/27/737341227.db2.gz LHXSGUOZPYMGRR-RUZDIDTESA-N 0 0 363.483 2.560 20 10 FFCDRN O=S(=O)(c1ccccc1)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000768152368 737401924 /nfs/dbraw/zinc/40/19/24/737401924.db2.gz MUBRKSDLQWNMQE-UHFFFAOYSA-N 0 0 366.870 2.552 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cnccc2C(F)(F)F)cc1 ZINC000785467157 738966445 /nfs/dbraw/zinc/96/64/45/738966445.db2.gz AGLJMGOLJLVLNO-UHFFFAOYSA-N 0 0 359.373 2.645 20 10 FFCDRN COC(=O)CN(Cc1cccc(OC)c1O)Cc1cc(Cl)ccc1O ZINC000769379091 737522573 /nfs/dbraw/zinc/52/25/73/737522573.db2.gz ILKJQNLEPPUSBC-UHFFFAOYSA-N 0 0 365.813 2.935 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](c2cccs2)C2CC2)c1 ZINC000769655380 737550989 /nfs/dbraw/zinc/55/09/89/737550989.db2.gz ZOMURXTXLGQBDA-HNNXBMFYSA-N 0 0 366.464 2.706 20 10 FFCDRN C[C@@H]([NH2+]Cc1nnnn1CC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000769983969 737588077 /nfs/dbraw/zinc/58/80/77/737588077.db2.gz BWIJAXNZELXRJG-MRVPVSSYSA-N 0 0 370.226 2.541 20 10 FFCDRN CNC(=O)CCOC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000770286687 737612349 /nfs/dbraw/zinc/61/23/49/737612349.db2.gz PWFZZRLNYHUJAU-UHFFFAOYSA-N 0 0 361.269 2.816 20 10 FFCDRN Cc1cc(CC(=O)NC[C@@H]2COCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000917812840 737777776 /nfs/dbraw/zinc/77/77/76/737777776.db2.gz LMCBWLCLKGQKIF-GOSISDBHSA-N 0 0 362.857 2.822 20 10 FFCDRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)NCc1ccccc1O ZINC000772441127 737812684 /nfs/dbraw/zinc/81/26/84/737812684.db2.gz NCTXTBFMEQVWQI-CQSZACIVSA-N 0 0 366.483 2.751 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(OC(C)C)cc2)c1 ZINC000773306355 737890843 /nfs/dbraw/zinc/89/08/43/737890843.db2.gz CVELHKYYBYJSJR-UHFFFAOYSA-N 0 0 351.424 2.667 20 10 FFCDRN CS[C@H](C)CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000773409338 737903483 /nfs/dbraw/zinc/90/34/83/737903483.db2.gz LXMAPUQCYMEIDI-CYBMUJFWSA-N 0 0 354.491 2.935 20 10 FFCDRN C[C@@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1cc(F)c(Cl)cc1Cl ZINC000920980224 737937788 /nfs/dbraw/zinc/93/77/88/737937788.db2.gz DNEVQHYQFDWUSL-SSDOTTSWSA-N 0 0 374.199 2.717 20 10 FFCDRN CCc1ccc([C@H](C)NC=C2C(=O)NC(=S)N(CC(C)C)C2=O)cc1 ZINC000920980342 737937955 /nfs/dbraw/zinc/93/79/55/737937955.db2.gz JJYHGQNWTODQQZ-RKPNYOAGSA-N 0 0 359.495 2.683 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000921447790 737985886 /nfs/dbraw/zinc/98/58/86/737985886.db2.gz SOPFQYTUQQQDQL-UWVGGRQHSA-N 0 0 369.434 2.892 20 10 FFCDRN CCOC1CC(O)(C[NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000774488378 737993891 /nfs/dbraw/zinc/99/38/91/737993891.db2.gz PBUWAHGTMASBJT-SBTGLGLWSA-N 0 0 362.239 2.874 20 10 FFCDRN O=C(NCc1c(O)cccc1F)N[C@H]1CCOC2(CCSCC2)C1 ZINC000921557166 738002062 /nfs/dbraw/zinc/00/20/62/738002062.db2.gz SNEBALLXOHLBKW-LBPRGKRZSA-N 0 0 354.447 2.775 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc(Cl)cc1 ZINC000774897645 738038037 /nfs/dbraw/zinc/03/80/37/738038037.db2.gz XPGXNZPQZHMQSF-CYBMUJFWSA-N 0 0 359.857 2.900 20 10 FFCDRN COc1c(O)c(CN[C@H](C)c2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000775113237 738063094 /nfs/dbraw/zinc/06/30/94/738063094.db2.gz VCVDOIYUAIFGEX-SECBINFHSA-N 0 0 350.375 2.840 20 10 FFCDRN C[C@@H](NC(=O)NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000922053936 738084665 /nfs/dbraw/zinc/08/46/65/738084665.db2.gz GUCZYIYRSDVKKQ-IUODEOHRSA-N 0 0 360.424 2.995 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCSC[C@H]2CCO)cc1 ZINC000775416087 738091436 /nfs/dbraw/zinc/09/14/36/738091436.db2.gz DSOMGNRPWPWFRP-QGZVFWFLSA-N 0 0 351.516 2.542 20 10 FFCDRN O=C(C[N@H+](Cc1cccc(Cl)c1[O-])C[C@@H]1CCCO1)N1CCCC1 ZINC000775719474 738117083 /nfs/dbraw/zinc/11/70/83/738117083.db2.gz UOEBZZMPPAOPOE-HNNXBMFYSA-N 0 0 352.862 2.649 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000776254161 738174631 /nfs/dbraw/zinc/17/46/31/738174631.db2.gz KHPWPBKUPLNVJH-UHFFFAOYSA-N 0 0 357.336 2.651 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC2(n3cc(Br)cn3)CC2)c1 ZINC000922801956 738202406 /nfs/dbraw/zinc/20/24/06/738202406.db2.gz GCOFBGDKXPSSAS-UHFFFAOYSA-N 0 0 367.203 2.538 20 10 FFCDRN O=C(NCc1cc(NC(=O)[C@@H]2CCCS2)ccc1O)[C@H]1CCCS1 ZINC000923118006 738242897 /nfs/dbraw/zinc/24/28/97/738242897.db2.gz ATBRZYPKFNPIJZ-CABCVRRESA-N 0 0 366.508 2.738 20 10 FFCDRN O=C(N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)C1=CC(=O)CS1 ZINC000777532528 738297237 /nfs/dbraw/zinc/29/72/37/738297237.db2.gz WUZZGRGTFAJTEM-GFCCVEGCSA-N 0 0 354.790 2.782 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[C@@H]1CCCCO1 ZINC000777827353 738324084 /nfs/dbraw/zinc/32/40/84/738324084.db2.gz ZZUKIKNDVWGFOC-HNNXBMFYSA-N 0 0 369.845 2.897 20 10 FFCDRN Cc1c(C(=O)NCc2ccc(N(C)C)cc2)sc2nc(C)nc(N)c12 ZINC000777839579 738324466 /nfs/dbraw/zinc/32/44/66/738324466.db2.gz OTURYYNZZMEHQP-UHFFFAOYSA-N 0 0 355.467 2.886 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)C[C@@H]1CCCOC1 ZINC000784744863 738916898 /nfs/dbraw/zinc/91/68/98/738916898.db2.gz YRCKTXYQXASRQB-GOSISDBHSA-N 0 0 366.527 2.865 20 10 FFCDRN Cc1ccc(CCCOC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC000785232308 738946917 /nfs/dbraw/zinc/94/69/17/738946917.db2.gz JTYFYHGTFNJXNU-UHFFFAOYSA-N 0 0 363.435 2.862 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCS[C@@H](C)C2)cc1 ZINC000929526356 738995772 /nfs/dbraw/zinc/99/57/72/738995772.db2.gz OZRIFDDXJSWQNQ-GOEBONIOSA-N 0 0 363.527 2.549 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(F)c(S(C)(=O)=O)c2)cc1 ZINC000785756418 738995837 /nfs/dbraw/zinc/99/58/37/738995837.db2.gz YBDCJKFSQIJTHI-UHFFFAOYSA-N 0 0 364.442 2.567 20 10 FFCDRN COCCN(Cc1ccnn1C)Cc1cc(Br)ccc1O ZINC000787331342 739128035 /nfs/dbraw/zinc/12/80/35/739128035.db2.gz IYPZDRUDEBOEPA-UHFFFAOYSA-N 0 0 354.248 2.537 20 10 FFCDRN O=C(NCCOCC(F)F)N(Cc1ccco1)Cc1ccccc1O ZINC000788319727 739232895 /nfs/dbraw/zinc/23/28/95/739232895.db2.gz XATQVNKBAHMVSC-UHFFFAOYSA-N 0 0 354.353 2.979 20 10 FFCDRN C[C@H]([NH2+]C[C@@]1(O)CCO[C@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000788626437 739265232 /nfs/dbraw/zinc/26/52/32/739265232.db2.gz SKNACKNZZMSHCR-FZNYLWTLSA-N 0 0 364.667 2.999 20 10 FFCDRN CC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(CC)CC)cc2)CCS1 ZINC000788964288 739303322 /nfs/dbraw/zinc/30/33/22/739303322.db2.gz DJFSQTWWZCBOIP-QGZVFWFLSA-N 0 0 363.527 2.503 20 10 FFCDRN CCOC(=O)[C@@H](NCc1cc(Cl)cc(OC)c1O)[C@@H]1CCCOC1 ZINC000789582021 739370213 /nfs/dbraw/zinc/37/02/13/739370213.db2.gz UBFABPRQAWHWNJ-ABAIWWIYSA-N 0 0 357.834 2.502 20 10 FFCDRN COc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(OC(F)F)c1 ZINC000789816401 739389710 /nfs/dbraw/zinc/38/97/10/739389710.db2.gz OGQHEVFCBCKKQP-UHFFFAOYSA-N 0 0 353.321 2.680 20 10 FFCDRN COc1cccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)n1 ZINC000790107471 739418864 /nfs/dbraw/zinc/41/88/64/739418864.db2.gz HNDXWAVFTJBHMV-GXDHUFHOSA-N 0 0 357.460 2.929 20 10 FFCDRN O=C1[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCCN1Cc1ccccn1 ZINC000790986160 739521538 /nfs/dbraw/zinc/52/15/38/739521538.db2.gz IASPFKZQDJZZKA-HNNXBMFYSA-N 0 0 363.820 2.861 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cnsn1 ZINC000791246274 739540196 /nfs/dbraw/zinc/54/01/96/739540196.db2.gz LJDKKSSBCWOYIU-UHFFFAOYSA-N 0 0 362.455 2.540 20 10 FFCDRN C[C@@H](O)COC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S ZINC000791681126 739591730 /nfs/dbraw/zinc/59/17/30/739591730.db2.gz FUKROSPQAVSMPJ-ZDIKFAODSA-N 0 0 371.505 2.654 20 10 FFCDRN CCN(CCN(Cc1ccccc1)S(C)(=O)=O)c1ccc(OC)cc1 ZINC000792247534 739655005 /nfs/dbraw/zinc/65/50/05/739655005.db2.gz OJYQMJNCDOFKPI-UHFFFAOYSA-N 0 0 362.495 2.983 20 10 FFCDRN CC1(C)C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCOC2)O1 ZINC000793360841 739773365 /nfs/dbraw/zinc/77/33/65/739773365.db2.gz AMIMLJMOQKLSGL-INIZCTEOSA-N 0 0 356.806 2.724 20 10 FFCDRN CC[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCOC2)O1 ZINC000793362545 739773906 /nfs/dbraw/zinc/77/39/06/739773906.db2.gz VQXGDJKCGGRWPP-BBRMVZONSA-N 0 0 356.806 2.724 20 10 FFCDRN COCCOC1CCC(C(=O)NCCCSc2nccs2)CC1 ZINC000793497583 739788866 /nfs/dbraw/zinc/78/88/66/739788866.db2.gz UIQDVLVEIDWDRW-UHFFFAOYSA-N 0 0 358.529 2.963 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](CO)Cc1ccncc1 ZINC000793948440 739829403 /nfs/dbraw/zinc/82/94/03/739829403.db2.gz LCRCVKULJBBATP-MRXNPFEDSA-N 0 0 355.463 2.884 20 10 FFCDRN COc1ccc(CNC(=O)CCOCC(F)(F)C(F)(F)F)c(O)c1 ZINC000794380670 739884861 /nfs/dbraw/zinc/88/48/61/739884861.db2.gz AFUGBRREAZVEIQ-UHFFFAOYSA-N 0 0 357.275 2.621 20 10 FFCDRN COc1ccc(CNC(=O)COc2cccc(Br)c2)c(O)c1 ZINC000794389333 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COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cn2ccccc2n1 ZINC000777829500 1019640639 /nfs/dbraw/zinc/64/06/39/1019640639.db2.gz YZHJOEPYIWPJRZ-UHFFFAOYSA-N 0 0 373.796 2.509 20 10 FFCDRN CC(=O)NCCCC[C@H](N)c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001217722688 1032847486 /nfs/dbraw/zinc/84/74/86/1032847486.db2.gz AMKXDLKCGOUTRN-KRWDZBQOSA-N 0 0 353.426 2.834 20 10 FFCDRN COc1ccc(O)cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000780473055 1019715907 /nfs/dbraw/zinc/71/59/07/1019715907.db2.gz XRWNCKGDHHXFPZ-AWEZNQCLSA-N 0 0 356.422 2.728 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(C(=O)OC)C1 ZINC000802090480 1019738763 /nfs/dbraw/zinc/73/87/63/1019738763.db2.gz QFKDRQKITYDWAW-INIZCTEOSA-N 0 0 363.458 2.935 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1ccnc(N(C)C)n1 ZINC000802281053 1019961843 /nfs/dbraw/zinc/96/18/43/1019961843.db2.gz PEQJTEIDWHRXGT-UHFFFAOYSA-N 0 0 357.458 2.760 20 10 FFCDRN C[C@@H]1CCN2[C@H](C1)C(=O)N[C@@H]2c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000777900818 1020018572 /nfs/dbraw/zinc/01/85/72/1020018572.db2.gz UMLRBWHYEYGTSJ-XWIAVFTESA-N 0 0 358.442 2.814 20 10 FFCDRN Cc1nnnn1-c1ccc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000828862708 1032876270 /nfs/dbraw/zinc/87/62/70/1032876270.db2.gz XQYYRBUCJGZPQF-GFCCVEGCSA-N 0 0 368.416 2.667 20 10 FFCDRN Cc1nnnn1-c1ccc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000828862709 1032876777 /nfs/dbraw/zinc/87/67/77/1032876777.db2.gz XQYYRBUCJGZPQF-LBPRGKRZSA-N 0 0 368.416 2.667 20 10 FFCDRN C[C@@H](NC(=O)c1c2c(ccc1F)OCO2)c1ccc(N2CCOCC2)cc1 ZINC000930745435 1020159578 /nfs/dbraw/zinc/15/95/78/1020159578.db2.gz XSRJPQPPMNCCMR-CYBMUJFWSA-N 0 0 372.396 2.882 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCc2cc(F)ccc21 ZINC000802571372 1020230273 /nfs/dbraw/zinc/23/02/73/1020230273.db2.gz XAVQQIVXPLCIRX-UHFFFAOYSA-N 0 0 356.397 2.859 20 10 FFCDRN C[C@@H]1CN(CCNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CCO1 ZINC000726257729 1020447548 /nfs/dbraw/zinc/44/75/48/1020447548.db2.gz AHGZEFFVROZINJ-GOSISDBHSA-N 0 0 374.529 2.539 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000726561358 1020484906 /nfs/dbraw/zinc/48/49/06/1020484906.db2.gz PWBQYDZTPCLMTO-UHFFFAOYSA-N 0 0 368.433 2.865 20 10 FFCDRN CCN(CCOC)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726718543 1020512914 /nfs/dbraw/zinc/51/29/14/1020512914.db2.gz GFBIDJNXRGDMEP-UHFFFAOYSA-N 0 0 371.428 2.935 20 10 FFCDRN Cc1ccc([C@@H](O)c2cn(Cc3ccc(N4CCOCC4)cc3)nn2)cc1 ZINC000900601360 1020538193 /nfs/dbraw/zinc/53/81/93/1020538193.db2.gz OIDAUFJYOHUSGB-OAQYLSRUSA-N 0 0 364.449 2.553 20 10 FFCDRN O=C(Nc1ccc(F)cc1N1CCOCC1)N1Cc2cccc(O)c2C1 ZINC000931723718 1020563246 /nfs/dbraw/zinc/56/32/46/1020563246.db2.gz VAIDMUGUICJKPL-UHFFFAOYSA-N 0 0 357.385 2.916 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1S[C@@H](C)C(N)=O ZINC000800891777 1020630209 /nfs/dbraw/zinc/63/02/09/1020630209.db2.gz PHGNCSMWVRXVOE-AWEZNQCLSA-N 0 0 371.506 2.957 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NC3(C(F)(F)F)CCOCC3)ccc21 ZINC000932289177 1020766375 /nfs/dbraw/zinc/76/63/75/1020766375.db2.gz 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C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccsc1)c1ccc(N(C)C)cc1 ZINC001119207528 1022614661 /nfs/dbraw/zinc/61/46/61/1022614661.db2.gz SXVKFZUHBIBWQX-AFAVFJNCSA-N 0 0 357.479 2.664 20 10 FFCDRN CC(C)[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)N1CCCC1=O ZINC000751077867 1022754442 /nfs/dbraw/zinc/75/44/42/1022754442.db2.gz TUDYCMNPPGSJRD-HXUWFJFHSA-N 0 0 357.498 2.891 20 10 FFCDRN O=C(NCCCOC[C@H]1CCCO1)c1cc2cc(O)c(O)cc2s1 ZINC001119450558 1022778851 /nfs/dbraw/zinc/77/88/51/1022778851.db2.gz UAUUXKDNFNWUTJ-GFCCVEGCSA-N 0 0 351.424 2.628 20 10 FFCDRN COc1ccc2c(c1O[C@@H]1CNCC(F)(F)C1)C(=O)c1ccccc1C2=O ZINC001218275954 1033080395 /nfs/dbraw/zinc/08/03/95/1033080395.db2.gz PLMMWRSNJOWVDE-NSHDSACASA-N 0 0 373.355 2.847 20 10 FFCDRN Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)c1cccc(O)c1O ZINC000188202845 1023038095 /nfs/dbraw/zinc/03/80/95/1023038095.db2.gz AXGJSPNLVUYXHA-UHFFFAOYSA-N 0 0 368.311 2.951 20 10 FFCDRN COC(C)(C)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000075310813 1023053606 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/nfs/dbraw/zinc/44/21/00/1043442100.db2.gz MROUMSSKYAWIEX-UHFFFAOYSA-N 0 0 353.781 2.574 20 10 FFCDRN CC(C)NC(=O)N1CCC12CN(Cc1c(O)cccc1OC(F)(F)F)C2 ZINC001279680874 1043458271 /nfs/dbraw/zinc/45/82/71/1043458271.db2.gz LOJVEPOVTSUYBL-UHFFFAOYSA-N 0 0 373.375 2.669 20 10 FFCDRN Cc1cc(F)cc(C[NH+]2CCC3(CN(c4cccnc4)C3=O)CC2)c1O ZINC001238061662 1043508333 /nfs/dbraw/zinc/50/83/33/1043508333.db2.gz QAYDXDPYFMMOPI-UHFFFAOYSA-N 0 0 355.413 2.864 20 10 FFCDRN Cc1cnc2n1CCN(C)C21CC[NH+](Cc2cc(F)cc(C)c2O)CC1 ZINC001238061186 1043508995 /nfs/dbraw/zinc/50/89/95/1043508995.db2.gz NQRMBGQOOHKESP-UHFFFAOYSA-N 0 0 358.461 2.781 20 10 FFCDRN COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1cc(F)cc(C)c1O ZINC001238066730 1043512971 /nfs/dbraw/zinc/51/29/71/1043512971.db2.gz OZOKDRYUFJKGEV-HKUYNNGSSA-N 0 0 359.397 2.955 20 10 FFCDRN COc1ccc(N2CCCC3(CN(C(=O)NCC(F)(F)F)C3)C2)cc1 ZINC001279731505 1043545878 /nfs/dbraw/zinc/54/58/78/1043545878.db2.gz IWADIBACUZXYJU-UHFFFAOYSA-N 0 0 357.376 2.869 20 10 FFCDRN O=C([O-])[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000756334153 1043585067 /nfs/dbraw/zinc/58/50/67/1043585067.db2.gz ZESCDMWBTXEQJM-GOSISDBHSA-N 0 0 362.376 2.717 20 10 FFCDRN COc1ccc(N2CC3(CCN3C(=O)Nc3c(C)noc3C)C2)cc1F ZINC001279761106 1043601757 /nfs/dbraw/zinc/60/17/57/1043601757.db2.gz DHMHKRMUTGPNTO-UHFFFAOYSA-N 0 0 360.389 2.936 20 10 FFCDRN COc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)NCC(F)(F)F)cc1F ZINC001279763088 1043606240 /nfs/dbraw/zinc/60/62/40/1043606240.db2.gz VNRSEBHXLNVMQO-TXEJJXNPSA-N 0 0 361.339 2.759 20 10 FFCDRN COc1ccc(N2CCC[C@@]3(CN(C(=O)NC(C)C)CCO3)C2)c(C)c1 ZINC001279767763 1043610913 /nfs/dbraw/zinc/61/09/13/1043610913.db2.gz CEFULVGFMOLXPU-FQEVSTJZSA-N 0 0 361.486 2.793 20 10 FFCDRN CCS(=O)(=O)c1cc(F)ccc1NC(=O)NCc1cc(C)ccc1O ZINC001310494305 1043697640 /nfs/dbraw/zinc/69/76/40/1043697640.db2.gz UUXQPJVQNNPQSX-UHFFFAOYSA-N 0 0 366.414 2.955 20 10 FFCDRN COC(=O)c1cnc(NC(=O)NCc2ccc3c(c2)CCCN3C)cc1C ZINC001311261646 1043859041 /nfs/dbraw/zinc/85/90/41/1043859041.db2.gz MMRKVHRTQQSDDT-UHFFFAOYSA-N 0 0 368.437 2.881 20 10 FFCDRN COCCN(C)C(=O)[C@@H]1CCC[C@]12CC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001280008118 1044079695 /nfs/dbraw/zinc/07/96/95/1044079695.db2.gz KINMOBBMZLYFKI-OXJNMPFZSA-N 0 0 364.461 2.628 20 10 FFCDRN CN(C)c1ccc(CN2CC[C@@H]3C[C@@]32C(=O)NCC(F)F)c(Cl)c1 ZINC001280043215 1044126255 /nfs/dbraw/zinc/12/62/55/1044126255.db2.gz MCERLVAJYJQIEG-PXAZEXFGSA-N 0 0 357.832 2.752 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC001312805919 1044173745 /nfs/dbraw/zinc/17/37/45/1044173745.db2.gz MLFRHXKXUJJHOY-INIZCTEOSA-N 0 0 353.470 2.709 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@]3(C)CCCCO3)CC2)cc1 ZINC001313360194 1044328815 /nfs/dbraw/zinc/32/88/15/1044328815.db2.gz AUDZJDMJVJMGLL-FQEVSTJZSA-N 0 0 361.486 2.876 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1Cc1cnc(C)s1 ZINC001314307085 1044475919 /nfs/dbraw/zinc/47/59/19/1044475919.db2.gz PEIDVSCKAJKJSQ-UHFFFAOYSA-N 0 0 373.482 2.970 20 10 FFCDRN C[C@H](NC(=O)c1ncoc1[C@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC001318629215 1044779573 /nfs/dbraw/zinc/77/95/73/1044779573.db2.gz WNBMRHZVNXOQAP-WMLDXEAASA-N 0 0 371.437 2.854 20 10 FFCDRN O=C(NC[C@@H]1CCOC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001318775698 1044868482 /nfs/dbraw/zinc/86/84/82/1044868482.db2.gz DRBDMHNZZOAZLJ-KBPBESRZSA-N 0 0 369.412 2.593 20 10 FFCDRN Cc1cc(C(=O)N2CCC(OCC(N)=O)CC2)c(C)n1-c1ccccc1C ZINC001318855824 1044910718 /nfs/dbraw/zinc/91/07/18/1044910718.db2.gz GPDFVZLOOZKPJL-UHFFFAOYSA-N 0 0 369.465 2.509 20 10 FFCDRN O=C(N1CC=C(c2ccc(N3CCOCC3)c(F)c2)CC1)C(F)(F)F ZINC001244224175 1045113017 /nfs/dbraw/zinc/11/30/17/1045113017.db2.gz OEPXRLOHGKCFNV-UHFFFAOYSA-N 0 0 358.335 2.840 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccc(N(C)C)nc3)CC2)cc1 ZINC001319397303 1045135609 /nfs/dbraw/zinc/13/56/09/1045135609.db2.gz LJEXQSNTWREWPH-UHFFFAOYSA-N 0 0 354.454 2.509 20 10 FFCDRN CNC(=O)CN(Cc1ccccc1)Cc1ccc(Br)cc1O ZINC001474675560 1045164075 /nfs/dbraw/zinc/16/40/75/1045164075.db2.gz BWROBZAHKSTAGD-UHFFFAOYSA-N 0 0 363.255 2.903 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3noc4c3CCCC4)CC2)cc1 ZINC001319675857 1045236711 /nfs/dbraw/zinc/23/67/11/1045236711.db2.gz PGCFUHPVIAFWNW-UHFFFAOYSA-N 0 0 355.438 2.915 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(CNC(=S)NCC(=O)NC(C)C)cc1 ZINC001318196439 1045239484 /nfs/dbraw/zinc/23/94/84/1045239484.db2.gz VVPHAWZDLCYNIE-UHFFFAOYSA-N 0 0 358.511 2.583 20 10 FFCDRN Cc1nc([C@@H]2CCCCN2Cc2ccc(N3CCN(C)CC3)c(F)c2)no1 ZINC001319716431 1045249954 /nfs/dbraw/zinc/24/99/54/1045249954.db2.gz OVTUVLNOLOJKOW-IBGZPJMESA-N 0 0 373.476 2.996 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cc4c(cn3)OCCC4)CC2)cc1 ZINC001320278237 1045381982 /nfs/dbraw/zinc/38/19/82/1045381982.db2.gz RTFLVSXYFPGSFW-UHFFFAOYSA-N 0 0 367.449 2.768 20 10 FFCDRN CS(=O)(=O)Cc1cccc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001323483536 1045607717 /nfs/dbraw/zinc/60/77/17/1045607717.db2.gz PKWZZMGEBRYFOU-UHFFFAOYSA-N 0 0 365.798 2.673 20 10 FFCDRN C[C@@H](NC(=O)Nc1ccnn1C[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC001321407706 1045654636 /nfs/dbraw/zinc/65/46/36/1045654636.db2.gz AMPBEKBBQGHTDR-CABCVRRESA-N 0 0 357.458 2.868 20 10 FFCDRN CN1CCN(c2ccc(CN3CCC(=O)Nc4ccccc43)cc2F)CC1 ZINC001323979258 1045799300 /nfs/dbraw/zinc/79/93/00/1045799300.db2.gz QMORUMUREVMFRJ-UHFFFAOYSA-N 0 0 368.456 2.926 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCn3c(nnc3C3CCCC3)C2)cc1OC ZINC001323997507 1045810389 /nfs/dbraw/zinc/81/03/89/1045810389.db2.gz ZWIMUAVLRYUTJJ-UHFFFAOYSA-N 0 0 373.413 2.881 20 10 FFCDRN CCOCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC001322157712 1045971981 /nfs/dbraw/zinc/97/19/81/1045971981.db2.gz NLFUWFBWHLRVFM-UHFFFAOYSA-N 0 0 364.423 2.553 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H]2OCCC[C@@H]2C1 ZINC001325306299 1046460761 /nfs/dbraw/zinc/46/07/61/1046460761.db2.gz BTGLTQXVNDFQTK-IEBWSBKVSA-N 0 0 374.481 2.548 20 10 FFCDRN CC(=O)N(C)c1ccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)cn1 ZINC001325342009 1046475300 /nfs/dbraw/zinc/47/53/00/1046475300.db2.gz OJKZDTFJMLTOBO-UHFFFAOYSA-N 0 0 371.460 2.567 20 10 FFCDRN C[C@H](CCNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001284431620 1046537247 /nfs/dbraw/zinc/53/72/47/1046537247.db2.gz SQZZSRWOGYOEBW-XFBWCDHKSA-N 0 0 371.441 2.520 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC(C)=C(C)C1 ZINC001326652749 1047019582 /nfs/dbraw/zinc/01/95/82/1047019582.db2.gz CUTWUDGKXFLZNZ-HOTGVXAUSA-N 0 0 361.438 2.825 20 10 FFCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccnc(O[C@@H]2CCOC2)c1 ZINC001326699365 1047042386 /nfs/dbraw/zinc/04/23/86/1047042386.db2.gz XVQNYNATSHIKCK-SNVBAGLBSA-N 0 0 360.757 2.691 20 10 FFCDRN CN1CCN(c2ccc(CN3Cc4ccccc4NC(=O)C3)cc2F)CC1 ZINC001326891001 1047123683 /nfs/dbraw/zinc/12/36/83/1047123683.db2.gz KKOIYYUEZBYEQU-UHFFFAOYSA-N 0 0 368.456 2.532 20 10 FFCDRN CCc1n[nH]c(C(=O)N(C)Cc2ccc(N(CC)CC)cc2)c1[N+](=O)[O-] ZINC000731664987 1047329604 /nfs/dbraw/zinc/32/96/04/1047329604.db2.gz GBLKGFHZOBJCEA-UHFFFAOYSA-N 0 0 359.430 2.999 20 10 FFCDRN Cc1cc(C(=O)CN2CCS(=O)CC2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000732201139 1047400128 /nfs/dbraw/zinc/40/01/28/1047400128.db2.gz LFLHKYBRBKCUKY-UHFFFAOYSA-N 0 0 370.518 2.830 20 10 FFCDRN CC[C@H](C)N(Cc1ccccc1)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC001331512007 1047979112 /nfs/dbraw/zinc/97/91/12/1047979112.db2.gz BJAXZLHKCQFMKD-INIZCTEOSA-N 0 0 353.466 2.755 20 10 FFCDRN Cn1cccc1C(=O)N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001327766244 1048032452 /nfs/dbraw/zinc/03/24/52/1048032452.db2.gz LHEFUVMXKGPHDY-UHFFFAOYSA-N 0 0 352.482 2.583 20 10 FFCDRN Cn1ccnc1[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001290385999 1048076909 /nfs/dbraw/zinc/07/69/09/1048076909.db2.gz KWEYTGCRWMDTOX-GOSISDBHSA-N 0 0 371.824 2.933 20 10 FFCDRN CN(CCO)c1ccc(NCc2c(O)cccc2Br)nc1 ZINC001331871698 1048147402 /nfs/dbraw/zinc/14/74/02/1048147402.db2.gz FCVIKTDTFSFDAT-UHFFFAOYSA-N 0 0 352.232 2.590 20 10 FFCDRN Nc1ccoc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC001328593169 1048371967 /nfs/dbraw/zinc/37/19/67/1048371967.db2.gz DBSBSWHXZXTUGD-UHFFFAOYSA-N 0 0 369.343 2.647 20 10 FFCDRN Cn1nc(C2CC2)cc1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC001328658929 1048406892 /nfs/dbraw/zinc/40/68/92/1048406892.db2.gz BYTYNRHESXKKDH-UHFFFAOYSA-N 0 0 360.801 2.625 20 10 FFCDRN Cc1cc(CNC(=O)NCCc2cnn(C)c2)c(C)n1-c1ccccc1 ZINC001332480726 1048414436 /nfs/dbraw/zinc/41/44/36/1048414436.db2.gz CHCKOQMQVHLRDY-UHFFFAOYSA-N 0 0 351.454 2.870 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCCc1c(F)cccc1Cl ZINC001328770071 1048459639 /nfs/dbraw/zinc/45/96/39/1048459639.db2.gz GVPHYCVBRBZRLY-UHFFFAOYSA-N 0 0 364.804 2.502 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCN(C(=O)c3ccccc3)C2)cc1 ZINC001328773304 1048460751 /nfs/dbraw/zinc/46/07/51/1048460751.db2.gz YYAMUGRKPDCHPC-GOSISDBHSA-N 0 0 351.450 2.531 20 10 FFCDRN C[C@@H]1CC(F)(F)CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001332649518 1048489286 /nfs/dbraw/zinc/48/92/86/1048489286.db2.gz HVTPGDZSOYYQSN-CQSZACIVSA-N 0 0 353.413 2.852 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2C[C@@H](O)C3(CC3)C2)ccc1C ZINC001328937256 1048526623 /nfs/dbraw/zinc/52/66/23/1048526623.db2.gz PIDMPVSIWZBPRP-LJQANCHMSA-N 0 0 352.434 2.812 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N[C@H](c1ccccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC001332949010 1048638983 /nfs/dbraw/zinc/63/89/83/1048638983.db2.gz RYRHLISTARJNFU-KUHUBIRLSA-N 0 0 366.465 2.592 20 10 FFCDRN Cc1ccc(C[C@H]2CCC[N@@H+]2Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000738271443 1048676545 /nfs/dbraw/zinc/67/65/45/1048676545.db2.gz XZZMJJIINUYDQF-MRXNPFEDSA-N 0 0 366.421 2.649 20 10 FFCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCNC(=O)C(C)C ZINC001291445632 1048676642 /nfs/dbraw/zinc/67/66/42/1048676642.db2.gz QJTWNMKSQZNBII-OAHLLOKOSA-N 0 0 373.501 2.906 20 10 FFCDRN COc1ccc(NCc2ccc(N3CCCC3)cc2)cc1S(N)(=O)=O ZINC001333126550 1048723106 /nfs/dbraw/zinc/72/31/06/1048723106.db2.gz CYMVIOHKZRXAPO-UHFFFAOYSA-N 0 0 361.467 2.555 20 10 FFCDRN CO[C@H](C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C)[C@H]1CCOC1 ZINC001333252984 1048784910 /nfs/dbraw/zinc/78/49/10/1048784910.db2.gz ZRBQESROCYCGBR-JXFKEZNVSA-N 0 0 371.433 2.872 20 10 FFCDRN 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/nfs/dbraw/zinc/25/74/52/510257452.db2.gz WAJPJAQQPMBZRX-UHFFFAOYSA-N 0 0 353.470 2.821 20 10 FFCDRN CCS(=O)(=O)CCCCCN1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000190670962 510275294 /nfs/dbraw/zinc/27/52/94/510275294.db2.gz MRDWYZYSZMLAPM-UHFFFAOYSA-N 0 0 372.506 2.561 20 10 FFCDRN CC(C)(C(=O)NCCc1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 ZINC000269181867 510277836 /nfs/dbraw/zinc/27/78/36/510277836.db2.gz IDZCZOFMDGOCMA-UHFFFAOYSA-N 0 0 357.406 2.506 20 10 FFCDRN Cc1ncsc1CN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000171688174 510307593 /nfs/dbraw/zinc/30/75/93/510307593.db2.gz HBHRWQHZDFISOL-VMPITWQZSA-N 0 0 357.479 2.960 20 10 FFCDRN Cc1ccn(CC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(=O)c1 ZINC000194376382 510334340 /nfs/dbraw/zinc/33/43/40/510334340.db2.gz KLDLHZHBISIAHR-UHFFFAOYSA-N 0 0 353.466 2.806 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000171753662 510348875 /nfs/dbraw/zinc/34/88/75/510348875.db2.gz DYAWQAKAUFGHIY-WOJBJXKFSA-N 0 0 351.450 2.744 20 10 FFCDRN COc1ccc(NC(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000266012412 510358384 /nfs/dbraw/zinc/35/83/84/510358384.db2.gz SOCMOMJBNQCZJM-UHFFFAOYSA-N 0 0 360.410 2.796 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)OC(C)=O ZINC000187639525 510366575 /nfs/dbraw/zinc/36/65/75/510366575.db2.gz RTRLQDKPPLKDLK-UHFFFAOYSA-N 0 0 358.232 2.845 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCO3)cc2F)C[C@@H](C)O1 ZINC000269371923 510368058 /nfs/dbraw/zinc/36/80/58/510368058.db2.gz YQAUIWURMDUBFP-LBTNJELSSA-N 0 0 350.434 2.625 20 10 FFCDRN COc1cc(N(C)C[C@@H](O)COc2ccccc2F)cc(OC)c1OC ZINC000266053692 510381710 /nfs/dbraw/zinc/38/17/10/510381710.db2.gz ZQQZYUVMCQENGZ-CQSZACIVSA-N 0 0 365.401 2.728 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCOC3(CCSCC3)C2)cc1 ZINC000269403307 510388251 /nfs/dbraw/zinc/38/82/51/510388251.db2.gz ZOJFDIADSJJNFA-MRXNPFEDSA-N 0 0 363.527 2.997 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)nc(C(F)(F)F)n1 ZINC000187717884 510400037 /nfs/dbraw/zinc/40/00/37/510400037.db2.gz AZDPOJFGFKUYFZ-MRVPVSSYSA-N 0 0 355.316 2.576 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccnc1Cl ZINC000181468827 510427500 /nfs/dbraw/zinc/42/75/00/510427500.db2.gz IBBUYIPJSGADHO-UHFFFAOYSA-N 0 0 358.829 2.590 20 10 FFCDRN Cc1cc2c(ncnc2N2CCC[C@@H]2C(=O)NCc2ccccc2O)s1 ZINC000269526896 510447278 /nfs/dbraw/zinc/44/72/78/510447278.db2.gz MCYOWUFWWUCMOF-OAHLLOKOSA-N 0 0 368.462 2.991 20 10 FFCDRN CCc1ncsc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000269574951 510467934 /nfs/dbraw/zinc/46/79/34/510467934.db2.gz ICUXOBVIEDBWPX-UHFFFAOYSA-N 0 0 372.494 2.901 20 10 FFCDRN COCCCn1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000266373248 510547718 /nfs/dbraw/zinc/54/77/18/510547718.db2.gz FIIVJTZMQFSANQ-UHFFFAOYSA-N 0 0 358.442 2.826 20 10 FFCDRN COc1cc(Cl)cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000184946516 510597955 /nfs/dbraw/zinc/59/79/55/510597955.db2.gz FIOJNFIXIPQXAO-HNNXBMFYSA-N 0 0 369.870 2.930 20 10 FFCDRN Nc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc(Cl)n1 ZINC000172229638 510610651 /nfs/dbraw/zinc/61/06/51/510610651.db2.gz XPJJVXFODFPIBI-AWEZNQCLSA-N 0 0 361.829 2.844 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccn3C)cc2F)C[C@H](C)O1 ZINC000266483180 510615692 /nfs/dbraw/zinc/61/56/92/510615692.db2.gz DHUDGPPIUUACNE-GASCZTMLSA-N 0 0 374.460 2.777 20 10 FFCDRN Cc1cc(C(=O)N2CCC(Cn3cncn3)CC2)c(C)n1-c1ccccn1 ZINC000188166908 510628398 /nfs/dbraw/zinc/62/83/98/510628398.db2.gz ALTLQPSSFKHKCQ-UHFFFAOYSA-N 0 0 364.453 2.633 20 10 FFCDRN COCC(C)(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000269999261 510635067 /nfs/dbraw/zinc/63/50/67/510635067.db2.gz AKGGTHIKTFCVJS-KBPBESRZSA-N 0 0 352.450 2.728 20 10 FFCDRN COc1ccc(N2CCN(Cc3cc(-c4cnn(C)c4)no3)CC2)cc1F ZINC000185021756 510639564 /nfs/dbraw/zinc/63/95/64/510639564.db2.gz XURAXYJAMITLCX-UHFFFAOYSA-N 0 0 371.416 2.545 20 10 FFCDRN O=C(NCC[C@H](O)c1ccccc1)NCc1ccc(N2CC=CC2)cc1 ZINC000266548454 510651002 /nfs/dbraw/zinc/65/10/02/510651002.db2.gz RSYCRPGLUQCNOY-FQEVSTJZSA-N 0 0 351.450 2.986 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000185110597 510690295 /nfs/dbraw/zinc/69/02/95/510690295.db2.gz MYQVXFJJOXIKQX-GFCCVEGCSA-N 0 0 352.431 2.632 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCS3)cc2F)C[C@@H](C)O1 ZINC000266631788 510698667 /nfs/dbraw/zinc/69/86/67/510698667.db2.gz WYNCMARCYKJZCK-PBFPGSCMSA-N 0 0 352.475 2.951 20 10 FFCDRN CCN(Cc1csc(CS(C)(=O)=O)n1)c1ccc(OC)c(OC)c1 ZINC000266704776 510739782 /nfs/dbraw/zinc/73/97/82/510739782.db2.gz YRIXHNUKYCOXAT-UHFFFAOYSA-N 0 0 370.496 2.731 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000178729371 510741009 /nfs/dbraw/zinc/74/10/09/510741009.db2.gz ORIRMVHEXYUMBP-GOSISDBHSA-N 0 0 365.481 2.760 20 10 FFCDRN Cc1cc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c(F)cc1F ZINC000175771850 510783953 /nfs/dbraw/zinc/78/39/53/510783953.db2.gz VEPXPRGGDUQPNF-UHFFFAOYSA-N 0 0 368.405 2.927 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C3SCCS3)cc2F)C[C@H](C)O1 ZINC000270511223 510891770 /nfs/dbraw/zinc/89/17/70/510891770.db2.gz RCQVZWZSFCSFOQ-TXEJJXNPSA-N 0 0 370.515 2.862 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC000364489211 510894121 /nfs/dbraw/zinc/89/41/21/510894121.db2.gz FJZLYKKAFMLFPB-KRWDZBQOSA-N 0 0 367.449 2.575 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccc(N)cc3)C2)cc1 ZINC000297307263 510895757 /nfs/dbraw/zinc/89/57/57/510895757.db2.gz VXPRTGSMULKOGQ-GOSISDBHSA-N 0 0 351.450 2.746 20 10 FFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3c(F)cccc3F)c2)CC1 ZINC000275461758 510900816 /nfs/dbraw/zinc/90/08/16/510900816.db2.gz DJKSOGRYSZAJPB-UHFFFAOYSA-N 0 0 359.376 2.886 20 10 FFCDRN COc1ccc(C[C@@H](CO)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1O ZINC000293964741 510913731 /nfs/dbraw/zinc/91/37/31/510913731.db2.gz QEGZOIOQTFISGL-GFCCVEGCSA-N 0 0 369.820 2.840 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@](O)(C(F)(F)F)CC2)cc1 ZINC000285456027 510914144 /nfs/dbraw/zinc/91/41/44/510914144.db2.gz AHEBHNRHCUQXCG-INIZCTEOSA-N 0 0 359.392 2.742 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])c(C)n3)cc2)CC1 ZINC000276298264 510931562 /nfs/dbraw/zinc/93/15/62/510931562.db2.gz LALXTEHCWOVGIV-UHFFFAOYSA-N 0 0 369.425 2.579 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ncnc4ccccc43)cc2)CC1 ZINC000276290610 510931954 /nfs/dbraw/zinc/93/19/54/510931954.db2.gz JUCYQVYCSXAKMJ-UHFFFAOYSA-N 0 0 361.449 2.910 20 10 FFCDRN Cc1cc(C)c(NC(=O)CN(C)C(=O)c2c(F)ccc(O)c2O)c(C)c1 ZINC000276522696 510940445 /nfs/dbraw/zinc/94/04/45/510940445.db2.gz CVFLNGHAFRXZBF-UHFFFAOYSA-N 0 0 360.385 2.873 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc3nnc(C(C)C)n3c2)c1O ZINC000276586789 510942979 /nfs/dbraw/zinc/94/29/79/510942979.db2.gz VQINDKKADLFVGY-UHFFFAOYSA-N 0 0 355.398 2.889 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCOCC(F)F)cc1 ZINC000276649641 510944199 /nfs/dbraw/zinc/94/41/99/510944199.db2.gz UYSPDKWNRHGYGD-KRWDZBQOSA-N 0 0 370.440 2.932 20 10 FFCDRN O=C(NCc1ccc(=O)[nH]n1)N(Cc1ccccc1O)C1CCCCC1 ZINC000297447281 510948316 /nfs/dbraw/zinc/94/83/16/510948316.db2.gz BJDXDADVAQQLCM-UHFFFAOYSA-N 0 0 356.426 2.520 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276998712 510952042 /nfs/dbraw/zinc/95/20/42/510952042.db2.gz YXIZGGINQUBULF-BLLLJJGKSA-N 0 0 361.392 2.907 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CC12CCS(=O)(=O)CC2 ZINC000282383567 510954886 /nfs/dbraw/zinc/95/48/86/510954886.db2.gz CXSRASXZSBHTFF-MRXNPFEDSA-N 0 0 365.495 2.736 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCc1ccccn1 ZINC000277319291 510960074 /nfs/dbraw/zinc/96/00/74/510960074.db2.gz MDOKAFFNGYICSF-UHFFFAOYSA-N 0 0 359.813 2.838 20 10 FFCDRN C[C@H]1C[C@@H](CNC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000277390101 510961419 /nfs/dbraw/zinc/96/14/19/510961419.db2.gz IZHOCZKMIYQNFY-QWRGUYRKSA-N 0 0 357.248 2.769 20 10 FFCDRN O=[N+]([O-])c1ccc2[nH]c(NCc3ccc(N4CCOCC4)cc3)nc2c1 ZINC000277484687 510963719 /nfs/dbraw/zinc/96/37/19/510963719.db2.gz CTCFTUVGDIVDMQ-UHFFFAOYSA-N 0 0 353.382 2.920 20 10 FFCDRN COc1ccc(N(Cc2nnnn2CC2CCOCC2)[C@@H](C)C2CC2)cc1 ZINC000277751327 510971937 /nfs/dbraw/zinc/97/19/37/510971937.db2.gz POLRTUZRXJCKOL-HNNXBMFYSA-N 0 0 371.485 2.913 20 10 FFCDRN COc1ccc(N(Cc2nnnn2CC2CCOCC2)C(C)C)cc1F ZINC000277822794 510973460 /nfs/dbraw/zinc/97/34/60/510973460.db2.gz VRZWIOSWGCLEKL-UHFFFAOYSA-N 0 0 363.437 2.662 20 10 FFCDRN C[C@@H]1CC(=O)N[C@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)C1 ZINC000294164073 510976571 /nfs/dbraw/zinc/97/65/71/510976571.db2.gz RQMSJJWCTJYIJG-KXBFYZLASA-N 0 0 369.465 2.789 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)cc1F ZINC000277967220 510977223 /nfs/dbraw/zinc/97/72/23/510977223.db2.gz ADGLSXIWSTZZHV-AWEZNQCLSA-N 0 0 373.354 2.728 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3noc(C4CCCC4)n3)CC2)cc1 ZINC000278048290 510980486 /nfs/dbraw/zinc/98/04/86/510980486.db2.gz LDQBCPNHZMYJMF-UHFFFAOYSA-N 0 0 370.453 2.627 20 10 FFCDRN COCC1(O)CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000270781220 510982964 /nfs/dbraw/zinc/98/29/64/510982964.db2.gz RFJXTDFYJGYABA-UHFFFAOYSA-N 0 0 360.429 2.847 20 10 FFCDRN C[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N(C)CC(F)(F)F ZINC000278368430 510990877 /nfs/dbraw/zinc/99/08/77/510990877.db2.gz MDQBJNCTHLCEGY-ZFWWWQNUSA-N 0 0 374.403 2.782 20 10 FFCDRN COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1O)c1cc(C)cc(C)c1 ZINC000278403252 510992723 /nfs/dbraw/zinc/99/27/23/510992723.db2.gz OMJRIPIQSMYGNJ-INIZCTEOSA-N 0 0 374.393 2.930 20 10 FFCDRN CCc1ccc([C@@H](COC)NCc2ccc([N+](=O)[O-])c(OC)c2O)o1 ZINC000278518641 510996145 /nfs/dbraw/zinc/99/61/45/510996145.db2.gz RLWQHRXGGCKAIZ-CYBMUJFWSA-N 0 0 350.371 2.942 20 10 FFCDRN COc1cc(O)c(CNc2ccc3c(c2)N(C(N)=O)CCC3)cc1OC ZINC000278651776 511002808 /nfs/dbraw/zinc/00/28/08/511002808.db2.gz MCWYIZRYEIWYQF-UHFFFAOYSA-N 0 0 357.410 2.853 20 10 FFCDRN COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000278750717 511006158 /nfs/dbraw/zinc/00/61/58/511006158.db2.gz SDXWIMXZGJCXSU-RISCZKNCSA-N 0 0 364.269 2.545 20 10 FFCDRN COc1cc(N(C)Cc2c(Br)cnn2C)cc(OC)c1OC ZINC000278830796 511009506 /nfs/dbraw/zinc/00/95/06/511009506.db2.gz YRNBAFDPQZTFER-UHFFFAOYSA-N 0 0 370.247 2.845 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)ccc1[N+](=O)[O-] ZINC000278935199 511014315 /nfs/dbraw/zinc/01/43/15/511014315.db2.gz WWWBBSHSKALGJF-INIZCTEOSA-N 0 0 363.389 2.841 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](COC)c1ccccc1 ZINC000285971862 511016686 /nfs/dbraw/zinc/01/66/86/511016686.db2.gz RNONMQYBXRBKBJ-SFHVURJKSA-N 0 0 370.449 2.635 20 10 FFCDRN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000286009807 511017480 /nfs/dbraw/zinc/01/74/80/511017480.db2.gz JFKXREHRXLYXJL-GFCCVEGCSA-N 0 0 363.435 2.691 20 10 FFCDRN O=C(NC1CCCCC1)OC[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000286444031 511025666 /nfs/dbraw/zinc/02/56/66/511025666.db2.gz HCJBOUFYVRZFOG-AWEZNQCLSA-N 0 0 362.426 2.761 20 10 FFCDRN CO[C@H](C)CN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000286808653 511032532 /nfs/dbraw/zinc/03/25/32/511032532.db2.gz ZJSDRPBALRTUOO-KFWWJZLASA-N 0 0 367.465 2.616 20 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[O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000293821003 512091579 /nfs/dbraw/zinc/09/15/79/512091579.db2.gz DFKXQVDGOIGRPN-UHFFFAOYSA-N 0 0 351.809 2.706 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC[C@@]2(C)OCCc3sccc32)c1 ZINC000378113483 512597043 /nfs/dbraw/zinc/59/70/43/512597043.db2.gz QIPLVJDRYUHAGV-GOSISDBHSA-N 0 0 362.451 2.750 20 10 FFCDRN CC(=O)N1CC[C@](C)(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000369974146 512707324 /nfs/dbraw/zinc/70/73/24/512707324.db2.gz CSNZTLYANJOWNP-NRFANRHFSA-N 0 0 357.498 2.798 20 10 FFCDRN COc1ccccc1[C@@H](NC(=O)c1ccc(C)c(O)c1O)c1noc(C)n1 ZINC000367961349 512742553 /nfs/dbraw/zinc/74/25/53/512742553.db2.gz DFPBLJMNKLZDHC-OAHLLOKOSA-N 0 0 369.377 2.626 20 10 FFCDRN COc1ccc(C)cc1NC(=O)[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000376555969 512871212 /nfs/dbraw/zinc/87/12/12/512871212.db2.gz KOYNCTRVXKEYMJ-OAHLLOKOSA-N 0 0 370.405 2.658 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCOC2(CCOCC2)CC1 ZINC000368649285 513040993 /nfs/dbraw/zinc/04/09/93/513040993.db2.gz BWEYZRZMAILPPN-UHFFFAOYSA-N 0 0 371.481 2.544 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN[C@H](c2ccccc2Cl)C1 ZINC000374869390 513047141 /nfs/dbraw/zinc/04/71/41/513047141.db2.gz RIPMNJNVOPXCEE-BVBGJJFLSA-N 0 0 358.825 2.938 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000376967696 513070666 /nfs/dbraw/zinc/07/06/66/513070666.db2.gz MVUXKRFHLPVHFV-QRWLVFNGSA-N 0 0 360.454 2.998 20 10 FFCDRN COc1ccc2onc(CC(=O)N3CCOc4cc(N(C)C)ccc43)c2c1 ZINC000415240150 513166737 /nfs/dbraw/zinc/16/67/37/513166737.db2.gz IYQMBMFDPDHZRZ-UHFFFAOYSA-N 0 0 367.405 2.871 20 10 FFCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cnc(C2CC2)nc1 ZINC000414065105 513960365 /nfs/dbraw/zinc/96/03/65/513960365.db2.gz GNHLQUXGDXGAKX-QPEQYQDCSA-N 0 0 361.361 2.916 20 10 FFCDRN Cc1nc(-c2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2)n[nH]1 ZINC000470537375 514518264 /nfs/dbraw/zinc/51/82/64/514518264.db2.gz OAAKXQBBICFKPC-UHFFFAOYSA-N 0 0 363.421 2.885 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(S(C)(=O)=O)cs1 ZINC000471240886 514810619 /nfs/dbraw/zinc/81/06/19/514810619.db2.gz CNDJDXJNJLQGAT-UHFFFAOYSA-N 0 0 362.476 2.882 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](c1ccccc1)n1cccn1 ZINC000475942204 514862471 /nfs/dbraw/zinc/86/24/71/514862471.db2.gz WNPHBFVQTXZUEX-HXUWFJFHSA-N 0 0 362.433 2.964 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](CO)Cc1ccccc1 ZINC000472219708 515174180 /nfs/dbraw/zinc/17/41/80/515174180.db2.gz HGPKCEANTZKONQ-QGZVFWFLSA-N 0 0 351.450 2.890 20 10 FFCDRN CC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)[C@@H](O)C(F)(F)F ZINC000472236427 515181148 /nfs/dbraw/zinc/18/11/48/515181148.db2.gz DTNHOFLKHPVHTP-SWLSCSKDSA-N 0 0 357.376 2.988 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[C@H]1OC ZINC000460490961 516167331 /nfs/dbraw/zinc/16/73/31/516167331.db2.gz MSMPLLWSVQYFFP-MISYRCLQSA-N 0 0 374.481 2.827 20 10 FFCDRN CCOCc1nc([C@@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)no1 ZINC000460674766 516219760 /nfs/dbraw/zinc/21/97/60/516219760.db2.gz FVEXUCLGGKZUDV-CYBMUJFWSA-N 0 0 371.441 2.967 20 10 FFCDRN COC(=O)c1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000542923137 517818509 /nfs/dbraw/zinc/81/85/09/517818509.db2.gz AKNZCOQWEZAACX-UHFFFAOYSA-N 0 0 355.394 2.970 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@@]1(CO)COc2ccccc2C1 ZINC000527770322 517903193 /nfs/dbraw/zinc/90/31/93/517903193.db2.gz UQRKWYWLTIVHDA-KRWDZBQOSA-N 0 0 364.239 2.611 20 10 FFCDRN CC(C)(C[NH2+]Cc1cccc(Br)c1[O-])C(=O)N1CCCC1 ZINC000527808125 517926056 /nfs/dbraw/zinc/92/60/56/517926056.db2.gz GWKXNWNBAMKWTO-UHFFFAOYSA-N 0 0 355.276 2.893 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000528282738 518163507 /nfs/dbraw/zinc/16/35/07/518163507.db2.gz RONKZWBGGAMDFM-RZGXBDKHSA-N 0 0 357.248 2.766 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)[C@@](C)(CO)C3)ccc21 ZINC000620453156 522242976 /nfs/dbraw/zinc/24/29/76/522242976.db2.gz RJXJSJOLFSITKC-LHSJRXKWSA-N 0 0 358.482 2.995 20 10 FFCDRN Cc1cn(C2CCOCC2)nc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000631560167 523693989 /nfs/dbraw/zinc/69/39/89/523693989.db2.gz SKPUHOMCOHQZTG-UHFFFAOYSA-N 0 0 370.453 2.648 20 10 FFCDRN CN(C)c1ccc(CNc2c(-c3nn[nH]n3)cnc3ccccc32)cc1F ZINC000821589240 599503180 /nfs/dbraw/zinc/50/31/80/599503180.db2.gz DVJDTYWEZJXMKW-UHFFFAOYSA-N 0 0 363.400 2.654 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H]3CCC[C@@H]32)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737233349 599574240 /nfs/dbraw/zinc/57/42/40/599574240.db2.gz DQVFXRIZWSEGEX-YJBOKZPZSA-N 0 0 362.437 2.899 20 10 FFCDRN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000834107758 605467692 /nfs/dbraw/zinc/46/76/92/605467692.db2.gz OCVPCPCKIYMJKO-AZUAARDMSA-N 0 0 373.497 2.878 20 10 FFCDRN C[C@@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824767391 605490915 /nfs/dbraw/zinc/49/09/15/605490915.db2.gz HYBGTVRISRTIEG-HOCLYGCPSA-N 0 0 365.449 2.673 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000833874579 605547490 /nfs/dbraw/zinc/54/74/90/605547490.db2.gz RRTSZOBVWWGQDG-DFNIBXOVSA-N 0 0 359.470 2.628 20 10 FFCDRN O=C([O-])N1CC[C@@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000834077366 605559447 /nfs/dbraw/zinc/55/94/47/605559447.db2.gz HOLNRRYQMFOTLR-HNNXBMFYSA-N 0 0 362.430 2.675 20 10 FFCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)s2)SC(=S)N1c1cccnc1 ZINC000823504478 606389625 /nfs/dbraw/zinc/38/96/25/606389625.db2.gz QQIPVWJVWCNTGK-IZZDOVSWSA-N 0 0 372.460 2.729 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[nH]n2)s1 ZINC000823253447 606538726 /nfs/dbraw/zinc/53/87/26/606538726.db2.gz INGJPMBNASVEML-UHFFFAOYSA-N 0 0 368.466 2.849 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1Cl ZINC000821828563 606882204 /nfs/dbraw/zinc/88/22/04/606882204.db2.gz YAQIKMAIMSXXTC-UHFFFAOYSA-N 0 0 372.816 2.604 20 10 FFCDRN CC(C)(C)c1cnc(S[C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000819966204 607120083 /nfs/dbraw/zinc/12/00/83/607120083.db2.gz YOFQQXAEFLPKDR-LBPRGKRZSA-N 0 0 374.495 2.939 20 10 FFCDRN COc1ccc2c(c1)CCCCN2C[C@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826212809 608259424 /nfs/dbraw/zinc/25/94/24/608259424.db2.gz BTDRXZPOBCLUQG-IBGZPJMESA-N 0 0 365.437 2.752 20 10 FFCDRN COc1ccc(N2CCC(Nc3nc(-c4nn[nH]n4)ccc3C)CC2)cc1 ZINC000826209110 608544373 /nfs/dbraw/zinc/54/43/73/608544373.db2.gz NCAOBPSOCNGSGV-UHFFFAOYSA-N 0 0 365.441 2.660 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)[C@@H](CO)SC)c2C)cc1 ZINC000152385621 728757188 /nfs/dbraw/zinc/75/71/88/728757188.db2.gz UAZXSLHZDLJFOT-FZKQIMNGSA-N 0 0 362.495 2.945 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000154202448 728798464 /nfs/dbraw/zinc/79/84/64/728798464.db2.gz SWDRTTHMKYEBPZ-QFBILLFUSA-N 0 0 361.511 2.555 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@H](CO)c1ccccc1 ZINC000154645765 728808820 /nfs/dbraw/zinc/80/88/20/728808820.db2.gz IWVYSONSKUNRRT-AWEZNQCLSA-N 0 0 351.497 2.701 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)C3CCOCC3)CC2)cc1F ZINC000155749178 728835280 /nfs/dbraw/zinc/83/52/80/728835280.db2.gz JRHNLPMEGZWAPR-AWEZNQCLSA-N 0 0 350.434 2.546 20 10 FFCDRN Cc1noc(Cl)c1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000159299835 728904029 /nfs/dbraw/zinc/90/40/29/728904029.db2.gz DKMONMOOXGYBMN-UHFFFAOYSA-N 0 0 363.845 2.674 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159837102 728912944 /nfs/dbraw/zinc/91/29/44/728912944.db2.gz XXSRNYNZFLZVBX-XQQFMLRXSA-N 0 0 353.513 2.882 20 10 FFCDRN CC1(C)C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000162216516 728941037 /nfs/dbraw/zinc/94/10/37/728941037.db2.gz XGBBVHLMWVBEPE-INIZCTEOSA-N 0 0 363.527 2.997 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)S1 ZINC000743553123 735305581 /nfs/dbraw/zinc/30/55/81/735305581.db2.gz CYOXKSOTNAAHGE-KBPBESRZSA-N 0 0 367.490 2.698 20 10 FFCDRN O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc(Cl)c(F)cc3[O-])C2)c1Cl ZINC000898367982 735348470 /nfs/dbraw/zinc/34/84/70/735348470.db2.gz IGYZSUFLNUERPS-SECBINFHSA-N 0 0 373.215 2.702 20 10 FFCDRN Cc1ccc(C(=O)OC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000744909181 735385114 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Cc1noc(C)c1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000067761254 728183991 /nfs/dbraw/zinc/18/39/91/728183991.db2.gz UIDVQMQAVQJFSK-UHFFFAOYSA-N 0 0 360.483 2.844 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CCCN3c3nccs3)ccc21 ZINC000069960343 728202890 /nfs/dbraw/zinc/20/28/90/728202890.db2.gz KYMIUHKIHXBWNN-KRWDZBQOSA-N 0 0 356.495 2.811 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2nc(C)cs2)cc1 ZINC000746783587 735509865 /nfs/dbraw/zinc/50/98/65/735509865.db2.gz NTERTDCGDYKOBV-UHFFFAOYSA-N 0 0 360.483 2.895 20 10 FFCDRN CSCC[C@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000077997619 728290879 /nfs/dbraw/zinc/29/08/79/728290879.db2.gz DSWLQLKOARLFNZ-ZDUSSCGKSA-N 0 0 369.506 2.728 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCS(=O)(=O)C2CCCC2)cc1 ZINC000079390909 728312435 /nfs/dbraw/zinc/31/24/35/728312435.db2.gz UMJNZBGRCCTEPC-UHFFFAOYSA-N 0 0 366.527 2.897 20 10 FFCDRN COCCN(CC(=O)N1CCCC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000083212452 728411257 /nfs/dbraw/zinc/41/12/57/728411257.db2.gz NDLFOUHDNQQIEW-HNNXBMFYSA-N 0 0 350.459 2.558 20 10 FFCDRN C[C@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000092228135 728465365 /nfs/dbraw/zinc/46/53/65/728465365.db2.gz PEEZDPTUVCGZQO-FZMZJTMJSA-N 0 0 354.472 2.708 20 10 FFCDRN CCCC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCC1 ZINC000092433828 728467332 /nfs/dbraw/zinc/46/73/32/728467332.db2.gz WHDLITMPTQQOQZ-OAHLLOKOSA-N 0 0 354.472 2.852 20 10 FFCDRN COC(=O)CC[N@H+](Cc1cccc(Br)c1[O-])C1CCOCC1 ZINC000093734746 728477484 /nfs/dbraw/zinc/47/74/84/728477484.db2.gz PPJAMJBYRDBJKP-UHFFFAOYSA-N 0 0 372.259 2.699 20 10 FFCDRN CCCC[C@@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094102673 728479498 /nfs/dbraw/zinc/47/94/98/728479498.db2.gz CRYLOZQKXUQAOF-DOMZBBRYSA-N 0 0 354.472 2.852 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(Cl)ccn1 ZINC000098094067 728484437 /nfs/dbraw/zinc/48/44/37/728484437.db2.gz HJOWICCBZSUWKR-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN COC(=O)CN(CC(=O)N(C(C)C)C(C)C)Cc1cc(Cl)ccc1O ZINC000109779939 728529036 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O=C(NCC[C@H]1CCSC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000868116785 731260424 /nfs/dbraw/zinc/26/04/24/731260424.db2.gz NHTQLMQPGJXHET-AWEZNQCLSA-N 0 0 367.490 2.605 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000868306742 731279843 /nfs/dbraw/zinc/27/98/43/731279843.db2.gz AFGBTIHQLGBTQC-UONOGXRCSA-N 0 0 354.244 2.834 20 10 FFCDRN COc1ccc(/C=C2/SC(=S)N(CCc3cccnc3)C2=O)cn1 ZINC000780143478 738521949 /nfs/dbraw/zinc/52/19/49/738521949.db2.gz NXBWCJYPSFWWJD-NTEUORMPSA-N 0 0 357.460 2.929 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3nc(C)sc3C)CC2)c(OC)c1 ZINC000870165300 731477806 /nfs/dbraw/zinc/47/78/06/731477806.db2.gz TVMSALPANRQXJU-UHFFFAOYSA-N 0 0 361.467 2.740 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3(C(F)(F)F)CC3)CC2)c(OC)c1 ZINC000870164172 731477899 /nfs/dbraw/zinc/47/78/99/731477899.db2.gz QORZUHLMKGYFGU-UHFFFAOYSA-N 0 0 358.360 2.695 20 10 FFCDRN C[C@@H]1CC[C@H](C(=O)[O-])C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000871879813 731693484 /nfs/dbraw/zinc/69/34/84/731693484.db2.gz 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/nfs/dbraw/zinc/24/21/90/736242190.db2.gz OHBDBDPBTZLXIQ-LJQANCHMSA-N 0 0 362.857 2.558 20 10 FFCDRN CC(C)(C)[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(=O)[O-] ZINC000756312945 736322401 /nfs/dbraw/zinc/32/24/01/736322401.db2.gz SMHYGYQJFZPPIP-OAHLLOKOSA-N 0 0 352.450 2.889 20 10 FFCDRN CC(C)COC[C@@H](O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756460755 736333521 /nfs/dbraw/zinc/33/35/21/736333521.db2.gz SVAYXWFNAHQMCS-MNOVXSKESA-N 0 0 364.255 2.978 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756575154 736344735 /nfs/dbraw/zinc/34/47/35/736344735.db2.gz NLTIXOPSPLGUCQ-NEPJUHHUSA-N 0 0 351.403 2.960 20 10 FFCDRN C[C@H]([NH2+]C[C@@]1(CCO)CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756654297 736349950 /nfs/dbraw/zinc/34/99/50/736349950.db2.gz KBDFPFMADKKULQ-ZUZCIYMTSA-N 0 0 362.239 2.734 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])[C@@H]1CN(C)CCO1 ZINC000756761771 736359502 /nfs/dbraw/zinc/35/95/02/736359502.db2.gz VCSHDKDPICMFNM-RBZYPMLTSA-N 0 0 361.255 2.664 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2nnc(C(C)(C)C)s2)c1 ZINC000758774295 736519988 /nfs/dbraw/zinc/51/99/88/736519988.db2.gz SUNYKPKZRWUALU-UHFFFAOYSA-N 0 0 350.444 2.549 20 10 FFCDRN Cc1ncsc1-c1nc(COC(=O)/C=C/c2ccc(O)c(O)c2)no1 ZINC000759592835 736579430 /nfs/dbraw/zinc/57/94/30/736579430.db2.gz AMABFPBIHFYJJI-HWKANZROSA-N 0 0 359.363 2.669 20 10 FFCDRN COCCS(=O)(=O)c1ccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000760014932 736610123 /nfs/dbraw/zinc/61/01/23/736610123.db2.gz GTEPYFVCZQQZDG-CYBMUJFWSA-N 0 0 367.442 2.802 20 10 FFCDRN COc1ccc(CNC(=O)c2nn(C(C)C)cc2Br)c(O)c1 ZINC000907925782 736689026 /nfs/dbraw/zinc/68/90/26/736689026.db2.gz IQKLNNRBKHWSAE-UHFFFAOYSA-N 0 0 368.231 2.871 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(c3ncccc3F)CC2)c1O ZINC000761201998 736706998 /nfs/dbraw/zinc/70/69/98/736706998.db2.gz JYUROXRFSFENHE-UHFFFAOYSA-N 0 0 351.809 2.911 20 10 FFCDRN CC1(C)CN(C(=O)C2CC2)CCN1Cc1cc(Br)ccc1O ZINC000761226974 736709550 /nfs/dbraw/zinc/70/95/50/736709550.db2.gz YSBWTRHLOFQYFF-UHFFFAOYSA-N 0 0 367.287 2.988 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NC1CCC(F)(F)CC1 ZINC000761667046 736751829 /nfs/dbraw/zinc/75/18/29/736751829.db2.gz QBTYCKJUEQRQEX-UHFFFAOYSA-N 0 0 353.413 2.900 20 10 FFCDRN COCCc1ccc(S(=O)(=O)NCc2cccc(Cl)c2O)cc1 ZINC000908328780 736758779 /nfs/dbraw/zinc/75/87/79/736758779.db2.gz MUTPFGHKJUXORL-UHFFFAOYSA-N 0 0 355.843 2.713 20 10 FFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)Nc3ccsc3)cc2)C1 ZINC000762952694 736886892 /nfs/dbraw/zinc/88/68/92/736886892.db2.gz LTQWSABERYPCNV-AWEZNQCLSA-N 0 0 358.467 2.772 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)OC[C@H]3CC4(CC4)C(=O)O3)cs2)cc1 ZINC000763240586 736918075 /nfs/dbraw/zinc/91/80/75/736918075.db2.gz MIVLZWPIJKEJBU-CYBMUJFWSA-N 0 0 358.419 2.569 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCC(F)(F)C1 ZINC000763704278 736961256 /nfs/dbraw/zinc/96/12/56/736961256.db2.gz BMIBSDWWMNKSOK-HNNXBMFYSA-N 0 0 353.413 2.852 20 10 FFCDRN COc1cccc([C@H](O)C(=O)NCc2cccc(Br)c2O)c1 ZINC000765766828 737156390 /nfs/dbraw/zinc/15/63/90/737156390.db2.gz CJUSKRGSZVKIMY-HNNXBMFYSA-N 0 0 366.211 2.513 20 10 FFCDRN COc1ccc2c(c1)CCCCN2C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000766270821 737214030 /nfs/dbraw/zinc/21/40/30/737214030.db2.gz UTPJEHZKLPPYBY-HNNXBMFYSA-N 0 0 352.500 2.510 20 10 FFCDRN COc1ccc2c(c1)CCCCN2CCNS(=O)(=O)c1ccccc1 ZINC000766270087 737214059 /nfs/dbraw/zinc/21/40/59/737214059.db2.gz POABBLDVYWXMDZ-UHFFFAOYSA-N 0 0 360.479 2.816 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000766490935 737234861 /nfs/dbraw/zinc/23/48/61/737234861.db2.gz XFSUCKXAWDPEBA-AWEZNQCLSA-N 0 0 354.219 2.987 20 10 FFCDRN C[C@H](Oc1cccnc1)C(=O)NCc1cc(Br)ccc1O ZINC000804738839 740901912 /nfs/dbraw/zinc/90/19/12/740901912.db2.gz GRMYOGUGGCJNLU-JTQLQIEISA-N 0 0 351.200 2.633 20 10 FFCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCCC[C@H](S(C)(=O)=O)C2)c1 ZINC000766669339 737250226 /nfs/dbraw/zinc/25/02/26/737250226.db2.gz NWPFSHMEKRYPPG-HNNXBMFYSA-N 0 0 355.500 2.794 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2nnc(CC(C)C)s2)cc1OC ZINC000766859926 737269811 /nfs/dbraw/zinc/26/98/11/737269811.db2.gz YXHHDZRPUOCNJE-UHFFFAOYSA-N 0 0 364.471 2.829 20 10 FFCDRN COc1cccc(S(C)(=O)=O)c1NNC(=S)Nc1ccccc1C ZINC000767425615 737324202 /nfs/dbraw/zinc/32/42/02/737324202.db2.gz LRIZSMKPPINHRH-UHFFFAOYSA-N 0 0 365.480 2.721 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)c3ccccc3N)cc2)CC1 ZINC000767759443 737365342 /nfs/dbraw/zinc/36/53/42/737365342.db2.gz TUMUVEJUFATVLB-UHFFFAOYSA-N 0 0 359.495 2.984 20 10 FFCDRN Cc1nn(C)c(N2CCC2)c1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000913245543 737388543 /nfs/dbraw/zinc/38/85/43/737388543.db2.gz QRGMUNSBNCWMNL-UHFFFAOYSA-N 0 0 358.423 2.817 20 10 FFCDRN COC[C@](C)(CO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000768454138 737423507 /nfs/dbraw/zinc/42/35/07/737423507.db2.gz IFHCEUCZYYXCOA-SFHVURJKSA-N 0 0 350.846 2.875 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](CO)Cc2cncs2)cc1 ZINC000913697856 737434274 /nfs/dbraw/zinc/43/42/74/737434274.db2.gz PNRDFCRYOLDSNN-INIZCTEOSA-N 0 0 355.463 2.884 20 10 FFCDRN COC(=O)C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(OC)cc1OC ZINC000768768872 737456463 /nfs/dbraw/zinc/45/64/63/737456463.db2.gz PAFZQZPAGXQGHY-CYBMUJFWSA-N 0 0 365.407 2.505 20 10 FFCDRN COC(C)(C)[C@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000914201075 737526978 /nfs/dbraw/zinc/52/69/78/737526978.db2.gz WIJKHMHRTUJIKW-AWEZNQCLSA-N 0 0 351.516 2.853 20 10 FFCDRN CCCN(CCC)c1ccc(CN2CCN(CC[S@](C)=O)CC2)cc1 ZINC000769480264 737534001 /nfs/dbraw/zinc/53/40/01/737534001.db2.gz LXSYMLIWPYKBFV-VWLOTQADSA-N 0 0 365.587 2.809 20 10 FFCDRN C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H]2CCCC[C@H]12 ZINC000769688003 737553778 /nfs/dbraw/zinc/55/37/78/737553778.db2.gz AYBADKZFWAXLKC-XPKDYRNWSA-N 0 0 366.483 2.805 20 10 FFCDRN CCC[C@@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769765553 737564342 /nfs/dbraw/zinc/56/43/42/737564342.db2.gz CDZQGWIYNJKULO-DOMZBBRYSA-N 0 0 354.472 2.852 20 10 FFCDRN O=c1[nH]c(=O)n(C2CC2)c2nc(C3CC3)nc(Sc3nccs3)c12 ZINC000914862537 737597050 /nfs/dbraw/zinc/59/70/50/737597050.db2.gz KREXTUVCXGCFCD-UHFFFAOYSA-N 0 0 359.436 2.712 20 10 FFCDRN CN(C)c1ccc(CNc2cc(Br)cnc2C(N)=O)cc1F ZINC000770112517 737597596 /nfs/dbraw/zinc/59/75/96/737597596.db2.gz QSIDKWCUDSVVAW-UHFFFAOYSA-N 0 0 367.222 2.760 20 10 FFCDRN CCOC(=O)c1c(NC(=O)[C@H]2CC(=O)N(CC)C2)sc2c1CCCC2 ZINC000915127977 737609650 /nfs/dbraw/zinc/60/96/50/737609650.db2.gz WJSIMSVKFDWBKT-NSHDSACASA-N 0 0 364.467 2.611 20 10 FFCDRN COC(=O)c1ccccc1CC(=O)NCCCSc1nccs1 ZINC000770491502 737632334 /nfs/dbraw/zinc/63/23/34/737632334.db2.gz YBGMSOYXVRMQHA-UHFFFAOYSA-N 0 0 350.465 2.771 20 10 FFCDRN Cc1nn(C)c(C)c1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000916626098 737716455 /nfs/dbraw/zinc/71/64/55/737716455.db2.gz RSKWUVRXFNOKJY-UHFFFAOYSA-N 0 0 359.499 2.912 20 10 FFCDRN O=S(=O)(CC1CCC1)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771763272 737753517 /nfs/dbraw/zinc/75/35/17/737753517.db2.gz VUCFHJBYUPPAAP-MRXNPFEDSA-N 0 0 372.918 2.730 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cnn(C(F)F)c3)CC2)cc1 ZINC000772454216 737813509 /nfs/dbraw/zinc/81/35/09/737813509.db2.gz DETXWJOBRRTRRY-UHFFFAOYSA-N 0 0 351.357 2.641 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H](O)Cc2ccccc2Cl)cc1F ZINC000772597038 737826057 /nfs/dbraw/zinc/82/60/57/737826057.db2.gz QCAQQTPRJDGFQZ-QGZVFWFLSA-N 0 0 350.821 2.765 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)c1ccc(Cl)cn1 ZINC000773767296 737933776 /nfs/dbraw/zinc/93/37/76/737933776.db2.gz ZHYYLZKACCIRJU-LLVKDONJSA-N 0 0 362.813 2.857 20 10 FFCDRN CC(C)CN1C(=O)C(=CN[C@H](C)c2cccc(Cl)c2)C(=O)NC1=S ZINC000920980365 737937888 /nfs/dbraw/zinc/93/78/88/737937888.db2.gz KSMDGRFSPWLAMM-GYBQTFJISA-N 0 0 365.886 2.774 20 10 FFCDRN Fc1ccc(NC(=S)NCc2cccc(N3CCOCC3)n2)c(F)c1 ZINC000774258241 737974300 /nfs/dbraw/zinc/97/43/00/737974300.db2.gz OPZZFTPDYUXJOE-UHFFFAOYSA-N 0 0 364.421 2.683 20 10 FFCDRN CCCC[C@H](CC)CNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000774420330 737987823 /nfs/dbraw/zinc/98/78/23/737987823.db2.gz SKQCCFXLSVDOGG-AWEZNQCLSA-N 0 0 351.466 2.841 20 10 FFCDRN COc1c(O)c(CN2CCN(Cc3cccs3)CC2)ccc1[N+](=O)[O-] ZINC000774821886 738029812 /nfs/dbraw/zinc/02/98/12/738029812.db2.gz UXSLALSNGNPTRP-UHFFFAOYSA-N 0 0 363.439 2.688 20 10 FFCDRN COc1c(O)c(CN2CCC[C@H](OCC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000774841322 738031583 /nfs/dbraw/zinc/03/15/83/738031583.db2.gz XHOCUUGOBOWQID-NSHDSACASA-N 0 0 364.320 2.852 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@]2(N(C)C)CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774979312 738047523 /nfs/dbraw/zinc/04/75/23/738047523.db2.gz TWLHBWLFBUUYJE-UGSOOPFHSA-N 0 0 351.447 2.909 20 10 FFCDRN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1c(C)cc(OC)cc1C ZINC000775286775 738078465 /nfs/dbraw/zinc/07/84/65/738078465.db2.gz NSOPIVORCROVJP-UHFFFAOYSA-N 0 0 365.407 2.605 20 10 FFCDRN COC(=O)CN(Cc1cc(Br)cc(C)c1O)C1CCOCC1 ZINC000775725201 738117590 /nfs/dbraw/zinc/11/75/90/738117590.db2.gz VGNFTAWPLOEGBO-UHFFFAOYSA-N 0 0 372.259 2.617 20 10 FFCDRN Cc1cccc(CN2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000775740010 738120024 /nfs/dbraw/zinc/12/00/24/738120024.db2.gz JJEQWTLPFXSPGE-ZBFHGGJFSA-N 0 0 350.459 2.815 20 10 FFCDRN CS(=O)(=O)c1cccc(NNC(=S)Nc2ccc3c(c2)CCC3)c1 ZINC000776266130 738175873 /nfs/dbraw/zinc/17/58/73/738175873.db2.gz DIONOUFSJBWSFT-UHFFFAOYSA-N 0 0 361.492 2.892 20 10 FFCDRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc(F)c1F ZINC000776747456 738229021 /nfs/dbraw/zinc/22/90/21/738229021.db2.gz DZYFNJGKOVEXBT-UHFFFAOYSA-N 0 0 357.334 2.566 20 10 FFCDRN COCCO[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000776813304 738235626 /nfs/dbraw/zinc/23/56/26/738235626.db2.gz YBECDOCNIPTBPX-ZIAGYGMSSA-N 0 0 350.242 2.609 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2cccc3c(C)ccnc32)c1O ZINC000777964796 738336138 /nfs/dbraw/zinc/33/61/38/738336138.db2.gz MADWDGRNSLIRMQ-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2c(Cl)ccnc2Cl)c1O ZINC000778005066 738341149 /nfs/dbraw/zinc/34/11/49/738341149.db2.gz LMIOEXKKJNIVHE-UHFFFAOYSA-N 0 0 363.222 2.581 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)NCc1c(O)cccc1F ZINC000928706162 738897857 /nfs/dbraw/zinc/89/78/57/738897857.db2.gz SLUFMBYEISELBE-LLVKDONJSA-N 0 0 362.348 2.696 20 10 FFCDRN Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000924105381 738372981 /nfs/dbraw/zinc/37/29/81/738372981.db2.gz DZELUGAVZRMQKY-GOEBONIOSA-N 0 0 364.833 2.578 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@H]1CCS(=O)(=O)C1 ZINC000778341311 738373923 /nfs/dbraw/zinc/37/39/23/738373923.db2.gz VVHPPOANKMPBPT-CYBMUJFWSA-N 0 0 353.465 2.747 20 10 FFCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCCCN1C(=O)c1cccs1 ZINC000928707844 738898224 /nfs/dbraw/zinc/89/82/24/738898224.db2.gz CVBXEKSSFRFVPQ-CQSZACIVSA-N 0 0 362.426 2.904 20 10 FFCDRN Cc1cc(C(=O)OC[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000778357491 738376883 /nfs/dbraw/zinc/37/68/83/738376883.db2.gz YDLAQUDEQUYTBH-MRXNPFEDSA-N 0 0 361.463 2.994 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cnccc1C(F)(F)F ZINC000785495630 738970174 /nfs/dbraw/zinc/97/01/74/738970174.db2.gz PARGDZRZBNTQFX-UHFFFAOYSA-N 0 0 373.400 2.953 20 10 FFCDRN CCC(CC)CNC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000786771171 739075661 /nfs/dbraw/zinc/07/56/61/739075661.db2.gz VJJLHSABEUSZKK-UHFFFAOYSA-N 0 0 351.466 2.841 20 10 FFCDRN COc1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)ccc1F ZINC000786848716 739081862 /nfs/dbraw/zinc/08/18/62/739081862.db2.gz OQIURCRURRQGSL-UHFFFAOYSA-N 0 0 352.431 2.687 20 10 FFCDRN CC(C)(O)CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000787394133 739133222 /nfs/dbraw/zinc/13/32/22/739133222.db2.gz FIVUXKQPIAKXJG-CYBMUJFWSA-N 0 0 356.413 2.924 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000787493070 739141723 /nfs/dbraw/zinc/14/17/23/739141723.db2.gz FANPTMACLKBTBG-AWEZNQCLSA-N 0 0 355.818 2.505 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCCOCC(F)(F)C(F)(F)F ZINC000787748730 739166336 /nfs/dbraw/zinc/16/63/36/739166336.db2.gz SXCBAPMJJIDVKU-RQOWECAXSA-N 0 0 356.243 2.868 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc(Br)cn1 ZINC000930905671 739182627 /nfs/dbraw/zinc/18/26/27/739182627.db2.gz JXKWYGLSQMVJGK-UHFFFAOYSA-N 0 0 363.259 2.967 20 10 FFCDRN Cc1cc(Cl)cc(CNc2ccc3c(c2)CN(CC(N)=O)CC3)c1O ZINC000789767796 739386387 /nfs/dbraw/zinc/38/63/87/739386387.db2.gz AKOFHUUPQDXRRW-UHFFFAOYSA-N 0 0 359.857 2.810 20 10 FFCDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000789880687 739393666 /nfs/dbraw/zinc/39/36/66/739393666.db2.gz HOFUAFYVOWTYPF-KRWDZBQOSA-N 0 0 368.543 2.952 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000789971727 739400829 /nfs/dbraw/zinc/40/08/29/739400829.db2.gz TUOVONGWTIGHIN-AWEZNQCLSA-N 0 0 353.296 2.729 20 10 FFCDRN CC(C)N(CCCNC(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C ZINC000790641527 739478935 /nfs/dbraw/zinc/47/89/35/739478935.db2.gz BPAZKAGBQMDCTE-UHFFFAOYSA-N 0 0 352.431 2.863 20 10 FFCDRN CC[C@H](C(=O)OC)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000790773163 739493597 /nfs/dbraw/zinc/49/35/97/739493597.db2.gz RPECHLOPLWKYRF-LBPRGKRZSA-N 0 0 358.232 2.702 20 10 FFCDRN O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000790955182 739518700 /nfs/dbraw/zinc/51/87/00/739518700.db2.gz LMMFRUFIPJCYDZ-UHFFFAOYSA-N 0 0 354.784 2.772 20 10 FFCDRN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)cc(F)c1O ZINC000792177899 739647131 /nfs/dbraw/zinc/64/71/31/739647131.db2.gz WXRZIUCJHPFKIB-UHFFFAOYSA-N 0 0 370.833 2.656 20 10 FFCDRN CCNS(=O)(=O)c1ccc2c(c1)N(Cc1c(O)cccc1Cl)CC2 ZINC000792178246 739647245 /nfs/dbraw/zinc/64/72/45/739647245.db2.gz YRCMZFGYIVDXNK-UHFFFAOYSA-N 0 0 366.870 2.907 20 10 FFCDRN CC[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@@]2(CCOC2)O1 ZINC000793104428 739739361 /nfs/dbraw/zinc/73/93/61/739739361.db2.gz RIBRRLUUHLMADT-XJKSGUPXSA-N 0 0 371.528 2.605 20 10 FFCDRN O=C(Cc1ccc2n[nH]cc2c1)NCc1cccc(Br)c1O ZINC000793971530 739832516 /nfs/dbraw/zinc/83/25/16/739832516.db2.gz SYFBMEISHLLUNP-UHFFFAOYSA-N 0 0 360.211 2.890 20 10 FFCDRN COc1cccc(CNC(=O)Cn2nc(C(F)F)cc2C(F)F)c1O ZINC000934940682 739869086 /nfs/dbraw/zinc/86/90/86/739869086.db2.gz SYWDWNGSXZGDSP-UHFFFAOYSA-N 0 0 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Nc1ccc(Cc2nc(C(=O)NCC3(CCO)CCCC3)cs2)cc1 ZINC000817957579 742224227 /nfs/dbraw/zinc/22/42/27/742224227.db2.gz DDOJWPOULAFSHT-UHFFFAOYSA-N 0 0 359.495 2.989 20 10 FFCDRN O=C1CN(Cc2ccccc2O)C(=O)N1c1nc2c(s1)CSCC2 ZINC000819007936 742324331 /nfs/dbraw/zinc/32/43/31/742324331.db2.gz HZNSRSYXNNSRLF-UHFFFAOYSA-N 0 0 361.448 2.607 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nc(Cl)cs1 ZINC000819698979 742424697 /nfs/dbraw/zinc/42/46/97/742424697.db2.gz VIKVGKQXCAXQSA-UHFFFAOYSA-N 0 0 354.815 2.708 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CCCc1nccs1 ZINC000819698740 742424739 /nfs/dbraw/zinc/42/47/39/742424739.db2.gz QZHBBEQSNSKIPZ-UHFFFAOYSA-N 0 0 362.451 2.763 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cc(C)cs3)C2)cc1 ZINC000819888731 742440030 /nfs/dbraw/zinc/44/00/30/742440030.db2.gz YXDAQNDCNZCXDT-AWEZNQCLSA-N 0 0 366.508 2.870 20 10 FFCDRN CCC[C@@H](C)CS(=O)(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819888191 742440051 /nfs/dbraw/zinc/44/00/51/742440051.db2.gz SRIUYAMEYZQIMY-CVEARBPZSA-N 0 0 354.516 2.877 20 10 FFCDRN COc1cccc(CNC(=O)Cn2nc(C(F)F)cc2C2CC2)c1O ZINC000821064842 742582782 /nfs/dbraw/zinc/58/27/82/742582782.db2.gz IEZAFWISTQEOHA-UHFFFAOYSA-N 0 0 351.353 2.729 20 10 FFCDRN O=C(Cc1cc(C2CC2)no1)NCc1ccc(N2CCSCC2)cc1 ZINC000822553398 742751219 /nfs/dbraw/zinc/75/12/19/742751219.db2.gz JCUUHVWPVMFXTR-UHFFFAOYSA-N 0 0 357.479 2.964 20 10 FFCDRN COc1ccc(CNC(=O)CC2CCN(CC(F)(F)F)CC2)c(O)c1 ZINC000822611487 742759038 /nfs/dbraw/zinc/75/90/38/742759038.db2.gz BYYUQMIIKFURJA-UHFFFAOYSA-N 0 0 360.376 2.681 20 10 FFCDRN CC1(O)CC(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000823003284 742817013 /nfs/dbraw/zinc/81/70/13/742817013.db2.gz DUVOLQRRBKPQMC-UHFFFAOYSA-N 0 0 354.397 2.534 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H](C)CCSC)C2)cc1 ZINC000823088259 742829812 /nfs/dbraw/zinc/82/98/12/742829812.db2.gz JJOCIIWVBGHJAH-LSDHHAIUSA-N 0 0 351.516 2.962 20 10 FFCDRN CCCN(CC(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823554182 742935501 /nfs/dbraw/zinc/93/55/01/742935501.db2.gz 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/nfs/dbraw/zinc/19/34/75/743193475.db2.gz BEEOMZQNTHIYFV-SFHVURJKSA-N 0 0 360.479 2.678 20 10 FFCDRN Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000825045639 743200392 /nfs/dbraw/zinc/20/03/92/743200392.db2.gz IKILQSXODYLVFG-DOMZBBRYSA-N 0 0 366.805 2.697 20 10 FFCDRN CN(Cc1csc(C(C)(C)O)n1)Cc1ccc(N2CCOCC2)cc1 ZINC000825147408 743218533 /nfs/dbraw/zinc/21/85/33/743218533.db2.gz FTSRUBXFVTWOCO-UHFFFAOYSA-N 0 0 361.511 2.839 20 10 FFCDRN COc1cccc(CNc2cccc(S(=O)(=O)N(C)C)c2C)c1O ZINC000825290089 743242323 /nfs/dbraw/zinc/24/23/23/743242323.db2.gz OAHSKAXADCUHTN-UHFFFAOYSA-N 0 0 350.440 2.572 20 10 FFCDRN CN(c1ccc(CNC(=O)CS(=O)(=O)C2CC2)cc1)C1CCCCC1 ZINC000825467212 743276462 /nfs/dbraw/zinc/27/64/62/743276462.db2.gz OMPVBKKREMXPDM-UHFFFAOYSA-N 0 0 364.511 2.649 20 10 FFCDRN CCOC(=O)[C@@H](NCc1ccc(Br)cc1O)[C@H]1CCCOC1 ZINC000825671350 743308751 /nfs/dbraw/zinc/30/87/51/743308751.db2.gz IIPGYRNMXNEPRK-WFASDCNBSA-N 0 0 372.259 2.603 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1)C1CC1 ZINC000827128098 743513308 /nfs/dbraw/zinc/51/33/08/743513308.db2.gz ZOYZKDQDIYPZSP-LJQANCHMSA-N 0 0 366.527 2.767 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@@H]2CSc3ccccc3O2)c1O ZINC000827429514 743573849 /nfs/dbraw/zinc/57/38/49/743573849.db2.gz GQABKDIDQKOJIC-CYBMUJFWSA-N 0 0 360.435 2.753 20 10 FFCDRN CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000827474781 743584671 /nfs/dbraw/zinc/58/46/71/743584671.db2.gz MSFJSFCJOAHZRP-CQSZACIVSA-N 0 0 366.508 2.960 20 10 FFCDRN COC[C@]1(C(=O)OC)CCCN1Cc1cc(Br)cc(C)c1O ZINC000827487946 743587843 /nfs/dbraw/zinc/58/78/43/743587843.db2.gz ALIMPUGKMQKENS-INIZCTEOSA-N 0 0 372.259 2.617 20 10 FFCDRN Oc1cc(Br)ccc1CN1CCn2c(nnc2C(F)F)C1 ZINC000827898295 744998723 /nfs/dbraw/zinc/99/87/23/744998723.db2.gz JUXPRJGWBBIVNB-UHFFFAOYSA-N 0 0 359.174 2.700 20 10 FFCDRN CCc1cccc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)n1 ZINC000828519328 745080422 /nfs/dbraw/zinc/08/04/22/745080422.db2.gz LUCZVESKNRMIIK-UHFFFAOYSA-N 0 0 362.813 2.818 20 10 FFCDRN COC1CCN(c2ccc(CN(C)CC(C)(C)S(C)(=O)=O)cc2)CC1 ZINC000828564436 745086547 /nfs/dbraw/zinc/08/65/47/745086547.db2.gz PKZJHFJSAJCOFB-UHFFFAOYSA-N 0 0 368.543 2.557 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)N[C@H]2CCOc3ccccc32)s1 ZINC000829687496 745245361 /nfs/dbraw/zinc/24/53/61/745245361.db2.gz KFZJRSWBHNFAEC-NSHDSACASA-N 0 0 364.448 2.662 20 10 FFCDRN COc1ccc(N(CC2CC2)S(=O)(=O)c2cccc3nonc32)cc1 ZINC000830134053 745313288 /nfs/dbraw/zinc/31/32/88/745313288.db2.gz FUESEWNLTLGGJZ-UHFFFAOYSA-N 0 0 359.407 2.837 20 10 FFCDRN Cc1cc(CC(=O)N[C@H](C)CCS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000830297805 745335352 /nfs/dbraw/zinc/33/53/52/745335352.db2.gz NVCISHHMVKZZST-CQSZACIVSA-N 0 0 362.495 2.576 20 10 FFCDRN C[C@@]1(C(=O)NCc2ccccc2O)CC1(Br)Br ZINC000830526039 745375437 /nfs/dbraw/zinc/37/54/37/745375437.db2.gz BIISQWWKTAUYAZ-NSHDSACASA-N 0 0 363.049 2.905 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc(N)cn1 ZINC000830803808 745432862 /nfs/dbraw/zinc/43/28/62/745432862.db2.gz 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746386688 /nfs/dbraw/zinc/38/66/88/746386688.db2.gz QSDVRSIVADOXAC-UHFFFAOYSA-N 0 0 354.472 2.803 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cn1 ZINC000837475526 746454958 /nfs/dbraw/zinc/45/49/58/746454958.db2.gz WYPVVDODMWCNQA-ZDUSSCGKSA-N 0 0 362.813 2.905 20 10 FFCDRN Cc1cc(C(=O)COC(=O)C(C)(C)O)c(C)n1-c1ccc(Cl)cn1 ZINC000837485379 746457760 /nfs/dbraw/zinc/45/77/60/746457760.db2.gz OIGTXMNLTWROHA-UHFFFAOYSA-N 0 0 350.802 2.639 20 10 FFCDRN C[C@H](CC(C)(C)O)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837651660 746492819 /nfs/dbraw/zinc/49/28/19/746492819.db2.gz OHBPSZLFQXRWFT-CQSZACIVSA-N 0 0 351.516 2.589 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@H](CCCO)C1 ZINC000837651000 746492885 /nfs/dbraw/zinc/49/28/85/746492885.db2.gz GJUYTRXDGXUQQC-QGZVFWFLSA-N 0 0 363.527 2.544 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CO)CC2)cc1F ZINC000838392329 746629754 /nfs/dbraw/zinc/62/97/54/746629754.db2.gz TWTHVOVMTAVSKG-HNNXBMFYSA-N 0 0 351.466 2.976 20 10 FFCDRN CC(C)[C@H](C)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838485857 746648379 /nfs/dbraw/zinc/64/83/79/746648379.db2.gz FIICKUNEKHNHQP-CYBMUJFWSA-N 0 0 355.429 2.893 20 10 FFCDRN CC(C)(C)c1nnc(CNC(=O)NCCCSc2nccs2)[nH]1 ZINC000838513075 746655630 /nfs/dbraw/zinc/65/56/30/746655630.db2.gz CYULZFWSBAMCFD-UHFFFAOYSA-N 0 0 354.505 2.540 20 10 FFCDRN O=C(NCCCSc1nccs1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000838516894 746656454 /nfs/dbraw/zinc/65/64/54/746656454.db2.gz SKGMILRLVRHYTI-CJNGLKHVSA-N 0 0 353.513 2.978 20 10 FFCDRN COC(=O)c1cnc(S[C@@H]2CCN(c3ccc(F)cc3)C2=O)s1 ZINC000840209855 747038141 /nfs/dbraw/zinc/03/81/41/747038141.db2.gz FNEXAKQYVOYDKL-LLVKDONJSA-N 0 0 352.412 2.966 20 10 FFCDRN COCC[C@@H](C)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000840256565 747049684 /nfs/dbraw/zinc/04/96/84/747049684.db2.gz ANBWFGHYGTZWGU-OAHLLOKOSA-N 0 0 351.516 2.712 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CO)[C@@H]2C)cc1F ZINC000840293215 747057761 /nfs/dbraw/zinc/05/77/61/747057761.db2.gz DSAXMPZCDJKQNG-HOCLYGCPSA-N 0 0 351.466 2.974 20 10 FFCDRN Cc1nnc(CCNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000840375673 747077825 /nfs/dbraw/zinc/07/78/25/747077825.db2.gz OBLZRIGRCIFLNU-ZDUSSCGKSA-N 0 0 361.515 2.694 20 10 FFCDRN Cc1nc(N[C@@H](C)Cc2ccc(N(C)C)cc2C)sc1S(N)(=O)=O ZINC000840384402 747080879 /nfs/dbraw/zinc/08/08/79/747080879.db2.gz JKIWCTCSPIGIGI-NSHDSACASA-N 0 0 368.528 2.516 20 10 FFCDRN COC1([C@@H](C)NC(=O)NCc2cccc(Br)c2O)CCC1 ZINC000840457313 747098102 /nfs/dbraw/zinc/09/81/02/747098102.db2.gz OKMAUQQEXYVPIR-SNVBAGLBSA-N 0 0 357.248 2.912 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC[C@H](O)C(F)(F)F ZINC000840485622 747104937 /nfs/dbraw/zinc/10/49/37/747104937.db2.gz VLLNKRXKCZXRGS-WFASDCNBSA-N 0 0 361.408 2.605 20 10 FFCDRN CC[C@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1nccn1C ZINC000840760361 747175215 /nfs/dbraw/zinc/17/52/15/747175215.db2.gz VUIAGOFYPWXXJE-INIZCTEOSA-N 0 0 350.413 2.776 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000842196425 747543424 /nfs/dbraw/zinc/54/34/24/747543424.db2.gz LESXTEIGLQREBM-HNNXBMFYSA-N 0 0 354.445 2.624 20 10 FFCDRN C[C@@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842241944 747554211 /nfs/dbraw/zinc/55/42/11/747554211.db2.gz MEYPOWZXHZZDLF-ZDUSSCGKSA-N 0 0 359.857 2.801 20 10 FFCDRN Cc1ccc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)nc1 ZINC000842260781 747559755 /nfs/dbraw/zinc/55/97/55/747559755.db2.gz DTXIIZKTWUAKTR-UHFFFAOYSA-N 0 0 359.813 2.756 20 10 FFCDRN COc1cc(C(F)(F)F)cc(S(=O)(=O)NCCc2ccc(N)cc2)c1 ZINC000842823379 747698762 /nfs/dbraw/zinc/69/87/62/747698762.db2.gz RGBPPOWPMOSJHP-UHFFFAOYSA-N 0 0 374.384 2.817 20 10 FFCDRN Cc1cc(Br)cc(C[N@H+](CCC(=O)[O-])C2CCOCC2)c1O ZINC000843039678 747753854 /nfs/dbraw/zinc/75/38/54/747753854.db2.gz DUUDHYGOPJUSAI-UHFFFAOYSA-N 0 0 372.259 2.919 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](CCO)c2ccccc2F)ccc1[N+](=O)[O-] ZINC000843429616 747835234 /nfs/dbraw/zinc/83/52/34/747835234.db2.gz IAFCYDQKRQGRIB-CQSZACIVSA-N 0 0 350.346 2.661 20 10 FFCDRN CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000843433184 747836794 /nfs/dbraw/zinc/83/67/94/747836794.db2.gz WAJQZYJFRJTUHE-ZDUSSCGKSA-N 0 0 354.731 2.685 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCOC2)c(C)n1-c1ccc(Br)cn1 ZINC000843836910 747908202 /nfs/dbraw/zinc/90/82/02/747908202.db2.gz HGODAGZQQNGCFW-CYBMUJFWSA-N 0 0 364.243 2.770 20 10 FFCDRN COC(=O)CCc1csc(NC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000844564818 748052588 /nfs/dbraw/zinc/05/25/88/748052588.db2.gz HMPMIVGWIFURMK-UHFFFAOYSA-N 0 0 369.830 2.929 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=S)Nc2ccc(OC)nc2)cc1 ZINC000844580829 748054823 /nfs/dbraw/zinc/05/48/23/748054823.db2.gz PDOKSHOMCOHFCY-UHFFFAOYSA-N 0 0 360.483 2.864 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cn2c(=O)sc3c2CCCC3)cc1 ZINC000844725267 748084300 /nfs/dbraw/zinc/08/43/00/748084300.db2.gz JWJMRGYIAOEFQM-UHFFFAOYSA-N 0 0 361.511 2.823 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cn2nc(N(C)C)sc2=S)cc1 ZINC000844725280 748084793 /nfs/dbraw/zinc/08/47/93/748084793.db2.gz KHNWVCWMYBMRBN-UHFFFAOYSA-N 0 0 367.544 2.774 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)CSCc2ccccn2)cc1 ZINC000844854533 748117079 /nfs/dbraw/zinc/11/70/79/748117079.db2.gz QIZIDPNDBPQQHY-UHFFFAOYSA-N 0 0 359.495 2.918 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CC2(Cl)Cl)cc1 ZINC000844863231 748119009 /nfs/dbraw/zinc/11/90/09/748119009.db2.gz UYQIPLRTHAPWRI-LBPRGKRZSA-N 0 0 360.285 2.967 20 10 FFCDRN O=C(CC1CCCCC1)NCCNC(=O)NCc1cc(Cl)ccc1O ZINC000844941898 748141760 /nfs/dbraw/zinc/14/17/60/748141760.db2.gz UJLQNUKXOLWKPX-UHFFFAOYSA-N 0 0 367.877 2.931 20 10 FFCDRN CC(C)OC(=O)N1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844972477 748150807 /nfs/dbraw/zinc/15/08/07/748150807.db2.gz ISIPBSCTGBMEFX-UHFFFAOYSA-N 0 0 369.849 2.854 20 10 FFCDRN CCOCc1nc([C@H](C)NC(=O)NCc2cc(Cl)ccc2O)no1 ZINC000845207605 748204876 /nfs/dbraw/zinc/20/48/76/748204876.db2.gz ZUTHGANUIWDREO-VIFPVBQESA-N 0 0 354.794 2.526 20 10 FFCDRN CCOc1cccc(CN[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c1O ZINC000846110007 748409229 /nfs/dbraw/zinc/40/92/29/748409229.db2.gz 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CO[C@@](C)(CO)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000848558534 748960009 /nfs/dbraw/zinc/96/00/09/748960009.db2.gz MCNSIPKSWUXYMB-AMIZOPFISA-N 0 0 352.656 2.856 20 10 FFCDRN CCc1cccc(CN2CCN(S(C)(=O)=O)c3ccccc3C2)c1O ZINC000848890168 749029911 /nfs/dbraw/zinc/02/99/11/749029911.db2.gz PEWXTJSSUNHAIE-UHFFFAOYSA-N 0 0 360.479 2.736 20 10 FFCDRN CN1C(=O)/C(=C/c2cn(C3CCC3)nn2)c2cc(Br)cnc21 ZINC000849247992 749077843 /nfs/dbraw/zinc/07/78/43/749077843.db2.gz IPASNNCBPDQUNI-AWNIVKPZSA-N 0 0 360.215 2.678 20 10 FFCDRN CCOC(=O)c1cc(NS(=O)(=O)C[C@H](OC)C2CCCC2)ccc1O ZINC000849310495 749097972 /nfs/dbraw/zinc/09/79/72/749097972.db2.gz YDMILJUKRLDXBW-INIZCTEOSA-N 0 0 371.455 2.516 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1ccc2c(c1)CCCN2C)C1CCCC1 ZINC000849372086 749116990 /nfs/dbraw/zinc/11/69/90/749116990.db2.gz FLXGIPHGBLZYEC-LJQANCHMSA-N 0 0 366.527 2.694 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3sccc3Cl)C2)cc1 ZINC000849417338 749143437 /nfs/dbraw/zinc/14/34/37/749143437.db2.gz 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ZINC000852596177 749900217 /nfs/dbraw/zinc/90/02/17/749900217.db2.gz IZGPUSVDADVUCH-BBRMVZONSA-N 0 0 362.861 2.990 20 10 FFCDRN Cn1cc(C[C@H]2CCC[C@H]2NC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000852596184 749900290 /nfs/dbraw/zinc/90/02/90/749900290.db2.gz IZGPUSVDADVUCH-CZUORRHYSA-N 0 0 362.861 2.990 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)NCC1SCCS1 ZINC000852668468 749918129 /nfs/dbraw/zinc/91/81/29/749918129.db2.gz DVFJLLZQWLNNRL-UHFFFAOYSA-N 0 0 363.302 2.760 20 10 FFCDRN CCOC(=O)CC1([NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])CCOCC1 ZINC000852727749 749934927 /nfs/dbraw/zinc/93/49/27/749934927.db2.gz QQOFKJGLOIDDJT-UHFFFAOYSA-N 0 0 369.845 2.840 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CC[C@@]4(C3)CCCOC4)cs2)cc1 ZINC000852914901 749972487 /nfs/dbraw/zinc/97/24/87/749972487.db2.gz KDSRFIXVTOTHSE-LJQANCHMSA-N 0 0 357.479 2.959 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCC1(O)CCC(F)(F)CC1 ZINC000853748226 750151724 /nfs/dbraw/zinc/15/17/24/750151724.db2.gz BKEIZTLAARBEHI-UHFFFAOYSA-N 0 0 355.429 2.801 20 10 FFCDRN CS(=O)(=O)c1ccccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853954631 750209151 /nfs/dbraw/zinc/20/91/51/750209151.db2.gz MJOKSJUYMTYAHL-UHFFFAOYSA-N 0 0 360.479 2.663 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC(C)(CC(F)F)C3)C2)cc1 ZINC000854296011 750277036 /nfs/dbraw/zinc/27/70/36/750277036.db2.gz GPEGSIYNQKXKGU-ZDUSSCGKSA-N 0 0 353.413 2.961 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)c3cccs3)CC2)cc1 ZINC000055669592 845338388 /nfs/dbraw/zinc/33/83/88/845338388.db2.gz VRXUVSXQHRLBLA-UHFFFAOYSA-N 0 0 352.481 2.658 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000068462494 845522062 /nfs/dbraw/zinc/52/20/62/845522062.db2.gz IDXWDOWHIRTNSX-CQSZACIVSA-N 0 0 364.442 2.702 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)nc(C(F)(F)F)n1 ZINC000187273730 845733999 /nfs/dbraw/zinc/73/39/99/845733999.db2.gz VMPIWUABJZVDMY-UHFFFAOYSA-N 0 0 356.323 2.939 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCCc3cccnc3C)C2)cc1 ZINC000895650219 970805226 /nfs/dbraw/zinc/80/52/26/970805226.db2.gz 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O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1CCOC2(CCC2)C1 ZINC000895780886 970956242 /nfs/dbraw/zinc/95/62/42/970956242.db2.gz YTSCQARIJGAVCO-IBGZPJMESA-N 0 0 372.509 2.861 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000840325579 971078751 /nfs/dbraw/zinc/07/87/51/971078751.db2.gz YRNMIQZHRBQVPK-RHSMWYFYSA-N 0 0 355.486 2.572 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2c3ccccc3C(=O)OC23CCC3)c1O ZINC000896115237 971242907 /nfs/dbraw/zinc/24/29/07/971242907.db2.gz CBUUBRXBCHPOKI-KRWDZBQOSA-N 0 0 367.401 2.894 20 10 FFCDRN C[C@@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)[C@H]1CO ZINC000888587553 1013069918 /nfs/dbraw/zinc/06/99/18/1013069918.db2.gz JPOSTGSMRYIRIY-HIFRSBDPSA-N 0 0 351.410 2.631 20 10 FFCDRN CC(C)Nc1ccccc1NCC(=O)NC[C@H]1COc2ccccc2O1 ZINC000871847513 1013086552 /nfs/dbraw/zinc/08/65/52/1013086552.db2.gz SCLNKVABLQDYII-HNNXBMFYSA-N 0 0 355.438 2.875 20 10 FFCDRN NC(=O)c1coc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000187976748 971475722 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C[C@@H](NC(=O)Cc1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)cc1 ZINC000124295284 972218499 /nfs/dbraw/zinc/21/84/99/972218499.db2.gz XWNUGAROPDGCTO-OAHLLOKOSA-N 0 0 368.433 2.672 20 10 FFCDRN CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2O)C1=O ZINC001275892371 1013152846 /nfs/dbraw/zinc/15/28/46/1013152846.db2.gz BQIILYXOVWAEKC-SGTLLEGYSA-N 0 0 350.846 2.590 20 10 FFCDRN O=C1N(Cc2cnoc2)CC[C@]12CCCN2Cc1ccc(Cl)cc1O ZINC001275896325 1013157063 /nfs/dbraw/zinc/15/70/63/1013157063.db2.gz XQZCIZAIXIAHOB-GOSISDBHSA-N 0 0 361.829 2.801 20 10 FFCDRN CCCOc1cc(OC)ccc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784903287 958896766 /nfs/dbraw/zinc/89/67/66/958896766.db2.gz DEOYEJKAUXEBTQ-UHFFFAOYSA-N 0 0 360.362 2.935 20 10 FFCDRN COc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(OC(C)C)c1 ZINC000784907305 958931069 /nfs/dbraw/zinc/93/10/69/958931069.db2.gz YPDDNXHNQMHDDJ-UHFFFAOYSA-N 0 0 360.362 2.933 20 10 FFCDRN O=C(c1cccc(O)c1O)N1C[C@H]2CC[C@@H](C1)N2CCCC(F)(F)F ZINC001271242651 972403384 /nfs/dbraw/zinc/40/33/84/972403384.db2.gz 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FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc(C(F)(F)F)n(C)n2)c1 ZINC000898517121 976511188 /nfs/dbraw/zinc/51/11/88/976511188.db2.gz JIZILKAXJZWANP-SECBINFHSA-N 0 0 372.347 2.714 20 10 FFCDRN COc1ccc(CN2CCN(c3nccc(C(C)C)n3)CC2)c(O)c1OC ZINC000893639629 976737866 /nfs/dbraw/zinc/73/78/66/976737866.db2.gz GIQCTDKTRVXJDY-UHFFFAOYSA-N 0 0 372.469 2.645 20 10 FFCDRN COc1ccc(OC)c(-c2noc([C@H](O)c3ccc(N(C)C)cc3)n2)c1 ZINC001211700953 976785065 /nfs/dbraw/zinc/78/50/65/976785065.db2.gz DTSGLKWWADSXQY-QGZVFWFLSA-N 0 0 355.394 2.902 20 10 FFCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3ccc4c(c3)OCCO4)no2)cc1 ZINC001211704139 977068640 /nfs/dbraw/zinc/06/86/40/977068640.db2.gz OHOJDFNYFATQLZ-QGZVFWFLSA-N 0 0 353.378 2.656 20 10 FFCDRN CN(C)c1ccc([C@H](O)c2nc(-c3ccc4c(c3)OCCO4)no2)cc1 ZINC001211704138 977069742 /nfs/dbraw/zinc/06/97/42/977069742.db2.gz OHOJDFNYFATQLZ-KRWDZBQOSA-N 0 0 353.378 2.656 20 10 FFCDRN C[C@H]1CC=C(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000899473725 977171747 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CCNC(=O)c1cccc(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000728948865 978048621 /nfs/dbraw/zinc/04/86/21/978048621.db2.gz HYIXVQUTMHVGPN-CYBMUJFWSA-N 0 0 371.437 2.711 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC000728978102 978137965 /nfs/dbraw/zinc/13/79/65/978137965.db2.gz MFWXCCCAXBBSNU-KGLIPLIRSA-N 0 0 360.454 2.759 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2OCCC(N)=O)c1 ZINC000729036676 978164270 /nfs/dbraw/zinc/16/42/70/978164270.db2.gz ZJMLKEMBMIMPKC-GFCCVEGCSA-N 0 0 373.409 2.538 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(C)c(-n3cnnn3)c2)c1 ZINC000729037999 978165338 /nfs/dbraw/zinc/16/53/38/978165338.db2.gz WQRPLOLSXHIEER-LBPRGKRZSA-N 0 0 368.397 2.568 20 10 FFCDRN CCOc1cc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)ccc1C ZINC000729061736 978171036 /nfs/dbraw/zinc/17/10/36/978171036.db2.gz JHLXXRHJYXGYHK-CYBMUJFWSA-N 0 0 372.421 2.924 20 10 FFCDRN CN(C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1)c1ccc(N)cc1 ZINC000877078609 1014469467 /nfs/dbraw/zinc/46/94/67/1014469467.db2.gz WQYYNCSCWICBJI-INIZCTEOSA-N 0 0 367.449 2.549 20 10 FFCDRN O=C1CCCN1c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC000877116818 1014478335 /nfs/dbraw/zinc/47/83/35/1014478335.db2.gz XBTZAYJJULPEBO-UHFFFAOYSA-N 0 0 366.465 2.782 20 10 FFCDRN Cc1ccc(S(=O)(=O)C2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000877294338 1014538407 /nfs/dbraw/zinc/53/84/07/1014538407.db2.gz BMRFJIGAFKSRJO-UHFFFAOYSA-N 0 0 372.490 2.585 20 10 FFCDRN COc1ccc(N(C)CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)cc1OC ZINC000109100581 979313211 /nfs/dbraw/zinc/31/32/11/979313211.db2.gz SLNIXQRJIPBEHK-ZFWWWQNUSA-N 0 0 363.458 2.545 20 10 FFCDRN CCOCCN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000089227143 979808187 /nfs/dbraw/zinc/80/81/87/979808187.db2.gz HNNYJQMUUVUMMD-CQSZACIVSA-N 0 0 371.428 2.935 20 10 FFCDRN CN1CCc2c(NCc3ccc(N4CCC(O)CC4)cc3)cccc2C1=O ZINC000877630704 1014652983 /nfs/dbraw/zinc/65/29/83/1014652983.db2.gz KAYPBLFMDGQXPQ-UHFFFAOYSA-N 0 0 365.477 2.888 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2cccc3nc(CO)[nH]c32)C2CC2)cc1 ZINC000905954158 980548430 /nfs/dbraw/zinc/54/84/30/980548430.db2.gz APDZRLCRZQDGOZ-UHFFFAOYSA-N 0 0 364.449 2.926 20 10 FFCDRN COc1cc(O)c(CNc2ccc(CCNC(=O)N(C)C)cc2)cc1OC ZINC000877691786 1014686582 /nfs/dbraw/zinc/68/65/82/1014686582.db2.gz WQHWWLKDSKEVNR-UHFFFAOYSA-N 0 0 373.453 2.835 20 10 FFCDRN Cc1ccn2ncnc2c1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000888191129 981077711 /nfs/dbraw/zinc/07/77/11/981077711.db2.gz CLXJVXJIVULQQD-UHFFFAOYSA-N 0 0 351.410 2.944 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCN3C(=O)C3CC3)cc2)CC1 ZINC000843790506 981396481 /nfs/dbraw/zinc/39/64/81/981396481.db2.gz FLGISLJEIDKRCX-FQEVSTJZSA-N 0 0 369.509 2.940 20 10 FFCDRN COc1ccc(NC(=O)NC(=O)CN2CCCc3cc(OC)ccc32)cc1 ZINC000027579797 981553550 /nfs/dbraw/zinc/55/35/50/981553550.db2.gz GZQFJBOPWWHPLE-UHFFFAOYSA-N 0 0 369.421 2.805 20 10 FFCDRN COCn1cc(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)cn1 ZINC000910624732 982011786 /nfs/dbraw/zinc/01/17/86/982011786.db2.gz ZQGSAJVNLAQLCW-UHFFFAOYSA-N 0 0 366.421 2.888 20 10 FFCDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910949588 982097710 /nfs/dbraw/zinc/09/77/10/982097710.db2.gz LEUSCIHPTXLAJT-SECBINFHSA-N 0 0 371.359 2.893 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3nnc(-c4ccco4)o3)C2)cc1 ZINC000911275511 982187028 /nfs/dbraw/zinc/18/70/28/982187028.db2.gz HNHKNNHQVHKUTQ-ZDUSSCGKSA-N 0 0 368.393 2.595 20 10 FFCDRN COCCOc1ccc(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000760454986 982412374 /nfs/dbraw/zinc/41/23/74/982412374.db2.gz NZDHQFWAOYYTKU-AWEZNQCLSA-N 0 0 359.422 2.846 20 10 FFCDRN Oc1cc(F)c(F)cc1CN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001142512681 982474642 /nfs/dbraw/zinc/47/46/42/982474642.db2.gz IDNRCPBHLGQKSN-AWEZNQCLSA-N 0 0 363.408 2.926 20 10 FFCDRN COC(=O)c1cc2n(n1)CCC[C@H]2NCc1cc(F)c(N(C)C)cc1F ZINC000897987926 982586076 /nfs/dbraw/zinc/58/60/76/982586076.db2.gz VZRQAGQRJWUVSD-CQSZACIVSA-N 0 0 364.396 2.639 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3ncncc3C2)cc1F ZINC000843794627 982592809 /nfs/dbraw/zinc/59/28/09/982592809.db2.gz NTERLFWLRUVAAV-OAHLLOKOSA-N 0 0 356.445 2.883 20 10 FFCDRN CO[C@@H]1CCOC[C@H]1NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000898102555 982624778 /nfs/dbraw/zinc/62/47/78/982624778.db2.gz WAFAYRVJWWMIBA-RTBURBONSA-N 0 0 361.486 2.622 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)Cc2cccnc2)cc1 ZINC000898313827 982680287 /nfs/dbraw/zinc/68/02/87/982680287.db2.gz GBHGEUDQBKTLBP-INIZCTEOSA-N 0 0 356.470 2.799 20 10 FFCDRN Cc1cc(C(=O)N(C)Cc2ccccc2O)nn1-c1nc(C)cc(C)n1 ZINC000763908979 983917918 /nfs/dbraw/zinc/91/79/18/983917918.db2.gz GRXRIMDFZVYIPO-UHFFFAOYSA-N 0 0 351.410 2.565 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@@H]2CCCN(C)C2=O)cc1 ZINC000912109088 983959040 /nfs/dbraw/zinc/95/90/40/983959040.db2.gz DGJYFYMIDCCELS-OAHLLOKOSA-N 0 0 371.403 2.512 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc([N+](=O)[O-])n[nH]2)cc1 ZINC000912109244 983959212 /nfs/dbraw/zinc/95/92/12/983959212.db2.gz GGKNDYMXMZCSAN-UHFFFAOYSA-N 0 0 371.319 2.589 20 10 FFCDRN Cc1cc(CCNC(=O)Cn2cc([N+](=O)[O-])cn2)c(C)n1-c1ccccc1 ZINC000912997309 984164824 /nfs/dbraw/zinc/16/48/24/984164824.db2.gz JHRYZJCZZSNDMA-UHFFFAOYSA-N 0 0 367.409 2.558 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC([C@H](F)C(N)=O)CC2)cc1 ZINC000913117491 984193393 /nfs/dbraw/zinc/19/33/93/984193393.db2.gz IRLROHMBHYTECY-SFHVURJKSA-N 0 0 357.429 2.770 20 10 FFCDRN CC(C)CCn1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)nn1 ZINC000151207995 984210774 /nfs/dbraw/zinc/21/07/74/984210774.db2.gz SLTJWIJIKAZEJG-UHFFFAOYSA-N 0 0 373.526 2.807 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3OCCc4ccccc43)CC2)cc1F ZINC000151414351 984280695 /nfs/dbraw/zinc/28/06/95/984280695.db2.gz SRYVJJQBEBETII-FQEVSTJZSA-N 0 0 370.424 2.797 20 10 FFCDRN Cc1cc(/C=C2\c3cc(S(N)(=O)=O)ccc3NC2=O)c(C)n1CC(C)C ZINC000055040453 984315481 /nfs/dbraw/zinc/31/54/81/984315481.db2.gz OXCIEBUNQLNTHG-CAOOACKPSA-N 0 0 373.478 2.901 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c(Cl)nc4ccccn43)CC2)cc1 ZINC000044843449 984344741 /nfs/dbraw/zinc/34/47/41/984344741.db2.gz MQWZTZCNGUEJKX-UHFFFAOYSA-N 0 0 370.840 2.959 20 10 FFCDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000156575664 984344941 /nfs/dbraw/zinc/34/49/41/984344941.db2.gz MBUFZJPDTRFWCU-UHFFFAOYSA-N 0 0 365.433 2.802 20 10 FFCDRN Cc1nccn1-c1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cn1 ZINC000056345133 984431231 /nfs/dbraw/zinc/43/12/31/984431231.db2.gz PVXMQUVGJNRNNH-UHFFFAOYSA-N 0 0 364.453 2.641 20 10 FFCDRN CCOC(=O)c1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000056515447 984441082 /nfs/dbraw/zinc/44/10/82/984441082.db2.gz IYGBWUQYPSXPPT-UHFFFAOYSA-N 0 0 355.438 2.929 20 10 FFCDRN CN1CCCc2cc(CNC(=O)C(=O)Nc3cnc4ccccc4c3)ccc21 ZINC000057738430 984515166 /nfs/dbraw/zinc/51/51/66/984515166.db2.gz IJVLQHHUUXBRCU-UHFFFAOYSA-N 0 0 374.444 2.872 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCCOc3ncccc3Cl)ccc21 ZINC000760833210 984539079 /nfs/dbraw/zinc/53/90/79/984539079.db2.gz KOXRETBPQOBJAI-UHFFFAOYSA-N 0 0 374.872 2.996 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1Cc2ccccc2O1 ZINC000761069257 984752244 /nfs/dbraw/zinc/75/22/44/984752244.db2.gz LRICBQPNSRJDPJ-HNNXBMFYSA-N 0 0 372.808 2.814 20 10 FFCDRN O=C1N[C@@H](c2ccc(O)cc2)C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000761092860 984774938 /nfs/dbraw/zinc/77/49/38/984774938.db2.gz QSDLSMBQFZLEMY-SFHVURJKSA-N 0 0 351.406 2.786 20 10 FFCDRN C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)[C@H]2C[C@H](C)CCN2C1=O ZINC000761160102 984856461 /nfs/dbraw/zinc/85/64/61/984856461.db2.gz OQVDJGOYPCTWKD-IIDMSEBBSA-N 0 0 357.454 2.647 20 10 FFCDRN O=C([C@@H](O)CCc1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000765212234 984993447 /nfs/dbraw/zinc/99/34/47/984993447.db2.gz ZEHPHIPTRUGBSM-FPOVZHCZSA-N 0 0 369.461 2.894 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C(C)(C)CO)CC2)cc1 ZINC000765419235 985078964 /nfs/dbraw/zinc/07/89/64/985078964.db2.gz CUSARILMDOAOLZ-UHFFFAOYSA-N 0 0 355.482 2.623 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N(C)CCc3ccncc3)CC2)cc1 ZINC000170698563 985114288 /nfs/dbraw/zinc/11/42/88/985114288.db2.gz YKKOUFIHQHDSSM-UHFFFAOYSA-N 0 0 368.481 2.943 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)NCc2ccc(C3CC3)cc2)cc1 ZINC000785434448 985181882 /nfs/dbraw/zinc/18/18/82/985181882.db2.gz TZRANHAECOGNOP-UHFFFAOYSA-N 0 0 351.450 2.563 20 10 FFCDRN COc1ccc([C@@H]2NC(=O)N(Cc3ccc(N(C)C)cc3C)C2=O)cc1 ZINC000761362133 985236125 /nfs/dbraw/zinc/23/61/25/985236125.db2.gz ZGYAIVYTKDDFAU-SFHVURJKSA-N 0 0 353.422 2.863 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCCc3ccccc32)cc1 ZINC000785438985 985344894 /nfs/dbraw/zinc/34/48/94/985344894.db2.gz JKBLMNCOZRIEMI-SFHVURJKSA-N 0 0 365.477 2.605 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cccc(CO)c1 ZINC000171636118 985352326 /nfs/dbraw/zinc/35/23/26/985352326.db2.gz RFNYHHFNSSBBBS-UHFFFAOYSA-N 0 0 371.506 2.732 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cnc(-c2ccccc2)nc1 ZINC000172043642 985449417 /nfs/dbraw/zinc/44/94/17/985449417.db2.gz BDSJUTYOXWVRKC-UHFFFAOYSA-N 0 0 350.378 2.919 20 10 FFCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000062322800 985458627 /nfs/dbraw/zinc/45/86/27/985458627.db2.gz NWYGDRIAKDAFRX-UHFFFAOYSA-N 0 0 365.433 2.902 20 10 FFCDRN Cc1cc(C(=O)CN2CCN(C(=O)N(C)C)CC2)c(C)n1-c1ccccc1 ZINC000062694261 985604119 /nfs/dbraw/zinc/60/41/19/985604119.db2.gz KNZGJELIYFZZMH-UHFFFAOYSA-N 0 0 368.481 2.576 20 10 FFCDRN CNC(=O)CCOc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000878642708 1015146970 /nfs/dbraw/zinc/14/69/70/1015146970.db2.gz YNNMUBIEHIVWRC-ZDUSSCGKSA-N 0 0 357.410 2.790 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-n3cncn3)c(C)c2)c1 ZINC000173132539 985761282 /nfs/dbraw/zinc/76/12/82/985761282.db2.gz CHJXNQPEJSPFGW-CYBMUJFWSA-N 0 0 352.394 2.781 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc3c(c2)CCCN3C)ccc1-n1cncn1 ZINC000173327355 985792571 /nfs/dbraw/zinc/79/25/71/985792571.db2.gz OALOGSKBMZRAON-UHFFFAOYSA-N 0 0 361.449 2.888 20 10 FFCDRN CN(C)c1ccccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000173395802 985828266 /nfs/dbraw/zinc/82/82/66/985828266.db2.gz CRPJDUAUEQJBLR-UHFFFAOYSA-N 0 0 367.449 2.592 20 10 FFCDRN COc1cc(CNC(=O)NCc2c(O)ccc3c2CCCC3)ccc1O ZINC000173709711 985959956 /nfs/dbraw/zinc/95/99/56/985959956.db2.gz AWMSATNJULJBDJ-UHFFFAOYSA-N 0 0 356.422 2.985 20 10 FFCDRN COc1ccc(N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)cc1OC ZINC000063617270 985976435 /nfs/dbraw/zinc/97/64/35/985976435.db2.gz AHMBTOXSZCAOLM-UHFFFAOYSA-N 0 0 371.393 2.638 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCC2(c3ccccc3)CC2)cc1OC ZINC000063617239 985977766 /nfs/dbraw/zinc/97/77/66/985977766.db2.gz ZMEWJVYMAUKGSK-UHFFFAOYSA-N 0 0 354.450 2.988 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccn(-c2ccc(F)cc2F)n1 ZINC000186408249 986065855 /nfs/dbraw/zinc/06/58/55/986065855.db2.gz LCEKFWGVOXDNDJ-NSHDSACASA-N 0 0 373.359 2.923 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cn(C)nc2C(F)(F)F)c1 ZINC000151523828 986412538 /nfs/dbraw/zinc/41/25/38/986412538.db2.gz SPZPXXZOPVMPLZ-VIFPVBQESA-N 0 0 372.347 2.714 20 10 FFCDRN C[C@@H]1CN(c2cc[nH+]cc2)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001594583943 986454317 /nfs/dbraw/zinc/45/43/17/986454317.db2.gz VGFNMULHHCAWDM-PKXJPQMGSA-N 0 0 368.393 2.803 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)NC1CC(CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000992199046 986515680 /nfs/dbraw/zinc/51/56/80/986515680.db2.gz DAFWYVZVNXXUKG-RGODHZJXSA-N 0 0 371.441 2.520 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H]2COc3ccccc3O2)c1 ZINC000765908939 986856494 /nfs/dbraw/zinc/85/64/94/986856494.db2.gz NIJOMZATUMWKLI-ZFWWWQNUSA-N 0 0 372.421 2.991 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3ccc(OC)cc3C)CC2)cc1 ZINC001127276474 987296488 /nfs/dbraw/zinc/29/64/88/987296488.db2.gz JAGNVSGFKRLAKO-UHFFFAOYSA-N 0 0 354.450 2.904 20 10 FFCDRN Cc1nc([C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)no1 ZINC000914179853 987343607 /nfs/dbraw/zinc/34/36/07/987343607.db2.gz WHCISXRVZRFYMP-INIZCTEOSA-N 0 0 355.442 2.677 20 10 FFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000152538842 987353290 /nfs/dbraw/zinc/35/32/90/987353290.db2.gz WJBGQCCLJCMWQD-OAHLLOKOSA-N 0 0 361.405 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Cc1cc([C@H]2CN(Cc3cc4c(cc3O)OC[C@@H]4O)CCO2)ccc1F ZINC000768465982 1000263776 /nfs/dbraw/zinc/26/37/76/1000263776.db2.gz UWUTZPUWEXRYFL-AZUAARDMSA-N 0 0 359.397 2.839 20 10 FFCDRN CN(Cc1nccn1Cc1ccccc1)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768466551 1000265084 /nfs/dbraw/zinc/26/50/84/1000265084.db2.gz SADBCHQSOOQLHU-IBGZPJMESA-N 0 0 365.433 2.695 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CCCC[C@H]2Cc2ccccc2F)cc1 ZINC000846323231 1000268751 /nfs/dbraw/zinc/26/87/51/1000268751.db2.gz PRACWXFLHUBQGW-KRWDZBQOSA-N 0 0 355.413 2.970 20 10 FFCDRN COC(=O)[C@@H](CCF)NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000846432106 1000290924 /nfs/dbraw/zinc/29/09/24/1000290924.db2.gz LSNBXSMEQJXMPU-QGZVFWFLSA-N 0 0 362.401 2.734 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Cc2ccc3n[nH]cc3c2)cc1 ZINC000846442146 1000313063 /nfs/dbraw/zinc/31/30/63/1000313063.db2.gz KLKYHGZSQDBDEX-UHFFFAOYSA-N 0 0 352.438 2.709 20 10 FFCDRN COc1ccc(NC(=O)[C@H]2CCCN2Cc2cc3c(cc2O)OCO3)cc1 ZINC000768870749 1000371438 /nfs/dbraw/zinc/37/14/38/1000371438.db2.gz CRBNEYTYIOUJKI-MRXNPFEDSA-N 0 0 370.405 2.733 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)[N-]OC2CC[NH+](C)CC2)CCCC1 ZINC000846651320 1000400028 /nfs/dbraw/zinc/40/00/28/1000400028.db2.gz RCQBIZKYBKLBEK-UHFFFAOYSA-N 0 0 371.481 2.671 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000769119060 1000437885 /nfs/dbraw/zinc/43/78/85/1000437885.db2.gz HSKUHVYEOHDVNR-SFHVURJKSA-N 0 0 371.481 2.590 20 10 FFCDRN C/C(=C\c1ccco1)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000846829634 1000439359 /nfs/dbraw/zinc/43/93/59/1000439359.db2.gz SVBBWXYSZWCKRT-OKACTXMXSA-N 0 0 367.449 2.701 20 10 FFCDRN O=C(NCc1ccccc1O)c1ccc(C(=O)NCc2ccccc2O)o1 ZINC000769362779 1000500716 /nfs/dbraw/zinc/50/07/16/1000500716.db2.gz KALRHUKUQQEMJV-UHFFFAOYSA-N 0 0 366.373 2.551 20 10 FFCDRN CN(CC(=O)N1CCC2(CC1)OCCO2)c1ccc(-c2nccs2)cc1 ZINC000846990885 1000506534 /nfs/dbraw/zinc/50/65/34/1000506534.db2.gz CTZIPQLIBDJHNX-UHFFFAOYSA-N 0 0 373.478 2.612 20 10 FFCDRN COc1cccc(O)c1C[N@@H+]1CCc2c(cccc2N2CCOC2=O)C1 ZINC000769501798 1000535246 /nfs/dbraw/zinc/53/52/46/1000535246.db2.gz BWCUDLSCFWJNLN-UHFFFAOYSA-N 0 0 354.406 2.916 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(OCCc2ccccc2)CC1 ZINC001146298322 1000653737 /nfs/dbraw/zinc/65/37/37/1000653737.db2.gz CAMPXYLSTGWHKV-UHFFFAOYSA-N 0 0 355.434 2.891 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cccc([S@@](C)=O)c3)CC2)cc1 ZINC000770220196 1000705918 /nfs/dbraw/zinc/70/59/18/1000705918.db2.gz FPKSOOMIXIKJIW-AREMUKBSSA-N 0 0 372.490 2.785 20 10 FFCDRN CCOc1ccc(CN(C)CC(=O)Nc2cc(OC)cc(OC)c2)c(O)c1 ZINC000770279850 1000726143 /nfs/dbraw/zinc/72/61/43/1000726143.db2.gz DAJCMXSAIQSDSM-UHFFFAOYSA-N 0 0 374.437 2.879 20 10 FFCDRN Cn1c(Cl)cnc1-c1csc(NC(=O)c2cccc(O)c2O)n1 ZINC001147242655 1000865110 /nfs/dbraw/zinc/86/51/10/1000865110.db2.gz VJGBVEHCTSBNHX-UHFFFAOYSA-N 0 0 350.787 2.861 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2nn(C(C)C)c(=O)c3ccccc32)c1 ZINC001147956387 1001014577 /nfs/dbraw/zinc/01/45/77/1001014577.db2.gz CSEYUCXICTZKTC-UHFFFAOYSA-N 0 0 351.406 2.921 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3ccc(F)cc3C)CC2)cc1 ZINC000771249732 1001050864 /nfs/dbraw/zinc/05/08/64/1001050864.db2.gz GBPULKFBGQGDKB-UHFFFAOYSA-N 0 0 371.456 2.695 20 10 FFCDRN C[C@@H](c1ccccc1)[C@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000771423817 1001096041 /nfs/dbraw/zinc/09/60/41/1001096041.db2.gz TXFBILQSJBLOIE-KSSFIOAISA-N 0 0 359.445 2.856 20 10 FFCDRN Cc1ccc(-c2nnn(CC(=O)N[C@H](C)c3ccc(N(C)C)cc3)n2)cc1 ZINC000772995412 1001221190 /nfs/dbraw/zinc/22/11/90/1001221190.db2.gz BILHEOPDNHMEMH-OAHLLOKOSA-N 0 0 364.453 2.592 20 10 FFCDRN CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1O ZINC000772178851 1001312298 /nfs/dbraw/zinc/31/22/98/1001312298.db2.gz QUJIUWHZGNSAIW-INIZCTEOSA-N 0 0 363.414 2.852 20 10 FFCDRN C[C@H](NC(=O)[C@H](C)n1nnc(-c2ccccc2)n1)c1ccc(N(C)C)cc1 ZINC000772998778 1001322505 /nfs/dbraw/zinc/32/25/05/1001322505.db2.gz KICHFJPWOKSLNZ-GJZGRUSLSA-N 0 0 364.453 2.845 20 10 FFCDRN CC1(C)CCC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000772318260 1001357098 /nfs/dbraw/zinc/35/70/98/1001357098.db2.gz LMPJNTGTFLAHPV-SJLPKXTDSA-N 0 0 357.498 2.831 20 10 FFCDRN COCCOc1cccc(CC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000772453282 1001385434 /nfs/dbraw/zinc/38/54/34/1001385434.db2.gz OJANDIGQTKUBFC-AWEZNQCLSA-N 0 0 359.422 2.846 20 10 FFCDRN COc1cccc(C[C@@H](O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000785518052 1001447696 /nfs/dbraw/zinc/44/76/96/1001447696.db2.gz MZXRWICZCVNOCD-HXUWFJFHSA-N 0 0 354.450 2.515 20 10 FFCDRN COc1cccc(C[C@@H](O)C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000785555634 1001452900 /nfs/dbraw/zinc/45/29/00/1001452900.db2.gz PLNCKUUQXJTXDQ-OAQYLSRUSA-N 0 0 368.477 2.905 20 10 FFCDRN Cc1cc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC000785707631 1001476098 /nfs/dbraw/zinc/47/60/98/1001476098.db2.gz CPEJWTSWFZWNIJ-CQSZACIVSA-N 0 0 357.429 2.694 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCC(C)(C)C3)cc2)CC1 ZINC000786258953 1001557414 /nfs/dbraw/zinc/55/74/14/1001557414.db2.gz JBGWMZPSHIRDLR-GOSISDBHSA-N 0 0 357.498 2.798 20 10 FFCDRN C[C@H](NC(=O)c1ccc2n[nH]cc2c1)c1ccc(N2CCOCC2)cc1 ZINC000746592208 1001606441 /nfs/dbraw/zinc/60/64/41/1001606441.db2.gz PKOGBHUZKSHWEW-AWEZNQCLSA-N 0 0 350.422 2.891 20 10 FFCDRN Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000786726073 1001620490 /nfs/dbraw/zinc/62/04/90/1001620490.db2.gz VBLGUERPTSFNHW-MRXNPFEDSA-N 0 0 353.466 2.863 20 10 FFCDRN COc1cccc([C@H](C)NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000786761737 1001624087 /nfs/dbraw/zinc/62/40/87/1001624087.db2.gz QLWIHWARSDCFRN-GJZGRUSLSA-N 0 0 369.465 2.816 20 10 FFCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NCCNC(N)=O)cc1 ZINC000772696498 1001668814 /nfs/dbraw/zinc/66/88/14/1001668814.db2.gz HIILTSOAOGFGKD-UHFFFAOYSA-N 0 0 354.414 2.566 20 10 FFCDRN CCOc1cccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000787215664 1001673484 /nfs/dbraw/zinc/67/34/84/1001673484.db2.gz UDGXLWIAPWYDMU-HNNXBMFYSA-N 0 0 369.465 2.645 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccc(C)o1 ZINC000787917307 1001730530 /nfs/dbraw/zinc/73/05/30/1001730530.db2.gz JTZBALRFWUVVHH-UHFFFAOYSA-N 0 0 358.438 2.781 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NC[C@@H]3Cc4ccccc4O3)ccc21 ZINC000746718846 1001739665 /nfs/dbraw/zinc/73/96/65/1001739665.db2.gz NMUMSMXQJKXWIW-SFHVURJKSA-N 0 0 351.450 2.872 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000788669312 1001845639 /nfs/dbraw/zinc/84/56/39/1001845639.db2.gz YZRQWRXZBMABAL-ABAIWWIYSA-N 0 0 372.387 2.842 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@H](C)c1ccccc1 ZINC000774359771 1001872015 /nfs/dbraw/zinc/87/20/15/1001872015.db2.gz JOWNYLYAQOORNT-MRXNPFEDSA-N 0 0 353.466 2.897 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(F)cc2)cc1 ZINC000788929598 1001910733 /nfs/dbraw/zinc/91/07/33/1001910733.db2.gz WURXHKZUZAFFEC-UHFFFAOYSA-N 0 0 371.456 2.947 20 10 FFCDRN CCCCCCNC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000774521560 1001956914 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/nfs/dbraw/zinc/45/59/21/1002455921.db2.gz NPARDRJCYXWNHV-NRFANRHFSA-N 0 0 366.417 2.780 20 10 FFCDRN CN(Cc1cc2c(cc1OC(F)F)OCO2)C(=O)c1cccc(O)c1O ZINC000790769735 1002483067 /nfs/dbraw/zinc/48/30/67/1002483067.db2.gz XOLQNUNQGKQJEK-UHFFFAOYSA-N 0 0 367.304 2.700 20 10 FFCDRN Cc1cc(C(=O)COC(=O)c2n[nH]nc2C)c(C)n1-c1ccc(C)cc1 ZINC000791047786 1002559444 /nfs/dbraw/zinc/55/94/44/1002559444.db2.gz FLEODZRUXXDJHN-UHFFFAOYSA-N 0 0 352.394 2.869 20 10 FFCDRN Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N(C)C[C@H]3CC3(C)C)cc12 ZINC001184359346 1002566425 /nfs/dbraw/zinc/56/64/25/1002566425.db2.gz NQNWJVRNCRZOSE-OAHLLOKOSA-N 0 0 372.465 2.743 20 10 FFCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)Nc3ccccc3O)cc12 ZINC001184359827 1002566968 /nfs/dbraw/zinc/56/69/68/1002566968.db2.gz BCGQECYPMSOOGX-UHFFFAOYSA-N 0 0 368.389 2.583 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N[C@H](c1ccccc1)C1CC1 ZINC000772770845 1002628773 /nfs/dbraw/zinc/62/87/73/1002628773.db2.gz VFVJCTRUPNNMQK-FTUXVVSKSA-N 0 0 367.401 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/nfs/dbraw/zinc/26/22/72/1049262272.db2.gz NDKUWTBWIUSSQQ-UHFFFAOYSA-N 0 0 355.438 2.650 20 10 FFCDRN O=C(C(=O)N1CCCC2(CC2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC001330899157 1049383307 /nfs/dbraw/zinc/38/33/07/1049383307.db2.gz VVOKZCHIHJQWMM-UHFFFAOYSA-N 0 0 368.433 2.917 20 10 FFCDRN CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1[C@@H]1C[C@H]1C ZINC001292832655 1049408831 /nfs/dbraw/zinc/40/88/31/1049408831.db2.gz GYFQVVBJQOEKKY-CRAIPNDOSA-N 0 0 355.486 2.894 20 10 FFCDRN CC(C)[C@](C)(O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001541296951 1071070275 /nfs/dbraw/zinc/07/02/75/1071070275.db2.gz LLKWEDHEICLAII-OXJNMPFZSA-N 0 0 374.485 2.531 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C)c(F)c1 ZINC001334682579 1049523686 /nfs/dbraw/zinc/52/36/86/1049523686.db2.gz MIOYAWVCJZKOQY-UHFFFAOYSA-N 0 0 358.413 2.895 20 10 FFCDRN C[C@@H]1C[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C(=O)N1c1ccccc1 ZINC001294050564 1049677322 /nfs/dbraw/zinc/67/73/22/1049677322.db2.gz MJBGMSFBFIIATB-WBMJQRKESA-N 0 0 365.393 2.773 20 10 FFCDRN COc1cccc(-c2noc([C@@H](C)NC(=O)Cc3ccc(O)c(O)c3)n2)c1 ZINC001294220842 1049712908 /nfs/dbraw/zinc/71/29/08/1049712908.db2.gz LAJZITUWHCWHEL-LLVKDONJSA-N 0 0 369.377 2.576 20 10 FFCDRN C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000741911502 1049766800 /nfs/dbraw/zinc/76/68/00/1049766800.db2.gz ROTMAHPBJIJVER-HNNXBMFYSA-N 0 0 369.421 2.851 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@H]3Cc4ccccc4O3)CC2)cc1F ZINC001294824857 1049813941 /nfs/dbraw/zinc/81/39/41/1049813941.db2.gz PHOCKPZFZIYWRC-QGZVFWFLSA-N 0 0 370.424 2.877 20 10 FFCDRN CC[C@@H](C(=O)NCc1c(O)ccc2c1CCCC2)N1CCO[C@@H](CC)C1 ZINC001294870589 1049824170 /nfs/dbraw/zinc/82/41/70/1049824170.db2.gz XXXLUHXTWNRENK-LPHOPBHVSA-N 0 0 360.498 2.777 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(-n3ccnn3)ccc2F)c1 ZINC001294937820 1049845094 /nfs/dbraw/zinc/84/50/94/1049845094.db2.gz UMQDUKVXTHUWBY-NSHDSACASA-N 0 0 356.357 2.612 20 10 FFCDRN CS(=O)(=O)CCc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001295249216 1049909522 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CCN(CC)c1ccc(CN(C)c2nnc(C[C@H](O)C3CC3)n2C)cc1 ZINC001341834611 1050447322 /nfs/dbraw/zinc/44/73/22/1050447322.db2.gz UVJSCHALAIZBRF-SFHVURJKSA-N 0 0 357.502 2.611 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)cc1 ZINC001542089262 1071167302 /nfs/dbraw/zinc/16/73/02/1071167302.db2.gz IFAAVLZENIHYDC-IBGZPJMESA-N 0 0 355.486 2.953 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c2nc[nH]c2ccc1F ZINC001542113369 1071173287 /nfs/dbraw/zinc/17/32/87/1071173287.db2.gz WCRRGTQHAGIBIO-UHFFFAOYSA-N 0 0 372.375 2.608 20 10 FFCDRN Cc1cc(C(=O)NN2C(=O)[C@@H](C)N(C)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC001301136288 1050820242 /nfs/dbraw/zinc/82/02/42/1050820242.db2.gz SUROLZWJXQZUOJ-OAHLLOKOSA-N 0 0 368.437 2.638 20 10 FFCDRN CC(C)(C)OC(=O)Nc1cc(C(=O)NCc2c(O)cccc2O)ccn1 ZINC001304053379 1051515094 /nfs/dbraw/zinc/51/50/94/1051515094.db2.gz JNZIAALNHDPPHY-UHFFFAOYSA-N 0 0 359.382 2.770 20 10 FFCDRN C[C@@]1(C(=O)NCc2c(O)cccc2O)CC(c2ccccc2Cl)=NO1 ZINC001304053374 1051515371 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CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCC2=C(CCC(=O)N2)C1 ZINC001343025335 1051642216 /nfs/dbraw/zinc/64/22/16/1051642216.db2.gz HOGNMXUGPRFKKL-UHFFFAOYSA-N 0 0 373.482 2.742 20 10 FFCDRN CCc1nnc(N2C[C@@H](C)O[C@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001306106838 1052021389 /nfs/dbraw/zinc/02/13/89/1052021389.db2.gz ALCBJBBPUJESSU-HZPDHXFCSA-N 0 0 357.502 2.877 20 10 FFCDRN CCc1nnc(N2CCO[C@H](CC)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001306221548 1052071485 /nfs/dbraw/zinc/07/14/85/1052071485.db2.gz OIYYQDXSLBVMJF-OAHLLOKOSA-N 0 0 361.465 2.709 20 10 FFCDRN CCc1nnc(N2CC[C@@H](OC)C2)n1CCCSc1nccs1 ZINC001306226776 1052076147 /nfs/dbraw/zinc/07/61/47/1052076147.db2.gz YFKCMHHHBPJVKN-GFCCVEGCSA-N 0 0 353.517 2.705 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3C)CC2)cc1 ZINC000751048445 1052164751 /nfs/dbraw/zinc/16/47/51/1052164751.db2.gz FMVDVUDDPCYINY-UHFFFAOYSA-N 0 0 355.394 2.874 20 10 FFCDRN Cc1cc(CC(=O)O[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC001343385537 1052198501 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CC(C)[NH+]1CCC(N2CCN(Cc3cc(F)cc(F)c3[O-])CC2)CC1 ZINC001308608283 1052475962 /nfs/dbraw/zinc/47/59/62/1052475962.db2.gz UULBRKHJWOUHFK-UHFFFAOYSA-N 0 0 353.457 2.661 20 10 FFCDRN [O-]c1c(C[NH2+]C[C@H]2CC(c3ccc4c(c3)CCO4)=NO2)ccc(F)c1F ZINC001308925071 1052520219 /nfs/dbraw/zinc/52/02/19/1052520219.db2.gz ZMKMVROEXPCGLD-CQSZACIVSA-N 0 0 360.360 2.888 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c[nH]c3ncncc23)cc1 ZINC001309036874 1052543340 /nfs/dbraw/zinc/54/33/40/1052543340.db2.gz PFAGGERAQXDTGU-UHFFFAOYSA-N 0 0 373.482 2.576 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@@]1([C@H]2CCCCO2)CCCO1 ZINC001345942634 1052680882 /nfs/dbraw/zinc/68/08/82/1052680882.db2.gz SWYVTLZHVDGFHW-CJNGLKHVSA-N 0 0 356.513 2.860 20 10 FFCDRN CN(CC(F)(F)F)c1nnc(C2SC=CC2=O)n1C[C@H]1CCOC1 ZINC001344469718 1052787081 /nfs/dbraw/zinc/78/70/81/1052787081.db2.gz MDKPSZCLRKOVKH-SECBINFHSA-N 0 0 362.377 2.747 20 10 FFCDRN CC[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1 ZINC001344779698 1052924891 /nfs/dbraw/zinc/92/48/91/1052924891.db2.gz TZSXRPZXNWDFFQ-JKSUJKDBSA-N 0 0 360.458 2.633 20 10 FFCDRN COC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc(OC)c(OC)c1O)C2 ZINC001335552234 1053430236 /nfs/dbraw/zinc/43/02/36/1053430236.db2.gz QDLBLJPLBPKGGQ-UHFFFAOYSA-N 0 0 357.406 2.754 20 10 FFCDRN CO[C@H](c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1)C1CC1 ZINC001346944091 1053467741 /nfs/dbraw/zinc/46/77/41/1053467741.db2.gz AVNBBXFWNXZNFN-KDOFPFPSSA-N 0 0 372.469 2.754 20 10 FFCDRN Nc1ccc(CNC(=O)NCc2cccc(OCC(F)(F)F)n2)cc1 ZINC001335687792 1053506382 /nfs/dbraw/zinc/50/63/82/1053506382.db2.gz WXSWHORBHZWDJS-UHFFFAOYSA-N 0 0 354.332 2.604 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)c1ccccc1OC ZINC001336111163 1053776165 /nfs/dbraw/zinc/77/61/65/1053776165.db2.gz VNQDZMCYEYPNCP-MRXNPFEDSA-N 0 0 356.422 2.627 20 10 FFCDRN CCC/C=C\[C@H](O)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001543233523 1071422614 /nfs/dbraw/zinc/42/26/14/1071422614.db2.gz NVJCHTHKXMLDFN-RSRKSRIVSA-N 0 0 364.461 2.773 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC2(CC1)OCCN2C(=O)C1=CC(=O)CS1 ZINC001336196263 1053833330 /nfs/dbraw/zinc/83/33/30/1053833330.db2.gz AOTZFBOIQWIWJJ-UHFFFAOYSA-N 0 0 368.455 2.653 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)Cc2ccn(C)n2)c1 ZINC001336296327 1053907158 /nfs/dbraw/zinc/90/71/58/1053907158.db2.gz CXNJSIRSJPIBDL-UHFFFAOYSA-N 0 0 350.422 2.912 20 10 FFCDRN COc1ccc([C@H](C)CCNC(=O)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001336385855 1053959765 /nfs/dbraw/zinc/95/97/65/1053959765.db2.gz GHAIDKJHQRFRJH-CQSZACIVSA-N 0 0 368.433 2.553 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCC[C@@H](n3ccnn3)C2)n1CC1CC1 ZINC001348190942 1054734912 /nfs/dbraw/zinc/73/49/12/1054734912.db2.gz GUAWKTDOHHQUNP-CYBMUJFWSA-N 0 0 371.470 2.555 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCc3ccnc(N(C)C)c3C2)cc1F ZINC001348496156 1054741898 /nfs/dbraw/zinc/74/18/98/1054741898.db2.gz TYCMLCWIGJNYHD-UHFFFAOYSA-N 0 0 371.460 2.621 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(F)c(N)c1 ZINC001348532139 1054767991 /nfs/dbraw/zinc/76/79/91/1054767991.db2.gz MRIDPKPLTSBYOJ-UHFFFAOYSA-N 0 0 358.417 2.908 20 10 FFCDRN CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)nn1C ZINC001337548580 1054837826 /nfs/dbraw/zinc/83/78/26/1054837826.db2.gz NDLVCYWLJFIPGB-LJQANCHMSA-N 0 0 370.497 2.870 20 10 FFCDRN CC(=O)N1CCC[C@@H]1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001543594596 1071505179 /nfs/dbraw/zinc/50/51/79/1071505179.db2.gz UWHQCWYVTQFCDW-HXUWFJFHSA-N 0 0 353.466 2.764 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c(Cl)n1 ZINC001337696208 1054950811 /nfs/dbraw/zinc/95/08/11/1054950811.db2.gz UGWHRQDVLAKNAD-UHFFFAOYSA-N 0 0 360.845 2.707 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(F)ccc3OC)CC2)c(OC)c1 ZINC001543632387 1071511674 /nfs/dbraw/zinc/51/16/74/1071511674.db2.gz LVOVBDVYKZUPTP-UHFFFAOYSA-N 0 0 374.412 2.814 20 10 FFCDRN Cc1ccc(/C=C\C(=O)N2CCCc3c2cccc3S(C)(=O)=O)cn1 ZINC001337735337 1054978583 /nfs/dbraw/zinc/97/85/83/1054978583.db2.gz NQXRJHWBPOIOTM-KHPPLWFESA-N 0 0 356.447 2.786 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC001351828032 1055022226 /nfs/dbraw/zinc/02/22/26/1055022226.db2.gz UXYKEVRMUCFHDA-AWEZNQCLSA-N 0 0 372.387 2.932 20 10 FFCDRN CCOc1ccc(OC(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC001337842725 1055055015 /nfs/dbraw/zinc/05/50/15/1055055015.db2.gz MWBWUWPJXXCBRO-ONNFQVAWSA-N 0 0 358.346 2.659 20 10 FFCDRN CC(C)[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)NC(=O)OC(C)(C)C ZINC001349330041 1055193534 /nfs/dbraw/zinc/19/35/34/1055193534.db2.gz FFVZSQVZDKTWRT-OAHLLOKOSA-N 0 0 363.458 2.967 20 10 FFCDRN C[C@H](NC(=O)NC1(C2CC2)CCOCC1)c1ccc(N2CCOCC2)cc1 ZINC001338073401 1055208597 /nfs/dbraw/zinc/20/85/97/1055208597.db2.gz VYOQSONUTBCGET-INIZCTEOSA-N 0 0 373.497 2.843 20 10 FFCDRN C[C@@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)N1CCc2ccccc21 ZINC000848871839 1055276652 /nfs/dbraw/zinc/27/66/52/1055276652.db2.gz ROEARQGHUOCSNA-ZDUSSCGKSA-N 0 0 355.390 2.665 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)C3(c4cc(C)no4)CC3)CC2)cc1 ZINC001352215942 1055281184 /nfs/dbraw/zinc/28/11/84/1055281184.db2.gz FTHHYMWLVJNEQP-UHFFFAOYSA-N 0 0 355.438 2.762 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(C)c(C)c1 ZINC001338287735 1055388086 /nfs/dbraw/zinc/38/80/86/1055388086.db2.gz MPGYCIJUUYNYKB-KRWDZBQOSA-N 0 0 371.433 2.548 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2Cc3ccccc3NC(=O)C2)cc1F ZINC000847303185 1055428053 /nfs/dbraw/zinc/42/80/53/1055428053.db2.gz QPJKVEXYVCYIOY-UHFFFAOYSA-N 0 0 356.401 2.556 20 10 FFCDRN CC(C)c1ncsc1NC(=O)C(=O)NCc1cccc(Cl)c1O ZINC001338714658 1055753470 /nfs/dbraw/zinc/75/34/70/1055753470.db2.gz ZIEUNHDEZVLUPP-UHFFFAOYSA-N 0 0 353.831 2.880 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc(-c3ccncc3)nn2C)cc1F ZINC001357200629 1055819366 /nfs/dbraw/zinc/81/93/66/1055819366.db2.gz MVBFJUDMTRKYPV-UHFFFAOYSA-N 0 0 353.401 2.617 20 10 FFCDRN CCOC(=O)CCNC(=S)NCc1cc(Cl)c2cccnc2c1O ZINC001200179124 1055957431 /nfs/dbraw/zinc/95/74/31/1055957431.db2.gz XMKJLKMKIZPBAD-UHFFFAOYSA-N 0 0 367.858 2.511 20 10 FFCDRN O=C(Nc1ccc(NC(=O)C2=S=CC=C2)cc1)c1cc2n(n1)CCCC2 ZINC001358200310 1056190480 /nfs/dbraw/zinc/19/04/80/1056190480.db2.gz XEDZFSILNNQJJL-UHFFFAOYSA-N 0 0 366.446 2.688 20 10 FFCDRN COC1CCN(c2nnc(C3SC=CC3=O)n2C[C@H]2CCCO2)CC1 ZINC001358234869 1056208002 /nfs/dbraw/zinc/20/80/02/1056208002.db2.gz IALXDTDFYRQUAZ-CYBMUJFWSA-N 0 0 364.471 2.506 20 10 FFCDRN CCn1c(C(F)F)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001339341511 1056347904 /nfs/dbraw/zinc/34/79/04/1056347904.db2.gz UFLWKXRMYLQXSL-UHFFFAOYSA-N 0 0 351.401 2.961 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC001300301017 1056414453 /nfs/dbraw/zinc/41/44/53/1056414453.db2.gz NNNQMGSYXMTUHY-FUHWJXTLSA-N 0 0 367.449 2.973 20 10 FFCDRN CCC/C=C\[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001544529280 1071655927 /nfs/dbraw/zinc/65/59/27/1071655927.db2.gz BYDOLRNSUUYWNP-WTGAGXSVSA-N 0 0 360.498 2.977 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c4c(ccc3F)OCO4)CC2)cc1 ZINC001544743034 1071685626 /nfs/dbraw/zinc/68/56/26/1071685626.db2.gz APRINWODBXHWBO-UHFFFAOYSA-N 0 0 358.369 2.525 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CC(=O)N(C(C)C)C1=O ZINC001545128299 1071737287 /nfs/dbraw/zinc/73/72/87/1071737287.db2.gz GYXNFTMKGQYRTQ-KRWDZBQOSA-N 0 0 367.449 2.668 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCN(C)[C@@H](C)C2)CCCC1 ZINC001444056854 1058264713 /nfs/dbraw/zinc/26/47/13/1058264713.db2.gz DEGHXWUQEQGZIO-HNNXBMFYSA-N 0 0 355.482 2.691 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H]1COC(C)(C)O1 ZINC001545380717 1071774828 /nfs/dbraw/zinc/77/48/28/1071774828.db2.gz ZARDARWPCUYUOI-INIZCTEOSA-N 0 0 356.422 2.788 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(CO)n1CC1CC1 ZINC001518299283 1058334869 /nfs/dbraw/zinc/33/48/69/1058334869.db2.gz MHCKGBIQDNMSMI-UHFFFAOYSA-N 0 0 355.486 2.807 20 10 FFCDRN COC(=O)c1ccc(C(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC001518385006 1058366349 /nfs/dbraw/zinc/36/63/49/1058366349.db2.gz CCRNFYBYGWJVQP-CYBMUJFWSA-N 0 0 359.378 2.758 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(Cl)n1 ZINC001354012468 1058492298 /nfs/dbraw/zinc/49/22/98/1058492298.db2.gz SQTBBVKEQGIQAH-LBPRGKRZSA-N 0 0 360.845 2.925 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c4nc[nH]c4ccc3F)CC2)cc1 ZINC001545556820 1071799883 /nfs/dbraw/zinc/79/98/83/1071799883.db2.gz ZISAZFITONRKQM-UHFFFAOYSA-N 0 0 354.385 2.673 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1-n1cccn1 ZINC001447566171 1058670952 /nfs/dbraw/zinc/67/09/52/1058670952.db2.gz WQLQHOGNCIHZFF-AWEZNQCLSA-N 0 0 351.406 2.953 20 10 FFCDRN CCOC(=O)C[C@@H](C)NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001447685615 1058688192 /nfs/dbraw/zinc/68/81/92/1058688192.db2.gz IBMKJSRNGVXFFU-CQSZACIVSA-N 0 0 372.465 2.987 20 10 FFCDRN COC(=O)N1CC(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC001448001322 1058727915 /nfs/dbraw/zinc/72/79/15/1058727915.db2.gz GKUSBRIEMUSOCK-UHFFFAOYSA-N 0 0 355.438 2.891 20 10 FFCDRN Cc1cc(CC(=O)Nc2nc(C(N)=O)cs2)c(C)n1-c1ccccc1 ZINC001354263422 1058784587 /nfs/dbraw/zinc/78/45/87/1058784587.db2.gz JZAQFGZGCGYGFT-UHFFFAOYSA-N 0 0 354.435 2.831 20 10 FFCDRN C[C@@](O)(C(=O)NCc1cccc(Br)c1O)c1ccccc1 ZINC001448968239 1058845225 /nfs/dbraw/zinc/84/52/25/1058845225.db2.gz VBAOJEHRJWWDIM-INIZCTEOSA-N 0 0 350.212 2.679 20 10 FFCDRN Cc1c(Br)c(C(=O)NCc2ccc(N(C)C)c(F)c2)nn1C ZINC001354508188 1059085277 /nfs/dbraw/zinc/08/52/77/1059085277.db2.gz OWTQHGFLNIHXDF-UHFFFAOYSA-N 0 0 369.238 2.626 20 10 FFCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@@H]3CC34CCS(=O)(=O)CC4)cc12 ZINC001514842680 1059122873 /nfs/dbraw/zinc/12/28/73/1059122873.db2.gz JISFEMNEVLHHHY-INIZCTEOSA-N 0 0 361.463 2.915 20 10 FFCDRN Cn1cc(-c2nc(C(=O)NCc3ccc4cccnc4c3O)cs2)cn1 ZINC001451955538 1059168585 /nfs/dbraw/zinc/16/85/85/1059168585.db2.gz QLGKGLUFBCTLKB-UHFFFAOYSA-N 0 0 365.418 2.727 20 10 FFCDRN COc1ccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC001354687034 1059364324 /nfs/dbraw/zinc/36/43/24/1059364324.db2.gz BTEBQPWOTKVBEN-UHFFFAOYSA-N 0 0 372.440 2.838 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[NH2+][C@H](Cc2ccccc2)C1 ZINC001454586570 1059574034 /nfs/dbraw/zinc/57/40/34/1059574034.db2.gz YKIKQZCKCDFVFB-OAHLLOKOSA-N 0 0 368.458 2.969 20 10 FFCDRN COc1ccc(-n2nnc(C(=O)N[C@H](C)c3ccccc3O)c2C)cc1 ZINC001454806767 1059628577 /nfs/dbraw/zinc/62/85/77/1059628577.db2.gz NGLBAKLYQHWHLC-GFCCVEGCSA-N 0 0 352.394 2.781 20 10 FFCDRN Cc1noc(COc2ccc(C(=O)N[C@H](C)c3ccccc3O)cn2)n1 ZINC001454802590 1059628802 /nfs/dbraw/zinc/62/88/02/1059628802.db2.gz BCUJEPGEKZXMRS-LLVKDONJSA-N 0 0 354.366 2.549 20 10 FFCDRN CC[C@H]1[C@H](C(=O)NCc2cc(O)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001455350495 1059766487 /nfs/dbraw/zinc/76/64/87/1059766487.db2.gz CALKWGLNQLHDNF-CABCVRRESA-N 0 0 364.442 2.750 20 10 FFCDRN CCCN(C)c1nnc(C(=O)NC(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001547081209 1071910770 /nfs/dbraw/zinc/91/07/70/1071910770.db2.gz LWNFVBGYUUKWSM-UHFFFAOYSA-N 0 0 372.517 2.685 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2cncc(O)c2)cc1 ZINC000848371458 1059891932 /nfs/dbraw/zinc/89/19/32/1059891932.db2.gz WCDIIHLQFZTNDY-HXUWFJFHSA-N 0 0 369.465 2.604 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCOC2CCOCC2)c1 ZINC001355137363 1059922395 /nfs/dbraw/zinc/92/23/95/1059922395.db2.gz DQRSVKZKCDPZOI-UHFFFAOYSA-N 0 0 370.449 2.832 20 10 FFCDRN COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001455840628 1059932002 /nfs/dbraw/zinc/93/20/02/1059932002.db2.gz QVNMMTJOCVTOTE-HNNXBMFYSA-N 0 0 372.356 2.502 20 10 FFCDRN COc1ccc2c(n1)N(C)CCN2C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001455936718 1059957657 /nfs/dbraw/zinc/95/76/57/1059957657.db2.gz BKQLKRBBHSICOI-UHFFFAOYSA-N 0 0 371.418 2.813 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC[C@H]1[C@@H]1CCCO1 ZINC001520767504 1060054938 /nfs/dbraw/zinc/05/49/38/1060054938.db2.gz PRZQTZQBKNKARV-PMACEKPBSA-N 0 0 373.497 2.766 20 10 FFCDRN O=C(C[C@@H]1CNc2ccccc21)NCc1ccc(N2CCOCC2)cc1 ZINC001521438209 1060592228 /nfs/dbraw/zinc/59/22/28/1060592228.db2.gz CJSGUXPRMMIHEE-QGZVFWFLSA-N 0 0 351.450 2.739 20 10 FFCDRN COC(=O)COc1ccc(N(C)CCOCc2ccc(OC)cc2)cc1 ZINC001459928916 1060850859 /nfs/dbraw/zinc/85/08/59/1060850859.db2.gz AKFRIQKBTWAQOO-UHFFFAOYSA-N 0 0 359.422 2.900 20 10 FFCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N(C[C@@H](C)O)C1CC1 ZINC001521588734 1060995069 /nfs/dbraw/zinc/99/50/69/1060995069.db2.gz SQLKKMYZDYEGAI-SNVBAGLBSA-N 0 0 359.455 2.630 20 10 FFCDRN C[C@@H]([NH2+]Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000763410382 1061246065 /nfs/dbraw/zinc/24/60/65/1061246065.db2.gz KJTAXDCIXFUHNS-CQSZACIVSA-N 0 0 357.410 2.988 20 10 FFCDRN CNc1nc(C)cc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 ZINC001527058238 1061374670 /nfs/dbraw/zinc/37/46/70/1061374670.db2.gz UIAPTJMUMAWLSO-UHFFFAOYSA-N 0 0 372.384 2.854 20 10 FFCDRN C[C@H]1CN(c2ccc(NC(=O)NCc3c(O)cccc3F)cn2)C[C@H](C)O1 ZINC001476524406 1061426170 /nfs/dbraw/zinc/42/61/70/1061426170.db2.gz AVUWKFIJYUYIIZ-STQMWFEESA-N 0 0 374.416 2.862 20 10 FFCDRN NC(=O)c1ncc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC001477079786 1061571525 /nfs/dbraw/zinc/57/15/25/1061571525.db2.gz ALOMYYLQTQPZPK-UHFFFAOYSA-N 0 0 372.406 2.775 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)Cc1cc(C)cc(OC)c1O ZINC001462372882 1061596324 /nfs/dbraw/zinc/59/63/24/1061596324.db2.gz QDAUKOJLMRWBSC-UHFFFAOYSA-N 0 0 359.422 2.980 20 10 FFCDRN Cn1ncc(C2CC2)c1C(=O)Nc1ccc(NC(=O)C2=S=CC=C2)cc1 ZINC001527806392 1061633317 /nfs/dbraw/zinc/63/33/17/1061633317.db2.gz BDOPGKHOBOGDFR-UHFFFAOYSA-N 0 0 366.446 2.766 20 10 FFCDRN CCc1n[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1[N+](=O)[O-] ZINC000767693340 1061788301 /nfs/dbraw/zinc/78/83/01/1061788301.db2.gz LPEBJASRUYXLHZ-UHFFFAOYSA-N 0 0 359.430 2.997 20 10 FFCDRN O=S(=O)(C[C@@H]1CC[C@@H](C2CC2)O1)NCCCSc1nccs1 ZINC001463041445 1061906384 /nfs/dbraw/zinc/90/63/84/1061906384.db2.gz KYBJSZFCTURTPD-STQMWFEESA-N 0 0 362.542 2.502 20 10 FFCDRN O=S(=O)(C[C@@H]1CC[C@H](C2CC2)O1)NCCCSc1nccs1 ZINC001463041440 1061907736 /nfs/dbraw/zinc/90/77/36/1061907736.db2.gz KYBJSZFCTURTPD-QWHCGFSZSA-N 0 0 362.542 2.502 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC001360848620 1062037900 /nfs/dbraw/zinc/03/79/00/1062037900.db2.gz ZVPWYOWEUSVEKM-LSDHHAIUSA-N 0 0 360.454 2.846 20 10 FFCDRN COC(=O)N1CCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001479099405 1062223708 /nfs/dbraw/zinc/22/37/08/1062223708.db2.gz HUAZOBWSFAFSNZ-UHFFFAOYSA-N 0 0 370.453 2.688 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCC(C)(C)CO2)cc1 ZINC001479187170 1062279551 /nfs/dbraw/zinc/27/95/51/1062279551.db2.gz LKQBCRDPOVXRBY-GOSISDBHSA-N 0 0 363.502 2.978 20 10 FFCDRN CCCN(CC(=O)NC)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001464407596 1062593617 /nfs/dbraw/zinc/59/36/17/1062593617.db2.gz BSDJEUXDAJOCQH-UHFFFAOYSA-N 0 0 371.481 2.513 20 10 FFCDRN CCc1nnc(N2CC[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001546464833 1063214986 /nfs/dbraw/zinc/21/49/86/1063214986.db2.gz VOKWVYBCESAYQW-OAHLLOKOSA-N 0 0 373.476 2.711 20 10 FFCDRN CN(C)c1nnc(-c2ccc(NC(=O)NCc3c(O)cccc3F)cc2)o1 ZINC001465900187 1063255749 /nfs/dbraw/zinc/25/57/49/1063255749.db2.gz OALDREFYDWYPIK-UHFFFAOYSA-N 0 0 371.372 2.969 20 10 FFCDRN COc1cccc([C@H](O)CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001465912477 1063259737 /nfs/dbraw/zinc/25/97/37/1063259737.db2.gz DLBVQTYQYAFLTF-OAHLLOKOSA-N 0 0 359.403 2.785 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@]3(O)CCCC(C)(C)C3)CC2)cc1F ZINC001465930508 1063270912 /nfs/dbraw/zinc/27/09/12/1063270912.db2.gz UZBDBFVRYYKQNA-HXUWFJFHSA-N 0 0 364.461 2.814 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1=CS(=O)(=O)CCC1 ZINC001441916136 1063482795 /nfs/dbraw/zinc/48/27/95/1063482795.db2.gz NXTNNULHAGNZLP-UHFFFAOYSA-N 0 0 350.484 2.582 20 10 FFCDRN NC(=O)Nc1cc(NC(=O)NCc2cc(Cl)ccc2O)ccc1F ZINC001466625747 1063499553 /nfs/dbraw/zinc/49/95/53/1063499553.db2.gz NCAHJHIDBYGPQJ-UHFFFAOYSA-N 0 0 352.753 2.997 20 10 FFCDRN C[C@H](Cn1ccnc1)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894655 1063588289 /nfs/dbraw/zinc/58/82/89/1063588289.db2.gz ZSWXICFJOOKYAP-CQSZACIVSA-N 0 0 361.409 2.803 20 10 FFCDRN Cc1cc(CNC(=O)Nc2cnn(C)c(=O)c2)c(C)n1-c1ccccc1 ZINC001467416161 1063738539 /nfs/dbraw/zinc/73/85/39/1063738539.db2.gz HMMWWAAYBAFEEM-UHFFFAOYSA-N 0 0 351.410 2.510 20 10 FFCDRN Cc1cc(CNC(=O)Nc2nc(C(N)=O)cs2)c(C)n1-c1ccccc1 ZINC001467539871 1063774822 /nfs/dbraw/zinc/77/48/22/1063774822.db2.gz LJILNIUWJUVTJN-UHFFFAOYSA-N 0 0 369.450 2.971 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H](OCC)C1CCCC1 ZINC001469231724 1064113304 /nfs/dbraw/zinc/11/33/04/1064113304.db2.gz WUDVECPLELYGJB-LJQANCHMSA-N 0 0 363.454 2.879 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)NCc1cc(Cl)ccc1O ZINC001469874390 1064222372 /nfs/dbraw/zinc/22/23/72/1064222372.db2.gz NGQUZKIPWGEZFU-UHFFFAOYSA-N 0 0 353.827 2.769 20 10 FFCDRN Nc1cc(Cl)ccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001470448018 1064337326 /nfs/dbraw/zinc/33/73/26/1064337326.db2.gz QSVQESYRXJFHMQ-UHFFFAOYSA-N 0 0 359.857 2.813 20 10 FFCDRN Cc1cc(CNC(=O)C[C@H]2CCCS2(=O)=O)c(C)n1-c1cccc(C)c1 ZINC001471014651 1064526322 /nfs/dbraw/zinc/52/63/22/1064526322.db2.gz UXJJPIBYBNLRHH-LJQANCHMSA-N 0 0 374.506 2.986 20 10 FFCDRN Cc1cc(CNC(=O)Cn2c(C)cc(O)cc2=O)c(C)n1-c1ccccc1 ZINC001471018563 1064528904 /nfs/dbraw/zinc/52/89/04/1064528904.db2.gz UUOZSGIEQHSYIL-UHFFFAOYSA-N 0 0 365.433 2.586 20 10 FFCDRN CCOC(=O)[C@]1(C)CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CCO1 ZINC001471284668 1064625325 /nfs/dbraw/zinc/62/53/25/1064625325.db2.gz PKOZCOOUIHRPSP-NRFANRHFSA-N 0 0 370.449 2.888 20 10 FFCDRN CN1CCN(c2ccc(CNc3ccc(-n4ccnn4)cc3)cc2F)CC1 ZINC001474055102 1065446793 /nfs/dbraw/zinc/44/67/93/1065446793.db2.gz KTOWNGIJXUPUES-UHFFFAOYSA-N 0 0 366.444 2.770 20 10 FFCDRN C[C@@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Cc1ccc(N)cc1 ZINC001576300529 1078213730 /nfs/dbraw/zinc/21/37/30/1078213730.db2.gz DIOKAJHKAGILRV-AWEZNQCLSA-N 0 0 353.422 2.988 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](C)c2cn[nH]n2)ccc1C ZINC001577365003 1078343205 /nfs/dbraw/zinc/34/32/05/1078343205.db2.gz BLSSMXGCJIWCHY-ZDUSSCGKSA-N 0 0 351.410 2.824 20 10 FFCDRN CCn1cccc(NC(=O)c2csc(Cc3ccc(N)cc3)n2)c1=O 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364.401 2.687 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1cnnn1-c1cccc(F)c1 ZINC001557123528 1075811268 /nfs/dbraw/zinc/81/12/68/1075811268.db2.gz PVYRARASKPQHCU-UHFFFAOYSA-N 0 0 363.352 2.590 20 10 FFCDRN CO[C@@](C)(CO)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001557293113 1075834473 /nfs/dbraw/zinc/83/44/73/1075834473.db2.gz ARJDFAJLDXXHOJ-LJQANCHMSA-N 0 0 364.873 2.804 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC001557307837 1075836825 /nfs/dbraw/zinc/83/68/25/1075836825.db2.gz MZDKJPIRUAFBFH-ZZXKWVIFSA-N 0 0 363.316 2.791 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCc1cccc(COC[C@H]2CCCO2)c1 ZINC001557611258 1075866648 /nfs/dbraw/zinc/86/66/48/1075866648.db2.gz SUJWMIBBRGZKSX-GOSISDBHSA-N 0 0 371.433 2.652 20 10 FFCDRN Cc1cc(CNC(=O)/C=C2/SCC(=O)N2C)c(C)n1-c1ccccc1 ZINC001557887567 1075906523 /nfs/dbraw/zinc/90/65/23/1075906523.db2.gz LVSIBERGOKXWAY-VXLYETTFSA-N 0 0 355.463 2.757 20 10 FFCDRN COC(=O)C1(O)CN(C(=O)c2cc(C)n(-c3cccc(C(C)C)c3)c2C)C1 ZINC001558060464 1075936057 /nfs/dbraw/zinc/93/60/57/1075936057.db2.gz PSVCOHUIKOILOO-UHFFFAOYSA-N 0 0 370.449 2.577 20 10 FFCDRN O=C(COc1ccc(Oc2ccccn2)cc1)NCc1c(O)cccc1O ZINC001558534515 1076026936 /nfs/dbraw/zinc/02/69/36/1076026936.db2.gz SKKSFXVTXUHICM-UHFFFAOYSA-N 0 0 366.373 2.980 20 10 FFCDRN COC(=O)[C@@]1(NC(=O)c2cccc(O)c2O)CC[C@@H](C)c2ccccc21 ZINC001558815338 1076081463 /nfs/dbraw/zinc/08/14/63/1076081463.db2.gz JMAFPOPVABSYBU-MPBGBICISA-N 0 0 355.390 2.793 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001560290752 1076260799 /nfs/dbraw/zinc/26/07/99/1076260799.db2.gz NDHKQUMPTCYDFN-SNVBAGLBSA-N 0 0 372.849 2.944 20 10 FFCDRN COc1ccc(NCc2c(O)cc(C)cc2Cl)cc1S(N)(=O)=O ZINC001560577297 1076281506 /nfs/dbraw/zinc/28/15/06/1076281506.db2.gz XQLLXGSAIHCVJA-UHFFFAOYSA-N 0 0 356.831 2.622 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccncc1Br ZINC001562516998 1076500707 /nfs/dbraw/zinc/50/07/07/1076500707.db2.gz KOFXNERYLCSKAJ-UHFFFAOYSA-N 0 0 356.607 2.947 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC/C=C/Cl)cc2F)C[C@H](C)O1 ZINC001563677962 1076575431 /nfs/dbraw/zinc/57/54/31/1076575431.db2.gz CDFJBXJEHXBSPV-IPBFNNSJSA-N 0 0 355.841 2.991 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CC[C@H](O)[C@@H]4CCCC[C@@H]43)ccc21 ZINC001563791966 1076583498 /nfs/dbraw/zinc/58/34/98/1076583498.db2.gz JTTNJOHMXLIMFG-HOJAQTOUSA-N 0 0 357.498 2.904 20 10 FFCDRN COC(=O)[C@]12CCC[C@H]1CN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C2 ZINC001564597222 1076646880 /nfs/dbraw/zinc/64/68/80/1076646880.db2.gz KGNCPJBGLDQAFR-UVFQYZLESA-N 0 0 359.470 2.798 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H]3CO)cc2Cl)C1 ZINC001564649770 1076650771 /nfs/dbraw/zinc/65/07/71/1076650771.db2.gz MQKCYLQSDWNHEN-ZFWWWQNUSA-N 0 0 351.878 2.853 20 10 FFCDRN Cc1cc(CNC(=O)NCC(=O)NCC(C)C)c(C)n1-c1cccc(C)c1 ZINC001565193312 1076695809 /nfs/dbraw/zinc/69/58/09/1076695809.db2.gz VFPNMKAGGAEGDP-UHFFFAOYSA-N 0 0 370.497 2.974 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C2(n3cnnn3)CCCCC2)cc1F ZINC001565688313 1076753893 /nfs/dbraw/zinc/75/38/93/1076753893.db2.gz RBOWIECCWHCQHM-UHFFFAOYSA-N 0 0 374.464 2.634 20 10 FFCDRN COC(=O)CCCN(Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001566347675 1076949898 /nfs/dbraw/zinc/94/98/98/1076949898.db2.gz RBLKIWGMPGVVAK-UHFFFAOYSA-N 0 0 357.406 2.622 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2cccnc2Br)c1 ZINC001566374420 1076952881 /nfs/dbraw/zinc/95/28/81/1076952881.db2.gz ISRHEZHPRATREH-SNVBAGLBSA-N 0 0 365.227 2.978 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2C[C@@H](O)C2(C)C)CCCC1 ZINC001567834728 1077055007 /nfs/dbraw/zinc/05/50/07/1077055007.db2.gz GDCKNJDOJNELGA-RTBURBONSA-N 0 0 356.466 2.804 20 10 FFCDRN Cc1cc(Br)c(N)c(C(=O)NCc2ccc(O)cc2O)c1 ZINC001570463587 1077207547 /nfs/dbraw/zinc/20/75/47/1077207547.db2.gz UHEPKUGJTKKXMV-UHFFFAOYSA-N 0 0 351.200 2.681 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1cnc(Cl)c(Br)c1 ZINC001570462277 1077207679 /nfs/dbraw/zinc/20/76/79/1077207679.db2.gz MCYOEXCKHJODJQ-UHFFFAOYSA-N 0 0 357.591 2.839 20 10 FFCDRN C[C@H](c1ccccc1F)[C@@H](O)C(=O)NCc1ccc2cccnc2c1O ZINC001570533485 1077213797 /nfs/dbraw/zinc/21/37/97/1077213797.db2.gz DPTJBHPQLKOYEM-KZULUSFZSA-N 0 0 354.381 2.860 20 10 FFCDRN C[S@](=O)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001586028821 1079530243 /nfs/dbraw/zinc/53/02/43/1079530243.db2.gz DAPWDJXRMOTFNJ-BZQUYTCOSA-N 0 0 358.423 2.699 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001586832781 1079692534 /nfs/dbraw/zinc/69/25/34/1079692534.db2.gz VCKHGGCSTIOCEE-UHFFFAOYSA-N 0 0 364.405 2.683 20 10 FFCDRN Nc1cccnc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001587150844 1079746494 /nfs/dbraw/zinc/74/64/94/1079746494.db2.gz JWQOBODGCURMMG-GFCCVEGCSA-N 0 0 362.380 2.664 20 10 FFCDRN COc1ccccc1-c1noc([C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001587234487 1079759176 /nfs/dbraw/zinc/75/91/76/1079759176.db2.gz YXDACNMCHAPWJL-LLVKDONJSA-N 0 0 369.377 2.576 20 10 FFCDRN C[NH+]1CCN(c2ccc(CNC(=O)c3cc4c([nH]3)CCCC4)cc2)CC1 ZINC001589179987 1080399829 /nfs/dbraw/zinc/39/98/29/1080399829.db2.gz UOGUZRBLRHFPPZ-UHFFFAOYSA-N 0 0 352.482 2.575 20 10 FFCDRN C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001589870180 1080818580 /nfs/dbraw/zinc/81/85/80/1080818580.db2.gz PCQQHVAZKSPARW-RYUDHWBXSA-N 0 0 368.397 2.935 20 10 FFCDRN C[C@@H]([NH2+]CCCOCc1ccccc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589960885 1080904510 /nfs/dbraw/zinc/90/45/10/1080904510.db2.gz JREWKIGSMNIKPX-CQSZACIVSA-N 0 0 353.426 2.830 20 10 FFCDRN Cc1cc(C(=O)N2CCCN(C(N)=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000097551765 209186769 /nfs/dbraw/zinc/18/67/69/209186769.db2.gz RKYFSPBOTVGOGZ-UHFFFAOYSA-N 0 0 374.872 2.974 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000375009002 512117469 /nfs/dbraw/zinc/11/74/69/512117469.db2.gz SMJUWQSYAOONKS-HXUWFJFHSA-N 0 0 372.421 2.835 20 10 FFCDRN Cc1nnccc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000371025476 512182576 /nfs/dbraw/zinc/18/25/76/512182576.db2.gz LEOFYWWJRSCWTC-UHFFFAOYSA-N 0 0 362.380 2.785 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000369134623 512243324 /nfs/dbraw/zinc/24/33/24/512243324.db2.gz OIXLGHIYAFECFA-HNNXBMFYSA-N 0 0 366.805 2.623 20 10 FFCDRN O=C(CCC(=O)c1ccc(F)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000054284694 506529171 /nfs/dbraw/zinc/52/91/71/506529171.db2.gz DPHFZXKNFSBDBU-UHFFFAOYSA-N 0 0 370.424 2.942 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000066621467 506582532 /nfs/dbraw/zinc/58/25/32/506582532.db2.gz MMVXOKFQQIKDNH-GOSISDBHSA-N 0 0 352.434 2.903 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 ZINC000055639181 506810113 /nfs/dbraw/zinc/81/01/13/506810113.db2.gz HKWORVGNQQZFSI-UHFFFAOYSA-N 0 0 368.480 2.866 20 10 FFCDRN COc1cccc(CNC(=O)c2cccc(NC(=O)NC3CC3)c2)c1O ZINC000068489363 507249189 /nfs/dbraw/zinc/24/91/89/507249189.db2.gz VSLUIFZWWXEEQF-UHFFFAOYSA-N 0 0 355.394 2.615 20 10 FFCDRN Cc1noc(C2CCN(C(=O)NCc3ccc(N(C)C)c(F)c3)CC2)n1 ZINC000064229089 507786061 /nfs/dbraw/zinc/78/60/61/507786061.db2.gz OARUHAYDEWXSIS-UHFFFAOYSA-N 0 0 361.421 2.672 20 10 FFCDRN CC(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000052396867 507807655 /nfs/dbraw/zinc/80/76/55/507807655.db2.gz FTYNEMTXCSPYBV-LJQANCHMSA-N 0 0 357.498 2.894 20 10 FFCDRN Cc1cc(C(=O)N2CCCN(C(N)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000078503707 507877745 /nfs/dbraw/zinc/87/77/45/507877745.db2.gz SLHFYRXGNIJQMA-UHFFFAOYSA-N 0 0 354.454 2.629 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCC(F)F ZINC000073748014 507951491 /nfs/dbraw/zinc/95/14/91/507951491.db2.gz WITYKUUBESUYJD-UHFFFAOYSA-N 0 0 367.318 2.606 20 10 FFCDRN CC[C@H](CSC)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000091214133 507969209 /nfs/dbraw/zinc/96/92/09/507969209.db2.gz SFISFUWGEQQBNJ-MRXNPFEDSA-N 0 0 351.516 2.806 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccccc1Cn1cncn1 ZINC000079538917 507972812 /nfs/dbraw/zinc/97/28/12/507972812.db2.gz VYNACHPXUGYHRQ-UHFFFAOYSA-N 0 0 361.449 2.857 20 10 FFCDRN Cc1sc(=O)n(CCC(=O)NCc2c(O)ccc3c2CCCC3)c1C ZINC000075159885 508087058 /nfs/dbraw/zinc/08/70/58/508087058.db2.gz KPPICNDWURTGTG-UHFFFAOYSA-N 0 0 360.479 2.818 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2c(c1)OCC(=O)N2 ZINC000075159829 508087067 /nfs/dbraw/zinc/08/70/67/508087067.db2.gz QXOLOLWLFWWZPH-UHFFFAOYSA-N 0 0 352.390 2.532 20 10 FFCDRN C[C@@H](c1ccco1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1 ZINC000094038386 508164594 /nfs/dbraw/zinc/16/45/94/508164594.db2.gz XSZFEVPIVIOKNC-NSHDSACASA-N 0 0 364.423 2.723 20 10 FFCDRN CC[C@H](C)[C@H](C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1 ZINC000094122319 508169642 /nfs/dbraw/zinc/16/96/42/508169642.db2.gz QTSDOVQGGCLQIK-RYUDHWBXSA-N 0 0 354.472 2.803 20 10 FFCDRN Cc1cc(C(=O)CN2CCC(NC(N)=O)CC2)c(C)n1-c1ccccc1C ZINC000081540489 508187532 /nfs/dbraw/zinc/18/75/32/508187532.db2.gz KXOBQOKXMVUSCA-UHFFFAOYSA-N 0 0 368.481 2.718 20 10 FFCDRN CN(C)C(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000076845201 508258209 /nfs/dbraw/zinc/25/82/09/508258209.db2.gz JMCGTZDEOWXECX-UHFFFAOYSA-N 0 0 351.450 2.919 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H](CO)Cc2c[nH]c3ccccc23)cc1 ZINC000104768671 508345739 /nfs/dbraw/zinc/34/57/39/508345739.db2.gz IFDCBRXAZFCLBN-QGZVFWFLSA-N 0 0 366.465 2.637 20 10 FFCDRN CC(C)c1nnc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000133722718 508439531 /nfs/dbraw/zinc/43/95/31/508439531.db2.gz YKQZMJNPOUPQBZ-CMDGGOBGSA-N 0 0 370.453 2.701 20 10 FFCDRN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)[C@H]2C1 ZINC000127743702 508493596 /nfs/dbraw/zinc/49/35/96/508493596.db2.gz UEZVHIOHPNNMHY-NEWSRXKRSA-N 0 0 369.465 2.898 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000122856951 508598077 /nfs/dbraw/zinc/59/80/77/508598077.db2.gz JADBHGMBGVDQIF-CLJJCWHGSA-N 0 0 356.466 2.610 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2nc3ccccc3o2)cc1 ZINC000153847153 508661237 /nfs/dbraw/zinc/66/12/37/508661237.db2.gz VWALOXWTYDUIEM-UHFFFAOYSA-N 0 0 366.465 2.984 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccnc1Br ZINC000136061393 508667823 /nfs/dbraw/zinc/66/78/23/508667823.db2.gz LBWBENSBJDJBHV-UHFFFAOYSA-N 0 0 362.227 2.949 20 10 FFCDRN CSC[C@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000137312944 508750817 /nfs/dbraw/zinc/75/08/17/508750817.db2.gz JALXFOYUKGSMTE-OAHLLOKOSA-N 0 0 367.490 2.699 20 10 FFCDRN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000371469096 512420570 /nfs/dbraw/zinc/42/05/70/512420570.db2.gz DAAHAHUZDYILOB-FMKPAKJESA-N 0 0 369.849 2.637 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cccc(NC(N)=O)c3)CC2)cc1 ZINC000154674198 508831580 /nfs/dbraw/zinc/83/15/80/508831580.db2.gz BETIYWPLCDNTKF-UHFFFAOYSA-N 0 0 368.437 2.538 20 10 FFCDRN Cc1cncc(/C=C/C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)c1 ZINC000119836449 508873509 /nfs/dbraw/zinc/87/35/09/508873509.db2.gz XMFQYVWRCBSNSM-VMPITWQZSA-N 0 0 356.447 2.786 20 10 FFCDRN Nc1ccc(CC(=O)N2CCC(C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000155103277 508924381 /nfs/dbraw/zinc/92/43/81/508924381.db2.gz PUMTWCFMOSHHIT-UHFFFAOYSA-N 0 0 355.413 2.828 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nnc2ccccn21 ZINC000125171530 508942127 /nfs/dbraw/zinc/94/21/27/508942127.db2.gz LMQKOOUZAJDGFA-OAHLLOKOSA-N 0 0 362.437 2.666 20 10 FFCDRN CCC(=O)N1CC[C@@H](C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000151126761 508962005 /nfs/dbraw/zinc/96/20/05/508962005.db2.gz UVACSTFDDKGLPR-GOSISDBHSA-N 0 0 357.498 2.798 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](CCO)c1ccccc1 ZINC000155668163 509048724 /nfs/dbraw/zinc/04/87/24/509048724.db2.gz MWACNYDDKAOMSF-HXUWFJFHSA-N 0 0 351.450 2.986 20 10 FFCDRN O=C(Nc1cccnn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000151821799 509090058 /nfs/dbraw/zinc/09/00/58/509090058.db2.gz JUEWFRZEUZBUKF-GFCCVEGCSA-N 0 0 363.368 2.869 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnn1C(C)C ZINC000175876416 509193132 /nfs/dbraw/zinc/19/31/32/509193132.db2.gz QYDBLUVUICYPNL-UHFFFAOYSA-N 0 0 357.458 2.517 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000266811609 509206419 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CC(=O)N[C@@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000173194589 509449437 /nfs/dbraw/zinc/44/94/37/509449437.db2.gz RTTQTFWKQIFLPF-SFHVURJKSA-N 0 0 367.449 2.746 20 10 FFCDRN COc1ccc2c(c1)nc(CNC(=O)NCc1ccc(N(C)C)cc1)n2C ZINC000186018280 509481868 /nfs/dbraw/zinc/48/18/68/509481868.db2.gz ADJXUENDWNJQJI-UHFFFAOYSA-N 0 0 367.453 2.647 20 10 FFCDRN COCCC(C)(C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000186103966 509524398 /nfs/dbraw/zinc/52/43/98/509524398.db2.gz OOPWGDJDAYYLHP-UHFFFAOYSA-N 0 0 363.502 2.727 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3cccnc3)cc2F)C[C@H](C)O1 ZINC000264722102 509666370 /nfs/dbraw/zinc/66/63/70/509666370.db2.gz PPKRKUIWDDMWES-GASCZTMLSA-N 0 0 357.429 2.693 20 10 FFCDRN Cc1ccc(N2CCC(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)CC2)nc1 ZINC000186377669 509679594 /nfs/dbraw/zinc/67/95/94/509679594.db2.gz OHIXRDBVCDFKDP-HNNXBMFYSA-N 0 0 369.465 2.765 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)N2CCCC2)cc1 ZINC000170682375 509718395 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C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000186792196 509898412 /nfs/dbraw/zinc/89/84/12/509898412.db2.gz ONFRTFJEVXMCJR-CQSZACIVSA-N 0 0 361.486 2.872 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1ccc(F)cc1 ZINC000174062681 509929667 /nfs/dbraw/zinc/92/96/67/509929667.db2.gz AHBBNZUHBBFBHT-UHFFFAOYSA-N 0 0 350.415 2.621 20 10 FFCDRN O=C(NCCc1nc(-c2ccc(Cl)cc2)no1)c1cccc(O)c1O ZINC000187083528 510045744 /nfs/dbraw/zinc/04/57/44/510045744.db2.gz CHCREUPJLJRUAZ-UHFFFAOYSA-N 0 0 359.769 2.774 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OCC(=O)NC)cc1 ZINC000265456325 510064018 /nfs/dbraw/zinc/06/40/18/510064018.db2.gz DKALCXFFZVKSKO-UHFFFAOYSA-N 0 0 371.437 2.961 20 10 FFCDRN COCc1ccccc1C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 ZINC000187124569 510071612 /nfs/dbraw/zinc/07/16/12/510071612.db2.gz YZQROLQERREHFM-UHFFFAOYSA-N 0 0 367.449 2.754 20 10 FFCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000180769373 510100082 /nfs/dbraw/zinc/10/00/82/510100082.db2.gz 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C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000190924880 510418499 /nfs/dbraw/zinc/41/84/99/510418499.db2.gz HVTBTTRCRRBEMP-ZCFIWIBFSA-N 0 0 362.333 2.721 20 10 FFCDRN CC[C@@H](CSC)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000181474570 510429308 /nfs/dbraw/zinc/42/93/08/510429308.db2.gz UJHWDWRJZLEFNY-AWEZNQCLSA-N 0 0 369.506 2.728 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCOC2(CCSCC2)C1 ZINC000269510526 510441704 /nfs/dbraw/zinc/44/17/04/510441704.db2.gz ONYDMYZBWOOPFO-HNNXBMFYSA-N 0 0 350.484 2.978 20 10 FFCDRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000266343427 510528430 /nfs/dbraw/zinc/52/84/30/510528430.db2.gz MWVKMKNVOLUQOD-UHFFFAOYSA-N 0 0 374.462 2.504 20 10 FFCDRN NC(=O)Nc1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000269779162 510543972 /nfs/dbraw/zinc/54/39/72/510543972.db2.gz FQHWCBPEBUXGBC-KRWDZBQOSA-N 0 0 369.421 2.704 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)c1O ZINC000181821237 510610936 /nfs/dbraw/zinc/61/09/36/510610936.db2.gz 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/nfs/dbraw/zinc/67/65/10/510676510.db2.gz OVLGZODWBFITKW-UHFFFAOYSA-N 0 0 367.465 2.871 20 10 FFCDRN CC(C)CO[C@@H](C)c1noc(CN(C)Cc2cc3c(cc2O)OCO3)n1 ZINC000266631469 510698745 /nfs/dbraw/zinc/69/87/45/510698745.db2.gz PPMJWEGLXBFZPQ-LBPRGKRZSA-N 0 0 363.414 2.870 20 10 FFCDRN COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(OC)c1OC ZINC000266653549 510711503 /nfs/dbraw/zinc/71/15/03/510711503.db2.gz JYNVTBNVYCISTD-UHFFFAOYSA-N 0 0 372.421 2.818 20 10 FFCDRN C[C@H](NC(=O)NCc1ccccc1O)c1ccc(N2CCOC2=O)cc1 ZINC000263685209 510789670 /nfs/dbraw/zinc/78/96/70/510789670.db2.gz FLLSKHPMNIVSBS-ZDUSSCGKSA-N 0 0 355.394 2.909 20 10 FFCDRN CCn1nc(C)c([N+](=O)[O-])c1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000195339403 510791871 /nfs/dbraw/zinc/79/18/71/510791871.db2.gz IBYXKSLXSKHJMU-UHFFFAOYSA-N 0 0 359.430 2.593 20 10 FFCDRN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000185350685 510817929 /nfs/dbraw/zinc/81/79/29/510817929.db2.gz MVKDQPRUKCPAIQ-KXBFYZLASA-N 0 0 372.440 2.652 20 10 FFCDRN Cc1cccc(CS(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000263737055 510818358 /nfs/dbraw/zinc/81/83/58/510818358.db2.gz USDKFNWQJRJJMJ-UHFFFAOYSA-N 0 0 374.506 2.793 20 10 FFCDRN CC(=O)NC1CCC(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000263836727 510851937 /nfs/dbraw/zinc/85/19/37/510851937.db2.gz VJQCBQXNVCQMDO-UHFFFAOYSA-N 0 0 354.454 2.666 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1coc(C2CCOCC2)n1 ZINC000329955384 510886350 /nfs/dbraw/zinc/88/63/50/510886350.db2.gz PAGMPRCCHKSBNG-UHFFFAOYSA-N 0 0 357.410 2.674 20 10 FFCDRN CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(N)cc1 ZINC000297306935 510895762 /nfs/dbraw/zinc/89/57/62/510895762.db2.gz VVKPIWMYVNJFDP-QGZVFWFLSA-N 0 0 359.857 2.993 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1C[C@H](CO)c2ccccc21 ZINC000293979072 510916688 /nfs/dbraw/zinc/91/66/88/510916688.db2.gz SPTLNPWKZUQANQ-RUJXFNLJSA-N 0 0 364.445 2.659 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(C)C)nc1 ZINC000275806023 510918821 /nfs/dbraw/zinc/91/88/21/510918821.db2.gz CDQKUVKNIUDUKI-UHFFFAOYSA-N 0 0 371.437 2.952 20 10 FFCDRN COCC(=O)N1CCc2cc(NC(=O)N(C)Cc3ccccc3O)ccc21 ZINC000276006775 510922958 /nfs/dbraw/zinc/92/29/58/510922958.db2.gz PMPKKWTVZAUZQG-UHFFFAOYSA-N 0 0 369.421 2.592 20 10 FFCDRN CCC(O)(CC)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000276243494 510930411 /nfs/dbraw/zinc/93/04/11/510930411.db2.gz GIVRJFJRFRVZKW-UHFFFAOYSA-N 0 0 363.502 2.606 20 10 FFCDRN CC(C)N1CC(=O)N(Cc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)C1=O ZINC000277236469 510957077 /nfs/dbraw/zinc/95/70/77/510957077.db2.gz GYHDTYNSSYRLCU-KBPBESRZSA-N 0 0 363.433 2.612 20 10 FFCDRN Cn1ncc(C(=O)NCc2cccc(Br)c2O)c1C1CC1 ZINC000277385661 510961459 /nfs/dbraw/zinc/96/14/59/510961459.db2.gz ADMACUMGSYHYIZ-UHFFFAOYSA-N 0 0 350.216 2.696 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cccc(=O)[nH]1 ZINC000282401158 510961848 /nfs/dbraw/zinc/96/18/48/510961848.db2.gz FKPWENRNHSVIHB-LBPRGKRZSA-N 0 0 363.364 2.787 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](NC(N)=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000270722853 510962803 /nfs/dbraw/zinc/96/28/03/510962803.db2.gz IISPPXVYBLURCR-AWEZNQCLSA-N 0 0 360.845 2.630 20 10 FFCDRN CC1(CNC(=O)NCc2cccc(Br)c2O)CCOCC1 ZINC000277506716 510964784 /nfs/dbraw/zinc/96/47/84/510964784.db2.gz RNXLZXYIKXOYNC-UHFFFAOYSA-N 0 0 357.248 2.771 20 10 FFCDRN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277660795 510969186 /nfs/dbraw/zinc/96/91/86/510969186.db2.gz ZXXYLRLKRSGPCG-MRVPVSSYSA-N 0 0 352.232 2.915 20 10 FFCDRN C[C@@H](CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C ZINC000277715919 510970926 /nfs/dbraw/zinc/97/09/26/510970926.db2.gz JQICRTQTMFCIMA-STQMWFEESA-N 0 0 366.458 2.838 20 10 FFCDRN COCCCNC(=O)Cc1noc(-c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000277785995 510972278 /nfs/dbraw/zinc/97/22/78/510972278.db2.gz DPEPCEKSSACRCD-UHFFFAOYSA-N 0 0 368.437 2.839 20 10 FFCDRN CC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000285602539 510972873 /nfs/dbraw/zinc/97/28/73/510972873.db2.gz YKFGBMUXNSXETJ-FQEVSTJZSA-N 0 0 357.498 2.940 20 10 FFCDRN CCO[C@@H]1C[C@]2(NC(=O)N(Cc3ccc4c(c3)CCCN4C)C2=O)C1(C)C ZINC000277874678 510975199 /nfs/dbraw/zinc/97/51/99/510975199.db2.gz ONZMBUYMRRKBTI-DYESRHJHSA-N 0 0 371.481 2.695 20 10 FFCDRN COC(=O)Nc1cccc(CNC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000285610586 510977353 /nfs/dbraw/zinc/97/73/53/510977353.db2.gz JTUHTZWJICKSDY-UHFFFAOYSA-N 0 0 356.426 2.930 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2ccc(N3CCCC3=O)cc2)ccc1[N+](=O)[O-] ZINC000278104979 510982449 /nfs/dbraw/zinc/98/24/49/510982449.db2.gz ADFZMVZAVBEKKF-UHFFFAOYSA-N 0 0 371.393 2.726 20 10 FFCDRN COc1c([O-])c(C[NH2+]C2CCC(O)(c3cccnc3)CC2)ccc1[N+](=O)[O-] ZINC000278504167 510996037 /nfs/dbraw/zinc/99/60/37/510996037.db2.gz OLONPYBSMYYECR-UHFFFAOYSA-N 0 0 373.409 2.624 20 10 FFCDRN COc1ccccc1N1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000278527017 510996792 /nfs/dbraw/zinc/99/67/92/510996792.db2.gz UCQKTCITUFPZEC-AWEZNQCLSA-N 0 0 373.409 2.686 20 10 FFCDRN C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cc(F)ccc1O ZINC000282507114 511005260 /nfs/dbraw/zinc/00/52/60/511005260.db2.gz OJGATPJLYDWIAU-CQSZACIVSA-N 0 0 351.443 2.839 20 10 FFCDRN CO[C@H]1COCC[C@@H]1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000297609898 511008166 /nfs/dbraw/zinc/00/81/66/511008166.db2.gz GPRNZUKABVTZLF-ZBFHGGJFSA-N 0 0 366.421 2.776 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)cc1 ZINC000278921010 511014058 /nfs/dbraw/zinc/01/40/58/511014058.db2.gz IAFARYCYELIOAV-IBGZPJMESA-N 0 0 374.506 2.587 20 10 FFCDRN CC(C)N(CC(=O)N1CCCCCC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000286136889 511019854 /nfs/dbraw/zinc/01/98/54/511019854.db2.gz BUBZRYHMPXIWOC-CSKARUKUSA-N 0 0 360.454 2.751 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)CNC(=O)c1cccc(O)c1 ZINC000282550068 511022945 /nfs/dbraw/zinc/02/29/45/511022945.db2.gz SHMSGBUKOKAKRQ-UHFFFAOYSA-N 0 0 356.422 2.657 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)CCc2ccc(F)cc2)cc1 ZINC000297699587 511039060 /nfs/dbraw/zinc/03/90/60/511039060.db2.gz CNMIWJYMXJISLC-UHFFFAOYSA-N 0 0 371.456 2.551 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](O)C(C)(C)C2)cc1F ZINC000287867395 511059099 /nfs/dbraw/zinc/05/90/99/511059099.db2.gz WYLQYYJHJOLIMA-KRWDZBQOSA-N 0 0 351.466 2.974 20 10 FFCDRN C[C@H](NC(=O)C1CCCCC1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000331515539 511065440 /nfs/dbraw/zinc/06/54/40/511065440.db2.gz BZWFGGCPELGYPU-AWEZNQCLSA-N 0 0 359.470 2.563 20 10 FFCDRN COc1cc(O)c(CN(C)Cc2cnn(-c3ccccc3)n2)cc1OC ZINC000271088307 511079592 /nfs/dbraw/zinc/07/95/92/511079592.db2.gz JYAYAORSHGYLJH-UHFFFAOYSA-N 0 0 354.410 2.622 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCCN(C(N)=O)C1 ZINC000288598263 511080479 /nfs/dbraw/zinc/08/04/79/511080479.db2.gz MJPWRWJVQNCMHD-QGZVFWFLSA-N 0 0 368.481 2.923 20 10 FFCDRN CC(=O)C(=O)CSc1nc2ccc(Cl)cc2c(=O)n1CC(C)C ZINC000289010959 511092043 /nfs/dbraw/zinc/09/20/43/511092043.db2.gz XHLIXXAVQWPNBF-UHFFFAOYSA-N 0 0 352.843 2.956 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCc3nc(C)ncc3C2)c(C)n1-c1ccccn1 ZINC000361828661 511100148 /nfs/dbraw/zinc/10/01/48/511100148.db2.gz ATPADHJMLALEQG-QGZVFWFLSA-N 0 0 361.449 2.875 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc4nccnc4cc3F)CC2)cc1 ZINC000279494941 511103895 /nfs/dbraw/zinc/10/38/95/511103895.db2.gz PQERPBZUXHPGAT-UHFFFAOYSA-N 0 0 366.396 2.740 20 10 FFCDRN CCS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282775977 511107791 /nfs/dbraw/zinc/10/77/91/511107791.db2.gz WOQJCAQKOZKTJW-ZDUSSCGKSA-N 0 0 372.918 2.627 20 10 FFCDRN CCOc1cccc(CN2CCN(Cc3noc(C(C)(C)C)n3)CC2)c1O ZINC000271185376 511112094 /nfs/dbraw/zinc/11/20/94/511112094.db2.gz JHCQFSWGDJIQJN-UHFFFAOYSA-N 0 0 374.485 2.789 20 10 FFCDRN COc1ccc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(OC)n1 ZINC000289787181 511115285 /nfs/dbraw/zinc/11/52/85/511115285.db2.gz YLSOYNFHEWCPNV-UHFFFAOYSA-N 0 0 353.762 2.656 20 10 FFCDRN COc1c([O-])c(C[N@H+](C)CCCN(C)Cc2ccco2)ccc1[N+](=O)[O-] ZINC000289799076 511115351 /nfs/dbraw/zinc/11/53/51/511115351.db2.gz MONYRDOQFUFGFD-UHFFFAOYSA-N 0 0 363.414 2.856 20 10 FFCDRN COc1ccc(O)c(CNc2cccc(N3C(=O)N[C@H](C)C3=O)c2C)c1 ZINC000290141402 511128198 /nfs/dbraw/zinc/12/81/98/511128198.db2.gz KJRBEMNOWCVKHG-GFCCVEGCSA-N 0 0 355.394 2.766 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ocnc1C1CC1 ZINC000290209978 511130650 /nfs/dbraw/zinc/13/06/50/511130650.db2.gz DTYINMPUJNZOAQ-UHFFFAOYSA-N 0 0 359.401 2.582 20 10 FFCDRN COC(=O)C1(O)CCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000271249770 511137732 /nfs/dbraw/zinc/13/77/32/511137732.db2.gz IDTZQWIFDMGZAU-UHFFFAOYSA-N 0 0 370.449 2.543 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nccc(C(N)=O)c1[N+](=O)[O-] ZINC000290596357 511146203 /nfs/dbraw/zinc/14/62/03/511146203.db2.gz YHAMRILHPPEUNB-UHFFFAOYSA-N 0 0 369.425 2.715 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1(F)F ZINC000290712764 511148628 /nfs/dbraw/zinc/14/86/28/511148628.db2.gz LRYFDOYMMJXQFM-CYBMUJFWSA-N 0 0 371.403 2.849 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C2CC2)n(C)n1 ZINC000290698193 511148748 /nfs/dbraw/zinc/14/87/48/511148748.db2.gz VCWRLRLGDCIVBX-UHFFFAOYSA-N 0 0 369.469 2.798 20 10 FFCDRN C[C@H](O)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000279624199 511150145 /nfs/dbraw/zinc/15/01/45/511150145.db2.gz HZOLIXMEFFDNMN-FXJRYOPJSA-N 0 0 358.482 2.688 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCCC[C@@H]1c1nnc([C@H]2CCCO2)o1 ZINC000290776993 511150490 /nfs/dbraw/zinc/15/04/90/511150490.db2.gz WJVOWENDJFHJMH-TZMCWYRMSA-N 0 0 359.382 2.700 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCn4cncc4C3)ccc21 ZINC000291002582 511156904 /nfs/dbraw/zinc/15/69/04/511156904.db2.gz YVZYIDOZNFHUES-UHFFFAOYSA-N 0 0 352.438 2.757 20 10 FFCDRN COCCOCC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000291015223 511156922 /nfs/dbraw/zinc/15/69/22/511156922.db2.gz NMRFRDKFELOETJ-UHFFFAOYSA-N 0 0 372.465 2.957 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000294760417 511169825 /nfs/dbraw/zinc/16/98/25/511169825.db2.gz SBAGYGSSUJRWQU-HNNXBMFYSA-N 0 0 353.484 2.736 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294820402 511189376 /nfs/dbraw/zinc/18/93/76/511189376.db2.gz KNIGJGSFAMHJIM-DTORHVGOSA-N 0 0 351.038 2.530 20 10 FFCDRN CC(C)[C@]1(CO)CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000294829153 511191574 /nfs/dbraw/zinc/19/15/74/511191574.db2.gz QXAPHERCUIQWFY-MECCDNJOSA-N 0 0 372.509 2.794 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C2CC2)cc1 ZINC000283024101 511203839 /nfs/dbraw/zinc/20/38/39/511203839.db2.gz SZOWNODFUINPDM-GOSISDBHSA-N 0 0 370.497 2.628 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@]2(C)OCCc3sccc32)ccc1[N+](=O)[O-] ZINC000291467409 511209617 /nfs/dbraw/zinc/20/96/17/511209617.db2.gz DNSYBMQVKMVPFZ-QGZVFWFLSA-N 0 0 364.423 2.948 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@@H]2CC(c3ccc(C)cc3)=NO2)c1O ZINC000283054849 511215605 /nfs/dbraw/zinc/21/56/05/511215605.db2.gz FSPOCOCWBCWRST-INIZCTEOSA-N 0 0 369.421 2.702 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)Nc2cc(OC)cc(OC)c2)s1 ZINC000295001177 511249115 /nfs/dbraw/zinc/24/91/15/511249115.db2.gz DCDNTQRMUBBYLJ-UHFFFAOYSA-N 0 0 368.436 2.678 20 10 FFCDRN CNC(=O)COc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(C)c1 ZINC000279882202 511252039 /nfs/dbraw/zinc/25/20/39/511252039.db2.gz NKSKJFKWKXKDID-UHFFFAOYSA-N 0 0 370.453 2.508 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2n[nH]c(=O)c3ccccc32)C2CC2)cc1 ZINC000298411684 511275683 /nfs/dbraw/zinc/27/56/83/511275683.db2.gz WUUXKEBOZPVFEU-UHFFFAOYSA-N 0 0 362.433 2.794 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NC1CCCC1 ZINC000283271740 511302183 /nfs/dbraw/zinc/30/21/83/511302183.db2.gz NBWHHOFTFDOPPY-UHFFFAOYSA-N 0 0 369.259 2.562 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000295257450 511339929 /nfs/dbraw/zinc/33/99/29/511339929.db2.gz NFRASBHVFUVCEJ-NSHDSACASA-N 0 0 368.405 2.614 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CNC2(c3nccs3)CCCC2)cc1 ZINC000298620309 511350508 /nfs/dbraw/zinc/35/05/08/511350508.db2.gz NHCILXLTMKVTRZ-UHFFFAOYSA-N 0 0 358.511 2.884 20 10 FFCDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)sc1C ZINC000280214774 511378134 /nfs/dbraw/zinc/37/81/34/511378134.db2.gz WVAWEYRSOSZCMF-NSHDSACASA-N 0 0 362.407 2.627 20 10 FFCDRN C[C@@H]1CCCN(c2cc(C(=O)NCCc3ccc(O)c(O)c3)ccn2)C1 ZINC000291893376 511380675 /nfs/dbraw/zinc/38/06/75/511380675.db2.gz KGGFKZBXNJCHIT-CQSZACIVSA-N 0 0 355.438 2.702 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnccc1OC ZINC000283503978 511391541 /nfs/dbraw/zinc/39/15/41/511391541.db2.gz DWFWNGKPEZAHGF-UHFFFAOYSA-N 0 0 357.410 2.563 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CCC(F)(c3ccccn3)CC2)cc1 ZINC000295467537 511416132 /nfs/dbraw/zinc/41/61/32/511416132.db2.gz XTLLVHFIKBWZKQ-UHFFFAOYSA-N 0 0 370.472 2.725 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCSCC3)cc2F)C[C@@H](C)O1 ZINC000298913338 511450499 /nfs/dbraw/zinc/45/04/99/511450499.db2.gz DURLMFXWFVTSLC-ZIAGYGMSSA-N 0 0 367.490 2.698 20 10 FFCDRN COC(=O)CN(Cc1ccnn1C(C)C)Cc1cc(Cl)ccc1O ZINC000280421052 511458808 /nfs/dbraw/zinc/45/88/08/511458808.db2.gz ZBJUCVRPLAXCDW-UHFFFAOYSA-N 0 0 351.834 2.998 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c(C)n1-c1ccccn1 ZINC000280435173 511463902 /nfs/dbraw/zinc/46/39/02/511463902.db2.gz HAIBSJDETNJNGG-MGPUTAFESA-N 0 0 355.438 2.509 20 10 FFCDRN CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC000298970986 511470294 /nfs/dbraw/zinc/47/02/94/511470294.db2.gz LMACDQVETKMTOY-UHFFFAOYSA-N 0 0 369.421 2.584 20 10 FFCDRN CC(C)n1cnnc1C1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000272458809 511494749 /nfs/dbraw/zinc/49/47/49/511494749.db2.gz OIEIDMBKJLFYGC-GQCTYLIASA-N 0 0 356.426 2.690 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1O ZINC000272766539 511506373 /nfs/dbraw/zinc/50/63/73/511506373.db2.gz RJYPYLSUWZCYEE-JSGCOSHPSA-N 0 0 364.442 2.782 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc2nccnc21 ZINC000273308498 511522049 /nfs/dbraw/zinc/52/20/49/511522049.db2.gz NANTVWNQZDIWKE-UHFFFAOYSA-N 0 0 366.396 2.536 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)c2occc2C)c1 ZINC000273501973 511529679 /nfs/dbraw/zinc/52/96/79/511529679.db2.gz QFQXGADAYIQBBG-ZDUSSCGKSA-N 0 0 360.410 2.551 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCOc2cccc(NC(C)=O)c2)c1 ZINC000273524674 511531221 /nfs/dbraw/zinc/53/12/21/511531221.db2.gz UZUNBZKSGMENBV-CYBMUJFWSA-N 0 0 372.421 2.867 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)S(=O)(=O)C2CC2)cc1F ZINC000283902458 511539842 /nfs/dbraw/zinc/53/98/42/511539842.db2.gz IXQYRWDRNASUPG-UHFFFAOYSA-N 0 0 370.490 2.644 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC(=O)N(C)c2ccccc21 ZINC000365605723 511556606 /nfs/dbraw/zinc/55/66/06/511556606.db2.gz COMREKVFLWQQRO-INIZCTEOSA-N 0 0 365.433 2.628 20 10 FFCDRN C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000280672748 511557945 /nfs/dbraw/zinc/55/79/45/511557945.db2.gz UJVVRDWSBHFMDT-LBPRGKRZSA-N 0 0 364.433 2.638 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2COc3ccccc3[C@@H]2O)c(C)n1-c1ccccn1 ZINC000365610517 511558248 /nfs/dbraw/zinc/55/82/48/511558248.db2.gz RLSPTVGERCYNHV-PXNSSMCTSA-N 0 0 363.417 2.714 20 10 FFCDRN COCCOCc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000292346140 511561262 /nfs/dbraw/zinc/56/12/62/511561262.db2.gz DJGUWENGLCCHRA-VQHVLOKHSA-N 0 0 357.406 2.590 20 10 FFCDRN Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n(C)n1 ZINC000363454368 511562895 /nfs/dbraw/zinc/56/28/95/511562895.db2.gz MTIJPYLENREJBE-UHFFFAOYSA-N 0 0 364.396 2.729 20 10 FFCDRN COc1cc(Cl)cc(CNc2ccc(C(=O)NCCCO)cc2)c1O ZINC000280694188 511565953 /nfs/dbraw/zinc/56/59/53/511565953.db2.gz OXKRJSKVNBOSHE-UHFFFAOYSA-N 0 0 364.829 2.779 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000365627396 511568154 /nfs/dbraw/zinc/56/81/54/511568154.db2.gz JYPDPYJUODUNTF-UHFFFAOYSA-N 0 0 372.513 2.687 20 10 FFCDRN CC(C)Oc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000295982986 511578541 /nfs/dbraw/zinc/57/85/41/511578541.db2.gz KGETYPQRZCQASR-UHFFFAOYSA-N 0 0 355.438 2.795 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Cc2cc(F)cc3c2OCOC3)cc1F ZINC000299331667 511595285 /nfs/dbraw/zinc/59/52/85/511595285.db2.gz MWSFDTCAHLGXMD-UHFFFAOYSA-N 0 0 362.376 2.756 20 10 FFCDRN COC(=O)/C=C/c1ccc(N(C)Cc2nncn2C(C)C)c([N+](=O)[O-])c1 ZINC000292433224 511595790 /nfs/dbraw/zinc/59/57/90/511595790.db2.gz XOXYJIHHXZOZQS-SOFGYWHQSA-N 0 0 359.386 2.590 20 10 FFCDRN CO[C@@](C)(CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C1CC1 ZINC000292500445 511620496 /nfs/dbraw/zinc/62/04/96/511620496.db2.gz JUMPVYQLFVRFBA-KRWDZBQOSA-N 0 0 352.818 2.625 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cn(C)nc1C(C)C ZINC000280847542 511626889 /nfs/dbraw/zinc/62/68/89/511626889.db2.gz XQSQYUVLIZENCK-UHFFFAOYSA-N 0 0 371.485 2.597 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc4nc(C)[nH]c43)CC2)cc1F ZINC000284214196 511645182 /nfs/dbraw/zinc/64/51/82/511645182.db2.gz AMGDSFPLENUUHH-UHFFFAOYSA-N 0 0 368.412 2.981 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COCC(F)(F)F)cc1 ZINC000299692191 511666721 /nfs/dbraw/zinc/66/67/21/511666721.db2.gz WJEHDUMHEJCNNC-MRXNPFEDSA-N 0 0 374.403 2.839 20 10 FFCDRN Cc1c(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cnn1C ZINC000292642553 511670431 /nfs/dbraw/zinc/67/04/31/511670431.db2.gz JNMHBQPKFYRDLL-HXUWFJFHSA-N 0 0 370.497 2.545 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](c4ccccc4F)C3)cc2N1 ZINC000301668351 511699337 /nfs/dbraw/zinc/69/93/37/511699337.db2.gz DCJZQTSGTMSAAM-KRWDZBQOSA-N 0 0 373.340 2.643 20 10 FFCDRN CCc1cc(N(Cc2ccccc2O)C[C@H]2CCCO2)n2ncnc2n1 ZINC000301855290 511702724 /nfs/dbraw/zinc/70/27/24/511702724.db2.gz HXEDJVLRHIRRHM-MRXNPFEDSA-N 0 0 353.426 2.578 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2cc(Cl)nc(N)n2)cc1 ZINC000301869658 511703303 /nfs/dbraw/zinc/70/33/03/511703303.db2.gz WGDPSNXPNJPKIS-HNNXBMFYSA-N 0 0 361.877 2.964 20 10 FFCDRN C[C@@H](Nc1cc(N2CCC[C@H](CO)C2)ncn1)c1ccc(N(C)C)cc1 ZINC000302332211 511708503 /nfs/dbraw/zinc/70/85/03/511708503.db2.gz ADOZVBJMFLRMMK-CVEARBPZSA-N 0 0 355.486 2.924 20 10 FFCDRN C[C@@H](Nc1cc(N2CCC[C@@H](CO)C2)ncn1)c1ccc(N(C)C)cc1 ZINC000302332226 511708525 /nfs/dbraw/zinc/70/85/25/511708525.db2.gz ADOZVBJMFLRMMK-HZPDHXFCSA-N 0 0 355.486 2.924 20 10 FFCDRN CCn1nc(C)c(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 ZINC000296443903 511744723 /nfs/dbraw/zinc/74/47/23/511744723.db2.gz NVQACSFJKZDUMW-ZIAGYGMSSA-N 0 0 361.465 2.649 20 10 FFCDRN CCC[C@H](C)C(=O)NCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000292867077 511750175 /nfs/dbraw/zinc/75/01/75/511750175.db2.gz BRMAMGOSBRTBNA-INIZCTEOSA-N 0 0 360.502 2.638 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1 ZINC000281228144 511766723 /nfs/dbraw/zinc/76/67/23/511766723.db2.gz CCMLUSSDIBSNMF-MRVPVSSYSA-N 0 0 359.354 2.717 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000281348574 511812850 /nfs/dbraw/zinc/81/28/50/511812850.db2.gz NSGZTWMMDLPSHO-UHFFFAOYSA-N 0 0 366.421 2.920 20 10 FFCDRN CC(=O)C1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000293184859 511873312 /nfs/dbraw/zinc/87/33/12/511873312.db2.gz NVYZZRRIRLGPID-ZDUSSCGKSA-N 0 0 352.381 2.742 20 10 FFCDRN Nc1c(F)c(NCc2ccc(N3CCOCC3)c(F)c2)ccc1[N+](=O)[O-] ZINC000274679302 511907114 /nfs/dbraw/zinc/90/71/14/511907114.db2.gz NJTZEJFRLUDHFK-UHFFFAOYSA-N 0 0 364.352 2.904 20 10 FFCDRN Cc1cccnc1CCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000296876610 511933720 /nfs/dbraw/zinc/93/37/20/511933720.db2.gz FYTNDXOEIHKGNM-DHZHZOJOSA-N 0 0 365.477 2.989 20 10 FFCDRN O=C(Nc1ccccc1)NC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000274869407 511970056 /nfs/dbraw/zinc/97/00/56/511970056.db2.gz DHDPPIYHHCQDIS-UHFFFAOYSA-N 0 0 355.394 2.524 20 10 FFCDRN CN(C[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1)C(=O)OC(C)(C)C ZINC000274904244 511982534 /nfs/dbraw/zinc/98/25/34/511982534.db2.gz QVPYOWQUNPJHPT-CYBMUJFWSA-N 0 0 364.442 2.817 20 10 FFCDRN CO[C@@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1(C)C ZINC000297049195 512000775 /nfs/dbraw/zinc/00/07/75/512000775.db2.gz OSYLMAXBWLDALF-MBNRZODZSA-N 0 0 358.482 2.810 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@H]1CCC(F)(F)C1 ZINC000281891535 512002286 /nfs/dbraw/zinc/00/22/86/512002286.db2.gz DOPAJXHCTSFULJ-HNNXBMFYSA-N 0 0 353.413 2.758 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000293567301 512012602 /nfs/dbraw/zinc/01/26/02/512012602.db2.gz VIVGLVBHVAZDED-LBPRGKRZSA-N 0 0 357.406 2.852 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2nnc(C3CC3)[nH]2)cc1F ZINC000297211619 512063806 /nfs/dbraw/zinc/06/38/06/512063806.db2.gz LINQPTJSKAIOIJ-UHFFFAOYSA-N 0 0 360.437 2.667 20 10 FFCDRN COc1ccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)c(O)c1 ZINC000366530061 512074009 /nfs/dbraw/zinc/07/40/09/512074009.db2.gz KAXLFDJBSKXQJY-UHFFFAOYSA-N 0 0 359.407 2.761 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293759301 512076445 /nfs/dbraw/zinc/07/64/45/512076445.db2.gz RDBVGSDTCLZODE-AWEZNQCLSA-N 0 0 357.410 2.988 20 10 FFCDRN O=S(=O)(CCC1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000367461610 512510930 /nfs/dbraw/zinc/51/09/30/512510930.db2.gz YZWJKVQPAXONCI-UHFFFAOYSA-N 0 0 374.453 2.976 20 10 FFCDRN CCOC1CC(C[NH2+][C@@H](CC)c2ccc(F)cc2[O-])(N2CCOCC2)C1 ZINC000375894285 512557284 /nfs/dbraw/zinc/55/72/84/512557284.db2.gz DDBHNHDVRBBHOA-IPCDKGFNSA-N 0 0 366.477 2.842 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n(C)n1 ZINC000369709953 512566540 /nfs/dbraw/zinc/56/65/40/512566540.db2.gz IVAUVAAXKQVAHI-ZDUSSCGKSA-N 0 0 364.396 2.729 20 10 FFCDRN COc1c(O)c(CN2CCC(=O)Nc3cc(F)ccc32)ccc1[N+](=O)[O-] ZINC000378128308 512604806 /nfs/dbraw/zinc/60/48/06/512604806.db2.gz NWJAVAMYVMZYKE-UHFFFAOYSA-N 0 0 361.329 2.797 20 10 FFCDRN Cc1cc(C(=O)Nc2n[nH]c(-c3ccncc3)n2)c(C)n1-c1ccccn1 ZINC000367798258 512667629 /nfs/dbraw/zinc/66/76/29/512667629.db2.gz PNAZFPGHHGPRIA-UHFFFAOYSA-N 0 0 359.393 2.922 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1c1ccco1 ZINC000378517353 512802074 /nfs/dbraw/zinc/80/20/74/512802074.db2.gz PKEMJVUBBIYKOB-ZIAGYGMSSA-N 0 0 363.797 2.944 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnn2c1OCCC2 ZINC000368342144 512905919 /nfs/dbraw/zinc/90/59/19/512905919.db2.gz QKFJNUYUSDLBDK-UHFFFAOYSA-N 0 0 354.454 2.928 20 10 FFCDRN COc1cccc(CNC(=O)N[C@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000374953138 513087355 /nfs/dbraw/zinc/08/73/55/513087355.db2.gz MTEHQFBTLSTYDV-SFHVURJKSA-N 0 0 366.421 2.723 20 10 FFCDRN Cc1cccc(C(=O)N[C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000413531620 513700545 /nfs/dbraw/zinc/70/05/45/513700545.db2.gz MPGHDNCERKQNRK-OAHLLOKOSA-N 0 0 367.449 2.605 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000422372194 513736136 /nfs/dbraw/zinc/73/61/36/513736136.db2.gz AUYDCBROCFGNPW-ZDUSSCGKSA-N 0 0 368.412 2.514 20 10 FFCDRN Cc1cc(F)c(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c(F)c1 ZINC000424059730 514362117 /nfs/dbraw/zinc/36/21/17/514362117.db2.gz GLFSRJBFLTWTPO-UHFFFAOYSA-N 0 0 368.405 2.927 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCOC[C@H]3OC)ccc21 ZINC000452623692 514429137 /nfs/dbraw/zinc/42/91/37/514429137.db2.gz CCSVDLWWEHQWKA-YLJYHZDGSA-N 0 0 374.481 2.686 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2nccnc2cc1F ZINC000470996292 514709298 /nfs/dbraw/zinc/70/92/98/514709298.db2.gz WFPFKPRHHXRTGI-UHFFFAOYSA-N 0 0 352.369 2.874 20 10 FFCDRN CO[C@H](C)c1noc(CCC(=O)NCc2c(C)c3ccccc3n2C)n1 ZINC000471227133 514804486 /nfs/dbraw/zinc/80/44/86/514804486.db2.gz IGVFGSZKFXQMLZ-CYBMUJFWSA-N 0 0 356.426 2.826 20 10 FFCDRN CCc1noc(C)c1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472789667 515398990 /nfs/dbraw/zinc/39/89/90/515398990.db2.gz ORRKRORPKOTUGI-UHFFFAOYSA-N 0 0 354.410 2.600 20 10 FFCDRN CCCC[C@@H](NC(=O)NCC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000473260635 515555343 /nfs/dbraw/zinc/55/53/43/515555343.db2.gz WRGCBWLNJUIKBI-MRXNPFEDSA-N 0 0 358.486 2.981 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C(=O)NC(C)(C)C)ccc21 ZINC000486751604 515618823 /nfs/dbraw/zinc/61/88/23/515618823.db2.gz KBJRNIQVKJNIRC-CQSZACIVSA-N 0 0 373.497 2.938 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000512503035 516297483 /nfs/dbraw/zinc/29/74/83/516297483.db2.gz FTRCRSNDFOVNRJ-ZDUSSCGKSA-N 0 0 363.408 2.655 20 10 FFCDRN CNC(=O)c1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000541065710 516856722 /nfs/dbraw/zinc/85/67/22/516856722.db2.gz MRBUDKIIKZBFIF-UHFFFAOYSA-N 0 0 368.437 2.852 20 10 FFCDRN COc1ccc(CNC(=O)c2nc(C(F)(F)F)n3c2CCCC3)c(O)c1 ZINC000529226490 517015895 /nfs/dbraw/zinc/01/58/95/517015895.db2.gz DUPQPOAKHRMXBI-UHFFFAOYSA-N 0 0 369.343 2.882 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@H]2C)C1 ZINC000527176721 517544858 /nfs/dbraw/zinc/54/48/58/517544858.db2.gz DSAGCMANEBNKGL-HTZUNMPGSA-N 0 0 371.481 2.965 20 10 FFCDRN CCOCc1cc(C[NH2+][C@]2(CO)COc3ccccc3C2)ccc1OC ZINC000527769310 517901899 /nfs/dbraw/zinc/90/18/99/517901899.db2.gz LRCUNTMBKZSRDT-OAQYLSRUSA-N 0 0 357.450 2.688 20 10 FFCDRN COc1cccc2c1CCCN2S(=O)(=O)c1cccc2nsnc21 ZINC000579428565 518673261 /nfs/dbraw/zinc/67/32/61/518673261.db2.gz XXFLMMKBSNOICO-UHFFFAOYSA-N 0 0 361.448 2.841 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N=c3nc[nH]n3C(C)(C)C)ccc21 ZINC000568904663 519275756 /nfs/dbraw/zinc/27/57/56/519275756.db2.gz OSCZTXLPELPQCN-UHFFFAOYSA-N 0 0 369.469 2.925 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000581152151 519547714 /nfs/dbraw/zinc/54/77/14/519547714.db2.gz QVYSFKPUBZUOST-DOTOQJQBSA-N 0 0 353.466 2.894 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@H](O)C34CCC4)ccc21 ZINC000619086498 521391196 /nfs/dbraw/zinc/39/11/96/521391196.db2.gz ZEBNBQAIVNHCTR-OALUTQOASA-N 0 0 356.466 2.938 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000738103357 598914562 /nfs/dbraw/zinc/91/45/62/598914562.db2.gz JBQXDTXOZARNFE-UHFFFAOYSA-N 0 0 361.409 2.565 20 10 FFCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CC=CC3)cc2)c(-c2nn[nH]n2)c1 ZINC000738371622 598973668 /nfs/dbraw/zinc/97/36/68/598973668.db2.gz UROPQEHNVLZSSG-UHFFFAOYSA-N 0 0 363.381 2.763 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000736479878 598423270 /nfs/dbraw/zinc/42/32/70/598423270.db2.gz KWEQYTPGOSJSEP-UHFFFAOYSA-N 0 0 351.410 2.554 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)cc2)cc1F ZINC000736532455 598556684 /nfs/dbraw/zinc/55/66/84/598556684.db2.gz SFCKFBAMQIOYJE-UHFFFAOYSA-N 0 0 368.416 2.782 20 10 FFCDRN Clc1ccc(NCc2ccc(N3CCOCC3)cc2)c(-c2nn[nH]n2)c1 ZINC000737576165 598794774 /nfs/dbraw/zinc/79/47/74/598794774.db2.gz WTUNWMPRCFSXAA-UHFFFAOYSA-N 0 0 370.844 2.969 20 10 FFCDRN CCOc1ccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[nH]n2)cc1 ZINC000821422494 607452548 /nfs/dbraw/zinc/45/25/48/607452548.db2.gz XJKKMIMWFKFXSG-UHFFFAOYSA-N 0 0 370.413 2.550 20 10 FFCDRN COc1ccc(N2CC[NH+]([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)cc1F ZINC000832384042 601551645 /nfs/dbraw/zinc/55/16/45/601551645.db2.gz QRPZUFXRYOHRAO-GOSISDBHSA-N 0 0 362.376 2.921 20 10 FFCDRN C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H]3CCCN3C(=O)[O-])cc2F)C[C@@H](C)O1 ZINC000739198024 602049940 /nfs/dbraw/zinc/04/99/40/602049940.db2.gz ZSOHXDFPNQTGRE-FMKPAKJESA-N 0 0 365.449 2.671 20 10 FFCDRN CC(C)[C@@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738794433 602792014 /nfs/dbraw/zinc/79/20/14/602792014.db2.gz QGLUQTJOYFBCCL-OAHLLOKOSA-N 0 0 364.446 2.967 20 10 FFCDRN CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)NC(=O)[O-] ZINC000825484570 604334711 /nfs/dbraw/zinc/33/47/11/604334711.db2.gz JFCRBCCXXPPEOP-XJKSGUPXSA-N 0 0 353.438 2.605 20 10 FFCDRN C[C@H]([NH2+][C@H](CNC(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000825471941 604359254 /nfs/dbraw/zinc/35/92/54/604359254.db2.gz DLFLMMFKOKNHFO-YVEFUNNKSA-N 0 0 367.877 2.873 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCC[C@H]1CNC(=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000825473509 604371983 /nfs/dbraw/zinc/37/19/83/604371983.db2.gz RHTNHPOFQGFLOQ-JLJPHGGASA-N 0 0 365.449 2.749 20 10 FFCDRN O=C([O-])N1CC[C@@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000831947590 605857616 /nfs/dbraw/zinc/85/76/16/605857616.db2.gz JTKSCRTUZWXLBJ-CHWSQXEVSA-N 0 0 355.385 2.599 20 10 FFCDRN Cc1cc(C(=O)NCC2(C)CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822177084 606579961 /nfs/dbraw/zinc/57/99/61/606579961.db2.gz TZEJBNTZXWUJRS-UHFFFAOYSA-N 0 0 350.426 2.804 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000152517717 728760429 /nfs/dbraw/zinc/76/04/29/728760429.db2.gz SACCTZNKIDMGGT-VQIMIIECSA-N 0 0 363.527 2.915 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CCO)CSC)c2C)cc1 ZINC000153077407 728771719 /nfs/dbraw/zinc/77/17/19/728771719.db2.gz WMHALYFQUHHTBZ-HNNXBMFYSA-N 0 0 362.495 2.947 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000154105592 728796187 /nfs/dbraw/zinc/79/61/87/728796187.db2.gz POSIYJASUXJATJ-UHFFFAOYSA-N 0 0 355.825 2.971 20 10 FFCDRN Cc1c(CCC(=O)NCc2ccc(N3CCSCC3)cc2)cnn1C ZINC000155354356 728826506 /nfs/dbraw/zinc/82/65/06/728826506.db2.gz SJHIGXANTRANRX-UHFFFAOYSA-N 0 0 358.511 2.531 20 10 FFCDRN O=C(COc1ccc(Br)cc1F)NCc1ccc(O)c(O)c1 ZINC000158930906 728897329 /nfs/dbraw/zinc/89/73/29/728897329.db2.gz SPJBOHPQEOFWNP-UHFFFAOYSA-N 0 0 370.174 2.695 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)nc2)c1 ZINC000161162979 728929662 /nfs/dbraw/zinc/92/96/62/728929662.db2.gz VTNQQMGWMONDNR-SNVBAGLBSA-N 0 0 356.831 2.630 20 10 FFCDRN COC1([C@@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1 ZINC000898003111 735302204 /nfs/dbraw/zinc/30/22/04/735302204.db2.gz ZSEHGOYKXGNFFV-SNVBAGLBSA-N 0 0 351.424 2.626 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CCOC12CCOCC2 ZINC000898112292 735315379 /nfs/dbraw/zinc/31/53/79/735315379.db2.gz LYBJJPLXJDUFBP-ZDUSSCGKSA-N 0 0 360.223 2.722 20 10 FFCDRN O=c1cc(N2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])C2)nc[nH]1 ZINC000898159133 735320233 /nfs/dbraw/zinc/32/02/33/735320233.db2.gz OQVSSUYAVDOZRS-NSHDSACASA-N 0 0 355.225 2.563 20 10 FFCDRN CC[C@H](O)CCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000745591942 735431208 /nfs/dbraw/zinc/43/12/08/735431208.db2.gz DEMLNFDGBCXSHK-KRWDZBQOSA-N 0 0 351.516 2.590 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)CC[S@](C)=O)c2C)cc1 ZINC000746007260 735457560 /nfs/dbraw/zinc/45/75/60/735457560.db2.gz NGIHVVFHRCXDQJ-SHZVTRLKSA-N 0 0 362.495 2.990 20 10 FFCDRN COCCN(CC(=O)N(C(C)C)C(C)C)c1ccc(OC)c(OC)c1 ZINC000746474207 735486820 /nfs/dbraw/zinc/48/68/20/735486820.db2.gz FFHABOBNFCUKRL-UHFFFAOYSA-N 0 0 352.475 2.802 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CCC(=O)N1CCc2sccc2C1 ZINC000056878568 728105415 /nfs/dbraw/zinc/10/54/15/728105415.db2.gz WYQWEZOHSNGFMI-UHFFFAOYSA-N 0 0 358.463 2.777 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)Cc3ccccc3)C2)cc1 ZINC000062575208 728133308 /nfs/dbraw/zinc/13/33/08/728133308.db2.gz ZIRLXCQPSBUNRR-QGZVFWFLSA-N 0 0 360.479 2.641 20 10 FFCDRN COc1cccc(CNC(=O)NCCOc2ccc(Cl)cc2)c1O ZINC000073525544 728222179 /nfs/dbraw/zinc/22/21/79/728222179.db2.gz BUMWQASQJGCYEI-UHFFFAOYSA-N 0 0 350.802 2.932 20 10 FFCDRN COc1ccc(O)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000080141246 728322664 /nfs/dbraw/zinc/32/26/64/728322664.db2.gz CNMIVXMQFGECPB-UHFFFAOYSA-N 0 0 358.463 2.884 20 10 FFCDRN CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)/C=C/c1cncc(F)c1 ZINC000105367954 728504946 /nfs/dbraw/zinc/50/49/46/728504946.db2.gz VGLDXTQXCDZZLG-QPJJXVBHSA-N 0 0 360.410 2.617 20 10 FFCDRN CSCc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000109408148 728527210 /nfs/dbraw/zinc/52/72/10/728527210.db2.gz JKFVMIWRSHWEIS-UHFFFAOYSA-N 0 0 357.479 2.871 20 10 FFCDRN Cc1sc2[nH]c(CCC(=O)NCc3ccccc3O)nc(=O)c2c1C ZINC000109674932 728528615 /nfs/dbraw/zinc/52/86/15/728528615.db2.gz QWPLEFUJSKSDKV-UHFFFAOYSA-N 0 0 357.435 2.556 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C1CCN(CC(F)(F)F)CC1 ZINC000115281002 728564754 /nfs/dbraw/zinc/56/47/54/728564754.db2.gz AONCHFGSBRQVRL-UHFFFAOYSA-N 0 0 357.420 2.952 20 10 FFCDRN COc1cc(Br)cc(CN(C)CC(=O)NC(C)(C)C)c1O ZINC000120653212 728613862 /nfs/dbraw/zinc/61/38/62/728613862.db2.gz DWAKDXYMJJIHCC-UHFFFAOYSA-N 0 0 359.264 2.510 20 10 FFCDRN CN(CC(=O)Nc1ccc(Br)cn1)c1ccc2c(c1)OCO2 ZINC000121345902 728624937 /nfs/dbraw/zinc/62/49/37/728624937.db2.gz QRFUPFLFXUMXBD-UHFFFAOYSA-N 0 0 364.199 2.648 20 10 FFCDRN COc1cc(C(=O)NCCc2ccc(O)c(O)c2)sc1Br ZINC000122217597 728645200 /nfs/dbraw/zinc/64/52/00/728645200.db2.gz ZDMHJQUOYNTYRU-UHFFFAOYSA-N 0 0 372.240 2.903 20 10 FFCDRN CCCn1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)cn1 ZINC000123217013 728656554 /nfs/dbraw/zinc/65/65/54/728656554.db2.gz WJQQPHNGTJVCAE-UHFFFAOYSA-N 0 0 351.834 2.827 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2nccn2C(F)F)cc1F ZINC000125345584 728682573 /nfs/dbraw/zinc/68/25/73/728682573.db2.gz ATXNWDFJGMVZKX-UHFFFAOYSA-N 0 0 355.364 2.825 20 10 FFCDRN CC(C)(C)C[C@@H](CO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000128455765 728708849 /nfs/dbraw/zinc/70/88/49/728708849.db2.gz FRJJMAMIAFUOEV-INIZCTEOSA-N 0 0 365.543 2.836 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1O ZINC000129876339 728713815 /nfs/dbraw/zinc/71/38/15/728713815.db2.gz XEHQQTKYAKEYPX-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCCN(C)Cc2c(O)cccc2Cl)cc1 ZINC000131250135 728721864 /nfs/dbraw/zinc/72/18/64/728721864.db2.gz PXDUSMCZAFJPPG-UHFFFAOYSA-N 0 0 368.886 2.764 20 10 FFCDRN C[S@@](=O)Cc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000131803817 728723009 /nfs/dbraw/zinc/72/30/09/728723009.db2.gz RPIVTSRHAOITHG-VWLOTQADSA-N 0 0 358.463 2.654 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000134611159 728731429 /nfs/dbraw/zinc/73/14/29/728731429.db2.gz VGEXZFWESXJRFD-VIFPVBQESA-N 0 0 366.776 2.576 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCC[C@H](C)[S@@](C)=O)c2C)cc1 ZINC000134630248 728731640 /nfs/dbraw/zinc/73/16/40/728731640.db2.gz DPTYCBJIKDAHND-SXBQZSJRSA-N 0 0 362.495 2.990 20 10 FFCDRN C[C@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000134913713 728734062 /nfs/dbraw/zinc/73/40/62/728734062.db2.gz AUZZCHBPCBACHJ-RQJHMYQMSA-N 0 0 353.054 2.949 20 10 FFCDRN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1Cl ZINC000135278929 728737084 /nfs/dbraw/zinc/73/70/84/728737084.db2.gz UQLKQXPGPGPGIM-SNVBAGLBSA-N 0 0 368.842 2.908 20 10 FFCDRN N#Cc1ccc(S(=O)(=O)NCCCSc2nccs2)c(F)c1 ZINC000151188291 728744496 /nfs/dbraw/zinc/74/44/96/728744496.db2.gz RXBBMKZRJKMSGH-UHFFFAOYSA-N 0 0 357.457 2.615 20 10 FFCDRN CC(C)c1cccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c1 ZINC000172883623 729033814 /nfs/dbraw/zinc/03/38/14/729033814.db2.gz KBKKYWWXUCBNIH-UHFFFAOYSA-N 0 0 368.480 2.982 20 10 FFCDRN Cc1nc(C)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000175738566 729100902 /nfs/dbraw/zinc/10/09/02/729100902.db2.gz YQRLJRUFPMKEHD-UHFFFAOYSA-N 0 0 351.497 2.839 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1cccc2[nH]ccc21 ZINC000177761940 729145949 /nfs/dbraw/zinc/14/59/49/729145949.db2.gz KDEIOUHJJMQHMF-UHFFFAOYSA-N 0 0 360.464 2.862 20 10 FFCDRN COC(=O)C[C@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)CCO1 ZINC000177779393 729146170 /nfs/dbraw/zinc/14/61/70/729146170.db2.gz YMJPIBAIRYPDCE-AWEZNQCLSA-N 0 0 362.451 2.560 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1nc(-c2ccncc2)cs1 ZINC000181018085 729231082 /nfs/dbraw/zinc/23/10/82/729231082.db2.gz NOMYZQDUFUXENE-DUXPYHPUSA-N 0 0 353.403 2.946 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2ccccn2)n1 ZINC000183439172 729304535 /nfs/dbraw/zinc/30/45/35/729304535.db2.gz HLPORWCJVGTKRI-NSHDSACASA-N 0 0 355.419 2.977 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(-c2ccccn2)s1 ZINC000186403788 729364528 /nfs/dbraw/zinc/36/45/28/729364528.db2.gz PWSMIGVTGYNTMF-LLVKDONJSA-N 0 0 355.419 2.977 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn2ccnc2s1 ZINC000189949786 729403897 /nfs/dbraw/zinc/40/38/97/729403897.db2.gz ADFGOGPGUFYXGJ-UHFFFAOYSA-N 0 0 356.451 2.505 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000193957805 729495307 /nfs/dbraw/zinc/49/53/07/729495307.db2.gz DQVOLRDGKOYYGP-FORDYWAESA-N 0 0 366.414 2.727 20 10 FFCDRN C[NH+]1CCN(c2ccc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])cn2)CC1 ZINC000294253263 729722039 /nfs/dbraw/zinc/72/20/39/729722039.db2.gz NKBVOQHEILPINR-UHFFFAOYSA-N 0 0 364.852 2.621 20 10 FFCDRN CCN1CCN(Cc2cc(C)cc(Br)c2O)C(C)(C)C1=O ZINC000779198180 738442926 /nfs/dbraw/zinc/44/29/26/738442926.db2.gz APROHQMBWQIYID-UHFFFAOYSA-N 0 0 355.276 2.906 20 10 FFCDRN Cn1c(CNC(=O)/C=C/c2ccc(O)c(O)c2)nc2cc(Cl)ccc21 ZINC000779232007 738445316 /nfs/dbraw/zinc/44/53/16/738445316.db2.gz QZRMNHCOQGFAQG-XVNBXDOJSA-N 0 0 357.797 2.968 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2c(Cl)oc3ccccc32)SC1=S ZINC000761181918 736704422 /nfs/dbraw/zinc/70/44/22/736704422.db2.gz UEFLAKUJCMSLKO-BJMVGYQFSA-N 0 0 352.824 2.773 20 10 FFCDRN C[C@H](C[C@H]1CCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761447832 736735822 /nfs/dbraw/zinc/73/58/22/736735822.db2.gz KNPBYWIQBVHKFT-VXGBXAGGSA-N 0 0 352.818 2.625 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c(C)n1-c1ccccn1 ZINC000857309092 730390547 /nfs/dbraw/zinc/39/05/47/730390547.db2.gz OXOXXIKJRWGYGZ-WHEFHEQHSA-N 0 0 359.495 2.909 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cnc([C@@H](C)O)s3)CC2)cc1 ZINC000857439815 730397595 /nfs/dbraw/zinc/39/75/95/730397595.db2.gz GQDPWMRBRNEFQY-CYBMUJFWSA-N 0 0 361.467 2.558 20 10 FFCDRN Oc1cccc(Br)c1C[NH2+][C@@H]1CCN(CC(F)(F)F)C1 ZINC000858116544 730416950 /nfs/dbraw/zinc/41/69/50/730416950.db2.gz NZMZLNYLYREEDN-SECBINFHSA-N 0 0 353.182 2.881 20 10 FFCDRN Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(C)cc(Br)c2[O-])n1 ZINC000858326684 730422736 /nfs/dbraw/zinc/42/27/36/730422736.db2.gz AVGATZGDKUJQRT-GXTWGEPZSA-N 0 0 368.231 2.774 20 10 FFCDRN COCCNS(=O)(=O)c1cccc(NCc2cc(C)c(C)cc2O)c1 ZINC000858337997 730423194 /nfs/dbraw/zinc/42/31/94/730423194.db2.gz ADQKZQXTEULMAY-UHFFFAOYSA-N 0 0 364.467 2.546 20 10 FFCDRN CON(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000858587399 730429367 /nfs/dbraw/zinc/42/93/67/730429367.db2.gz MXTUIJPPHIIIJT-HTQZYQBOSA-N 0 0 365.655 2.867 20 10 FFCDRN O=C(NCC[C@H]1CCCOC1)NCc1cc(Br)ccc1O ZINC000858667219 730431163 /nfs/dbraw/zinc/43/11/63/730431163.db2.gz SNQUCEZUODWMNN-LLVKDONJSA-N 0 0 357.248 2.771 20 10 FFCDRN COCC[C@H](C)S(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000859363075 730452011 /nfs/dbraw/zinc/45/20/11/730452011.db2.gz RSPQTCLKAZYZOZ-HNNXBMFYSA-N 0 0 350.484 2.939 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000860693511 730538086 /nfs/dbraw/zinc/53/80/86/730538086.db2.gz CXQIASGDUWWWTJ-JTQLQIEISA-N 0 0 354.328 2.802 20 10 FFCDRN C[C@H](NC(=O)/C=C/c1ccc(S(C)(=O)=O)o1)c1ccc(N(C)C)cc1 ZINC000860950668 730561307 /nfs/dbraw/zinc/56/13/07/730561307.db2.gz QBAHCXGOOXWZEY-STRFDMGBSA-N 0 0 362.451 2.640 20 10 FFCDRN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862237467 730679716 /nfs/dbraw/zinc/67/97/16/730679716.db2.gz QFQMTJKZWDQJQG-GFCCVEGCSA-N 0 0 355.276 2.893 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCCC[C@@H]2CN2CCOCC2)cc1F ZINC000862238712 730680015 /nfs/dbraw/zinc/68/00/15/730680015.db2.gz GTSHOXSDFKNFLG-MRXNPFEDSA-N 0 0 353.457 2.718 20 10 FFCDRN CO[C@@H]1CC[C@@H]2OCCN(Cc3c(O)cccc3Br)[C@@H]2C1 ZINC000862252759 730682206 /nfs/dbraw/zinc/68/22/06/730682206.db2.gz GRGMOOAUUVZMPT-XFJVYGCCSA-N 0 0 356.260 2.923 20 10 FFCDRN COC(=O)[C@@H](COC(C)C)N(C)Cc1c(O)cccc1Br ZINC000862254219 730682720 /nfs/dbraw/zinc/68/27/20/730682720.db2.gz WPJIXBJFWRBFBJ-CYBMUJFWSA-N 0 0 360.248 2.553 20 10 FFCDRN O=C1CCC[C@H]1[C@@H]1COCCN1Cc1c(O)cccc1Br ZINC000862337083 730689724 /nfs/dbraw/zinc/68/97/24/730689724.db2.gz QITNBMGLTFYUQA-FZMZJTMJSA-N 0 0 354.244 2.725 20 10 FFCDRN CC1(C)CCN(Cc2c(O)cccc2Br)CCS1(=O)=O ZINC000862349620 730690443 /nfs/dbraw/zinc/69/04/43/730690443.db2.gz JHARAGRZQPQIQC-UHFFFAOYSA-N 0 0 362.289 2.554 20 10 FFCDRN CS(=O)(=O)C[C@@H]1CCCCN1Cc1c(O)cccc1Br ZINC000862387244 730695644 /nfs/dbraw/zinc/69/56/44/730695644.db2.gz IQTBQICYZUTNMA-NSHDSACASA-N 0 0 362.289 2.554 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2cn(C)nc2Br)cc1 ZINC000862402168 730697646 /nfs/dbraw/zinc/69/76/46/730697646.db2.gz DOQBCRBHDDXQPM-UHFFFAOYSA-N 0 0 367.291 2.759 20 10 FFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000862536321 730707397 /nfs/dbraw/zinc/70/73/97/730707397.db2.gz JNENKKNGSQRFCA-MRXNPFEDSA-N 0 0 365.836 2.570 20 10 FFCDRN C[C@@H]1[NH2+]CC[C@H]1NCc1cc(Br)cc(Br)c1[O-] ZINC000863487714 730785657 /nfs/dbraw/zinc/78/56/57/730785657.db2.gz VLAHRODFXMWVEZ-WRWORJQWSA-N 0 0 364.081 2.757 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ncc(Br)s2)cc1 ZINC000866169499 731037168 /nfs/dbraw/zinc/03/71/68/731037168.db2.gz KDZYRPKKZIOQOF-UHFFFAOYSA-N 0 0 369.288 2.971 20 10 FFCDRN CC(C)n1ncc(C(=O)NCc2ccc(O)c(O)c2)c1Br ZINC000866769652 731097438 /nfs/dbraw/zinc/09/74/38/731097438.db2.gz NWJBAVJTDBHHDA-UHFFFAOYSA-N 0 0 354.204 2.568 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCOC1 ZINC000779979699 738503856 /nfs/dbraw/zinc/50/38/56/738503856.db2.gz DLLCCJKZWPDRDP-DOTOQJQBSA-N 0 0 363.527 2.854 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(C(F)F)o3)C2)cc1 ZINC000867496469 731191895 /nfs/dbraw/zinc/19/18/95/731191895.db2.gz CYTSKDRSTNWLPM-NSHDSACASA-N 0 0 372.393 2.783 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)C[C@H]3CCC(F)(F)C3)C2)cc1 ZINC000867496660 731191906 /nfs/dbraw/zinc/19/19/06/731191906.db2.gz GSHYONNYHBORPD-UONOGXRCSA-N 0 0 374.453 2.629 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cc(CO)on3)cc2Cl)C1 ZINC000868064747 731256017 /nfs/dbraw/zinc/25/60/17/731256017.db2.gz FHTXQARTQPZGGN-LBPRGKRZSA-N 0 0 363.845 2.987 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccsc1COC ZINC000868966585 731350031 /nfs/dbraw/zinc/35/00/31/731350031.db2.gz SKBYTGJGCAFRRJ-UHFFFAOYSA-N 0 0 363.435 2.806 20 10 FFCDRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N1Cc2cccc(O)c2C1 ZINC000871203040 731605693 /nfs/dbraw/zinc/60/56/93/731605693.db2.gz LCMMEDHUCGJRJR-UHFFFAOYSA-N 0 0 353.344 2.853 20 10 FFCDRN COc1ccc(N2CC[C@H](Nc3nc(Cl)nc4c3cnn4C)C2)cc1 ZINC000872594306 731797260 /nfs/dbraw/zinc/79/72/60/731797260.db2.gz QGBLPHQMNXLNGO-NSHDSACASA-N 0 0 358.833 2.716 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)/C=C3/SCC(=O)N3C)cc2)CC1 ZINC000874446067 732058758 /nfs/dbraw/zinc/05/87/58/732058758.db2.gz WBUUBQKAMPQRDK-YBFXNURJSA-N 0 0 359.495 2.586 20 10 FFCDRN Nc1cc(C(=O)NCCCSc2nccs2)cc(Br)n1 ZINC000874464579 732061208 /nfs/dbraw/zinc/06/12/08/732061208.db2.gz DTVMTDVOUGFUQZ-UHFFFAOYSA-N 0 0 373.301 2.795 20 10 FFCDRN COC(=O)CN(Cc1ccc(Cl)nn1)Cc1cc(Cl)ccc1O ZINC000876714739 732271610 /nfs/dbraw/zinc/27/16/10/732271610.db2.gz CQHKDVIWYYCCSW-UHFFFAOYSA-N 0 0 356.209 2.664 20 10 FFCDRN O=[N+]([O-])c1cnn(C2CC([NH2+]Cc3cccc(Br)c3[O-])C2)c1 ZINC000877478497 732369339 /nfs/dbraw/zinc/36/93/39/732369339.db2.gz JJNPFRJZMVBUGE-UHFFFAOYSA-N 0 0 367.203 2.753 20 10 FFCDRN OC1CCN(c2ccc(CN3CCc4cc(Cl)nnc4C3)cc2)CC1 ZINC000877604793 732397209 /nfs/dbraw/zinc/39/72/09/732397209.db2.gz RNFORAPVYJJFNE-UHFFFAOYSA-N 0 0 358.873 2.649 20 10 FFCDRN Cn1cc(C(F)F)c(CNCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000877732997 732421119 /nfs/dbraw/zinc/42/11/19/732421119.db2.gz MQIUVPJWOPOVSP-UHFFFAOYSA-N 0 0 350.413 2.609 20 10 FFCDRN COc1cc(Cl)cc(C[N@@H+]2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1O ZINC000877774993 732427424 /nfs/dbraw/zinc/42/74/24/732427424.db2.gz IERSZHZGVQIENR-AWEZNQCLSA-N 0 0 366.767 2.697 20 10 FFCDRN CN(Cc1nccn1CC(F)F)Cc1ccc(N2CCOCC2)cc1 ZINC000877923297 732452597 /nfs/dbraw/zinc/45/25/97/732452597.db2.gz NAQDHWDKSPETOD-UHFFFAOYSA-N 0 0 350.413 2.617 20 10 FFCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCC[C@H](C(F)(F)F)O1 ZINC000926404579 738611410 /nfs/dbraw/zinc/61/14/10/738611410.db2.gz ZJJHYQIIFNNAAP-TVQRCGJNSA-N 0 0 350.312 2.831 20 10 FFCDRN COc1cc(N(C)C[C@H]2CC3(CO2)CCOCC3)cc(OC)c1OC ZINC000878128323 732486594 /nfs/dbraw/zinc/48/65/94/732486594.db2.gz BURVWHLLCUPUTG-OAHLLOKOSA-N 0 0 351.443 2.734 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cccn2nccc12 ZINC000878292627 732509984 /nfs/dbraw/zinc/50/99/84/732509984.db2.gz OLKMEDCDCIXZJS-UHFFFAOYSA-N 0 0 352.463 2.818 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000781635598 738643698 /nfs/dbraw/zinc/64/36/98/738643698.db2.gz KIXAYROAOTZHAW-CJNGLKHVSA-N 0 0 356.260 2.891 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000781905949 738670181 /nfs/dbraw/zinc/67/01/81/738670181.db2.gz SAOASAZFNNVESE-KGLIPLIRSA-N 0 0 353.260 2.706 20 10 FFCDRN COc1cccc(CNS(=O)(=O)CC[C@@H]2CCc3ccccc32)c1O ZINC000881917967 733136294 /nfs/dbraw/zinc/13/62/94/733136294.db2.gz YCFCANICWHQWGX-HNNXBMFYSA-N 0 0 361.463 2.940 20 10 FFCDRN CC(=O)NC1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882955641 733314170 /nfs/dbraw/zinc/31/41/70/733314170.db2.gz OWTYHSSPIUAKCE-UHFFFAOYSA-N 0 0 359.239 2.831 20 10 FFCDRN O=C1OCCN1CCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000882970069 733316680 /nfs/dbraw/zinc/31/66/80/733316680.db2.gz OWOKSGALYGPTEY-UHFFFAOYSA-N 0 0 363.639 2.740 20 10 FFCDRN Cc1ccc(F)cc1COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000782262430 738703905 /nfs/dbraw/zinc/70/39/05/738703905.db2.gz RBVJFCJTUCOXFN-UHFFFAOYSA-N 0 0 353.371 2.568 20 10 FFCDRN COC[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])[C@@H]1CCCOC1 ZINC000886355509 733776456 /nfs/dbraw/zinc/77/64/56/733776456.db2.gz JPGZILVVPULBJV-YGRLFVJLSA-N 0 0 362.239 2.825 20 10 FFCDRN C[C@@H](N[C@@H](CCO)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000886796743 733838158 /nfs/dbraw/zinc/83/81/58/733838158.db2.gz IVFJSTQYBSPALI-ABAIWWIYSA-N 0 0 350.356 2.626 20 10 FFCDRN CC(C)c1ncc(Cl)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)n1 ZINC000783266765 738796650 /nfs/dbraw/zinc/79/66/50/738796650.db2.gz WFNWRCLWDZIKIS-UHFFFAOYSA-N 0 0 350.758 2.704 20 10 FFCDRN CC(=O)N[C@@H](CC(=O)NCc1cccc(Cl)c1O)c1cccs1 ZINC000890757747 734336310 /nfs/dbraw/zinc/33/63/10/734336310.db2.gz KITUPUALRUNTCG-ZDUSSCGKSA-N 0 0 352.843 2.991 20 10 FFCDRN CC(C)(C)OC(=O)[C@]1(C(=O)NCc2cccc(Cl)c2O)CCCO1 ZINC000890761808 734337145 /nfs/dbraw/zinc/33/71/45/734337145.db2.gz YSGNQVONWKYXTJ-QGZVFWFLSA-N 0 0 355.818 2.553 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCCN2CCSC[C@H]12 ZINC000720426011 734379147 /nfs/dbraw/zinc/37/91/47/734379147.db2.gz VSODKSLELBYYOR-ZIAGYGMSSA-N 0 0 357.317 2.824 20 10 FFCDRN Cc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2)c(O)c1O ZINC000727006005 734459264 /nfs/dbraw/zinc/45/92/64/734459264.db2.gz ZGTVCOVIMJDYMS-UHFFFAOYSA-N 0 0 363.797 2.575 20 10 FFCDRN Nc1ccc2c(c1)OCCN(C(=O)NCCCSc1nccs1)C2 ZINC000891673825 734460189 /nfs/dbraw/zinc/46/01/89/734460189.db2.gz BGPKPUXSZYWQOK-UHFFFAOYSA-N 0 0 364.496 2.812 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000727170758 734469712 /nfs/dbraw/zinc/46/97/12/734469712.db2.gz YACRNBWEMRXREV-UHFFFAOYSA-N 0 0 361.463 2.989 20 10 FFCDRN CC(C)CCOc1ccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cc1 ZINC000727176246 734470127 /nfs/dbraw/zinc/47/01/27/734470127.db2.gz IGMARMCCTHRRDP-ZROIWOOFSA-N 0 0 364.492 2.798 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000891979970 734503214 /nfs/dbraw/zinc/50/32/14/734503214.db2.gz YIVSDSZBZMYNJC-JTQLQIEISA-N 0 0 365.783 2.729 20 10 FFCDRN CCC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000727987660 734510765 /nfs/dbraw/zinc/51/07/65/734510765.db2.gz YWGRVHQFYJQNBH-QGZVFWFLSA-N 0 0 361.511 2.555 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1CCOCC1(C)C ZINC000728285837 734521807 /nfs/dbraw/zinc/52/18/07/734521807.db2.gz XDBYUSKZASGOEH-UHFFFAOYSA-N 0 0 361.511 2.996 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC3(CNC(=O)O3)CC2)c1 ZINC000783721797 738829260 /nfs/dbraw/zinc/82/92/60/738829260.db2.gz OPKRKXUTURPBLR-UHFFFAOYSA-N 0 0 355.232 2.538 20 10 FFCDRN OCc1cnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000892703970 734593233 /nfs/dbraw/zinc/59/32/33/734593233.db2.gz DQQHULWPDKFMLG-LBPRGKRZSA-N 0 0 350.369 2.651 20 10 FFCDRN CCOc1ccc(C[C@H](CNC(=O)C2=CC(=O)CS2)C(=O)OC)cc1 ZINC000732277477 734729623 /nfs/dbraw/zinc/72/96/23/734729623.db2.gz JEGUOXDYSFTVJW-CYBMUJFWSA-N 0 0 363.435 2.614 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1ccc(CCO)cc1 ZINC000893645472 734732022 /nfs/dbraw/zinc/73/20/22/734732022.db2.gz JMAWEHWSEHOXEV-UHFFFAOYSA-N 0 0 351.497 2.660 20 10 FFCDRN Cc1c(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)cccc1[N+](=O)[O-] ZINC000732354839 734736746 /nfs/dbraw/zinc/73/67/46/734736746.db2.gz SYCRWFQAEKQNQU-SECBINFHSA-N 0 0 350.352 2.854 20 10 FFCDRN CN(Cc1sc(N2CCOCC2)nc1Cl)Cc1ccccc1O ZINC000893962527 734778659 /nfs/dbraw/zinc/77/86/59/734778659.db2.gz PJOZLSDGMVKUFZ-UHFFFAOYSA-N 0 0 353.875 2.971 20 10 FFCDRN COC(=O)c1cnc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000894209116 734818480 /nfs/dbraw/zinc/81/84/80/734818480.db2.gz NQHBFFOMNMTBPD-ZDUSSCGKSA-N 0 0 361.467 2.617 20 10 FFCDRN CCN(CC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(=O)OC(C)(C)C ZINC000734549052 734902279 /nfs/dbraw/zinc/90/22/79/734902279.db2.gz RBQNJGKLBOQNLL-LBPRGKRZSA-N 0 0 352.431 2.835 20 10 FFCDRN CC(C)OC[C@H](CO)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894783575 734916060 /nfs/dbraw/zinc/91/60/60/734916060.db2.gz VYGSIBVEAMILAS-LBPRGKRZSA-N 0 0 350.228 2.512 20 10 FFCDRN O=C(Cc1ccn(CC(F)(F)F)n1)NCCCSc1nccs1 ZINC000894800007 734919853 /nfs/dbraw/zinc/91/98/53/734919853.db2.gz HQQCMSNRXMHGQP-UHFFFAOYSA-N 0 0 364.418 2.743 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]Cc1nc(Br)nn1C ZINC000895014835 734952413 /nfs/dbraw/zinc/95/24/13/734952413.db2.gz OSRCJZSUELPKBC-LBPRGKRZSA-N 0 0 366.307 2.673 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@@H]1CCCCS1 ZINC000784218560 738870419 /nfs/dbraw/zinc/87/04/19/738870419.db2.gz CGHKGCAYXFSCLY-HNNXBMFYSA-N 0 0 367.490 2.747 20 10 FFCDRN O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc2cc(O)c(O)cc2s1 ZINC000895772703 735053873 /nfs/dbraw/zinc/05/38/73/735053873.db2.gz JDNZOUZYABEDIM-LBPRGKRZSA-N 0 0 359.407 2.940 20 10 FFCDRN CC[C@@H](C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000739962693 735063802 /nfs/dbraw/zinc/06/38/02/735063802.db2.gz OFRJBAZJNGFDPC-CJNGLKHVSA-N 0 0 374.934 2.976 20 10 FFCDRN CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896377476 735148690 /nfs/dbraw/zinc/14/86/90/735148690.db2.gz LDXVRLRRVKYOBN-JQWIXIFHSA-N 0 0 362.451 2.689 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC2(CC1)C[C@@H](O)CCO2 ZINC000897259151 735211747 /nfs/dbraw/zinc/21/17/47/735211747.db2.gz YEWWGFOPRZMZAD-ZDUSSCGKSA-N 0 0 374.250 2.800 20 10 FFCDRN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CC2(CCOCC2)O1 ZINC000897610512 735254433 /nfs/dbraw/zinc/25/44/33/735254433.db2.gz NOCJGIMAJBVDOU-LLVKDONJSA-N 0 0 363.435 2.723 20 10 FFCDRN CC(C)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)[C@H](O)C(F)(F)F ZINC000897669340 735262257 /nfs/dbraw/zinc/26/22/57/735262257.db2.gz RFEKPPKFPPVZSK-STQMWFEESA-N 0 0 363.357 2.990 20 10 FFCDRN Cc1ccc(-n2cnnc2SCC(=O)NCc2ccccc2O)cc1 ZINC000748345236 735636553 /nfs/dbraw/zinc/63/65/53/735636553.db2.gz AJPVDXSBEYSFHQ-UHFFFAOYSA-N 0 0 354.435 2.690 20 10 FFCDRN CN(CC(C)(C)CNC(=O)C1=CC(=O)CS1)C(=O)C1=CC(=O)CS1 ZINC000748399820 735643291 /nfs/dbraw/zinc/64/32/91/735643291.db2.gz WKKYGLNROOMLTG-UHFFFAOYSA-N 0 0 368.480 2.749 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(-c2nccs2)cc1 ZINC000748485499 735649271 /nfs/dbraw/zinc/64/92/71/735649271.db2.gz HRZWNKAVTKVKDO-UHFFFAOYSA-N 0 0 353.403 2.771 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000748486097 735649490 /nfs/dbraw/zinc/64/94/90/735649490.db2.gz MRWQQNZVLXCXSI-UHFFFAOYSA-N 0 0 354.284 2.546 20 10 FFCDRN CC1=C(C(=O)NCc2ccc(N3CCSCC3)cc2)C(=O)OC1(C)C ZINC000748551110 735654697 /nfs/dbraw/zinc/65/46/97/735654697.db2.gz MKIIXSCRHCIHMZ-UHFFFAOYSA-N 0 0 360.479 2.508 20 10 FFCDRN O=C(N[C@H]1CCCSC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000748966171 735685754 /nfs/dbraw/zinc/68/57/54/735685754.db2.gz MTYBZJJMUCMVHQ-JKSUJKDBSA-N 0 0 350.484 2.978 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C(F)(F)C(F)F)cc2F)C[C@@H](C)O1 ZINC000749354763 735716692 /nfs/dbraw/zinc/71/66/92/735716692.db2.gz XGTKDZVODKQPAV-NXEZZACHSA-N 0 0 366.330 2.956 20 10 FFCDRN CCc1cccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000751236946 735855987 /nfs/dbraw/zinc/85/59/87/735855987.db2.gz WOLDPUFQFLLTRH-UHFFFAOYSA-N 0 0 360.479 2.769 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2cccc3ccc(C)nc32)c1O ZINC000751304575 735862550 /nfs/dbraw/zinc/86/25/50/735862550.db2.gz CQXYXGXDMQTYRN-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN O=S(=O)(Nc1cc(F)c(O)cc1Cl)c1ccnn1CC1CCC1 ZINC000901962364 735879828 /nfs/dbraw/zinc/87/98/28/735879828.db2.gz FLCHSOFDAYVCJV-UHFFFAOYSA-N 0 0 359.810 2.982 20 10 FFCDRN CCCCNC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751931616 735937204 /nfs/dbraw/zinc/93/72/04/735937204.db2.gz RLDSIQUDWOPREW-LBPRGKRZSA-N 0 0 361.467 2.778 20 10 FFCDRN CC(C)[C@H](C)NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751932905 735937291 /nfs/dbraw/zinc/93/72/91/735937291.db2.gz ZFQTYYMMPOZZJP-LBPRGKRZSA-N 0 0 361.467 2.634 20 10 FFCDRN Cc1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000752401671 735983323 /nfs/dbraw/zinc/98/33/23/735983323.db2.gz LOAPDUGYZRUKCT-UHFFFAOYSA-N 0 0 358.467 2.647 20 10 FFCDRN Cc1cc(CC(=O)N[C@H](C)C(=O)N(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000752490042 735990113 /nfs/dbraw/zinc/99/01/13/735990113.db2.gz MAAGFXCVKASZHD-CYBMUJFWSA-N 0 0 361.873 2.883 20 10 FFCDRN COC(=O)c1cc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)c[nH]1 ZINC000753139349 736040748 /nfs/dbraw/zinc/04/07/48/736040748.db2.gz SRCDRHHUIUJZQB-ZROIWOOFSA-N 0 0 373.459 2.640 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@H](O)CCc1ccccc1 ZINC000753220892 736046698 /nfs/dbraw/zinc/04/66/98/736046698.db2.gz OJOKAGVJMKMGMP-OAHLLOKOSA-N 0 0 365.524 2.918 20 10 FFCDRN CC1([C@@H]2CCCN(C(=O)NCCCSc3nccs3)C2)OCCO1 ZINC000753224894 736047123 /nfs/dbraw/zinc/04/71/23/736047123.db2.gz VZTJUNLZISXQFV-CYBMUJFWSA-N 0 0 371.528 2.810 20 10 FFCDRN CC[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(F)cc1[O-] ZINC000903435544 736094434 /nfs/dbraw/zinc/09/44/34/736094434.db2.gz RWQSSDRDPDRQTJ-DGCLKSJQSA-N 0 0 366.824 3.000 20 10 FFCDRN COc1ccc(N2CCCN(CN3C(=O)SC(C)(C)C3=O)CC2)cc1 ZINC000753989575 736113207 /nfs/dbraw/zinc/11/32/07/736113207.db2.gz BHPUGAFGCIDDHU-UHFFFAOYSA-N 0 0 363.483 2.639 20 10 FFCDRN CCC[C@@H](C)CS(=O)(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000754039692 736118783 /nfs/dbraw/zinc/11/87/83/736118783.db2.gz CJPSQMMLWSNRCE-CQSZACIVSA-N 0 0 358.479 2.722 20 10 FFCDRN Cc1cncc(/C=C/C(=O)N2CCOc3ncc(Br)cc32)c1 ZINC000754812049 736202249 /nfs/dbraw/zinc/20/22/49/736202249.db2.gz VZFFKHZMCUVJES-NSCUHMNNSA-N 0 0 360.211 2.986 20 10 FFCDRN O=C1N=C(N2CCOCC2)SC1=Cc1c[nH]nc1-c1ccccc1F ZINC000755697968 736271816 /nfs/dbraw/zinc/27/18/16/736271816.db2.gz FEDQTCJQEVJOTR-NTEUORMPSA-N 0 0 358.398 2.518 20 10 FFCDRN C[C@H]([NH2+]CCCN1CCCC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756365179 736325356 /nfs/dbraw/zinc/32/53/56/736325356.db2.gz ZSPOVQQVDICERS-JTQLQIEISA-N 0 0 359.239 2.957 20 10 FFCDRN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])CC2 ZINC000756535614 736339794 /nfs/dbraw/zinc/33/97/94/736339794.db2.gz NLGQAOVITJJGEF-SCZZXKLOSA-N 0 0 369.238 2.859 20 10 FFCDRN COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000756555153 736342329 /nfs/dbraw/zinc/34/23/29/736342329.db2.gz SFRPOGLNIFCTPO-ZYHUDNBSSA-N 0 0 361.255 2.665 20 10 FFCDRN C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756562132 736343478 /nfs/dbraw/zinc/34/34/78/736343478.db2.gz GVYNFCRZIUBBMY-MNOVXSKESA-N 0 0 362.239 2.998 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H](C)NCc2n[nH]cc2Br)c1 ZINC000756583761 736345145 /nfs/dbraw/zinc/34/51/45/736345145.db2.gz BGQPUESOKKLYAF-MRVPVSSYSA-N 0 0 354.204 2.515 20 10 FFCDRN CCOC(=O)c1ccsc1NC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000756654806 736350161 /nfs/dbraw/zinc/35/01/61/736350161.db2.gz MXHOPYVESKFOTL-UHFFFAOYSA-N 0 0 362.407 2.728 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](CO)CC(F)(F)F)cc1F ZINC000757649911 736416026 /nfs/dbraw/zinc/41/60/26/736416026.db2.gz YCVNFXSVTUOKBH-GFCCVEGCSA-N 0 0 365.371 2.784 20 10 FFCDRN COc1ccc(N(C)CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1F ZINC000757853261 736430953 /nfs/dbraw/zinc/43/09/53/736430953.db2.gz ZIBBSSGEYBPGGM-SWLSCSKDSA-N 0 0 351.422 2.675 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)nc1F ZINC000906318396 736483999 /nfs/dbraw/zinc/48/39/99/736483999.db2.gz YBHOPUBTGLAIBG-UHFFFAOYSA-N 0 0 367.783 2.780 20 10 FFCDRN Cn1c(COC(=O)c2cccc(O)c2O)nnc1-c1ccc(Cl)cc1 ZINC000758572588 736502511 /nfs/dbraw/zinc/50/25/11/736502511.db2.gz LGIPSIWNWMOGOC-UHFFFAOYSA-N 0 0 359.769 2.904 20 10 FFCDRN C[C@H](C(=O)NCCCSc1nccs1)N1Cc2ccccc2C1=O ZINC000906672397 736532293 /nfs/dbraw/zinc/53/22/93/736532293.db2.gz XUNIHCPZHGKLFX-GFCCVEGCSA-N 0 0 361.492 2.786 20 10 FFCDRN O=C(NCCCSc1nccs1)NCCc1ccc2c(c1)OCO2 ZINC000759546261 736576300 /nfs/dbraw/zinc/57/63/00/736576300.db2.gz NDMTXSCDANTPGZ-UHFFFAOYSA-N 0 0 365.480 2.896 20 10 FFCDRN CCc1ccc(CNC(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)s1 ZINC000759591093 736579220 /nfs/dbraw/zinc/57/92/20/736579220.db2.gz ZJBOGYUDVPYPJT-YWEYNIOJSA-N 0 0 361.419 2.595 20 10 FFCDRN Cn1cc(C(=O)NCCCSc2nccs2)c2ccccc2c1=O ZINC000760333797 736630219 /nfs/dbraw/zinc/63/02/19/736630219.db2.gz VAXUNAMPABWDLM-UHFFFAOYSA-N 0 0 359.476 2.907 20 10 FFCDRN O=C1[C@@H]2CCCCCN2C(=O)N1Cc1ccc(N2CCSCC2)cc1 ZINC000761096802 736695196 /nfs/dbraw/zinc/69/51/96/736695196.db2.gz FPQAHFYMBCYXDP-KRWDZBQOSA-N 0 0 359.495 2.947 20 10 FFCDRN C[C@H]1CCN2C(=O)N(Cc3ccc(N4CCSCC4)cc3)C(=O)[C@H]2C1 ZINC000761098376 736695518 /nfs/dbraw/zinc/69/55/18/736695518.db2.gz LTMFPJYEHSWURC-WMLDXEAASA-N 0 0 359.495 2.803 20 10 FFCDRN Cc1ncsc1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761230122 736710039 /nfs/dbraw/zinc/71/00/39/736710039.db2.gz FQORFYKKXSTGGM-UHFFFAOYSA-N 0 0 351.815 2.775 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(-c2nc(Cc3cccc(F)c3)no2)c1 ZINC000761329240 736723606 /nfs/dbraw/zinc/72/36/06/736723606.db2.gz FFTRADWHFFHSTL-UHFFFAOYSA-N 0 0 363.370 2.544 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2c(c1)NC(=O)CS2 ZINC000761619002 736748659 /nfs/dbraw/zinc/74/86/59/736748659.db2.gz UKDPOZYOFNJJMH-UHFFFAOYSA-N 0 0 359.407 2.506 20 10 FFCDRN CN1CCc2c(cccc2S(=O)(=O)NCc2cccc(Cl)c2O)C1 ZINC000908329575 736758852 /nfs/dbraw/zinc/75/88/52/736758852.db2.gz RVQBOMKPOWMETG-UHFFFAOYSA-N 0 0 366.870 2.512 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1csc(-c2ccc(O)cc2)n1 ZINC000762267349 736809584 /nfs/dbraw/zinc/80/95/84/736809584.db2.gz FXGKSMBYPBMJGK-UHFFFAOYSA-N 0 0 356.403 2.899 20 10 FFCDRN C[C@@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000762790172 736867879 /nfs/dbraw/zinc/86/78/79/736867879.db2.gz XSJYKBAGCQXACA-YMTOWFKASA-N 0 0 363.683 2.525 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)c1O ZINC000763059287 736896863 /nfs/dbraw/zinc/89/68/63/736896863.db2.gz ANOBXFZPAJJMFW-KYOSRNDESA-N 0 0 354.497 2.580 20 10 FFCDRN COc1cc(CN2CCC[C@@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000763379305 736933375 /nfs/dbraw/zinc/93/33/75/736933375.db2.gz BVFHMXBMDCXQHV-OAHLLOKOSA-N 0 0 355.500 2.707 20 10 FFCDRN C[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[S@@]1=O ZINC000763487988 736941368 /nfs/dbraw/zinc/94/13/68/736941368.db2.gz BSXKHBDFOIWSCX-BZQUYTCOSA-N 0 0 365.499 2.928 20 10 FFCDRN C[C@H]1N(C(=O)NCc2ccc(N3CCSCC3)cc2)CCOC1(C)C ZINC000763589963 736950651 /nfs/dbraw/zinc/95/06/51/736950651.db2.gz QCNJAXBTKUFRKN-OAHLLOKOSA-N 0 0 363.527 2.949 20 10 FFCDRN CCC[C@@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)C ZINC000763943582 736980794 /nfs/dbraw/zinc/98/07/94/736980794.db2.gz DOGRPOMVELKNMR-GOSISDBHSA-N 0 0 366.527 2.610 20 10 FFCDRN CO[C@@H]1CCC[C@@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000764807863 737051920 /nfs/dbraw/zinc/05/19/20/737051920.db2.gz WNDXXURQMPWAKD-ZWNOBZJWSA-N 0 0 357.248 2.769 20 10 FFCDRN O=C(Cc1ccccc1CO)NCc1cccc(Br)c1O ZINC000765757006 737154845 /nfs/dbraw/zinc/15/48/45/737154845.db2.gz POOYYAZEAZXZAH-UHFFFAOYSA-N 0 0 350.212 2.506 20 10 FFCDRN CC[C@@H](NC(=O)NCCCSc1nccs1)[C@H](O)C(F)(F)F ZINC000766252688 737212546 /nfs/dbraw/zinc/21/25/46/737212546.db2.gz UKNWHXIQQNWMBF-BDAKNGLRSA-N 0 0 357.423 2.626 20 10 FFCDRN Cc1ccc(C(=O)NCc2cc(Br)ccc2O)c(O)c1O ZINC000804738634 740901877 /nfs/dbraw/zinc/90/18/77/740901877.db2.gz YBUBSXIWFLKHSH-UHFFFAOYSA-N 0 0 352.184 2.804 20 10 FFCDRN COc1cccc(OCC(=O)NCc2cc(Br)ccc2O)c1 ZINC000804739678 740901916 /nfs/dbraw/zinc/90/19/16/740901916.db2.gz OGHLBNMEBMLWJO-UHFFFAOYSA-N 0 0 366.211 2.859 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2cncnc2)cc1 ZINC000912111744 737266684 /nfs/dbraw/zinc/26/66/84/737266684.db2.gz YDGJCEDJFQSNQN-UHFFFAOYSA-N 0 0 352.360 2.676 20 10 FFCDRN Cc1cc(CCNC(=O)NCC(F)(F)CO)c(C)n1-c1ccccc1 ZINC000768183523 737404836 /nfs/dbraw/zinc/40/48/36/737404836.db2.gz XXWFNDFVILBEMZ-UHFFFAOYSA-N 0 0 351.397 2.563 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2csc(-c3ncccc3F)n2)c1 ZINC000768406097 737420899 /nfs/dbraw/zinc/42/08/99/737420899.db2.gz GTIAVYGFTIYTSY-UHFFFAOYSA-N 0 0 359.382 2.988 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)CCCC(C)(F)F)CC2)cc1 ZINC000913833168 737455527 /nfs/dbraw/zinc/45/55/27/737455527.db2.gz SPBVWFRTOMOHJP-UHFFFAOYSA-N 0 0 362.442 2.582 20 10 FFCDRN O=C([C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1)N1CCCC1 ZINC000769404680 737525282 /nfs/dbraw/zinc/52/52/82/737525282.db2.gz NWXHVPKRXSCPRE-CQSZACIVSA-N 0 0 367.287 2.989 20 10 FFCDRN COC(=O)[C@@H]1CC12CC[NH+](Cc1cccc(Br)c1[O-])CC2 ZINC000769428457 737529077 /nfs/dbraw/zinc/52/90/77/737529077.db2.gz RTWGUBAICBZOMJ-LBPRGKRZSA-N 0 0 354.244 2.930 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS1 ZINC000914241159 737537170 /nfs/dbraw/zinc/53/71/70/737537170.db2.gz DYPZWIVHDXXUBT-DZGCQCFKSA-N 0 0 367.490 2.746 20 10 FFCDRN Cc1cc(CC(=O)NCc2nncn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000914858296 737596678 /nfs/dbraw/zinc/59/66/78/737596678.db2.gz AQZKXFAVKSYAPO-UHFFFAOYSA-N 0 0 357.845 2.735 20 10 FFCDRN CN(C)c1ccc(CN2CCS(=O)(=O)C3(CCCCC3)C2)cc1F ZINC000770303514 737614461 /nfs/dbraw/zinc/61/44/61/737614461.db2.gz XCMRRNVKTFXUIT-UHFFFAOYSA-N 0 0 354.491 2.825 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)cc1F ZINC000915367240 737626977 /nfs/dbraw/zinc/62/69/77/737626977.db2.gz XQHKLQZFOJBUES-FZMZJTMJSA-N 0 0 363.355 2.658 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000915907599 737663819 /nfs/dbraw/zinc/66/38/19/737663819.db2.gz AFFRSFFMWPYYDT-AWEZNQCLSA-N 0 0 372.296 2.858 20 10 FFCDRN COc1ccc2c(c1)CCCN2C[C@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC000917077410 737739881 /nfs/dbraw/zinc/73/98/81/737739881.db2.gz NSUYTYHOXHZAJT-IBGZPJMESA-N 0 0 361.463 2.585 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Cn2cc(Br)cn2)cc1 ZINC000918111129 737793476 /nfs/dbraw/zinc/79/34/76/737793476.db2.gz AGGFWYRWINAPOH-UHFFFAOYSA-N 0 0 365.275 2.808 20 10 FFCDRN CC(C)Cn1cnc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773084678 737869784 /nfs/dbraw/zinc/86/97/84/737869784.db2.gz RNCXUDLYNDGVNR-CQSZACIVSA-N 0 0 350.488 2.645 20 10 FFCDRN COc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnc1Cl ZINC000773086616 737870170 /nfs/dbraw/zinc/87/01/70/737870170.db2.gz FDSIJRACYQYWJI-NSHDSACASA-N 0 0 369.874 2.849 20 10 FFCDRN Cc1cccc(Oc2ccccc2NC=C2C(=O)NC(=S)NC2=O)c1 ZINC000920978709 737937363 /nfs/dbraw/zinc/93/73/63/737937363.db2.gz FZQCABNVHGUCHB-UHFFFAOYSA-N 0 0 353.403 2.614 20 10 FFCDRN CCc1ccc([C@@H](C)NC=C2C(=O)NC(=S)N(CC(C)C)C2=O)cc1 ZINC000920980343 737937876 /nfs/dbraw/zinc/93/78/76/737937876.db2.gz JJYHGQNWTODQQZ-YDRQLGOLSA-N 0 0 359.495 2.683 20 10 FFCDRN COC(=O)C1(N(C)Cc2ccc([N+](=O)[O-])c(OC)c2O)CCCCC1 ZINC000774887320 738036649 /nfs/dbraw/zinc/03/66/49/738036649.db2.gz QKNAZLFMUBITCU-UHFFFAOYSA-N 0 0 352.387 2.617 20 10 FFCDRN CN1CCC2(CC[NH+](Cc3cccc(Br)c3[O-])CC2)C1=O ZINC000775204245 738072571 /nfs/dbraw/zinc/07/25/71/738072571.db2.gz OYMWDIKVAGMENL-UHFFFAOYSA-N 0 0 353.260 2.599 20 10 FFCDRN CC[C@@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775486466 738096413 /nfs/dbraw/zinc/09/64/13/738096413.db2.gz BLEIGSWDSKAJLV-OAHLLOKOSA-N 0 0 374.312 2.904 20 10 FFCDRN COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000775663582 738110433 /nfs/dbraw/zinc/11/04/33/738110433.db2.gz OGYWIASKKRUXPV-NWDGAFQWSA-N 0 0 358.841 2.548 20 10 FFCDRN C[C@H](CCO)C1(CNC(=O)NCc2ccc(N(C)C)c(F)c2)CCC1 ZINC000776041252 738154851 /nfs/dbraw/zinc/15/48/51/738154851.db2.gz JLGDGTWRGPYFOZ-CQSZACIVSA-N 0 0 351.466 2.880 20 10 FFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000776215657 738171821 /nfs/dbraw/zinc/17/18/21/738171821.db2.gz FBDFSDFNXBDMLS-LJQANCHMSA-N 0 0 364.848 2.911 20 10 FFCDRN CSC[C@H](C)C(=O)NCc1cc(NC(=O)[C@@H](C)CSC)ccc1O ZINC000923122554 738243333 /nfs/dbraw/zinc/24/33/33/738243333.db2.gz POBQJXRIZYWMIL-RYUDHWBXSA-N 0 0 370.540 2.945 20 10 FFCDRN CC(=O)OCC(C)(C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000777797433 738320762 /nfs/dbraw/zinc/32/07/62/738320762.db2.gz SNIGXNPOJHGWFK-UHFFFAOYSA-N 0 0 364.511 2.835 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[C@H]1CCCCO1 ZINC000777827354 738324113 /nfs/dbraw/zinc/32/41/13/738324113.db2.gz ZZUKIKNDVWGFOC-OAHLLOKOSA-N 0 0 369.845 2.897 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnn(CC2CC2)c1 ZINC000777861752 738326509 /nfs/dbraw/zinc/32/65/09/738326509.db2.gz LSKDXVPHJYYJEN-UHFFFAOYSA-N 0 0 362.499 2.570 20 10 FFCDRN Cc1[nH]nc(Br)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000929527499 738995758 /nfs/dbraw/zinc/99/57/58/738995758.db2.gz QYXSSTZWPSKDCC-UHFFFAOYSA-N 0 0 351.248 2.819 20 10 FFCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCCc1c[nH][nH]c1=O ZINC000929740182 739016536 /nfs/dbraw/zinc/01/65/36/739016536.db2.gz ITAUVDAKSROLLC-LLVKDONJSA-N 0 0 367.247 2.699 20 10 FFCDRN CN(Cc1ccccc1O)c1ncccc1S(=O)(=O)N1CCCCC1 ZINC000786792452 739077190 /nfs/dbraw/zinc/07/71/90/739077190.db2.gz BTZQDSIVHRATPR-UHFFFAOYSA-N 0 0 361.467 2.598 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](CO)O[C@@H](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000787474968 739140357 /nfs/dbraw/zinc/14/03/57/739140357.db2.gz KDBLBVZQHQEMLL-SUMWQHHRSA-N 0 0 362.857 2.969 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)c1[O-] ZINC000932023961 739375453 /nfs/dbraw/zinc/37/54/53/739375453.db2.gz FUBKPTQBJBWTRK-ACJLOTCBSA-N 0 0 366.845 2.959 20 10 FFCDRN COc1nc(Br)ccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000789877625 739393542 /nfs/dbraw/zinc/39/35/42/739393542.db2.gz KRUHFZXDBFKTOV-CLTKARDFSA-N 0 0 365.183 2.916 20 10 FFCDRN COc1cccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)n1 ZINC000790108562 739419386 /nfs/dbraw/zinc/41/93/86/739419386.db2.gz UIWSKYCQLFZXSH-UKTHLTGXSA-N 0 0 371.443 2.595 20 10 FFCDRN O=C(Cn1ccc2ccccc2c1=O)NCCCSc1nccs1 ZINC000790700654 739486221 /nfs/dbraw/zinc/48/62/21/739486221.db2.gz CMCJHORNOAHGFG-UHFFFAOYSA-N 0 0 359.476 2.757 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cc(=O)[nH]cc1Br ZINC000932687270 739494232 /nfs/dbraw/zinc/49/42/32/739494232.db2.gz QTOUTMOGMXSIME-UHFFFAOYSA-N 0 0 374.285 2.918 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c(F)c1 ZINC000790826198 739501228 /nfs/dbraw/zinc/50/12/28/739501228.db2.gz JRBLQFULWFWVGQ-UHFFFAOYSA-N 0 0 364.442 2.913 20 10 FFCDRN COc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cccc(O)c1O ZINC000790842539 739503309 /nfs/dbraw/zinc/50/33/09/739503309.db2.gz ILFQGYNFYSRPJO-UHFFFAOYSA-N 0 0 364.785 2.518 20 10 FFCDRN O=C(N[C@H](CCO)c1ccccc1Br)c1cccc(O)c1O ZINC000790926341 739514169 /nfs/dbraw/zinc/51/41/69/739514169.db2.gz MNRQKTNVOIQUGX-CYBMUJFWSA-N 0 0 366.211 2.714 20 10 FFCDRN C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)O2 ZINC000790931294 739515595 /nfs/dbraw/zinc/51/55/95/739515595.db2.gz GGYZSOIRTRTDAX-GDLVEWKHSA-N 0 0 356.806 2.722 20 10 FFCDRN O=C(c1cccc(O)c1O)N(CCO)Cc1ccc(Br)s1 ZINC000792014332 739625690 /nfs/dbraw/zinc/62/56/90/739625690.db2.gz ZNDCFXCDFINLCB-UHFFFAOYSA-N 0 0 372.240 2.557 20 10 FFCDRN COC(=O)C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000792828433 739710642 /nfs/dbraw/zinc/71/06/42/739710642.db2.gz VFXRGIQXKUWMIO-CQSZACIVSA-N 0 0 360.376 2.535 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)c(O)c1 ZINC000793026557 739732243 /nfs/dbraw/zinc/73/22/43/739732243.db2.gz GDWFJTGRWPMDLV-BPLDGKMQSA-N 0 0 354.497 2.580 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccnn1C1CCOCC1 ZINC000934622053 739815156 /nfs/dbraw/zinc/81/51/56/739815156.db2.gz PYZGUZIRRLTHNY-UHFFFAOYSA-N 0 0 350.806 2.915 20 10 FFCDRN COc1ccc(CNC(=O)Cc2csc(-c3ccccn3)n2)c(O)c1 ZINC000794387112 739885825 /nfs/dbraw/zinc/88/58/25/739885825.db2.gz FFDPRELNIGCCML-UHFFFAOYSA-N 0 0 355.419 2.778 20 10 FFCDRN COc1ccc(CNC(=O)c2ccccc2S(=O)(=O)C(C)C)c(O)c1 ZINC000794389981 739886262 /nfs/dbraw/zinc/88/62/62/739886262.db2.gz VBJCWHMZIHOXKF-UHFFFAOYSA-N 0 0 363.435 2.513 20 10 FFCDRN Oc1ccc(Br)cc1CNC(=S)NC[C@H]1CCCCO1 ZINC000795154299 739976001 /nfs/dbraw/zinc/97/60/01/739976001.db2.gz NTHJIIUMHFMRQC-GFCCVEGCSA-N 0 0 359.289 2.688 20 10 FFCDRN COc1ccc(CNS(=O)(=O)Cc2ccc(Cl)c(F)c2)c(O)c1 ZINC000795357946 740009748 /nfs/dbraw/zinc/00/97/48/740009748.db2.gz UAUZKMIKEBLTMA-UHFFFAOYSA-N 0 0 359.806 2.813 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2cc(C)c(F)cc2Cl)c(O)c1 ZINC000795357964 740009764 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ZINC000797942335 740290691 /nfs/dbraw/zinc/29/06/91/740290691.db2.gz QOCULFBHTHIVTG-VWLOTQADSA-N 0 0 357.475 2.867 20 10 FFCDRN CCOc1cccc(CC(=O)NCc2cccc(Br)c2O)n1 ZINC000798002416 740298355 /nfs/dbraw/zinc/29/83/55/740298355.db2.gz HBCFCOOTJVONFL-UHFFFAOYSA-N 0 0 365.227 2.807 20 10 FFCDRN CO[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000799406158 740416887 /nfs/dbraw/zinc/41/68/87/740416887.db2.gz OYHBDHOSKBPYJL-STQMWFEESA-N 0 0 357.248 2.912 20 10 FFCDRN C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-])C(=O)NCCF ZINC000800499328 740528700 /nfs/dbraw/zinc/52/87/00/740528700.db2.gz WRUUZVAGFBJHQZ-HTQZYQBOSA-N 0 0 367.646 2.933 20 10 FFCDRN O=C(NCCCOC(F)F)NCc1cccc(Br)c1O ZINC000801072543 740583324 /nfs/dbraw/zinc/58/33/24/740583324.db2.gz SXTHLNSJADURKI-UHFFFAOYSA-N 0 0 353.163 2.583 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C)cc(C)n1 ZINC000801182904 740591288 /nfs/dbraw/zinc/59/12/88/740591288.db2.gz URMZOIDSRJFYDD-UHFFFAOYSA-N 0 0 362.813 2.873 20 10 FFCDRN COCCO[C@H]1CCC[N@H+](Cc2cc(Br)cc(OC)c2O)C1 ZINC000802651788 740715467 /nfs/dbraw/zinc/71/54/67/740715467.db2.gz BOLJCHCTJITXHF-AWEZNQCLSA-N 0 0 374.275 2.791 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cnn(CC2CC2)c1 ZINC000804249202 740856728 /nfs/dbraw/zinc/85/67/28/740856728.db2.gz YCLDICQQSITQFW-UHFFFAOYSA-N 0 0 360.801 2.621 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cc(C(F)(F)F)n[nH]1 ZINC000804738245 740901465 /nfs/dbraw/zinc/90/14/65/740901465.db2.gz IWROYFWTIQKMCK-UHFFFAOYSA-N 0 0 364.121 2.827 20 10 FFCDRN O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cc(Br)ccc1O ZINC000804738092 740901513 /nfs/dbraw/zinc/90/15/13/740901513.db2.gz BOIWGUBTTFJNPH-UHFFFAOYSA-N 0 0 365.183 2.922 20 10 FFCDRN CCOC(=O)N[C@@H](C(=O)NCc1cc(Br)ccc1O)C(C)C ZINC000804737743 740901559 /nfs/dbraw/zinc/90/15/59/740901559.db2.gz PKNPEPQLAFNAPE-CYBMUJFWSA-N 0 0 373.247 2.542 20 10 FFCDRN CCCCN(CC)C(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000804852412 740910605 /nfs/dbraw/zinc/91/06/05/740910605.db2.gz HRCBXDJVWMYMSC-UHFFFAOYSA-N 0 0 351.466 2.937 20 10 FFCDRN Cc1csc(CCNC(=O)NCc2cc(Br)ccc2O)n1 ZINC000804904424 740914759 /nfs/dbraw/zinc/91/47/59/740914759.db2.gz NBCDJIXQWPQDMU-UHFFFAOYSA-N 0 0 370.272 2.962 20 10 FFCDRN CC[C@H](NC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCCO1 ZINC000805232642 740951356 /nfs/dbraw/zinc/95/13/56/740951356.db2.gz ZUQGMLZLWGDCJS-JSGCOSHPSA-N 0 0 357.248 2.912 20 10 FFCDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806281269 741050153 /nfs/dbraw/zinc/05/01/53/741050153.db2.gz SCJQVFFOPFHVOB-CHWSQXEVSA-N 0 0 355.529 2.827 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC2(C1)CCCOC2 ZINC000806439902 741060070 /nfs/dbraw/zinc/06/00/70/741060070.db2.gz HTDDLFJIWVVBCE-UHFFFAOYSA-N 0 0 361.511 2.562 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2nc(C3CC3)cs2)c1 ZINC000806887081 741093117 /nfs/dbraw/zinc/09/31/17/741093117.db2.gz XHYNDCQEZWDSJI-SECBINFHSA-N 0 0 361.423 2.551 20 10 FFCDRN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)NCCCSc1nccs1 ZINC000806958346 741098486 /nfs/dbraw/zinc/09/84/86/741098486.db2.gz 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741158362 /nfs/dbraw/zinc/15/83/62/741158362.db2.gz ORWWCXROACANNB-CQSZACIVSA-N 0 0 364.511 2.921 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(Br)n1 ZINC000808093902 741185693 /nfs/dbraw/zinc/18/56/93/741185693.db2.gz YKUAWATZHOPHOO-UHFFFAOYSA-N 0 0 356.216 2.965 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccc(-c2ccccc2Br)n1C ZINC000808511612 741231302 /nfs/dbraw/zinc/23/13/02/741231302.db2.gz HLPVDPQAYKYZGC-UHFFFAOYSA-N 0 0 364.195 2.770 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000809698141 741332957 /nfs/dbraw/zinc/33/29/57/741332957.db2.gz WPYAHXFDDPMMSX-CABCVRRESA-N 0 0 356.260 2.843 20 10 FFCDRN CCS(=O)(=O)N1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C)C1 ZINC000809725553 741337506 /nfs/dbraw/zinc/33/75/06/741337506.db2.gz WBAITWKYIWUCOL-QGZVFWFLSA-N 0 0 365.543 2.533 20 10 FFCDRN COC(C)(C)CS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000809815405 741346882 /nfs/dbraw/zinc/34/68/82/741346882.db2.gz GWSVYZBUZYISIC-UHFFFAOYSA-N 0 0 354.516 2.767 20 10 FFCDRN Cc1ccc(-c2n[nH]cc2C=C2SC(N3CCOCC3)=NC2=O)cc1 ZINC000810208203 741398066 /nfs/dbraw/zinc/39/80/66/741398066.db2.gz SXOQOFUDIOTYGY-XNTDXEJSSA-N 0 0 354.435 2.688 20 10 FFCDRN CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000810262035 741402871 /nfs/dbraw/zinc/40/28/71/741402871.db2.gz IQXDWYUSBCLRCT-NSHDSACASA-N 0 0 355.287 2.631 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCOCC(F)(F)C2)cc1F ZINC000812036308 741586348 /nfs/dbraw/zinc/58/63/48/741586348.db2.gz CAXNOIRCOOBIRJ-UHFFFAOYSA-N 0 0 359.392 2.849 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cncn1C ZINC000812488204 741624138 /nfs/dbraw/zinc/62/41/38/741624138.db2.gz UFGYBNNOCBBUEN-UHFFFAOYSA-N 0 0 367.247 2.620 20 10 FFCDRN O=C1CN(Cc2cccc(NCc3cc(Cl)cc(F)c3O)c2)CCN1 ZINC000812795716 741652874 /nfs/dbraw/zinc/65/28/74/741652874.db2.gz AEQOPMMBDRRNKY-UHFFFAOYSA-N 0 0 363.820 2.729 20 10 FFCDRN CN(C)c1ccc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)cc1 ZINC000814753640 741861851 /nfs/dbraw/zinc/86/18/51/741861851.db2.gz SSFLMUWJRGPJMW-UHFFFAOYSA-N 0 0 352.188 2.633 20 10 FFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3sccc3F)cc2)C1 ZINC000815074433 741895688 /nfs/dbraw/zinc/89/56/88/741895688.db2.gz SJBFBCLAKGPFFN-CYBMUJFWSA-N 0 0 361.442 2.519 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1[O-] ZINC000815289917 741921649 /nfs/dbraw/zinc/92/16/49/741921649.db2.gz RHKSWFTWCRYVRK-QZTJIDSGSA-N 0 0 353.846 2.658 20 10 FFCDRN CCN(CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-])S(C)(=O)=O ZINC000815563006 741945659 /nfs/dbraw/zinc/94/56/59/741945659.db2.gz RKTJTPJYZVHEJZ-LLVKDONJSA-N 0 0 368.421 2.733 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)/C=C\CN(C)CC(F)(F)F ZINC000815729197 741955837 /nfs/dbraw/zinc/95/58/37/741955837.db2.gz KYELINPNDMNQAK-PLNGDYQASA-N 0 0 357.376 2.528 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCCC[C@@H]1OC ZINC000815952647 741977321 /nfs/dbraw/zinc/97/73/21/741977321.db2.gz QZJIPIWMANBFGI-HOCLYGCPSA-N 0 0 369.845 2.752 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816539097 742039847 /nfs/dbraw/zinc/03/98/47/742039847.db2.gz RLNVGYNLJKEQAY-JTQLQIEISA-N 0 0 372.849 2.944 20 10 FFCDRN NC(=O)CN1CCc2ccc(NCc3cc(Cl)c(F)cc3O)cc2C1 ZINC000816594235 742045308 /nfs/dbraw/zinc/04/53/08/742045308.db2.gz UTZVDBVWIUGNIA-UHFFFAOYSA-N 0 0 363.820 2.640 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000816667696 742052228 /nfs/dbraw/zinc/05/22/28/742052228.db2.gz UPBMFFYTSAVUQQ-HZPDHXFCSA-N 0 0 356.260 2.564 20 10 FFCDRN CC[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000817154224 742097695 /nfs/dbraw/zinc/09/76/95/742097695.db2.gz IUCOISSXXYYFQR-WMZOPIPTSA-N 0 0 363.527 2.997 20 10 FFCDRN CCc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)nn1C ZINC000817345142 742126090 /nfs/dbraw/zinc/12/60/90/742126090.db2.gz AIPOAIBYHSHLJT-UHFFFAOYSA-N 0 0 359.499 2.857 20 10 FFCDRN C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000817769967 742210266 /nfs/dbraw/zinc/21/02/66/742210266.db2.gz XIQQLSOXPYZCFX-GHMZBOCLSA-N 0 0 353.390 2.677 20 10 FFCDRN C[NH2+]CCN[C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817952085 742223671 /nfs/dbraw/zinc/22/36/71/742223671.db2.gz MXAFRDZVTHNREU-SSDOTTSWSA-N 0 0 352.070 2.787 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=S)NCCCSC)C2)cc1 ZINC000819020469 742325699 /nfs/dbraw/zinc/32/56/99/742325699.db2.gz IZEBTDNILKATPP-AWEZNQCLSA-N 0 0 353.557 2.739 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)CSCC(F)(F)F)C2)cc1 ZINC000819586441 742411028 /nfs/dbraw/zinc/41/10/28/742411028.db2.gz PYMOPFRAKHBTPW-LBPRGKRZSA-N 0 0 362.417 2.933 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)CCn3cc(Cl)cn3)C2)cc1 ZINC000819581975 742411034 /nfs/dbraw/zinc/41/10/34/742411034.db2.gz BMYPFPFTGKXXSJ-CQSZACIVSA-N 0 0 362.861 2.578 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3nnc(C(F)F)s3)C2)cc1 ZINC000820452842 742507435 /nfs/dbraw/zinc/50/74/35/742507435.db2.gz ZPMLXXFRZBHGJI-VIFPVBQESA-N 0 0 369.397 2.885 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000821985997 742684218 /nfs/dbraw/zinc/68/42/18/742684218.db2.gz KCAHSFGAAXADCR-HOCLYGCPSA-N 0 0 368.499 2.670 20 10 FFCDRN Nc1nc(Cl)ccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822553351 742751057 /nfs/dbraw/zinc/75/10/57/742751057.db2.gz IHCFMOCACNCCOK-UHFFFAOYSA-N 0 0 362.886 2.800 20 10 FFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(F)s3)cc2)C1 ZINC000822938286 742805942 /nfs/dbraw/zinc/80/59/42/742805942.db2.gz QZJNKJNYXPUHCV-ZDUSSCGKSA-N 0 0 361.442 2.519 20 10 FFCDRN COC(=O)[C@H]1COCCN1Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000823448119 742913851 /nfs/dbraw/zinc/91/38/51/742913851.db2.gz SXAJLEMLBDQEEY-GOSISDBHSA-N 0 0 360.479 2.758 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCCSC(C)C)C2)cc1 ZINC000823624401 742949500 /nfs/dbraw/zinc/94/95/00/742949500.db2.gz WZWUJQOVMGNCQT-HNNXBMFYSA-N 0 0 351.516 2.962 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)C1(n2cc(Br)cn2)CC1 ZINC000823986097 743007158 /nfs/dbraw/zinc/00/71/58/743007158.db2.gz GMCROXSTTZHGFB-UHFFFAOYSA-N 0 0 370.634 2.810 20 10 FFCDRN O=[N+]([O-])c1cc(CN2CC[C@](O)(C(F)F)C2)ccc1N1CCCCC1 ZINC000824726593 743136440 /nfs/dbraw/zinc/13/64/40/743136440.db2.gz ORWRYOQIMANXAE-QGZVFWFLSA-N 0 0 355.385 2.787 20 10 FFCDRN CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H](C)CS(C)(=O)=O ZINC000824809646 743153476 /nfs/dbraw/zinc/15/34/76/743153476.db2.gz XFXUKVIDBGBOQD-ZDUSSCGKSA-N 0 0 357.516 2.953 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000825124497 743214507 /nfs/dbraw/zinc/21/45/07/743214507.db2.gz RDYJJYMUZHYENU-SKDRFNHKSA-N 0 0 354.166 2.900 20 10 FFCDRN Cc1cc(Br)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1O ZINC000825200329 743227263 /nfs/dbraw/zinc/22/72/63/743227263.db2.gz CWSDNZUWVMMDKQ-UONOGXRCSA-N 0 0 374.300 2.615 20 10 FFCDRN CC(C)(C)NC(=O)N1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000825543078 743291362 /nfs/dbraw/zinc/29/13/62/743291362.db2.gz MQXJZKYBUDZOKP-UHFFFAOYSA-N 0 0 370.291 2.780 20 10 FFCDRN CC(C)O[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000825727324 743319712 /nfs/dbraw/zinc/31/97/12/743319712.db2.gz CNEPOPDUUXJZLZ-GOSISDBHSA-N 0 0 363.527 2.949 20 10 FFCDRN CC1(C)CN(Cc2ccc(Br)cc2O)C[C@]2(CCOC2)O1 ZINC000825754071 743322287 /nfs/dbraw/zinc/32/22/87/743322287.db2.gz ZFQVPEFBGWWYTR-INIZCTEOSA-N 0 0 356.260 2.925 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCOCC1CCC1 ZINC000826945694 743476157 /nfs/dbraw/zinc/47/61/57/743476157.db2.gz GJWFZKSCLWKRQR-UHFFFAOYSA-N 0 0 354.516 2.721 20 10 FFCDRN COC[C@@]1(C(=O)OC)CCCN1Cc1cc(C)cc(Br)c1O ZINC000827487955 743587646 /nfs/dbraw/zinc/58/76/46/743587646.db2.gz AOAMNDUETHIHKZ-MRXNPFEDSA-N 0 0 372.259 2.617 20 10 FFCDRN Cn1cc(-c2cc3c(nn2)CCN(Cc2c(O)cccc2Cl)C3)cn1 ZINC000828104716 745027997 /nfs/dbraw/zinc/02/79/97/745027997.db2.gz WBVHUEFOLFLBKI-UHFFFAOYSA-N 0 0 355.829 2.794 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)Nc2cc(C)nn2C(C)(C)C)s1 ZINC000829684702 745245009 /nfs/dbraw/zinc/24/50/09/745245009.db2.gz YTBCWVCZHROCMY-UHFFFAOYSA-N 0 0 368.484 2.920 20 10 FFCDRN O=S(=O)(CCC1CCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000830167608 745316834 /nfs/dbraw/zinc/31/68/34/745316834.db2.gz SCANPRNWVADZMB-UHFFFAOYSA-N 0 0 352.500 2.523 20 10 FFCDRN O=S(=O)(CC1CC(F)(F)C1)NCc1cc(Br)ccc1O ZINC000831522051 745542017 /nfs/dbraw/zinc/54/20/17/745542017.db2.gz XPTWLQATGNRVKR-UHFFFAOYSA-N 0 0 370.215 2.619 20 10 FFCDRN Cc1cc(CC(=O)NC(C)(C)CS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000832181239 745652412 /nfs/dbraw/zinc/65/24/12/745652412.db2.gz JAPJTJLRHRKQBE-UHFFFAOYSA-N 0 0 362.495 2.576 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000832298278 745674300 /nfs/dbraw/zinc/67/43/00/745674300.db2.gz KQRRTEGAGVPFJS-XPTSAGLGSA-N 0 0 351.752 2.993 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000834828770 745909772 /nfs/dbraw/zinc/90/97/72/745909772.db2.gz ZETRNCDIBXRXQQ-GHMZBOCLSA-N 0 0 353.390 2.892 20 10 FFCDRN COC[C@]1(C)CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000836241849 746172754 /nfs/dbraw/zinc/17/27/54/746172754.db2.gz IGGBZKVAUBGWOH-LJQANCHMSA-N 0 0 363.527 2.808 20 10 FFCDRN COCCCn1cc(C)c(NC(=O)NCCCSc2nccs2)n1 ZINC000836713954 746290579 /nfs/dbraw/zinc/29/05/79/746290579.db2.gz UWIRCCPEGHGSFV-UHFFFAOYSA-N 0 0 369.516 2.988 20 10 FFCDRN CC(C)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H]1C(C)C ZINC000836890966 746326145 /nfs/dbraw/zinc/32/61/45/746326145.db2.gz UNTYFJZGZWMDCE-ZBFHGGJFSA-N 0 0 354.472 2.516 20 10 FFCDRN Cc1cc(C(=O)N2CC[S@@](=O)C(C)(C)CC2)c(C)n1-c1ccccn1 ZINC000836962570 746339218 /nfs/dbraw/zinc/33/92/18/746339218.db2.gz RMQSYMJDQBVXNN-RUZDIDTESA-N 0 0 359.495 2.862 20 10 FFCDRN CC(C)c1ncsc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000836979474 746342341 /nfs/dbraw/zinc/34/23/41/746342341.db2.gz GGPAGKJOJIPJQG-UHFFFAOYSA-N 0 0 355.441 2.596 20 10 FFCDRN CC(C)[C@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC12CCCC2 ZINC000837189277 746388940 /nfs/dbraw/zinc/38/89/40/746388940.db2.gz DYTFWSJZZZDOET-MRXNPFEDSA-N 0 0 366.483 2.805 20 10 FFCDRN CCOCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837343571 746426983 /nfs/dbraw/zinc/42/69/83/746426983.db2.gz BPOGUSDIKTVLTI-UHFFFAOYSA-N 0 0 350.802 2.905 20 10 FFCDRN CC1(C)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[S@]1=O ZINC000837626015 746489012 /nfs/dbraw/zinc/48/90/12/746489012.db2.gz ZDLWJMKRFFFCBV-RUZDIDTESA-N 0 0 363.527 2.729 20 10 FFCDRN CC[C@@H]1[C@H](CO)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837652450 746493210 /nfs/dbraw/zinc/49/32/10/746493210.db2.gz YIDVBIIDKPPVLG-FUHWJXTLSA-N 0 0 363.527 2.542 20 10 FFCDRN CC[C@@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837652451 746493251 /nfs/dbraw/zinc/49/32/51/746493251.db2.gz YIDVBIIDKPPVLG-SJLPKXTDSA-N 0 0 363.527 2.542 20 10 FFCDRN CC[C@H](NC(=O)NCc1ccc(N(CC)CC)c(F)c1)[C@@H](O)C(F)F ZINC000838391186 746629898 /nfs/dbraw/zinc/62/98/98/746629898.db2.gz JGWQUWDRSKQUSC-DZGCQCFKSA-N 0 0 361.408 2.876 20 10 FFCDRN CC[C@H](CC(F)F)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000838404638 746631785 /nfs/dbraw/zinc/63/17/85/746631785.db2.gz NCEQHMKMHYFQED-CQSZACIVSA-N 0 0 356.413 2.936 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000838515576 746656458 /nfs/dbraw/zinc/65/64/58/746656458.db2.gz XNENWUMVESWTSF-VHSXEESVSA-N 0 0 369.434 2.580 20 10 FFCDRN CC[C@H](CSC)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838534106 746659855 /nfs/dbraw/zinc/65/98/55/746659855.db2.gz CAVKNJDBOJOGJL-CYBMUJFWSA-N 0 0 373.469 2.742 20 10 FFCDRN C[C@@H](NC(=O)Cc1cnccc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000839578918 746861131 /nfs/dbraw/zinc/86/11/31/746861131.db2.gz QCTBTHBELGTZKU-CQSZACIVSA-N 0 0 359.857 2.992 20 10 FFCDRN CC(=O)Nc1nc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cs1 ZINC000839917038 746960674 /nfs/dbraw/zinc/96/06/74/746960674.db2.gz YDHYMAPJYWMTRZ-LBPRGKRZSA-N 0 0 360.483 2.837 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c(O)c(C(C)(C)C)c1 ZINC000840146550 747019217 /nfs/dbraw/zinc/01/92/17/747019217.db2.gz QLWVTLQTPAHVSR-IAGOWNOFSA-N 0 0 367.511 2.850 20 10 FFCDRN COc1ccc2ccc(O)c(CN3CCS(=O)(=O)[C@H]4CCC[C@@H]43)c2c1 ZINC000840147794 747019693 /nfs/dbraw/zinc/01/96/93/747019693.db2.gz YYPGLEMBNWGSCL-HKUYNNGSSA-N 0 0 361.463 2.706 20 10 FFCDRN CCOC(=O)C[C@@H](C)SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000840195670 747035293 /nfs/dbraw/zinc/03/52/93/747035293.db2.gz DDESPIDNHDRHEA-CQSZACIVSA-N 0 0 352.500 2.786 20 10 FFCDRN CC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](O)C(C)C ZINC000840256985 747049745 /nfs/dbraw/zinc/04/97/45/747049745.db2.gz GEQFPQAOYNOBAZ-ROUUACIJSA-N 0 0 365.543 2.835 20 10 FFCDRN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CS1 ZINC000840263284 747051803 /nfs/dbraw/zinc/05/18/03/747051803.db2.gz ODAUQRIFXOGUHL-WMLDXEAASA-N 0 0 363.527 2.589 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](CO)CC(F)(F)F ZINC000840481483 747104001 /nfs/dbraw/zinc/10/40/01/747104001.db2.gz JGQZNPLELLPVOC-OCCSQVGLSA-N 0 0 361.408 2.605 20 10 FFCDRN CCS(=O)(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000840889164 747213562 /nfs/dbraw/zinc/21/35/62/747213562.db2.gz PITMIJNUDXOCQW-SECBINFHSA-N 0 0 368.268 2.769 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1cccc2c1CCN2S(C)(=O)=O ZINC000840938901 747235591 /nfs/dbraw/zinc/23/55/91/747235591.db2.gz HXYJTNDDMDNHTI-UHFFFAOYSA-N 0 0 359.495 2.995 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CC[C@@H](CSc3ccccc3)C2)cc1 ZINC000841053676 747261834 /nfs/dbraw/zinc/26/18/34/747261834.db2.gz MBMBJAZWFOACFS-CQSZACIVSA-N 0 0 355.463 2.848 20 10 FFCDRN C[C@H]([C@@H](C)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)S(C)(=O)=O ZINC000841391095 747334505 /nfs/dbraw/zinc/33/45/05/747334505.db2.gz LMPNYZZMFRBYCH-HZPDHXFCSA-N 0 0 366.527 2.608 20 10 FFCDRN O=S(=O)(CCOCC1CCCC1)NCc1ccc(N2CCCC2)cc1 ZINC000841476811 747361524 /nfs/dbraw/zinc/36/15/24/747361524.db2.gz HHQPXTJIIIHKPJ-UHFFFAOYSA-N 0 0 366.527 2.913 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cn3c(n2)CCC[C@H]3C)c1 ZINC000841492111 747368059 /nfs/dbraw/zinc/36/80/59/747368059.db2.gz ABWKWORUGGQTMA-NEPJUHHUSA-N 0 0 365.455 2.534 20 10 FFCDRN Cc1cccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1F ZINC000841495894 747369302 /nfs/dbraw/zinc/36/93/02/747369302.db2.gz KVICVEAGXCKCQX-KAMYIIQDSA-N 0 0 366.483 2.668 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C\c2cc(OC)ccc2F)SC1=S ZINC000841496909 747370006 /nfs/dbraw/zinc/37/00/06/747370006.db2.gz UOXUJMKPWRQELD-UKTHLTGXSA-N 0 0 369.439 2.989 20 10 FFCDRN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841569931 747406346 /nfs/dbraw/zinc/40/63/46/747406346.db2.gz OTRVYZXBMKDIOQ-LBPRGKRZSA-N 0 0 351.472 2.575 20 10 FFCDRN C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841748777 747448344 /nfs/dbraw/zinc/44/83/44/747448344.db2.gz YMPDMMMQYVRQGX-CZUORRHYSA-N 0 0 353.894 2.639 20 10 FFCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000842014701 747501913 /nfs/dbraw/zinc/50/19/13/747501913.db2.gz IRNDYCBVACVTOT-OPQQBVKSSA-N 0 0 358.269 2.886 20 10 FFCDRN Cc1ccc(CN(C(=O)C(=O)NCCc2ccc(N)cc2)C(C)C)s1 ZINC000842237892 747553606 /nfs/dbraw/zinc/55/36/06/747553606.db2.gz YEBYQSJXGDOTFI-UHFFFAOYSA-N 0 0 359.495 2.735 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)NC2(CCSCC2)C1=O ZINC000842263951 747560285 /nfs/dbraw/zinc/56/02/85/747560285.db2.gz BLYOAHOZQIZOMZ-AWEZNQCLSA-N 0 0 361.511 2.810 20 10 FFCDRN Nc1ccc(CCNS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)cc1 ZINC000842823724 747698707 /nfs/dbraw/zinc/69/87/07/747698707.db2.gz ZPYNGAOSYNBTKD-UHFFFAOYSA-N 0 0 374.384 2.731 20 10 FFCDRN C[C@H](CC(=O)N(C)Cc1ccccc1O)n1cc(Br)cn1 ZINC000843820851 747903479 /nfs/dbraw/zinc/90/34/79/747903479.db2.gz YKRKMAGXVBLRFW-LLVKDONJSA-N 0 0 352.232 2.961 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCOC2)c(C)n1-c1ccc(Br)cn1 ZINC000843836916 747908214 /nfs/dbraw/zinc/90/82/14/747908214.db2.gz HGODAGZQQNGCFW-ZDUSSCGKSA-N 0 0 364.243 2.770 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@H]2C2CCC2)c1 ZINC000844124760 747973931 /nfs/dbraw/zinc/97/39/31/747973931.db2.gz WBSCZVVRESYRJO-HNNXBMFYSA-N 0 0 352.456 2.559 20 10 FFCDRN C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@@H]1C(=O)OC(C)(C)C ZINC000844146892 747978359 /nfs/dbraw/zinc/97/83/59/747978359.db2.gz LGEVHEITLCWYBC-MNOVXSKESA-N 0 0 353.390 2.677 20 10 FFCDRN CC[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)CO1 ZINC000844888904 748126094 /nfs/dbraw/zinc/12/60/94/748126094.db2.gz JHOWJEOFZJKXRG-YJBOKZPZSA-N 0 0 363.527 2.949 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000844888852 748126129 /nfs/dbraw/zinc/12/61/29/748126129.db2.gz IHSCFALGVSCDAK-GASCZTMLSA-N 0 0 353.438 2.646 20 10 FFCDRN CCC[C@@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000844890103 748126139 /nfs/dbraw/zinc/12/61/39/748126139.db2.gz UBFKDDJSDBQOON-CRAIPNDOSA-N 0 0 365.543 2.836 20 10 FFCDRN CCN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCOC1 ZINC000844890149 748126942 /nfs/dbraw/zinc/12/69/42/748126942.db2.gz UNADZAQTSTWCEV-SFHVURJKSA-N 0 0 363.527 2.950 20 10 FFCDRN O=C(COC(=O)[C@@H]1CSC[C@H]1c1ccccc1)c1ccc(O)c(O)c1 ZINC000845412220 748252181 /nfs/dbraw/zinc/25/21/81/748252181.db2.gz VDGDVCHJTSVBPK-LSDHHAIUSA-N 0 0 358.415 2.971 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ncccc3SC)CC2)cc1F ZINC000845747546 748319875 /nfs/dbraw/zinc/31/98/75/748319875.db2.gz FCEXNDAJFQJIHO-UHFFFAOYSA-N 0 0 361.442 2.914 20 10 FFCDRN CCO[N-]C(=O)C[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000846078599 748397300 /nfs/dbraw/zinc/39/73/00/748397300.db2.gz AMNUIDRHMQISRC-UHFFFAOYSA-N 0 0 370.291 2.597 20 10 FFCDRN Cc1cc(Br)cc(CN2CCOC[C@H]2c2ccnn2C)c1O ZINC000846114198 748409711 /nfs/dbraw/zinc/40/97/11/748409711.db2.gz BPDWCKQBJWDKDP-HNNXBMFYSA-N 0 0 366.259 2.770 20 10 FFCDRN CC(C)(C)OC(=O)C1(C(=O)NCc2cc(Br)ccc2O)CC1 ZINC000846138338 748414598 /nfs/dbraw/zinc/41/45/98/748414598.db2.gz BFBWCMWPHMODIK-UHFFFAOYSA-N 0 0 370.243 2.893 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000846206612 748430536 /nfs/dbraw/zinc/43/05/36/748430536.db2.gz QSZYWIXINVNLLV-NXEZZACHSA-N 0 0 371.250 2.955 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000846473196 748487689 /nfs/dbraw/zinc/48/76/89/748487689.db2.gz QYVGQUMFGOXRMA-AWEZNQCLSA-N 0 0 362.813 2.950 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1ccccc1CN1CCOCC1 ZINC000846477619 748488963 /nfs/dbraw/zinc/48/89/63/748488963.db2.gz VFTOXJCOAZFPJC-UHFFFAOYSA-N 0 0 360.841 2.808 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C[C@@H](c2nccn2C)C(F)(F)F)cc1 ZINC000847296359 748671714 /nfs/dbraw/zinc/67/17/14/748671714.db2.gz FTLXOZMLHLTGGO-AWEZNQCLSA-N 0 0 354.376 2.839 20 10 FFCDRN COc1cc(Br)cc([C@@H](C)NCc2nnc3n2CCC3)c1O ZINC000848517547 748947625 /nfs/dbraw/zinc/94/76/25/748947625.db2.gz FMQNAAQQNINVCS-SECBINFHSA-N 0 0 367.247 2.552 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)c(F)cc1[O-] ZINC000848564226 748961757 /nfs/dbraw/zinc/96/17/57/748961757.db2.gz JYYANMHMDLCFMI-BDAKNGLRSA-N 0 0 369.238 2.630 20 10 FFCDRN C[C@@H](Cc1ccccn1)NC(=O)NCc1cc(Br)ccc1O ZINC000848671199 748981294 /nfs/dbraw/zinc/98/12/94/748981294.db2.gz VDJKQIWNOVTPEO-NSHDSACASA-N 0 0 364.243 2.980 20 10 FFCDRN Cc1cccc(CNc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c1O ZINC000848910207 749033128 /nfs/dbraw/zinc/03/31/28/749033128.db2.gz IMZNHGYEOFHSDA-UHFFFAOYSA-N 0 0 363.483 2.629 20 10 FFCDRN COc1ccc(O)c(CNc2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000848919001 749034779 /nfs/dbraw/zinc/03/47/79/749034779.db2.gz QDRYQXNULMRWFG-UHFFFAOYSA-N 0 0 350.440 2.572 20 10 FFCDRN CC[C@@H](COC(=O)c1cc(NS(C)(=O)=O)ccc1O)CC(F)F ZINC000849712618 749208824 /nfs/dbraw/zinc/20/88/24/749208824.db2.gz POAPEPWSDLNQEV-SECBINFHSA-N 0 0 351.371 2.602 20 10 FFCDRN CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000850354199 749350640 /nfs/dbraw/zinc/35/06/40/749350640.db2.gz XWFCLRKDARRYFF-UXIGCNINSA-N 0 0 358.276 2.810 20 10 FFCDRN CC(C)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@]1(O)CCCOC1 ZINC000850400723 749359952 /nfs/dbraw/zinc/35/99/52/749359952.db2.gz MPGOINSOUDGOGE-MRXNPFEDSA-N 0 0 358.822 2.611 20 10 FFCDRN CO[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000850484632 749371507 /nfs/dbraw/zinc/37/15/07/749371507.db2.gz NHACSQMKNZTPRB-IMSIIYSGSA-N 0 0 362.239 2.996 20 10 FFCDRN C[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000850506584 749377439 /nfs/dbraw/zinc/37/74/39/749377439.db2.gz FVBBRYHYRDANHL-MEBBXXQBSA-N 0 0 350.242 2.518 20 10 FFCDRN CSCCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852123295 749780400 /nfs/dbraw/zinc/78/04/00/749780400.db2.gz NVMNKRKOZJDQMD-UHFFFAOYSA-N 0 0 351.516 2.590 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N(C)CCc3nccs3)C2)cc1 ZINC000852454472 749863688 /nfs/dbraw/zinc/86/36/88/749863688.db2.gz OYYFKSHTJUHKJK-CQSZACIVSA-N 0 0 360.483 2.615 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@]1(C)CC1(F)F ZINC000852581687 749897197 /nfs/dbraw/zinc/89/71/97/749897197.db2.gz MJJBHYHGAXHFRR-KRWDZBQOSA-N 0 0 353.413 2.710 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCC1CCC(O)CC1 ZINC000853434520 750058071 /nfs/dbraw/zinc/05/80/71/750058071.db2.gz ANZJXCIIDXAJQW-UHFFFAOYSA-N 0 0 363.527 2.590 20 10 FFCDRN O=C(NCCCSc1nccs1)NCC1(O)CCC(F)(F)CC1 ZINC000853859362 750184272 /nfs/dbraw/zinc/18/42/72/750184272.db2.gz TWFIBVBGBLCMJE-UHFFFAOYSA-N 0 0 365.471 2.865 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2nc3cnccc3s2)cc1 ZINC000855020567 750410656 /nfs/dbraw/zinc/41/06/56/750410656.db2.gz SCYRDJDOVFUXIC-UHFFFAOYSA-N 0 0 356.451 2.908 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1cc(F)cc(N2CCOCC2)c1 ZINC000855022852 750411304 /nfs/dbraw/zinc/41/13/04/750411304.db2.gz KYMRJDCJHDJADO-UHFFFAOYSA-N 0 0 364.804 2.951 20 10 FFCDRN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)C2=CC(=O)CS2)nn1C ZINC000855120897 750429767 /nfs/dbraw/zinc/42/97/67/750429767.db2.gz VTKYGAGFGIOINO-UHFFFAOYSA-N 0 0 366.443 2.773 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N(C)Cc3cccs3)CC2)cc1 ZINC000039561510 845069892 /nfs/dbraw/zinc/06/98/92/845069892.db2.gz VMSPSYKFKZEIED-UHFFFAOYSA-N 0 0 359.495 2.537 20 10 FFCDRN C[C@@H](Sc1nccs1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000052914512 845264500 /nfs/dbraw/zinc/26/45/00/845264500.db2.gz UTCLFNCKXKAJIH-VXGBXAGGSA-N 0 0 350.465 2.922 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C)c2)cc1 ZINC000055639163 845335241 /nfs/dbraw/zinc/33/52/41/845335241.db2.gz NSFAZOCBIIVJNL-UHFFFAOYSA-N 0 0 354.453 2.557 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2F)cc1F ZINC000057732519 845379272 /nfs/dbraw/zinc/37/92/72/845379272.db2.gz NLWJPOAYHGTFPI-UHFFFAOYSA-N 0 0 367.783 2.939 20 10 FFCDRN C[C@H](NC(=O)N1CCO[C@@H](C2CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000840272546 970920600 /nfs/dbraw/zinc/92/06/00/970920600.db2.gz ZTYGFPYQHZHAKG-OXJNMPFZSA-N 0 0 373.497 2.795 20 10 FFCDRN CC1([C@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)OCCO1 ZINC000182290566 971017779 /nfs/dbraw/zinc/01/77/79/971017779.db2.gz KCTAVMHGWIQVFM-SFHVURJKSA-N 0 0 373.497 2.971 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NCc2nnnn2-c2c(C)cccc2C)c1 ZINC000182463407 971031162 /nfs/dbraw/zinc/03/11/62/971031162.db2.gz WQRUHZSZZUQXRL-CQSZACIVSA-N 0 0 353.426 2.844 20 10 FFCDRN CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2c(O)cccc2Cl)C1=O ZINC001275837037 1013059090 /nfs/dbraw/zinc/05/90/90/1013059090.db2.gz AOQBFRMQKXMSIL-XIKOKIGWSA-N 0 0 350.846 2.590 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc(-c2nn[nH]n2)c1 ZINC000823229259 946350841 /nfs/dbraw/zinc/35/08/41/946350841.db2.gz JNUURDKSUFLOTN-UHFFFAOYSA-N 0 0 364.409 2.773 20 10 FFCDRN CS[C@@H](C)CNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826225706 947665602 /nfs/dbraw/zinc/66/56/02/947665602.db2.gz ISVPEJZBEUCNGT-LBPRGKRZSA-N 0 0 370.482 2.756 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@@]2(O)CCSC2)CCCC1 ZINC000651432120 971475570 /nfs/dbraw/zinc/47/55/70/971475570.db2.gz UHCOGFGAVRMDFQ-FQEVSTJZSA-N 0 0 374.506 2.513 20 10 FFCDRN COC(=O)c1coc([C@H](C)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000871869895 1013094666 /nfs/dbraw/zinc/09/46/66/1013094666.db2.gz BQFKXUJGCAELPJ-KBPBESRZSA-N 0 0 359.426 2.710 20 10 FFCDRN C[C@@H](CO)CCCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888589167 1013097367 /nfs/dbraw/zinc/09/73/67/1013097367.db2.gz GDNWYCOWIUNEFH-CQSZACIVSA-N 0 0 353.426 2.926 20 10 FFCDRN CCNC(=O)CN(CC)CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000007219313 1013106867 /nfs/dbraw/zinc/10/68/67/1013106867.db2.gz HFFUOJZRUVSPPN-UHFFFAOYSA-N 0 0 359.445 2.874 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2sccc2C#N)cc1 ZINC000298702015 971747608 /nfs/dbraw/zinc/74/76/08/971747608.db2.gz SMFOIUDCMGYIIS-UHFFFAOYSA-N 0 0 356.451 2.721 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](C)c2nncn2C)c(C)n1-c1ccc(C#N)cc1 ZINC000194273424 971855497 /nfs/dbraw/zinc/85/54/97/971855497.db2.gz FHKMBNWBBFANQW-CYBMUJFWSA-N 0 0 362.437 2.628 20 10 FFCDRN Cc1ccc(C(=O)N2CCN(c3cncc4ccccc43)CC2)c(O)c1O ZINC000194289615 971856893 /nfs/dbraw/zinc/85/68/93/971856893.db2.gz VNZSUXCWBYHXTE-UHFFFAOYSA-N 0 0 363.417 2.917 20 10 FFCDRN C[C@H](O)C[C@H](C)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888591987 1013132186 /nfs/dbraw/zinc/13/21/86/1013132186.db2.gz MYCZPDFDJKFBCB-KBPBESRZSA-N 0 0 353.426 2.925 20 10 FFCDRN O=C(CCC1CCCC1)N1CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000026628812 972320709 /nfs/dbraw/zinc/32/07/09/972320709.db2.gz HDMCQSJRLAEBQF-UHFFFAOYSA-N 0 0 360.454 2.736 20 10 FFCDRN CN(c1ccc(C(F)(F)F)nc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001174311918 1013167343 /nfs/dbraw/zinc/16/73/43/1013167343.db2.gz NSQAHIVBQGZDQW-UHFFFAOYSA-N 0 0 359.373 2.691 20 10 FFCDRN CC(C)(C)NC(=O)[C@H]1CCC[C@]12CCN(C(=O)c1ccc(O)c(O)c1)C2 ZINC001271306070 972451745 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CCOc1ccc(O)c(CNc2ccc3cnn(CC(=O)OC)c3c2)c1 ZINC000897095955 973271710 /nfs/dbraw/zinc/27/17/10/973271710.db2.gz XSZNXAMDBIWFPL-UHFFFAOYSA-N 0 0 355.394 2.926 20 10 FFCDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccnn1C ZINC000876275902 1014206666 /nfs/dbraw/zinc/20/66/66/1014206666.db2.gz APHIOXKNBLABJF-GOEBONIOSA-N 0 0 358.442 2.578 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2ccncn2)CCCC1 ZINC000653032813 1014210788 /nfs/dbraw/zinc/21/07/88/1014210788.db2.gz CANWDMRHARRPKN-UHFFFAOYSA-N 0 0 350.422 2.635 20 10 FFCDRN CCCc1nc(C)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000796538896 1014230699 /nfs/dbraw/zinc/23/06/99/1014230699.db2.gz ZGROGZHDPUSQRG-UHFFFAOYSA-N 0 0 373.453 2.817 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(OCc2ccc(F)cc2)CC1 ZINC001167787944 975240813 /nfs/dbraw/zinc/24/08/13/975240813.db2.gz UPVMQLYZTQJZGT-UHFFFAOYSA-N 0 0 359.397 2.987 20 10 FFCDRN CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000876503675 1014286577 /nfs/dbraw/zinc/28/65/77/1014286577.db2.gz 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FFCDRN COCCOCCCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000247824485 977797980 /nfs/dbraw/zinc/79/79/80/977797980.db2.gz FGTDNICNZQYDBV-UHFFFAOYSA-N 0 0 360.454 2.886 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cn(Cc3ccccc3)nn2)c1 ZINC000728979594 978137687 /nfs/dbraw/zinc/13/76/87/978137687.db2.gz IXSFJQWLILAABO-CYBMUJFWSA-N 0 0 352.394 2.532 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc3ccc(=O)oc3c2)c1 ZINC000728981409 978145423 /nfs/dbraw/zinc/14/54/23/978145423.db2.gz ZCJCIAUOYWZRIF-GFCCVEGCSA-N 0 0 369.373 2.763 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(N3CCOCC3)cc2)c1 ZINC000728983006 978146699 /nfs/dbraw/zinc/14/66/99/978146699.db2.gz RGWFCQVWUJULBS-CQSZACIVSA-N 0 0 356.422 2.728 20 10 FFCDRN COCCNC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000728984623 978146768 /nfs/dbraw/zinc/14/67/68/978146768.db2.gz IXTDAJBEBZDZSS-MRXNPFEDSA-N 0 0 358.438 2.710 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cn3cc(C)ccc3n2)c1 ZINC000729048989 978166712 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CC(C)[C@@H](NC(=O)NCc1ccccc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877079982 1014470515 /nfs/dbraw/zinc/47/05/15/1014470515.db2.gz DAJSBBJPFNEJMH-GOSISDBHSA-N 0 0 354.454 2.756 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCN(C)c3ccccc32)cc1 ZINC000178863754 978258598 /nfs/dbraw/zinc/25/85/98/978258598.db2.gz AKNBLFUDQPZMIY-UHFFFAOYSA-N 0 0 352.482 2.667 20 10 FFCDRN C[C@@H](CCNC(=O)NCc1ccccc1O)N(C)C(=O)OC(C)(C)C ZINC001116048411 1032092615 /nfs/dbraw/zinc/09/26/15/1032092615.db2.gz MSUQIHPSSPLZBA-ZDUSSCGKSA-N 0 0 351.447 2.837 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1C ZINC001137118019 1014542227 /nfs/dbraw/zinc/54/22/27/1014542227.db2.gz YYBVCFQKRYDBCI-QGZVFWFLSA-N 0 0 367.449 2.668 20 10 FFCDRN CC[C@H](C)N1CC2(CCC1=O)CCN(C(=O)c1ccc(O)c(O)c1)CC2 ZINC001271857324 979158156 /nfs/dbraw/zinc/15/81/56/979158156.db2.gz NLSRXRGUMCFMGE-AWEZNQCLSA-N 0 0 360.454 2.741 20 10 FFCDRN COc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000109184053 979661462 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OC[C@@H]1CCCN(Cc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C(F)(F)F ZINC000877603749 1014641819 /nfs/dbraw/zinc/64/18/19/1014641819.db2.gz UMHCBPQAKLFGGA-YJBOKZPZSA-N 0 0 372.431 2.783 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC001545668973 980476156 /nfs/dbraw/zinc/47/61/56/980476156.db2.gz DRVQKOWCAXHGQL-OAHLLOKOSA-N 0 0 355.312 2.509 20 10 FFCDRN COC(=O)[C@H](NCc1ccc(N2CC[NH+](C)CC2)cc1)c1ccccc1C ZINC000905788215 980520564 /nfs/dbraw/zinc/52/05/64/980520564.db2.gz KKDVJTDJOVTPAS-OAQYLSRUSA-N 0 0 367.493 2.751 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2coc3c2C(=O)NCCC3)cc1 ZINC000906279355 980612296 /nfs/dbraw/zinc/61/22/96/980612296.db2.gz CHGALALBPVESCL-UHFFFAOYSA-N 0 0 355.438 2.732 20 10 FFCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1cnccn1 ZINC000906464343 980663339 /nfs/dbraw/zinc/66/33/39/980663339.db2.gz KZFAFCSUHKZQRV-VQIMIIECSA-N 0 0 368.481 2.854 20 10 FFCDRN C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H](C)N1CCOCC1 ZINC000729623641 981180320 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COc1ccccc1-c1nnc(CC(=O)NCc2ccc(N(C)C)cc2)o1 ZINC000864576327 1010514604 /nfs/dbraw/zinc/51/46/04/1010514604.db2.gz XXFYWNWFUUPALF-UHFFFAOYSA-N 0 0 366.421 2.670 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H](n2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864628360 1010533978 /nfs/dbraw/zinc/53/39/78/1010533978.db2.gz FVTHAXYQIGMMQA-HNNXBMFYSA-N 0 0 359.430 2.621 20 10 FFCDRN COC(=O)c1cc2c(cc1F)NC(=O)/C2=C\c1nccn1CC(F)(F)F ZINC000794740917 1010569742 /nfs/dbraw/zinc/56/97/42/1010569742.db2.gz MOUFLJRNFLSCQS-UITAMQMPSA-N 0 0 369.274 2.864 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)/C=C\COC2CCOCC2)C2CC2)cc1 ZINC000864786229 1010579111 /nfs/dbraw/zinc/57/91/11/1010579111.db2.gz PCYZIXKPJWKKSJ-ARJAWSKDSA-N 0 0 358.482 2.995 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ncc(OC)cc3F)CC2)cc1 ZINC000864950547 1010649872 /nfs/dbraw/zinc/64/98/72/1010649872.db2.gz ZRZHSQSSPDCTRI-UHFFFAOYSA-N 0 0 359.401 2.590 20 10 FFCDRN CCn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C2CC2)n1 ZINC000864984572 1010664816 /nfs/dbraw/zinc/66/48/16/1010664816.db2.gz 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O=C(Nc1nnco1)[C@@H]1CC12CC[NH+](Cc1cc(Cl)ccc1O)CC2 ZINC001279981993 1044030598 /nfs/dbraw/zinc/03/05/98/1044030598.db2.gz LMWPUEBNNSTOTI-ZDUSSCGKSA-N 0 0 362.817 2.669 20 10 FFCDRN CC(C)(C)C(=O)OCn1ccc2c1ncnc2-c1cnn(CC(C)(C)O)c1 ZINC001240179136 1044251072 /nfs/dbraw/zinc/25/10/72/1044251072.db2.gz BDQXJXAMBBXNFR-UHFFFAOYSA-N 0 0 371.441 2.613 20 10 FFCDRN O=C(Nc1ccc(O)cc1O)[C@]12C[C@H]1CCN2Cc1cc(F)ccc1O ZINC001280291659 1044557412 /nfs/dbraw/zinc/55/74/12/1044557412.db2.gz AOCPMDZTRQUZCB-BLVKFPJESA-N 0 0 358.369 2.546 20 10 FFCDRN CNC(=O)c1cccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC001319145223 1045044507 /nfs/dbraw/zinc/04/45/07/1045044507.db2.gz DJCWJCGJRJPNKC-UHFFFAOYSA-N 0 0 366.465 2.704 20 10 FFCDRN CCOC(=O)c1cc2c(cc(C)nc2-c2cnn(C(C)(C)CO)c2)n1C ZINC001244100747 1045080009 /nfs/dbraw/zinc/08/00/09/1045080009.db2.gz FXXFTBUJUDQMIU-UHFFFAOYSA-N 0 0 356.426 2.649 20 10 FFCDRN CCOc1ccc(N2CCN(CC(=O)NCc3ccccc3F)CC2)cc1 ZINC001319398190 1045136983 /nfs/dbraw/zinc/13/69/83/1045136983.db2.gz ZVXVQDOUSJTIBC-UHFFFAOYSA-N 0 0 371.456 2.663 20 10 FFCDRN CCOc1ccc(N2CCN(CC(=O)N3CCCC[C@@H]3CC)CC2)cc1 ZINC001319452777 1045154758 /nfs/dbraw/zinc/15/47/58/1045154758.db2.gz ZGRTXZDHEUOIRN-SFHVURJKSA-N 0 0 359.514 2.998 20 10 FFCDRN C[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)CN(C)C(=O)OC(C)(C)C ZINC001320174210 1045361663 /nfs/dbraw/zinc/36/16/63/1045361663.db2.gz LXFFCZDAXDUFSP-XOVSCCBYSA-N 0 0 364.442 2.730 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@@H](C(C)=O)C3(C)C)CC2)cc1 ZINC001320526161 1045423741 /nfs/dbraw/zinc/42/37/41/1045423741.db2.gz TWHKWWVVRTZICS-RBUKOAKNSA-N 0 0 358.482 2.985 20 10 FFCDRN CCOC(=O)C[C@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC001320787417 1045468293 /nfs/dbraw/zinc/46/82/93/1045468293.db2.gz SQNXJRRDANXZKX-GFCCVEGCSA-N 0 0 357.501 2.753 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCSc3ccccc32)cc1 ZINC001321350947 1045637414 /nfs/dbraw/zinc/63/74/14/1045637414.db2.gz YRAWRCVEQPXRPZ-QGZVFWFLSA-N 0 0 369.490 2.722 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccc(C)cc1 ZINC001321362154 1045640435 /nfs/dbraw/zinc/64/04/35/1045640435.db2.gz ZDXKIHFFOFSMKP-KRWDZBQOSA-N 0 0 371.433 2.629 20 10 FFCDRN CCOC(=O)c1ncc(C(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC001321364780 1045642195 /nfs/dbraw/zinc/64/21/95/1045642195.db2.gz LXFIOJMMHSVMPD-UHFFFAOYSA-N 0 0 360.435 2.834 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccc(NC(=O)C3CC3)cc2)c(O)c1 ZINC001321496315 1045685323 /nfs/dbraw/zinc/68/53/23/1045685323.db2.gz LXBWSHCJHAHTLQ-UHFFFAOYSA-N 0 0 369.421 2.749 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC[C@@H]1CC ZINC001321511543 1045690279 /nfs/dbraw/zinc/69/02/79/1045690279.db2.gz NISWTTWTNVBAFX-XHSDSOJGSA-N 0 0 363.454 2.905 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)Cc1ccccc1 ZINC001323726310 1045699215 /nfs/dbraw/zinc/69/92/15/1045699215.db2.gz VXKMUMWCULYTOV-UHFFFAOYSA-N 0 0 354.450 2.736 20 10 FFCDRN CC[C@H](CC(F)(F)F)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001321658562 1045745460 /nfs/dbraw/zinc/74/54/60/1045745460.db2.gz NIEPWVUVWIAGFP-CQSZACIVSA-N 0 0 371.403 2.750 20 10 FFCDRN C[C@H](Cc1cccs1)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001324322038 1045968577 /nfs/dbraw/zinc/96/85/77/1045968577.db2.gz ASDCFOPJLWYCCD-CQSZACIVSA-N 0 0 359.495 2.520 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCc3ccc(F)cc32)cc1 ZINC001322562751 1046133325 /nfs/dbraw/zinc/13/33/25/1046133325.db2.gz MYQTZQJLPVNZCG-LJQANCHMSA-N 0 0 369.440 2.654 20 10 FFCDRN O=c1n(CN2CCCc3cc(OC(F)F)ccc32)nc2n1CCCCC2 ZINC001324644489 1046144387 /nfs/dbraw/zinc/14/43/87/1046144387.db2.gz NIJCLRJFLHKXHC-UHFFFAOYSA-N 0 0 364.396 2.783 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCCc2ccsc2)C2CC2)cc1 ZINC001322889589 1046262627 /nfs/dbraw/zinc/26/26/27/1046262627.db2.gz HEBISRIXEBCTGC-UHFFFAOYSA-N 0 0 371.506 2.664 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)CN3CCCCCCC3=O)CC2)cc1 ZINC001323193481 1046379804 /nfs/dbraw/zinc/37/98/04/1046379804.db2.gz PTSNKIKHMJRUBS-UHFFFAOYSA-N 0 0 373.497 2.527 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1cc2ccccc2o1)c1ccc(N(C)C)cc1 ZINC001325125047 1046383159 /nfs/dbraw/zinc/38/31/59/1046383159.db2.gz FDVQLVAYEAHLPJ-AWEZNQCLSA-N 0 0 365.433 2.992 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCC(=O)N(C)C2=O)c1 ZINC001325912439 1046684925 /nfs/dbraw/zinc/68/49/25/1046684925.db2.gz ICCOOXWQMRZXPF-INIZCTEOSA-N 0 0 373.840 2.625 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c1 ZINC001326021160 1046727324 /nfs/dbraw/zinc/72/73/24/1046727324.db2.gz BBJRDFBYSVBMNP-KDOFPFPSSA-N 0 0 362.857 2.563 20 10 FFCDRN C[C@H]1SCC[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001326159771 1046790597 /nfs/dbraw/zinc/79/05/97/1046790597.db2.gz OLXQUHJYXAIPHG-CZUORRHYSA-N 0 0 374.462 2.524 20 10 FFCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@H](c3cccnc3)C2)c1[N+](=O)[O-] ZINC001326296071 1046856554 /nfs/dbraw/zinc/85/65/54/1046856554.db2.gz OSWOGYNHTCSTPD-ZDUSSCGKSA-N 0 0 358.354 2.693 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(-c2nnc([C@@H](C)NS(C)(=O)=O)o2)cc1 ZINC001326302834 1046860954 /nfs/dbraw/zinc/86/09/54/1046860954.db2.gz OPPOIRSASBXBQA-CYBMUJFWSA-N 0 0 360.439 2.754 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)c1 ZINC001326312969 1046866806 /nfs/dbraw/zinc/86/68/06/1046866806.db2.gz IUZQXQYIDREXDS-GXTWGEPZSA-N 0 0 364.442 2.710 20 10 FFCDRN Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC001326456605 1046940789 /nfs/dbraw/zinc/94/07/89/1046940789.db2.gz FZWKMFOXMSCFFV-VIFPVBQESA-N 0 0 366.259 2.990 20 10 FFCDRN CS[C@@H]1CC[C@@H](N(C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC001326994610 1047155902 /nfs/dbraw/zinc/15/59/02/1047155902.db2.gz CTYCJWOFVWCECL-KBRIMQKVSA-N 0 0 363.527 2.672 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cnc4cnccc4c3)CC2)cc1 ZINC001326997892 1047157038 /nfs/dbraw/zinc/15/70/38/1047157038.db2.gz SZSORZPRTUWCRG-UHFFFAOYSA-N 0 0 362.433 2.991 20 10 FFCDRN CC(C)c1nnc(N(C)[C@@H]2CCOC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001287178945 1047213873 /nfs/dbraw/zinc/21/38/73/1047213873.db2.gz NHKJTCMAQGKCKY-OAHLLOKOSA-N 0 0 361.465 2.880 20 10 FFCDRN [O-]c1c(F)cccc1C[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000827365445 1048029279 /nfs/dbraw/zinc/02/92/79/1048029279.db2.gz LCQYKPWDVOBZHE-UHFFFAOYSA-N 0 0 355.457 2.976 20 10 FFCDRN Cn1ccnc1[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC001290386001 1048076743 /nfs/dbraw/zinc/07/67/43/1048076743.db2.gz KWEYTGCRWMDTOX-SFHVURJKSA-N 0 0 371.824 2.933 20 10 FFCDRN C[C@@H]1Cn2nccc2N(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC001332078180 1048237746 /nfs/dbraw/zinc/23/77/46/1048237746.db2.gz WNAGMKGLLQSSTI-LBPRGKRZSA-N 0 0 353.451 2.809 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)NCc3c(O)ccc4c3CCCC4)O2)CO1 ZINC001332085871 1048240697 /nfs/dbraw/zinc/24/06/97/1048240697.db2.gz URGOFZFGFQUVOF-NVAPDCRFSA-N 0 0 374.481 2.797 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H](C)CC(F)F)cc1 ZINC001328337567 1048265072 /nfs/dbraw/zinc/26/50/72/1048265072.db2.gz LCNZWGCCZJXUDM-CQSZACIVSA-N 0 0 369.456 2.899 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)c1cc(F)ccc1F ZINC001329215194 1048621465 /nfs/dbraw/zinc/62/14/65/1048621465.db2.gz WLTHPMXXRAWUKA-MRXNPFEDSA-N 0 0 362.376 2.896 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@]1(C)CC1(F)F ZINC001329648163 1048828503 /nfs/dbraw/zinc/82/85/03/1048828503.db2.gz MKMJUVXLVFTCJH-KRWDZBQOSA-N 0 0 354.397 2.682 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3[nH]c(CO)nc3c2)cc1 ZINC001291711686 1048852935 /nfs/dbraw/zinc/85/29/35/1048852935.db2.gz TUILCKACAGSUAB-UHFFFAOYSA-N 0 0 352.438 2.831 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccsc1 ZINC001330412308 1049158979 /nfs/dbraw/zinc/15/89/79/1049158979.db2.gz INELGCPCVUHPCF-ZWKOTPCHSA-N 0 0 371.506 2.835 20 10 FFCDRN COc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1N1CCOC1=O ZINC001334176390 1049293866 /nfs/dbraw/zinc/29/38/66/1049293866.db2.gz KUWKXMIIEDVHQV-UHFFFAOYSA-N 0 0 369.377 2.905 20 10 FFCDRN CCc1nnc(N(C)Cc2ccc(N3CCOCC3)cc2)n1[C@@H]1C[C@@H]1C ZINC001292832656 1049408765 /nfs/dbraw/zinc/40/87/65/1049408765.db2.gz GYFQVVBJQOEKKY-MAUKXSAKSA-N 0 0 355.486 2.894 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3Cc4ccccc4O3)CC2)cc1F ZINC001294824856 1049814637 /nfs/dbraw/zinc/81/46/37/1049814637.db2.gz PHOCKPZFZIYWRC-KRWDZBQOSA-N 0 0 370.424 2.877 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/C1CCOCC1 ZINC001295590335 1049956040 /nfs/dbraw/zinc/95/60/40/1049956040.db2.gz GNSCSWPFKQFPHQ-GORDUTHDSA-N 0 0 367.829 2.530 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Cn2ccnc2)c1 ZINC001296245061 1050041069 /nfs/dbraw/zinc/04/10/69/1050041069.db2.gz BKENFUYRRUNCRN-AWEZNQCLSA-N 0 0 351.406 2.704 20 10 FFCDRN COc1ccc2[nH]c([C@@H](C)NC(=O)C=Cc3ccc(O)c(O)c3)nc2c1 ZINC001296766343 1050091301 /nfs/dbraw/zinc/09/13/01/1050091301.db2.gz BUXBENUTWYOOGP-LAUIRUGDSA-N 0 0 353.378 2.873 20 10 FFCDRN COC(OC)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001296944179 1050106814 /nfs/dbraw/zinc/10/68/14/1050106814.db2.gz LGJMQJVRLOHFEM-HNNXBMFYSA-N 0 0 356.382 2.939 20 10 FFCDRN COCCn1c([C@@H](C)O)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001342040687 1050637993 /nfs/dbraw/zinc/63/79/93/1050637993.db2.gz NZTKRSJFVJKYFM-MRXNPFEDSA-N 0 0 373.501 2.605 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c(C)ccc(F)c3N)CC2)c(OC)c1 ZINC001302000968 1051027467 /nfs/dbraw/zinc/02/74/67/1051027467.db2.gz RQMHEGWJOWWPKF-UHFFFAOYSA-N 0 0 373.428 2.696 20 10 FFCDRN C[C@H](NC(=O)c1cc(Br)c(C=O)n1C)c1ccccc1O ZINC001302538627 1051127644 /nfs/dbraw/zinc/12/76/44/1051127644.db2.gz XCDDDMDCJWGPQO-VIFPVBQESA-N 0 0 351.200 2.797 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001542321739 1071209283 /nfs/dbraw/zinc/20/92/83/1071209283.db2.gz HEFPHVDJFKNLPC-INIZCTEOSA-N 0 0 368.393 2.753 20 10 FFCDRN O=C(Cc1ccccc1OCc1ccncc1)NCc1cccc(O)c1O ZINC001303195205 1051299849 /nfs/dbraw/zinc/29/98/49/1051299849.db2.gz SRZPTWANDNVCTM-UHFFFAOYSA-N 0 0 364.401 2.931 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c(F)cc(F)cc2OC)c1 ZINC001340972208 1051305050 /nfs/dbraw/zinc/30/50/50/1051305050.db2.gz JWULCQOCIQXHBO-SECBINFHSA-N 0 0 373.377 2.727 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3csc(-c4ncc[nH]4)n3)ccc21 ZINC001542389636 1071225514 /nfs/dbraw/zinc/22/55/14/1071225514.db2.gz IZQQHDQJXKNHMU-UHFFFAOYSA-N 0 0 353.451 2.846 20 10 FFCDRN C[C@H]1CN(c2ccc(CNc3c([N+](=O)[O-])cnn3C)cc2F)C[C@H](C)O1 ZINC001342846601 1051455377 /nfs/dbraw/zinc/45/53/77/1051455377.db2.gz FNQXALZHQNERJF-RYUDHWBXSA-N 0 0 363.393 2.693 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1nccnc1Sc1ccccc1 ZINC001304053554 1051515563 /nfs/dbraw/zinc/51/55/63/1051515563.db2.gz NRYLKRWLBIBPBA-UHFFFAOYSA-N 0 0 353.403 2.969 20 10 FFCDRN CCOCCc1nnc(N2CCCN(c3ccc(OC)cc3)CC2)n1CC ZINC001341307590 1051662966 /nfs/dbraw/zinc/66/29/66/1051662966.db2.gz CMDPLBUVAMKUHW-UHFFFAOYSA-N 0 0 373.501 2.602 20 10 FFCDRN C[C@@H]1CCC(F)(F)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001341310924 1051665862 /nfs/dbraw/zinc/66/58/62/1051665862.db2.gz WTIJQTZQHGJQSX-CQSZACIVSA-N 0 0 353.413 2.852 20 10 FFCDRN Cc1nnc(N2C[C@H](C)[C@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001304806906 1051711893 /nfs/dbraw/zinc/71/18/93/1051711893.db2.gz OHRYGUNWJKQNJL-IYBDPMFKSA-N 0 0 355.486 2.564 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3c4c(nn3C)CCCC4)CC2)cc1 ZINC001341407139 1051763629 /nfs/dbraw/zinc/76/36/29/1051763629.db2.gz PWZUJKKDYCKBKL-UHFFFAOYSA-N 0 0 368.481 2.660 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)Cc3c(C)noc3Cl)CC2)cc1 ZINC001341406517 1051764284 /nfs/dbraw/zinc/76/42/84/1051764284.db2.gz IQEJJGZADVPDGF-UHFFFAOYSA-N 0 0 363.845 2.926 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000750819456 1052137565 /nfs/dbraw/zinc/13/75/65/1052137565.db2.gz BGZNKEWSRLJJKJ-CQSZACIVSA-N 0 0 374.372 2.724 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)S(=O)(=O)N=C2Cl ZINC001307091955 1052250501 /nfs/dbraw/zinc/25/05/01/1052250501.db2.gz LKWJKTSQDZNYHR-VIFPVBQESA-N 0 0 366.826 2.829 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)OC[C@@H]2COC(=O)C2)CCCC1 ZINC001345140693 1052287514 /nfs/dbraw/zinc/28/75/14/1052287514.db2.gz OTIQTYDQYRZWPY-ZDUSSCGKSA-N 0 0 357.406 2.635 20 10 FFCDRN Cc1ccc(C(=O)NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c(O)c1O ZINC000752875060 1052311571 /nfs/dbraw/zinc/31/15/71/1052311571.db2.gz QYCBFJZPIKUABV-UHFFFAOYSA-N 0 0 355.350 2.768 20 10 FFCDRN CC(C)Oc1ccc(N(C)[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)cc1 ZINC001307677987 1052334741 /nfs/dbraw/zinc/33/47/41/1052334741.db2.gz FETJHEDONJSMEV-KRWDZBQOSA-N 0 0 362.470 2.853 20 10 FFCDRN C[C@H]1CN(c2nnc(C3SC=CC3=O)n2C[C@H]2CCCO2)CCCO1 ZINC001343792392 1052423466 /nfs/dbraw/zinc/42/34/66/1052423466.db2.gz NVPUDNFOIHDOIQ-QWHCGFSZSA-N 0 0 364.471 2.506 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)c1 ZINC001308256970 1052437619 /nfs/dbraw/zinc/43/76/19/1052437619.db2.gz OAKANXDZRZQUEC-QWHCGFSZSA-N 0 0 357.292 2.662 20 10 FFCDRN COCCCN(C)c1nnc(C2SC=CC2=O)n1C[C@@H]1CCCCO1 ZINC001345471071 1052461954 /nfs/dbraw/zinc/46/19/54/1052461954.db2.gz AEPIEEDMJNFGHC-ZDUSSCGKSA-N 0 0 366.487 2.754 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccnn1CC1CCC1 ZINC001309173423 1052568061 /nfs/dbraw/zinc/56/80/61/1052568061.db2.gz FVMBDUMUIXLONP-UHFFFAOYSA-N 0 0 362.499 2.536 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(Cc2ccoc2)n1C[C@@H]1CCCO1 ZINC001344105957 1052599907 /nfs/dbraw/zinc/59/99/07/1052599907.db2.gz YRAUONUUYNXFJZ-KRWDZBQOSA-N 0 0 368.437 2.983 20 10 FFCDRN CCC[C@H](C)CS(=O)(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001309365910 1052606399 /nfs/dbraw/zinc/60/63/99/1052606399.db2.gz SFZYHJHDSJSMQK-INIZCTEOSA-N 0 0 354.516 2.973 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCC(F)(F)C2)n1C[C@H]1CCOC1 ZINC001344228286 1052644242 /nfs/dbraw/zinc/64/42/42/1052644242.db2.gz KAIFISDZRRQVST-SNVBAGLBSA-N 0 0 356.398 2.594 20 10 FFCDRN CCOC(=O)C1(CC(F)F)CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC001345903097 1052664048 /nfs/dbraw/zinc/66/40/48/1052664048.db2.gz ZYIAUGGGIFSHJT-UHFFFAOYSA-N 0 0 354.397 2.638 20 10 FFCDRN O=C(NCCc1nc(Cc2ccccc2)no1)N1Cc2cccc(O)c2C1 ZINC001346642572 1053178516 /nfs/dbraw/zinc/17/85/16/1053178516.db2.gz SZPFTZRMVJFKPX-UHFFFAOYSA-N 0 0 364.405 2.634 20 10 FFCDRN O=C(NCc1ccccc1O)N[C@@H]1C[C@@]2(CCOC2)Oc2ccccc21 ZINC001346864518 1053389713 /nfs/dbraw/zinc/38/97/13/1053389713.db2.gz DGDLNQSGOXBFGN-OXQOHEQNSA-N 0 0 354.406 2.874 20 10 FFCDRN Nc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)cc1 ZINC001335609713 1053463428 /nfs/dbraw/zinc/46/34/28/1053463428.db2.gz LGQYRAISIJISQN-RTBURBONSA-N 0 0 366.465 2.809 20 10 FFCDRN COC(=O)c1ccccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001335739011 1053532716 /nfs/dbraw/zinc/53/27/16/1053532716.db2.gz IEWIJQSFIAQXPU-HNNXBMFYSA-N 0 0 368.433 2.801 20 10 FFCDRN O=C(C[C@H]1COCCN1Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC001335894126 1053627463 /nfs/dbraw/zinc/62/74/63/1053627463.db2.gz USEWNGITTKLKOV-IBGZPJMESA-N 0 0 370.449 2.590 20 10 FFCDRN CCCNC(=O)[C@H](C)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001336175856 1053816715 /nfs/dbraw/zinc/81/67/15/1053816715.db2.gz JANGEKMOQFEOIX-AWEZNQCLSA-N 0 0 355.438 2.551 20 10 FFCDRN Oc1cc(Br)ccc1CN1CCn2c(CC3CC3)nnc2C1 ZINC001347401707 1053939681 /nfs/dbraw/zinc/93/96/81/1053939681.db2.gz UGGMKLSCDRIQAH-UHFFFAOYSA-N 0 0 363.259 2.715 20 10 FFCDRN CCOc1ccc(N2CCN(c3cc(C(C)C)nc4ncnn43)CC2)cc1 ZINC001336414787 1053980383 /nfs/dbraw/zinc/98/03/83/1053980383.db2.gz SQGYBKFMDLDOFU-UHFFFAOYSA-N 0 0 366.469 2.973 20 10 FFCDRN Cc1cc(C(=O)Nc2n[nH]cc2C(N)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC001347524313 1054069658 /nfs/dbraw/zinc/06/96/58/1054069658.db2.gz WYPPSIKZZVOFTN-UHFFFAOYSA-N 0 0 351.410 2.785 20 10 FFCDRN COc1cc([C@H](C)NC(=O)NCc2ccc(N)cc2)cc(OC)c1OC ZINC001336755344 1054198175 /nfs/dbraw/zinc/19/81/75/1054198175.db2.gz HMULJAXRHBLLGY-LBPRGKRZSA-N 0 0 359.426 2.855 20 10 FFCDRN CCOCCOc1cc(C)ccc1CNC(=O)NCc1ccc(N)cc1 ZINC001336844979 1054279488 /nfs/dbraw/zinc/27/94/88/1054279488.db2.gz MDMAVQNXTCCNID-UHFFFAOYSA-N 0 0 357.454 2.992 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc(Cl)n1 ZINC001337034092 1054425856 /nfs/dbraw/zinc/42/58/56/1054425856.db2.gz GSMLHZBHYWVXHC-UHFFFAOYSA-N 0 0 372.856 2.681 20 10 FFCDRN O=C([C@@H]1OC[C@@H]2COCC[C@H]12)N(Cc1ccco1)Cc1ccccc1O ZINC001337186037 1054541677 /nfs/dbraw/zinc/54/16/77/1054541677.db2.gz MHJSTEOKFJCHAP-VDZJLULYSA-N 0 0 357.406 2.566 20 10 FFCDRN CC[C@H](O)[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCO1 ZINC001348130509 1054678377 /nfs/dbraw/zinc/67/83/77/1054678377.db2.gz XQEOSVUTBGLPCU-XIRDDKMYSA-N 0 0 374.485 2.674 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)C3SCCCS3)CC2)cc1 ZINC001348531159 1054766902 /nfs/dbraw/zinc/76/69/02/1054766902.db2.gz DDBWHPKAONVJBQ-UHFFFAOYSA-N 0 0 352.525 2.930 20 10 FFCDRN CNS(=O)(=O)c1cc(NCc2ccc(N3CCCC3)cc2)ccc1F ZINC001348596933 1054811197 /nfs/dbraw/zinc/81/11/97/1054811197.db2.gz SDXVWOZWIOOXSO-UHFFFAOYSA-N 0 0 363.458 2.946 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c(Cl)n1 ZINC001337635316 1054910465 /nfs/dbraw/zinc/91/04/65/1054910465.db2.gz ZGZDARDTWCJFIQ-UHFFFAOYSA-N 0 0 372.856 2.681 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc4c(cn3)OCCC4)C2)cc1 ZINC001348967964 1055024737 /nfs/dbraw/zinc/02/47/37/1055024737.db2.gz UUWMFVKSHWOJJH-OAHLLOKOSA-N 0 0 367.449 2.672 20 10 FFCDRN Nc1ccc(CN2CCNC(=O)[C@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC001356083634 1055275033 /nfs/dbraw/zinc/27/50/33/1055275033.db2.gz WGFDCTSWXIPNRW-MRXNPFEDSA-N 0 0 365.355 2.841 20 10 FFCDRN CCO[C@H](C)c1noc(CN2CC[NH+](Cc3cccc(CC)c3O)CC2)n1 ZINC000848889588 1055306694 /nfs/dbraw/zinc/30/66/94/1055306694.db2.gz MTHWABIFPSNEMR-OAHLLOKOSA-N 0 0 374.485 2.753 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cncc(-n2ccnn2)c1 ZINC001356268368 1055426363 /nfs/dbraw/zinc/42/63/63/1055426363.db2.gz XUKWOGLPZADSOR-UHFFFAOYSA-N 0 0 362.437 2.535 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@@H](C)c3nc(C)no3)C2)cc1 ZINC000847386946 1055671824 /nfs/dbraw/zinc/67/18/24/1055671824.db2.gz JLXQGRLTSMZARU-DZGCQCFKSA-N 0 0 373.457 2.616 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CCc3ccccc3NC2=O)c1 ZINC000847396984 1055694355 /nfs/dbraw/zinc/69/43/55/1055694355.db2.gz MKENDGTXQPRVIS-YVEFUNNKSA-N 0 0 369.421 2.715 20 10 FFCDRN CCSc1ccccc1CCNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001352870137 1055883445 /nfs/dbraw/zinc/88/34/45/1055883445.db2.gz FTYBZQPGUUXNEC-UHFFFAOYSA-N 0 0 372.490 2.822 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)CS(C)(=O)=O)c1 ZINC001339002059 1056005072 /nfs/dbraw/zinc/00/50/72/1056005072.db2.gz ACCQLQQQHWHFBH-LLVKDONJSA-N 0 0 368.886 2.910 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC001200204782 1056030550 /nfs/dbraw/zinc/03/05/50/1056030550.db2.gz XOKAGYGPIFMOFA-UHFFFAOYSA-N 0 0 351.403 2.790 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c1 ZINC001300180564 1056034642 /nfs/dbraw/zinc/03/46/42/1056034642.db2.gz XCNVNFJVOLTJNO-IJEWVQPXSA-N 0 0 367.449 2.644 20 10 FFCDRN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001351342299 1056209760 /nfs/dbraw/zinc/20/97/60/1056209760.db2.gz ISHPXRCGVSKASO-OALUTQOASA-N 0 0 368.481 2.808 20 10 FFCDRN CCN(C)C(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001353268313 1056243968 /nfs/dbraw/zinc/24/39/68/1056243968.db2.gz QDOIXQYYPSDUOK-RAXLEYEMSA-N 0 0 352.456 2.895 20 10 FFCDRN COC(=O)c1cc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)nn1C ZINC001544538052 1071657512 /nfs/dbraw/zinc/65/75/12/1071657512.db2.gz MNKFNMVVDHLVNI-UHFFFAOYSA-N 0 0 366.421 2.795 20 10 FFCDRN C[C@H](c1ccccc1)[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000849230520 1056804126 /nfs/dbraw/zinc/80/41/26/1056804126.db2.gz HFIKGSZKHVSFSK-OXQOHEQNSA-N 0 0 354.450 2.870 20 10 FFCDRN CN1CCc2cc(NCc3ccc(N4CCOCC4)c(F)c3)ccc2C1=O ZINC000849347410 1056835579 /nfs/dbraw/zinc/83/55/79/1056835579.db2.gz IIBPSRQKAYMIGI-UHFFFAOYSA-N 0 0 369.440 2.903 20 10 FFCDRN FC(F)(F)COc1cncc(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000849347568 1056836120 /nfs/dbraw/zinc/83/61/20/1056836120.db2.gz PAEGXKDSLQCVGW-UHFFFAOYSA-N 0 0 368.359 2.866 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cccc3[nH]c(CO)nc32)cc1 ZINC001544580110 1071663526 /nfs/dbraw/zinc/66/35/26/1071663526.db2.gz FRQIDLFVMVDEDK-UHFFFAOYSA-N 0 0 352.438 2.831 20 10 FFCDRN COc1ccc(N2CC[C@H](N3C(=O)N[C@@H](c4ccccc4F)C3=O)C2)cc1 ZINC000849356459 1056841167 /nfs/dbraw/zinc/84/11/67/1056841167.db2.gz FICIEZDMCIRZRS-KSSFIOAISA-N 0 0 369.396 2.706 20 10 FFCDRN COc1ccc(N2CC[C@@H](N3C(=O)[C@H](c4ccccc4)N(C)C3=O)C2)cc1 ZINC000849358468 1056842223 /nfs/dbraw/zinc/84/22/23/1056842223.db2.gz WJKCELYXDFDGLP-MJGOQNOKSA-N 0 0 365.433 2.909 20 10 FFCDRN O=C1CN(Cc2ccccc2O)C(=O)N1[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000849362590 1056842390 /nfs/dbraw/zinc/84/23/90/1056842390.db2.gz SCFMCBSGADEBHA-JCNLHEQBSA-N 0 0 352.390 2.766 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001300402496 1058184955 /nfs/dbraw/zinc/18/49/55/1058184955.db2.gz YFKKCKHAUPHEKZ-HNNXBMFYSA-N 0 0 362.788 2.854 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCO[C@H](C(F)(F)F)C2)n1CC1CC1 ZINC001518347656 1058350894 /nfs/dbraw/zinc/35/08/94/1058350894.db2.gz XDFCHOGRJFSUJG-NSHDSACASA-N 0 0 374.388 2.890 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2ccco2)cc1 ZINC001545482836 1071790310 /nfs/dbraw/zinc/79/03/10/1071790310.db2.gz SABXEHKTSNXWRX-CQSZACIVSA-N 0 0 370.365 2.556 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(COC2CCOCC2)cc1 ZINC001446575361 1058529576 /nfs/dbraw/zinc/52/95/76/1058529576.db2.gz XCQJIROHZCCKDI-UHFFFAOYSA-N 0 0 371.433 2.652 20 10 FFCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(C)C1 ZINC001446807376 1058555690 /nfs/dbraw/zinc/55/56/90/1058555690.db2.gz UAULMBLGAORZGG-YJBOKZPZSA-N 0 0 352.434 2.960 20 10 FFCDRN Cn1nc(Br)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001450049592 1058964894 /nfs/dbraw/zinc/96/48/94/1058964894.db2.gz GTJQPDWHJSMIAW-UHFFFAOYSA-N 0 0 351.164 2.597 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1CC1(C)COC1 ZINC001503487211 1059033657 /nfs/dbraw/zinc/03/36/57/1059033657.db2.gz JCZLMCBGYQGZOK-UHFFFAOYSA-N 0 0 353.426 2.652 20 10 FFCDRN CCCn1c([C@H]2OCC[C@H]2COC)nnc1N(C)Cc1ccccc1O ZINC001514838544 1059119257 /nfs/dbraw/zinc/11/92/57/1059119257.db2.gz GSLSAVXRRRWYHO-RDJZCZTQSA-N 0 0 360.458 2.754 20 10 FFCDRN 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Cc1ccc(N2CCC[C@H](NC(=O)NCc3c(O)cccc3F)C2=O)cc1 ZINC001564179234 1076612972 /nfs/dbraw/zinc/61/29/72/1076612972.db2.gz HGUBJDRRZHAKGM-KRWDZBQOSA-N 0 0 371.412 2.835 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H]2CCOc3ccc(OC)cc32)c(O)c1 ZINC001564507837 1076638706 /nfs/dbraw/zinc/63/87/06/1076638706.db2.gz QFZBUPGRZJDZSN-MRXNPFEDSA-N 0 0 358.394 2.732 20 10 FFCDRN O=C(NCc1ccc(Br)cn1)NCc1c(O)cccc1F ZINC001565235437 1076701106 /nfs/dbraw/zinc/70/11/06/1076701106.db2.gz QTBZKZSNDOFDTK-UHFFFAOYSA-N 0 0 354.179 2.688 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ncccc2Br)c(O)c1 ZINC001565472701 1076733361 /nfs/dbraw/zinc/73/33/61/1076733361.db2.gz SDXPPRCUVJNTDN-UHFFFAOYSA-N 0 0 366.215 2.558 20 10 FFCDRN CC(=O)N1Cc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2C1 ZINC001566198733 1076932394 /nfs/dbraw/zinc/93/23/94/1076932394.db2.gz NYVBDOCVIOPYTO-UHFFFAOYSA-N 0 0 351.366 2.963 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C1=Cc2ccccc2O[C@H]1C(F)F ZINC001566370272 1076952485 /nfs/dbraw/zinc/95/24/85/1076952485.db2.gz UGRAAAAVUYEGFD-QGZVFWFLSA-N 0 0 361.344 2.866 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3ccncc3)nn2C)c1 ZINC001566374563 1076953043 /nfs/dbraw/zinc/95/30/43/1076953043.db2.gz MXLINDMSWKZJMK-GFCCVEGCSA-N 0 0 352.394 2.687 20 10 FFCDRN O=C(c1nnc(-c2ccco2)o1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001566685803 1076974853 /nfs/dbraw/zinc/97/48/53/1076974853.db2.gz FKGICIGDTFAWGS-CQSZACIVSA-N 0 0 369.377 2.857 20 10 FFCDRN Cc1cc(-c2ncco2)ccc1NC(=O)C1=S=C(S(N)(=O)=O)C=C1 ZINC001569602219 1077154906 /nfs/dbraw/zinc/15/49/06/1077154906.db2.gz AOTFQDFCKUXUIC-UHFFFAOYSA-N 0 0 363.420 2.714 20 10 FFCDRN CC(C)(C)OC(=O)Nc1ccc(C(=O)NCc2ccc(O)cc2O)cn1 ZINC001570462994 1077207555 /nfs/dbraw/zinc/20/75/55/1077207555.db2.gz DJXBIAXEUMRXEX-UHFFFAOYSA-N 0 0 359.382 2.770 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC001570533998 1077214029 /nfs/dbraw/zinc/21/40/29/1077214029.db2.gz ZUGZLCQFMIRKSS-UHFFFAOYSA-N 0 0 363.295 2.990 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3Cc4ccccc4O3)C2)cc1 ZINC001585994326 1079522560 /nfs/dbraw/zinc/52/25/60/1079522560.db2.gz IXPKGUTWRIWIRR-QFBILLFUSA-N 0 0 352.434 2.784 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(OC(F)F)nc3)C2)cc1 ZINC001587115139 1079740020 /nfs/dbraw/zinc/74/00/20/1079740020.db2.gz WKHRHYXTGJUQJE-CYBMUJFWSA-N 0 0 363.364 2.700 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1C[C@H](CNC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC001587467403 1079796631 /nfs/dbraw/zinc/79/66/31/1079796631.db2.gz BURYZWWLXPBMTP-UYCWGREVSA-N 0 0 362.426 2.531 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)CCc1ccc(O)cc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589836941 1080788284 /nfs/dbraw/zinc/78/82/84/1080788284.db2.gz RAGXAOLYIRHOMB-QWHCGFSZSA-N 0 0 353.426 2.950 20 10 FFCDRN C[C@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-])c1cnn(CC2CCC2)c1 ZINC001589953805 1080900285 /nfs/dbraw/zinc/90/02/85/1080900285.db2.gz VYCSSHGOQGWHHR-STQMWFEESA-N 0 0 367.457 2.981 20 10 FFCDRN C[C@H]([NH2+]CCCc1nc2ccccc2[nH]1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589960956 1080905616 /nfs/dbraw/zinc/90/56/16/1080905616.db2.gz LHPRKQCAEMRBFJ-LBPRGKRZSA-N 0 0 363.425 2.732 20 10 FFCDRN C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589984627 1080922756 /nfs/dbraw/zinc/92/27/56/1080922756.db2.gz RJKQCMOWXLHOMC-NSHDSACASA-N 0 0 364.409 2.638 20 10 FFCDRN Cc1cc(C(=O)NCCS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 ZINC000072028344 208794048 /nfs/dbraw/zinc/79/40/48/208794048.db2.gz LMDLSFRVFAMXHP-UHFFFAOYSA-N 0 0 354.859 2.522 20 10 FFCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C)c1 ZINC000066209589 506449643 /nfs/dbraw/zinc/44/96/43/506449643.db2.gz QDWBBKZVAMPZLY-UHFFFAOYSA-N 0 0 367.449 2.859 20 10 FFCDRN CCOc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1OC ZINC000054285241 506532095 /nfs/dbraw/zinc/53/20/95/506532095.db2.gz QGNSUMKYIVZGCU-UHFFFAOYSA-N 0 0 370.449 2.861 20 10 FFCDRN C[C@H](CCc1ccco1)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786447 506622591 /nfs/dbraw/zinc/62/25/91/506622591.db2.gz OMLCDAXPBKNHBM-MRXNPFEDSA-N 0 0 357.454 2.937 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCn2c(C)csc2=O)cc1F ZINC000066841612 506660499 /nfs/dbraw/zinc/66/04/99/506660499.db2.gz BOOOLYRXDSADNN-UHFFFAOYSA-N 0 0 365.474 2.910 20 10 FFCDRN CC(C)(C)SCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000067408687 506865748 /nfs/dbraw/zinc/86/57/48/506865748.db2.gz IFWYUCQGRFGPRS-UHFFFAOYSA-N 0 0 351.516 2.854 20 10 FFCDRN COc1ccc(CNC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000012556398 506878787 /nfs/dbraw/zinc/87/87/87/506878787.db2.gz VMMGOPANAKTUEP-UHFFFAOYSA-N 0 0 355.438 2.736 20 10 FFCDRN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000067531913 506911624 /nfs/dbraw/zinc/91/16/24/506911624.db2.gz SLROGLXJCDBSRH-UHFFFAOYSA-N 0 0 360.385 2.916 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NC2CCN(c3ccccn3)CC2)cc1 ZINC000046943795 507227792 /nfs/dbraw/zinc/22/77/92/507227792.db2.gz MCKOYVKFCHQWEY-UHFFFAOYSA-N 0 0 367.497 2.958 20 10 FFCDRN CN(CCCNC(=O)N(C)Cc1ccccc1O)C(=O)OC(C)(C)C ZINC000046978775 507238882 /nfs/dbraw/zinc/23/88/82/507238882.db2.gz CYISQAGICJAEKZ-UHFFFAOYSA-N 0 0 351.447 2.791 20 10 FFCDRN COc1cccc(CNC(=O)CCc2c(C)nc(SC)nc2C)c1O ZINC000068488437 507248600 /nfs/dbraw/zinc/24/86/00/507248600.db2.gz CBUURGKAIKPJKH-UHFFFAOYSA-N 0 0 361.467 2.779 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1O ZINC000068488969 507248660 /nfs/dbraw/zinc/24/86/60/507248660.db2.gz BAIPKLUZTVKNAV-CQSZACIVSA-N 0 0 364.442 2.664 20 10 FFCDRN Cc1onc(-c2cccnc2)c1C(=O)N1CCN2CCOc3cccc1c32 ZINC000377565559 512329492 /nfs/dbraw/zinc/32/94/92/512329492.db2.gz SIPUVGGQUCSKGZ-UHFFFAOYSA-N 0 0 362.389 2.904 20 10 FFCDRN CCc1nnc2ccc(NCc3ccc(N4CCC(CO)CC4)cc3)nn21 ZINC000068668237 507294822 /nfs/dbraw/zinc/29/48/22/507294822.db2.gz HYBRNWWZLSDOOP-UHFFFAOYSA-N 0 0 366.469 2.508 20 10 FFCDRN CN(C)c1ccc(CNc2nc3c(cnn3C(C)(C)C)c(=O)[nH]2)cc1F ZINC000068900649 507355699 /nfs/dbraw/zinc/35/56/99/507355699.db2.gz MDYUYKLNMHTGQG-UHFFFAOYSA-N 0 0 358.421 2.692 20 10 FFCDRN Cc1csc(N2CCN(C(=O)NCc3ccc(N(C)C)cc3)CC2)n1 ZINC000047970708 507426394 /nfs/dbraw/zinc/42/63/94/507426394.db2.gz LDXIQWJXSZMMQE-UHFFFAOYSA-N 0 0 359.499 2.549 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)cc1F ZINC000069914873 507582269 /nfs/dbraw/zinc/58/22/69/507582269.db2.gz CIMLOUGUSPHJDL-OAHLLOKOSA-N 0 0 363.477 2.793 20 10 FFCDRN COC(=O)COc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000027356873 507649945 /nfs/dbraw/zinc/64/99/45/507649945.db2.gz FXNRLBSTNCLZSE-UHFFFAOYSA-N 0 0 357.410 2.626 20 10 FFCDRN O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)c1ccc(O)c(O)c1 ZINC000071074841 507691891 /nfs/dbraw/zinc/69/18/91/507691891.db2.gz VPOBFXGASIZSOG-JTQLQIEISA-N 0 0 367.452 2.515 20 10 FFCDRN CC(C)C(=O)N1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000028334009 507720539 /nfs/dbraw/zinc/72/05/39/507720539.db2.gz SGZGQZPHCCKILL-UHFFFAOYSA-N 0 0 357.498 2.798 20 10 FFCDRN Cc1ccc(C(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000072888448 507869491 /nfs/dbraw/zinc/86/94/91/507869491.db2.gz GZHSNDSIOIWUSU-UHFFFAOYSA-N 0 0 352.434 2.673 20 10 FFCDRN CC(=O)c1ccccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000072987364 507881635 /nfs/dbraw/zinc/88/16/35/507881635.db2.gz CBPQEARSXRTDHF-UHFFFAOYSA-N 0 0 356.397 2.795 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC3(CNC(=O)C3)CC2)cc1 ZINC000073316766 507913358 /nfs/dbraw/zinc/91/33/58/507913358.db2.gz HBEBVQUAZLCPNA-UHFFFAOYSA-N 0 0 351.450 2.836 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(C(N)=O)cc2)cc1F ZINC000109018876 507932451 /nfs/dbraw/zinc/93/24/51/507932451.db2.gz SMIIVXNXQBIYOV-UHFFFAOYSA-N 0 0 372.444 2.770 20 10 FFCDRN COc1cccc(CNc2ccc(C(=O)NC3CC3)cc2[N+](=O)[O-])c1O ZINC000091479214 507988671 /nfs/dbraw/zinc/98/86/71/507988671.db2.gz FFMUNZOZTNNMTC-UHFFFAOYSA-N 0 0 357.366 2.813 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@@H](C)c3c(C)n[nH]c3C)CC2)cc1 ZINC000110059252 508004087 /nfs/dbraw/zinc/00/40/87/508004087.db2.gz JDHBZCBRETYOGU-AWEZNQCLSA-N 0 0 356.470 2.878 20 10 FFCDRN COCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)no1 ZINC000079829987 508004790 /nfs/dbraw/zinc/00/47/90/508004790.db2.gz DRDUJZOIYNGBGE-QGZVFWFLSA-N 0 0 373.453 2.708 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCCCOC1CCOCC1 ZINC000074542546 508033543 /nfs/dbraw/zinc/03/35/43/508033543.db2.gz SJZQMSBAUYHXCU-UHFFFAOYSA-N 0 0 350.459 2.900 20 10 FFCDRN C[C@@H](NC(=O)c1cccs1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159730 508087025 /nfs/dbraw/zinc/08/70/25/508087025.db2.gz ZDJIKSVCCMDQLG-GFCCVEGCSA-N 0 0 358.463 2.767 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CC2CCCCC2)C2CC2)c1 ZINC000094032246 508164023 /nfs/dbraw/zinc/16/40/23/508164023.db2.gz SEYWKHFWKXZUFS-UHFFFAOYSA-N 0 0 366.483 2.949 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2C2CCCCC2)c1 ZINC000094020200 508164029 /nfs/dbraw/zinc/16/40/29/508164029.db2.gz BCUQPYIYCHYMDL-MRXNPFEDSA-N 0 0 366.483 2.949 20 10 FFCDRN COc1ccc(N2CCC3(CC2)NC(=O)CN3Cc2ccccc2)cc1 ZINC000112370067 508180348 /nfs/dbraw/zinc/18/03/48/508180348.db2.gz JLCROKOSVIKPQF-UHFFFAOYSA-N 0 0 351.450 2.624 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCCc2occc21 ZINC000097216693 508222068 /nfs/dbraw/zinc/22/20/68/508222068.db2.gz UTQMQYFLGALCGB-SFHVURJKSA-N 0 0 355.438 2.993 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)CC1CCCCC1 ZINC000101569642 508247982 /nfs/dbraw/zinc/24/79/82/508247982.db2.gz NUBIBLMRFPTWDJ-UHFFFAOYSA-N 0 0 366.527 2.865 20 10 FFCDRN CCS(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000077313499 508298476 /nfs/dbraw/zinc/29/84/76/508298476.db2.gz XQJYNAKKCACVDH-UHFFFAOYSA-N 0 0 374.506 2.747 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC(n4ccnc4)CC3)ccc21 ZINC000103311736 508306563 /nfs/dbraw/zinc/30/65/63/508306563.db2.gz HVRASFJRTIDFBL-UHFFFAOYSA-N 0 0 353.470 2.812 20 10 FFCDRN CC(C)(CO)CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000086405543 508325704 /nfs/dbraw/zinc/32/57/04/508325704.db2.gz RUDITERXODLFBY-QGZVFWFLSA-N 0 0 364.486 2.882 20 10 FFCDRN O=C(CCSc1ccccn1)NCc1ccc(N2CCOCC2)cc1 ZINC000087170005 508340648 /nfs/dbraw/zinc/34/06/48/508340648.db2.gz QCZOUDOGKWQQJO-UHFFFAOYSA-N 0 0 357.479 2.717 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1CSCCS1 ZINC000152646144 508485674 /nfs/dbraw/zinc/48/56/74/508485674.db2.gz WFGFQJJCLSEPLY-KRWDZBQOSA-N 0 0 366.552 2.720 20 10 FFCDRN COc1cccc(CNC(=O)[C@@]2(C)CCCN2C(=O)c2ccccc2)c1O ZINC000116975934 508574769 /nfs/dbraw/zinc/57/47/69/508574769.db2.gz RRNUJHAKTFNQIA-OAQYLSRUSA-N 0 0 368.433 2.712 20 10 FFCDRN CS[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000117484368 508601978 /nfs/dbraw/zinc/60/19/78/508601978.db2.gz QKUZXAHVOYQMGM-AEFFLSMTSA-N 0 0 363.527 2.997 20 10 FFCDRN Cc1cc(C(=O)CN2CCCN(C(N)=O)CC2)c(C)n1-c1cccc(F)c1 ZINC000153622574 508610837 /nfs/dbraw/zinc/61/08/37/508610837.db2.gz MIHSYIABJMKJCB-UHFFFAOYSA-N 0 0 372.444 2.502 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCCC[C@H]1c1ncon1 ZINC000123192395 508650476 /nfs/dbraw/zinc/65/04/76/508650476.db2.gz XHWZSPUEXZVCJD-YOCVDRLZSA-N 0 0 368.437 2.673 20 10 FFCDRN C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000371469099 512420420 /nfs/dbraw/zinc/42/04/20/512420420.db2.gz DAAHAHUZDYILOB-YCPHGPKFSA-N 0 0 369.849 2.637 20 10 FFCDRN CN(C)c1cccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000154722293 508842572 /nfs/dbraw/zinc/84/25/72/508842572.db2.gz WSQYMQPXQKWAIC-UHFFFAOYSA-N 0 0 356.382 2.628 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCCCO1 ZINC000119844116 508874710 /nfs/dbraw/zinc/87/47/10/508874710.db2.gz SDXJISMAGLIFME-MRXNPFEDSA-N 0 0 372.387 2.727 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000120568124 509023366 /nfs/dbraw/zinc/02/33/66/509023366.db2.gz IYSVRVLHOLNLHS-LBPRGKRZSA-N 0 0 361.471 2.633 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)nn(CC)c1C ZINC000125842335 509036123 /nfs/dbraw/zinc/03/61/23/509036123.db2.gz FOEGPXOEILPUJB-UHFFFAOYSA-N 0 0 358.442 2.603 20 10 FFCDRN COc1ccccc1N1CC[C@@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000132497871 509038580 /nfs/dbraw/zinc/03/85/80/509038580.db2.gz OHIAKBLNAOXBPM-MRXNPFEDSA-N 0 0 355.438 2.821 20 10 FFCDRN C[C@H](O)CCN(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000151575443 509045980 /nfs/dbraw/zinc/04/59/80/509045980.db2.gz PCKKZLMMNPVXEX-ZDUSSCGKSA-N 0 0 371.428 2.669 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(n2ccnc2)CC1 ZINC000155664998 509048301 /nfs/dbraw/zinc/04/83/01/509048301.db2.gz RFZJDXBVVQKDIU-UHFFFAOYSA-N 0 0 351.454 2.806 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CCN3C)cc1F ZINC000155920710 509093750 /nfs/dbraw/zinc/09/37/50/509093750.db2.gz MTDSTUHEGYEZDT-UHFFFAOYSA-N 0 0 370.428 2.600 20 10 FFCDRN Cc1nccn1CCCN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000121269336 509160509 /nfs/dbraw/zinc/16/05/09/509160509.db2.gz QNHOOULKPZTWAW-UHFFFAOYSA-N 0 0 355.486 2.806 20 10 FFCDRN C[C@@H](c1nccs1)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000185552248 509232466 /nfs/dbraw/zinc/23/24/66/509232466.db2.gz LYKPANRBSUQQMH-HNNXBMFYSA-N 0 0 373.526 2.798 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccc(N3CCCC3)nn2)C2CC2)cc1 ZINC000263941452 509238352 /nfs/dbraw/zinc/23/83/52/509238352.db2.gz SBIMGNUCIGTUGT-UHFFFAOYSA-N 0 0 365.481 2.948 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(N2CCCCCC2)nc1 ZINC000179090019 509259365 /nfs/dbraw/zinc/25/93/65/509259365.db2.gz FKYMXKGMPMXETG-UHFFFAOYSA-N 0 0 355.438 2.846 20 10 FFCDRN CCCC(=O)N1CCCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188909836 509320227 /nfs/dbraw/zinc/32/02/27/509320227.db2.gz CTOKCHHLRDHGFR-KRWDZBQOSA-N 0 0 359.470 2.659 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)C(=O)N1CCCC[C@@H]1C ZINC000264085197 509323164 /nfs/dbraw/zinc/32/31/64/509323164.db2.gz IOQGVTJSMWTGHD-JKSUJKDBSA-N 0 0 360.502 2.684 20 10 FFCDRN Cc1cc(C(=O)Nc2ccn(CC(N)=O)n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000267163670 509375056 /nfs/dbraw/zinc/37/50/56/509375056.db2.gz ARNOWWLQFDNPEZ-UHFFFAOYSA-N 0 0 365.437 2.645 20 10 FFCDRN C[C@@H]1Oc2c(cccc2C(=O)NCc2ccc(N(C)C)c(F)c2)NC1=O ZINC000264223134 509392270 /nfs/dbraw/zinc/39/22/70/509392270.db2.gz VASXRJPELYTBAB-NSHDSACASA-N 0 0 357.385 2.541 20 10 FFCDRN CC[C@H](C)C(=O)N1CCC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000173202466 509452520 /nfs/dbraw/zinc/45/25/20/509452520.db2.gz ZKOSENOPLDYPCN-HOTGVXAUSA-N 0 0 373.497 2.763 20 10 FFCDRN CSc1ncc(Cl)c(C(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000173207329 509455246 /nfs/dbraw/zinc/45/52/46/509455246.db2.gz FCEKOHOVXIGIEE-UHFFFAOYSA-N 0 0 364.858 2.957 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)COCCOc1ccccc1 ZINC000173207835 509456142 /nfs/dbraw/zinc/45/61/42/509456142.db2.gz TWEKQYBUHSKCIR-UHFFFAOYSA-N 0 0 356.422 2.574 20 10 FFCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)N(C)CC(=O)NC1CC1 ZINC000164240442 509480360 /nfs/dbraw/zinc/48/03/60/509480360.db2.gz IOQBFTRKGBMJNP-SNVBAGLBSA-N 0 0 355.529 2.658 20 10 FFCDRN CN(C)c1cccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000164246126 509480589 /nfs/dbraw/zinc/48/05/89/509480589.db2.gz VVUBLXHSBWHEGD-UHFFFAOYSA-N 0 0 354.454 2.731 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCC(=O)OC(C)(C)C ZINC000192377829 509490145 /nfs/dbraw/zinc/49/01/45/509490145.db2.gz SPMQDVFRDJTWNK-UHFFFAOYSA-N 0 0 362.470 2.604 20 10 FFCDRN CNC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000182943856 509509810 /nfs/dbraw/zinc/50/98/10/509509810.db2.gz ABKBHCVAHPRPHK-UHFFFAOYSA-N 0 0 354.410 2.543 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NC[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179586190 509525712 /nfs/dbraw/zinc/52/57/12/509525712.db2.gz ZCTYWSRHXYKRAC-KRWDZBQOSA-N 0 0 367.449 2.582 20 10 FFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)ccc3F)c2)CC1 ZINC000189339967 509528555 /nfs/dbraw/zinc/52/85/55/509528555.db2.gz WYEQEMWHOZLHEP-UHFFFAOYSA-N 0 0 359.376 2.886 20 10 FFCDRN Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(O)c1O ZINC000267622808 509570463 /nfs/dbraw/zinc/57/04/63/509570463.db2.gz VETFRJLGQLHLNH-HNNXBMFYSA-N 0 0 356.378 2.776 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1c(F)cccc1F ZINC000173396323 509570797 /nfs/dbraw/zinc/57/07/97/509570797.db2.gz HKEVWHRYEJQVOS-UHFFFAOYSA-N 0 0 360.360 2.804 20 10 FFCDRN CC(C)C[C@H]([NH3+])C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000166290355 509600957 /nfs/dbraw/zinc/60/09/57/509600957.db2.gz FDEAUAHNUHDFFW-INIZCTEOSA-N 0 0 355.429 2.746 20 10 FFCDRN Cc1nn(C)c(C)c1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000173477326 509625798 /nfs/dbraw/zinc/62/57/98/509625798.db2.gz ZLCIKVIYVJJSFJ-QGZVFWFLSA-N 0 0 372.469 2.633 20 10 FFCDRN COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1O ZINC000268109826 509760769 /nfs/dbraw/zinc/76/07/69/509760769.db2.gz YUSGSKJJCUWIRZ-UHFFFAOYSA-N 0 0 356.422 2.510 20 10 FFCDRN Nc1ccc(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000237893913 509764685 /nfs/dbraw/zinc/76/46/85/509764685.db2.gz YWRSCRPKOWRSDK-UHFFFAOYSA-N 0 0 365.264 2.862 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccn(C)c2=O)cc1 ZINC000265031171 509830236 /nfs/dbraw/zinc/83/02/36/509830236.db2.gz NERBPJKHKFSMES-UHFFFAOYSA-N 0 0 367.371 2.656 20 10 FFCDRN CCNc1ncc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000177090442 509864775 /nfs/dbraw/zinc/86/47/75/509864775.db2.gz PXPOBJFUVCLSCA-UHFFFAOYSA-N 0 0 360.483 2.936 20 10 FFCDRN CCN1C(=O)/C(=C\c2csc(N(C(C)=O)C3CC3)n2)SC1=S ZINC000265132728 509878996 /nfs/dbraw/zinc/87/89/96/509878996.db2.gz KCQRNEHKVOELDO-IZZDOVSWSA-N 0 0 353.494 2.880 20 10 FFCDRN COC(=O)C1CCN(C(=O)CSc2ncc(C(C)(C)C)s2)CC1 ZINC000268368370 509892865 /nfs/dbraw/zinc/89/28/65/509892865.db2.gz YFCUFEHHOPFQJE-UHFFFAOYSA-N 0 0 356.513 2.944 20 10 FFCDRN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000265155882 509894843 /nfs/dbraw/zinc/89/48/43/509894843.db2.gz LMPNCKDCCDIAFL-ZWKOTPCHSA-N 0 0 372.513 2.515 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](c2ccc(F)cc2F)C1 ZINC000186872285 509922958 /nfs/dbraw/zinc/92/29/58/509922958.db2.gz WOJUMTRCHXCRRY-VBAWXRRRSA-N 0 0 361.344 2.989 20 10 FFCDRN Cc1cccnc1/C=C/C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000183682364 509925467 /nfs/dbraw/zinc/92/54/67/509925467.db2.gz BOWCFPUJUMTNCP-CMDGGOBGSA-N 0 0 365.477 2.928 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1O[C@H]1CCOC1 ZINC000268472706 509954317 /nfs/dbraw/zinc/95/43/17/509954317.db2.gz KTMMIQOYSIGEAD-AWEZNQCLSA-N 0 0 358.394 2.630 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCCc2nnc3n2CCCCC3)cc1 ZINC000171141384 509965042 /nfs/dbraw/zinc/96/50/42/509965042.db2.gz IFEGVRJSVKQGAU-UHFFFAOYSA-N 0 0 370.501 2.503 20 10 FFCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000193754930 510051449 /nfs/dbraw/zinc/05/14/49/510051449.db2.gz YNWNEFBYBYZRNW-KYNGSXCRSA-N 0 0 368.433 2.515 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cc1 ZINC000180684508 510054753 /nfs/dbraw/zinc/05/47/53/510054753.db2.gz GUUZQKZXBLNYGE-ONNFQVAWSA-N 0 0 368.433 2.859 20 10 FFCDRN CCc1cnc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000190322422 510064100 /nfs/dbraw/zinc/06/41/00/510064100.db2.gz DXRBCGQQEJFKSO-UHFFFAOYSA-N 0 0 358.467 2.561 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C(=O)CC2CCCCC2)CC1 ZINC000180732456 510080023 /nfs/dbraw/zinc/08/00/23/510080023.db2.gz HSBPAOQJAFOXJU-VQHVLOKHSA-N 0 0 372.465 2.752 20 10 FFCDRN Cc1cc(C(=O)N2CCC(NC(N)=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000174394890 510092868 /nfs/dbraw/zinc/09/28/68/510092868.db2.gz MUADJLSPKXBDQM-UHFFFAOYSA-N 0 0 358.417 2.506 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc(OC)c(OC)cc2OC)c1O ZINC000268927092 510141775 /nfs/dbraw/zinc/14/17/75/510141775.db2.gz WIMUBKICYGEWGC-UHFFFAOYSA-N 0 0 362.382 2.748 20 10 FFCDRN NC(=O)N[C@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1cccs1 ZINC000174514244 510152234 /nfs/dbraw/zinc/15/22/34/510152234.db2.gz DAWUHGPZFZRADF-OAHLLOKOSA-N 0 0 373.478 2.748 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4n3CCCCC4)C2)c(O)c1O ZINC000177666221 510189119 /nfs/dbraw/zinc/18/91/19/510189119.db2.gz VKJXXCZGJZNHPH-CQSZACIVSA-N 0 0 370.453 2.744 20 10 FFCDRN COC(=O)Nc1ccc(CCNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000265715413 510191832 /nfs/dbraw/zinc/19/18/32/510191832.db2.gz YCJVORWVCPKEBZ-UHFFFAOYSA-N 0 0 370.453 2.973 20 10 FFCDRN Cc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c(O)c1O ZINC000177670109 510192375 /nfs/dbraw/zinc/19/23/75/510192375.db2.gz FOJCLLGAOWMXGB-UHFFFAOYSA-N 0 0 360.454 2.661 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000190577466 510218622 /nfs/dbraw/zinc/21/86/22/510218622.db2.gz ZWSGYWKAAOVBMO-ZCNNSNEGSA-N 0 0 369.509 2.798 20 10 FFCDRN COc1cc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)ccc1F ZINC000187434626 510263158 /nfs/dbraw/zinc/26/31/58/510263158.db2.gz FRCXCIAQAQVDCA-UHFFFAOYSA-N 0 0 372.396 2.674 20 10 FFCDRN NC(=O)c1ccc(N2CCCCC2)c(NC(=O)Cc2ccc(N)cc2)c1 ZINC000269208875 510292342 /nfs/dbraw/zinc/29/23/42/510292342.db2.gz NVJLTPZZGLVIRD-UHFFFAOYSA-N 0 0 352.438 2.539 20 10 FFCDRN Nc1ccc(CC(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)cc1 ZINC000269242693 510305701 /nfs/dbraw/zinc/30/57/01/510305701.db2.gz BZTJNDJNXIDGBF-UHFFFAOYSA-N 0 0 364.493 2.982 20 10 FFCDRN Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(Cl)c1 ZINC000269245005 510306434 /nfs/dbraw/zinc/30/64/34/510306434.db2.gz LLUDGASGPWCMFC-UHFFFAOYSA-N 0 0 363.820 2.828 20 10 FFCDRN CC[NH+]1CCN(c2ccc(NC(=O)Cc3ccc(N)cc3)c(C)c2)CC1 ZINC000269272763 510317985 /nfs/dbraw/zinc/31/79/85/510317985.db2.gz UHBYZFOSYMAOML-UHFFFAOYSA-N 0 0 352.482 2.900 20 10 FFCDRN COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000187671321 510379484 /nfs/dbraw/zinc/37/94/84/510379484.db2.gz RWCLMBIATPYBMA-LLVKDONJSA-N 0 0 350.365 2.646 20 10 FFCDRN COc1cc(C)c(S(=O)(=O)NCCc2ccc(N)cc2)cc1Cl ZINC000262788545 510412552 /nfs/dbraw/zinc/41/25/52/510412552.db2.gz RAIVJSRMVHJLLV-UHFFFAOYSA-N 0 0 354.859 2.760 20 10 FFCDRN COc1cccc(CNC(=O)N[C@H]2CCOC3(CCSCC3)C2)c1O ZINC000269469015 510421967 /nfs/dbraw/zinc/42/19/67/510421967.db2.gz IRGPWDICDUWCMF-AWEZNQCLSA-N 0 0 366.483 2.645 20 10 FFCDRN O=S(=O)(NCc1ccc(N2CCC(CO)CC2)cc1)C1CCCCC1 ZINC000266148871 510434714 /nfs/dbraw/zinc/43/47/14/510434714.db2.gz IVMQTEJRDKRXND-UHFFFAOYSA-N 0 0 366.527 2.647 20 10 FFCDRN Cc1csc2nc(CN3CCOc4cc(N(C)C)ccc43)cc(=O)n12 ZINC000175027608 510445057 /nfs/dbraw/zinc/44/50/57/510445057.db2.gz VNOSUSFSUBHJHH-UHFFFAOYSA-N 0 0 356.451 2.529 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1cccs1 ZINC000181587676 510487063 /nfs/dbraw/zinc/48/70/63/510487063.db2.gz CNHRXROSDWYIGM-UHFFFAOYSA-N 0 0 353.827 2.851 20 10 FFCDRN CC(=O)N1CCN(c2ccc(OC[C@H](O)CCc3ccccc3)cc2)CC1 ZINC000184728640 510488064 /nfs/dbraw/zinc/48/80/64/510488064.db2.gz QRPCMBMTHOQVCW-OAQYLSRUSA-N 0 0 368.477 2.728 20 10 FFCDRN O=S(=O)(c1cccc2nsnc21)N1CCc2c1cc(F)cc2F ZINC000194768990 510520263 /nfs/dbraw/zinc/52/02/63/510520263.db2.gz HAMPDCDLKSYQTM-UHFFFAOYSA-N 0 0 353.375 2.721 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(OCCOC)CC2)cc1 ZINC000172061436 510523434 /nfs/dbraw/zinc/52/34/34/510523434.db2.gz RHMKWPDKHRVVOG-UHFFFAOYSA-N 0 0 363.502 2.870 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1O ZINC000175227728 510542327 /nfs/dbraw/zinc/54/23/27/510542327.db2.gz CZQXVKLYUMDAQE-UHFFFAOYSA-N 0 0 353.422 2.776 20 10 FFCDRN O=Cc1ccccc1OCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269787519 510546281 /nfs/dbraw/zinc/54/62/81/510546281.db2.gz IIBPFBPUFTWJJF-SFHVURJKSA-N 0 0 369.417 2.791 20 10 FFCDRN Cc1noc2nc(C)cc(C(=O)N3CCOc4cc(N(C)C)ccc43)c12 ZINC000266384947 510554787 /nfs/dbraw/zinc/55/47/87/510554787.db2.gz YDDIWSYFSPWARM-UHFFFAOYSA-N 0 0 352.394 2.945 20 10 FFCDRN COc1ccc(N(C)C[C@@H](O)COc2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000269809875 510555076 /nfs/dbraw/zinc/55/50/76/510555076.db2.gz LYKGUJRIPATNGQ-MRXNPFEDSA-N 0 0 374.437 2.538 20 10 FFCDRN C[C@@H]1CN(CCN(C)C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H](C)O1 ZINC000194902081 510582543 /nfs/dbraw/zinc/58/25/43/510582543.db2.gz ZDAGQFYRXVYZFI-HDICACEKSA-N 0 0 374.529 2.537 20 10 FFCDRN O=C(C[C@@H]1Oc2ccccc2NC1=O)NCc1c(O)ccc2c1CCCC2 ZINC000266549888 510653172 /nfs/dbraw/zinc/65/31/72/510653172.db2.gz MYQPSZATFMDLMI-IBGZPJMESA-N 0 0 366.417 2.677 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@H]1Cc2ccccc2O1 ZINC000172313976 510662685 /nfs/dbraw/zinc/66/26/85/510662685.db2.gz YLNGHORBSVHGAZ-OAQYLSRUSA-N 0 0 366.461 2.515 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCOC2(CCCCC2)C1 ZINC000266566800 510662711 /nfs/dbraw/zinc/66/27/11/510662711.db2.gz PLHLBKIPAGVGJA-UHFFFAOYSA-N 0 0 373.497 2.768 20 10 FFCDRN Cc1nc(C)c(CNC(=O)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000266584314 510672328 /nfs/dbraw/zinc/67/23/28/510672328.db2.gz RSNMLMIUXNKKQQ-UHFFFAOYSA-N 0 0 360.483 2.596 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000263683796 510789358 /nfs/dbraw/zinc/78/93/58/510789358.db2.gz FFWREQWHSQVRHD-AWEZNQCLSA-N 0 0 363.458 2.839 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCSC3(CCOCC3)C2)cc1F ZINC000185291623 510792504 /nfs/dbraw/zinc/79/25/04/510792504.db2.gz IPJCWCKSXCSWDD-UHFFFAOYSA-N 0 0 367.490 2.699 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000191761584 510819240 /nfs/dbraw/zinc/81/92/40/510819240.db2.gz PMCWNGVGAWCWEN-AWEZNQCLSA-N 0 0 360.479 2.743 20 10 FFCDRN Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000275445430 510899563 /nfs/dbraw/zinc/89/95/63/510899563.db2.gz GCYVKOMOLDNOPM-WFASDCNBSA-N 0 0 366.805 2.697 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000275464348 510901342 /nfs/dbraw/zinc/90/13/42/510901342.db2.gz XDXNQYAJJSZHPZ-ICSRJNTNSA-N 0 0 370.497 2.921 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)[C@H](C)C3(C)C)CC2)cc1 ZINC000275482519 510901542 /nfs/dbraw/zinc/90/15/42/510901542.db2.gz NFKWQLOFGXJQSZ-MAUKXSAKSA-N 0 0 358.482 2.985 20 10 FFCDRN O=C(NCc1ccccc1O)N[C@H]1CCCN(c2ccccc2F)C1=O ZINC000270595565 510918341 /nfs/dbraw/zinc/91/83/41/510918341.db2.gz UVQOWBJRNIQGDW-HNNXBMFYSA-N 0 0 357.385 2.526 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NOCc1ccccc1 ZINC000297396534 510930249 /nfs/dbraw/zinc/93/02/49/510930249.db2.gz FVLIPYKTYYWQHQ-UHFFFAOYSA-N 0 0 355.438 2.796 20 10 FFCDRN COCCOCCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000276261916 510932309 /nfs/dbraw/zinc/93/23/09/510932309.db2.gz WTKGHAZMDAHRLS-UHFFFAOYSA-N 0 0 352.258 2.810 20 10 FFCDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000276529433 510939638 /nfs/dbraw/zinc/93/96/38/510939638.db2.gz KXXIVWWDZXKHHH-NUTKFTJISA-N 0 0 371.433 2.966 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2cncn2C)cc1 ZINC000276645605 510943737 /nfs/dbraw/zinc/94/37/37/510943737.db2.gz VPVTWPHJVORENB-HXUWFJFHSA-N 0 0 370.497 2.627 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cncc(OC)n1 ZINC000276803757 510946698 /nfs/dbraw/zinc/94/66/98/510946698.db2.gz RDAOBAHAPDJEFF-UHFFFAOYSA-N 0 0 366.215 2.616 20 10 FFCDRN CC(=O)NCCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000282378348 510952598 /nfs/dbraw/zinc/95/25/98/510952598.db2.gz BPMXGHKAOWJUIG-CYBMUJFWSA-N 0 0 366.893 2.512 20 10 FFCDRN COc1ccc2c(c1)[C@@H](C(=O)NCc1ccc(N3CCOCC3)cc1)CC2 ZINC000277333524 510960298 /nfs/dbraw/zinc/96/02/98/510960298.db2.gz YOPWWRJNEACZLL-FQEVSTJZSA-N 0 0 366.461 2.878 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cn(C(C)C)cn1 ZINC000282398415 510960851 /nfs/dbraw/zinc/96/08/51/510960851.db2.gz QFKFGMKXRDTCDZ-UHFFFAOYSA-N 0 0 365.817 2.638 20 10 FFCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1F ZINC000277450583 510963919 /nfs/dbraw/zinc/96/39/19/510963919.db2.gz UZZACPPUTYGPAJ-OAHLLOKOSA-N 0 0 368.449 2.947 20 10 FFCDRN C[C@H](NC(=O)CC(C)(C)C)C(=O)NCc1cccc(Br)c1O ZINC000277596913 510967069 /nfs/dbraw/zinc/96/70/69/510967069.db2.gz SXZBGZNPDKHINL-JTQLQIEISA-N 0 0 371.275 2.712 20 10 FFCDRN CC(C)c1ncncc1C(=O)NCc1cccc(Br)c1O ZINC000277609126 510967156 /nfs/dbraw/zinc/96/71/56/510967156.db2.gz VCVHMJSZNAXHNU-UHFFFAOYSA-N 0 0 350.216 2.998 20 10 FFCDRN COCCn1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2O)cn1 ZINC000282435410 510976291 /nfs/dbraw/zinc/97/62/91/510976291.db2.gz DLXKNDCUMMKVHA-NSHDSACASA-N 0 0 354.248 2.848 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1OCCC(F)(F)F ZINC000277915066 510976349 /nfs/dbraw/zinc/97/63/49/510976349.db2.gz PQZLMNIVDTVERC-UHFFFAOYSA-N 0 0 352.696 2.694 20 10 FFCDRN C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278152428 510983106 /nfs/dbraw/zinc/98/31/06/510983106.db2.gz AGNSBOLYHJJECE-LLVKDONJSA-N 0 0 374.312 2.902 20 10 FFCDRN COc1ccc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)nc1 ZINC000278457991 510993953 /nfs/dbraw/zinc/99/39/53/510993953.db2.gz ZHVBEOLWGKPRJI-SFHVURJKSA-N 0 0 371.437 2.687 20 10 FFCDRN Cc1ccn2ncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)c2c1 ZINC000270871209 511010728 /nfs/dbraw/zinc/01/07/28/511010728.db2.gz BBBUXKVMDDXPNZ-UHFFFAOYSA-N 0 0 368.412 2.548 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]nc1-c1ccoc1 ZINC000278854830 511012105 /nfs/dbraw/zinc/01/21/05/511012105.db2.gz AMUMGGUHNYOWRO-UHFFFAOYSA-N 0 0 366.421 2.779 20 10 FFCDRN CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H](O)C(F)(F)F ZINC000270879501 511013067 /nfs/dbraw/zinc/01/30/67/511013067.db2.gz OEULFLUVEAXKRL-DZGCQCFKSA-N 0 0 355.360 2.921 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1CCSCC1 ZINC000285747869 511014066 /nfs/dbraw/zinc/01/40/66/511014066.db2.gz PPPJAZHHEYWQHQ-UHFFFAOYSA-N 0 0 364.511 2.780 20 10 FFCDRN O=C(NC[C@H]1CCSC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279320736 511044238 /nfs/dbraw/zinc/04/42/38/511044238.db2.gz PISPPLALINXBQL-ZBFHGGJFSA-N 0 0 350.484 2.836 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)/N=c1/ccnc2n(C)[nH]cc1-2 ZINC000287624607 511054674 /nfs/dbraw/zinc/05/46/74/511054674.db2.gz NUMSJCYUDGFJBE-JWGURIENSA-N 0 0 353.426 2.882 20 10 FFCDRN Cc1nn2c(CN(C)Cc3ccc(N4CCOCC4)cc3)c(C)nc2s1 ZINC000271032824 511063182 /nfs/dbraw/zinc/06/31/82/511063182.db2.gz IVXJAUWDUXIHQW-UHFFFAOYSA-N 0 0 371.510 2.876 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCOC2(CCC2)C1 ZINC000289061127 511092971 /nfs/dbraw/zinc/09/29/71/511092971.db2.gz HURHHKIRASSFLU-KRWDZBQOSA-N 0 0 374.481 2.739 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N2C[C@@H](OC)Cc3ccccc32)cn1 ZINC000282773342 511106549 /nfs/dbraw/zinc/10/65/49/511106549.db2.gz VAUVKDSMYKIELF-INIZCTEOSA-N 0 0 365.437 2.521 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CCc1cccs1 ZINC000297919176 511109894 /nfs/dbraw/zinc/10/98/94/511109894.db2.gz TUSQLWPVNYNIRT-UHFFFAOYSA-N 0 0 373.522 2.864 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cncc(C(F)(F)F)c1 ZINC000289861357 511117533 /nfs/dbraw/zinc/11/75/33/511117533.db2.gz VXMXOEZPXQXYMI-UHFFFAOYSA-N 0 0 365.355 2.867 20 10 FFCDRN C[C@@H]1c2ccsc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271225256 511127955 /nfs/dbraw/zinc/12/79/55/511127955.db2.gz QSRUACHWZOYGFJ-SNVBAGLBSA-N 0 0 366.464 2.585 20 10 FFCDRN Cc1cc(=O)cc(C)n1CCCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000290117236 511128426 /nfs/dbraw/zinc/12/84/26/511128426.db2.gz JBGCFJOQCBQNQB-UHFFFAOYSA-N 0 0 367.493 2.944 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(SC)CCC1 ZINC000290244317 511131848 /nfs/dbraw/zinc/13/18/48/511131848.db2.gz ZAXKMHWHIRVVSD-UHFFFAOYSA-N 0 0 350.484 2.533 20 10 FFCDRN Cc1ncc2n1CC[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C2 ZINC000290761435 511150655 /nfs/dbraw/zinc/15/06/55/511150655.db2.gz KHEJHMLFXDSHKL-APWZRJJASA-N 0 0 369.465 2.667 20 10 FFCDRN COc1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c(OC)n1 ZINC000290846414 511151432 /nfs/dbraw/zinc/15/14/32/511151432.db2.gz CSGMKKKGMHSLBF-UHFFFAOYSA-N 0 0 358.442 2.506 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H](O)c1ccc(Cl)cc1 ZINC000291391007 511179039 /nfs/dbraw/zinc/17/90/39/511179039.db2.gz CNYWJIDGMWCGKM-IBGZPJMESA-N 0 0 374.868 2.869 20 10 FFCDRN COC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[C@@H]1CCCO1 ZINC000279787976 511215389 /nfs/dbraw/zinc/21/53/89/511215389.db2.gz VDHNBCHJCVLONE-MOPGFXCFSA-N 0 0 363.502 2.867 20 10 FFCDRN Cc1nn(C)c(C)c1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000271620323 511265139 /nfs/dbraw/zinc/26/51/39/511265139.db2.gz YIZJTWXLFJEOCW-INIZCTEOSA-N 0 0 358.442 2.956 20 10 FFCDRN NC(=O)c1ccc(CCC(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000295067706 511269577 /nfs/dbraw/zinc/26/95/77/511269577.db2.gz UPDSWPAZMRYWDO-UHFFFAOYSA-N 0 0 352.434 2.619 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000271707414 511294731 /nfs/dbraw/zinc/29/47/31/511294731.db2.gz NSTRHVRJDSLWFZ-UHFFFAOYSA-N 0 0 371.403 2.886 20 10 FFCDRN COC(=O)c1cnc(S[C@H](C(=O)NCc2ccco2)C(C)C)s1 ZINC000295154339 511301763 /nfs/dbraw/zinc/30/17/63/511301763.db2.gz FSFNCQVUUBCHIS-LBPRGKRZSA-N 0 0 354.453 2.956 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)c1ccccc1F ZINC000298563505 511330731 /nfs/dbraw/zinc/33/07/31/511330731.db2.gz BPAWUDYUZWJRLT-IBGZPJMESA-N 0 0 357.429 2.959 20 10 FFCDRN COc1ccc(O)c(CNc2ccc(OC)c(-n3nnnc3C3CC3)c2)c1 ZINC000271812944 511333744 /nfs/dbraw/zinc/33/37/44/511333744.db2.gz JMWUCADEWAXYSK-UHFFFAOYSA-N 0 0 367.409 2.875 20 10 FFCDRN COC(=O)N(C)CC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000298605517 511345446 /nfs/dbraw/zinc/34/54/46/511345446.db2.gz IBUDKEMHZGGXIT-UHFFFAOYSA-N 0 0 359.426 2.573 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](COC)[C@@H]1CCCO1 ZINC000283425493 511362758 /nfs/dbraw/zinc/36/27/58/511362758.db2.gz RYEHAFFRKBZBEY-AEFFLSMTSA-N 0 0 350.459 2.898 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)NCc2ccc(C)c(F)c2)s1 ZINC000295343572 511370544 /nfs/dbraw/zinc/37/05/44/511370544.db2.gz PZSGSXYXJUFSLQ-UHFFFAOYSA-N 0 0 354.428 2.786 20 10 FFCDRN C[C@@H]1OCC[C@]12CN(C(=O)NCc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC000280233515 511385543 /nfs/dbraw/zinc/38/55/43/511385543.db2.gz XTZFOIROFPVPSU-WWMYMODYSA-N 0 0 373.497 2.765 20 10 FFCDRN CN(C)C(=O)COc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000298719653 511386536 /nfs/dbraw/zinc/38/65/36/511386536.db2.gz UXVOVFPSJHSHIM-UHFFFAOYSA-N 0 0 357.410 2.523 20 10 FFCDRN COCCN(Cc1ccccn1)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC000298729380 511390623 /nfs/dbraw/zinc/39/06/23/511390623.db2.gz MPQGPICBXKWVKG-VQHVLOKHSA-N 0 0 371.393 2.829 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C(C)(C)c3c(C)noc3C)CC2)cc1 ZINC000280330717 511423672 /nfs/dbraw/zinc/42/36/72/511423672.db2.gz FRWMEEOQQJLQAC-UHFFFAOYSA-N 0 0 357.454 2.926 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N(C)Cc2ccc(Cl)cc2)cc1 ZINC000283592952 511427394 /nfs/dbraw/zinc/42/73/94/511427394.db2.gz UDRILNMDWLLVEK-UHFFFAOYSA-N 0 0 359.857 2.681 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)n1cccn1 ZINC000298880030 511440582 /nfs/dbraw/zinc/44/05/82/511440582.db2.gz ZMPPWUIWIIGIEK-KFWWJZLASA-N 0 0 360.433 2.513 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000295635617 511467228 /nfs/dbraw/zinc/46/72/28/511467228.db2.gz CECKVJVTXVXRPU-FQEVSTJZSA-N 0 0 359.397 2.694 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(C(=O)NCC)C1 ZINC000283736217 511481799 /nfs/dbraw/zinc/48/17/99/511481799.db2.gz WVDLMLBYTPTVFG-MRXNPFEDSA-N 0 0 362.474 2.508 20 10 FFCDRN CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272391733 511493252 /nfs/dbraw/zinc/49/32/52/511493252.db2.gz GXYGEEFLVCOIGI-IZPAUZPXSA-N 0 0 362.426 2.579 20 10 FFCDRN CN(c1ccc(CN2C(=O)[C@@H]3COCCN3C2=O)cc1)C1CCCCC1 ZINC000272416996 511493550 /nfs/dbraw/zinc/49/35/50/511493550.db2.gz LZBIJTWTIODEGX-SFHVURJKSA-N 0 0 357.454 2.619 20 10 FFCDRN C[C@H]1C[C@H](CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000273148360 511519106 /nfs/dbraw/zinc/51/91/06/511519106.db2.gz LLLNFIMXBFNDMS-DLBZAZTESA-N 0 0 361.486 2.528 20 10 FFCDRN COC(=O)c1cnc(SC[C@@H](O)COc2ccc(C(C)=O)cc2)s1 ZINC000295815660 511523274 /nfs/dbraw/zinc/52/32/74/511523274.db2.gz BUGZPBULJZTXHK-LBPRGKRZSA-N 0 0 367.448 2.664 20 10 FFCDRN C[C@@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273524513 511530240 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COC(=O)c1cnc(SC[C@H](O)COCc2ccccc2OC)s1 ZINC000296111733 511624347 /nfs/dbraw/zinc/62/43/47/511624347.db2.gz LAGBBBHSASIAHU-GFCCVEGCSA-N 0 0 369.464 2.608 20 10 FFCDRN COc1cc([C@H](C)NC(=O)NCc2ccccc2O)cc(OC)c1OC ZINC000299540577 511662462 /nfs/dbraw/zinc/66/24/62/511662462.db2.gz VIFWQWBOMUQCSD-LBPRGKRZSA-N 0 0 360.410 2.978 20 10 FFCDRN CC(C)NC(=O)Nc1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000299545018 511662542 /nfs/dbraw/zinc/66/25/42/511662542.db2.gz WKEHEQXUFWLHCA-UHFFFAOYSA-N 0 0 356.426 2.922 20 10 FFCDRN Cc1nnc([C@@H](C)NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)s1 ZINC000273971997 511675365 /nfs/dbraw/zinc/67/53/65/511675365.db2.gz MQEMXZQRMVDUAX-OQHXTRMZSA-N 0 0 358.467 2.574 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc([C@@H](C)O)cc1 ZINC000284314888 511680656 /nfs/dbraw/zinc/68/06/56/511680656.db2.gz CIRYHFUOCGMJJT-OAHLLOKOSA-N 0 0 370.449 2.501 20 10 FFCDRN COC(=O)C=Cc1ccc(N2CCC[C@@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000301102328 511687742 /nfs/dbraw/zinc/68/77/42/511687742.db2.gz 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/nfs/dbraw/zinc/80/81/88/728808188.db2.gz PKHMDBRMHILKBV-ZDUSSCGKSA-N 0 0 365.528 2.633 20 10 FFCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1cccc(S(C)(=O)=O)c1 ZINC000155184348 728822357 /nfs/dbraw/zinc/82/23/57/728822357.db2.gz FEPRMGKXMRNWIA-VQHVLOKHSA-N 0 0 350.827 2.815 20 10 FFCDRN O=C(Cc1csc(-c2cccnc2)n1)NCCc1ccc(O)c(O)c1 ZINC000156614943 728855378 /nfs/dbraw/zinc/85/53/78/728855378.db2.gz MSNADIZXUYXJQT-UHFFFAOYSA-N 0 0 355.419 2.518 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000161162472 728929695 /nfs/dbraw/zinc/92/96/95/728929695.db2.gz QUMUTDPEHBNMLG-MRVPVSSYSA-N 0 0 361.341 2.858 20 10 FFCDRN O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cccc(Cl)c3[O-])C2)c1Cl ZINC000898368114 735348592 /nfs/dbraw/zinc/34/85/92/735348592.db2.gz WWSQHHHKRAMEBO-JTQLQIEISA-N 0 0 355.225 2.563 20 10 FFCDRN COc1ccc2c(c1)CCCN2CCOc1ccc(S(C)(=O)=O)cc1 ZINC000744384564 735352447 /nfs/dbraw/zinc/35/24/47/735352447.db2.gz LYRWCQHUGKBGRY-UHFFFAOYSA-N 0 0 361.463 2.930 20 10 FFCDRN COc1cc(Br)c(/C=C2\SC(=S)N(C)C2=O)cc1O ZINC000015497233 727820344 /nfs/dbraw/zinc/82/03/44/727820344.db2.gz GOEJQESIGFPHDN-WMZJFQQLSA-N 0 0 360.254 2.994 20 10 FFCDRN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000023397949 727845648 /nfs/dbraw/zinc/84/56/48/727845648.db2.gz JCAORBSQHNFPNX-UHFFFAOYSA-N 0 0 360.844 2.512 20 10 FFCDRN CCc1ccc(CNC(=O)CN2CCOc3cc(N(C)C)ccc32)s1 ZINC000746492978 735488210 /nfs/dbraw/zinc/48/82/10/735488210.db2.gz OQOPJONARLIXCW-UHFFFAOYSA-N 0 0 359.495 2.892 20 10 FFCDRN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000063849059 728139018 /nfs/dbraw/zinc/13/90/18/728139018.db2.gz JVIKFJVGBNBDIL-UHFFFAOYSA-N 0 0 354.453 2.639 20 10 FFCDRN C[C@@H](NC(=O)CCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000065561339 728157783 /nfs/dbraw/zinc/15/77/83/728157783.db2.gz PBIUVHUYFVVOKC-CYBMUJFWSA-N 0 0 360.376 2.669 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3cccc(C)c3)CC2)cc1F ZINC000084952098 728428138 /nfs/dbraw/zinc/42/81/38/728428138.db2.gz OHJQNVRFFXQERL-UHFFFAOYSA-N 0 0 364.442 2.654 20 10 FFCDRN C[C@@H](c1ccccc1F)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000093928702 728478885 /nfs/dbraw/zinc/47/88/85/728478885.db2.gz YOSDWGRWMUTOQR-NSHDSACASA-N 0 0 366.414 2.736 20 10 FFCDRN C[C@H](c1cccs1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094016180 728479156 /nfs/dbraw/zinc/47/91/56/728479156.db2.gz RRCWAWBKPZSDLU-SNVBAGLBSA-N 0 0 354.453 2.658 20 10 FFCDRN C[C@@H](c1cccs1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094016179 728479221 /nfs/dbraw/zinc/47/92/21/728479221.db2.gz RRCWAWBKPZSDLU-JTQLQIEISA-N 0 0 354.453 2.658 20 10 FFCDRN CC[C@@H](C)[C@](C)(O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000112441801 728545438 /nfs/dbraw/zinc/54/54/38/728545438.db2.gz RTOBOMWBRLZFPZ-DNVCBOLYSA-N 0 0 365.543 2.836 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cccnc2OCC(F)(F)F)c1 ZINC000114544093 728561149 /nfs/dbraw/zinc/56/11/49/728561149.db2.gz HOQMCQURVTZWCM-UHFFFAOYSA-N 0 0 356.300 2.667 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000115752180 728567227 /nfs/dbraw/zinc/56/72/27/728567227.db2.gz FVCSQDXVOACOTO-UHFFFAOYSA-N 0 0 361.467 2.786 20 10 FFCDRN O=C(CN1CCN(Cc2c(O)cccc2Cl)CC1)N1CCCCCC1 ZINC000121675529 728635381 /nfs/dbraw/zinc/63/53/81/728635381.db2.gz BJOOZJAPIPAVJY-UHFFFAOYSA-N 0 0 365.905 2.566 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccn(-c2ccccc2Cl)n1 ZINC000122854834 728652486 /nfs/dbraw/zinc/65/24/86/728652486.db2.gz FPMBOIQAFVZKIO-UHFFFAOYSA-N 0 0 357.797 2.909 20 10 FFCDRN CN(C)c1ccc(CN2CCN(CC(F)(F)C(F)F)CC2)cc1F ZINC000126463639 728703106 /nfs/dbraw/zinc/70/31/06/728703106.db2.gz INYDNGPEJUUEIS-UHFFFAOYSA-N 0 0 351.363 2.910 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cnc1Cl ZINC000128647511 728709207 /nfs/dbraw/zinc/70/92/07/728709207.db2.gz KBCUTSLVNBDYRT-UHFFFAOYSA-N 0 0 364.808 2.503 20 10 FFCDRN O=C(CC1CCSCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000134507994 728730589 /nfs/dbraw/zinc/73/05/89/728730589.db2.gz KUQMWXFZAYWQOT-UHFFFAOYSA-N 0 0 352.475 2.812 20 10 FFCDRN CC(=O)N[C@@H]1CCCN(C(=O)CSc2ncc(C(C)(C)C)s2)C1 ZINC000163988987 728963071 /nfs/dbraw/zinc/96/30/71/728963071.db2.gz KYUFUWSLZMWEQZ-GFCCVEGCSA-N 0 0 355.529 2.660 20 10 FFCDRN CCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000170760153 728988868 /nfs/dbraw/zinc/98/88/68/728988868.db2.gz RHKVFBMLKHWLDD-KRWDZBQOSA-N 0 0 363.527 2.851 20 10 FFCDRN Cc1nc(CSc2ccccc2C(=O)N2CCS(=O)CC2)cs1 ZINC000171658930 729010186 /nfs/dbraw/zinc/01/01/86/729010186.db2.gz ALPPZYROHMXQOB-UHFFFAOYSA-N 0 0 366.533 2.948 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000175978626 729105323 /nfs/dbraw/zinc/10/53/23/729105323.db2.gz IRKMBJZBMNCEQW-INIZCTEOSA-N 0 0 359.392 2.742 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1[O-] ZINC000177163598 729130179 /nfs/dbraw/zinc/13/01/79/729130179.db2.gz XVLWBNVEYLDRGN-OAHLLOKOSA-N 0 0 366.889 2.792 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1nc2c(s1)COCC2 ZINC000177283170 729133571 /nfs/dbraw/zinc/13/35/71/729133571.db2.gz ZZFLXBAJMSCACU-UHFFFAOYSA-N 0 0 356.498 2.976 20 10 FFCDRN Cc1ccc(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)c(O)c1O ZINC000177685866 729142988 /nfs/dbraw/zinc/14/29/88/729142988.db2.gz GUWLWKALDXMNHR-AWEZNQCLSA-N 0 0 350.365 2.717 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)c1 ZINC000180035057 729201421 /nfs/dbraw/zinc/20/14/21/729201421.db2.gz IYPKYBDFBMHYRF-UHFFFAOYSA-N 0 0 370.739 2.587 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cc2c(c(Br)c1)OCO2 ZINC000778916624 738420990 /nfs/dbraw/zinc/42/09/90/738420990.db2.gz NCJGZNKIJGOVCD-UHFFFAOYSA-N 0 0 366.167 2.519 20 10 FFCDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCCCSc1nccs1 ZINC000187554416 729378336 /nfs/dbraw/zinc/37/83/36/729378336.db2.gz YRMFHJSQKFKBNQ-SECBINFHSA-N 0 0 357.423 2.580 20 10 FFCDRN CN(C)c1ccc(CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)cc1 ZINC000191554761 729417867 /nfs/dbraw/zinc/41/78/67/729417867.db2.gz KAVFYACHXJMRIU-UHFFFAOYSA-N 0 0 359.495 2.566 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)C2=Cc3ccccc3OC2)cc1F ZINC000191918292 729420424 /nfs/dbraw/zinc/42/04/24/729420424.db2.gz MUNHMKRRESUMLZ-UHFFFAOYSA-N 0 0 362.426 2.745 20 10 FFCDRN COc1ccc(N(C)CCN(Cc2ccccc2)S(C)(=O)=O)cc1F ZINC000192069602 729421345 /nfs/dbraw/zinc/42/13/45/729421345.db2.gz GGPOJUBSXFFSRI-UHFFFAOYSA-N 0 0 366.458 2.732 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)cc1F ZINC000194627417 729515966 /nfs/dbraw/zinc/51/59/66/729515966.db2.gz NYTMPMNIOBLIKI-UHFFFAOYSA-N 0 0 364.442 2.695 20 10 FFCDRN Cc1cc(Br)cc([C@H](C)NCc2nnnn2CC2CC2)c1O ZINC000779050529 738432117 /nfs/dbraw/zinc/43/21/17/738432117.db2.gz BRWXRBAMADYLHN-JTQLQIEISA-N 0 0 366.263 2.710 20 10 FFCDRN C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)Cc1ccccc1O ZINC000779390281 738461476 /nfs/dbraw/zinc/46/14/76/738461476.db2.gz SGZDTQHUQCJBFI-ZDUSSCGKSA-N 0 0 351.447 2.837 20 10 FFCDRN O=C(Cc1ccncc1Cl)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856214872 730316369 /nfs/dbraw/zinc/31/63/69/730316369.db2.gz FHMYQQNFFRKCNK-UHFFFAOYSA-N 0 0 359.857 2.555 20 10 FFCDRN C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCCC1 ZINC000856228374 730318080 /nfs/dbraw/zinc/31/80/80/730318080.db2.gz XURCSZHJSWVEGD-GFCCVEGCSA-N 0 0 354.472 2.710 20 10 FFCDRN C[C@@H]1[C@@H](C)N(C(=O)C2=CC(=O)CS2)CCN1C(=O)C1=CC(=O)CS1 ZINC000856338198 730327047 /nfs/dbraw/zinc/32/70/47/730327047.db2.gz BFLPXRXNLJRBMU-NXEZZACHSA-N 0 0 366.464 2.596 20 10 FFCDRN COC(=O)CN(Cc1cn(C)nc1Cl)Cc1cc(Cl)ccc1O ZINC000857019916 730373247 /nfs/dbraw/zinc/37/32/47/730373247.db2.gz OJIOINLHHBZTMD-UHFFFAOYSA-N 0 0 358.225 2.608 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c(Cl)nn(C)c3Cl)CC2)cc1 ZINC000858128233 730417315 /nfs/dbraw/zinc/41/73/15/730417315.db2.gz FVUNVXNVTAQWCP-UHFFFAOYSA-N 0 0 369.252 2.698 20 10 FFCDRN CNS(=O)(=O)c1cc(NCc2cc(F)c(N(C)C)cc2F)ccc1F ZINC000858176444 730418761 /nfs/dbraw/zinc/41/87/61/730418761.db2.gz XSTHVQYQYQBHCT-UHFFFAOYSA-N 0 0 373.400 2.690 20 10 FFCDRN C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000858468965 730426623 /nfs/dbraw/zinc/42/66/23/730426623.db2.gz NWENTBRTRGPVIC-MFKMUULPSA-N 0 0 360.285 2.689 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Br)cc(Cl)c1[O-] ZINC000858553610 730428707 /nfs/dbraw/zinc/42/87/07/730428707.db2.gz RAQOVGNEQZLOEK-UPZJHPNMSA-N 0 0 350.640 2.609 20 10 FFCDRN Cc1cc(CNS(=O)(=O)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000859362589 730452012 /nfs/dbraw/zinc/45/20/12/730452012.db2.gz DHJHFDFVCHQQKN-UHFFFAOYSA-N 0 0 358.467 2.615 20 10 FFCDRN Cc1cc(CNS(=O)(=O)c2cn(C)nc2C)c(C)n1-c1ccccc1 ZINC000859362593 730452019 /nfs/dbraw/zinc/45/20/19/730452019.db2.gz DKVWTKMBELKBMG-UHFFFAOYSA-N 0 0 358.467 2.615 20 10 FFCDRN CSC[C@](C)(O)CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000859508251 730456838 /nfs/dbraw/zinc/45/68/38/730456838.db2.gz WZCDVTNVLHRFTI-LJQANCHMSA-N 0 0 360.479 2.750 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1CCCN1c1nccs1 ZINC000862026956 730662274 /nfs/dbraw/zinc/66/22/74/730662274.db2.gz FGVNPJUSUVNDGP-CQSZACIVSA-N 0 0 354.435 2.682 20 10 FFCDRN COC(=O)[C@H](NCc1cc(F)c(N(C)C)cc1F)c1cccc(O)c1 ZINC000862340358 730690183 /nfs/dbraw/zinc/69/01/83/730690183.db2.gz HECZRLOKUXRPQY-QGZVFWFLSA-N 0 0 350.365 2.740 20 10 FFCDRN CCOCc1nc([C@@H](C)NCc2c(O)cccc2Br)no1 ZINC000862370668 730693225 /nfs/dbraw/zinc/69/32/25/730693225.db2.gz PZIWGMAYJMRUBD-SECBINFHSA-N 0 0 356.220 2.925 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC(C2CCC2)C2CCC2)c1 ZINC000862399460 730697402 /nfs/dbraw/zinc/69/74/02/730697402.db2.gz SGYCZJMWJFYVJN-UHFFFAOYSA-N 0 0 366.483 2.710 20 10 FFCDRN CCOC(=O)[C@H](NCc1cc(F)ccc1O)[C@@H](O)c1ccc(Cl)cc1 ZINC000862427769 730701332 /nfs/dbraw/zinc/70/13/32/730701332.db2.gz GGLJQVDYECMQAY-SJORKVTESA-N 0 0 367.804 2.940 20 10 FFCDRN CN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(Cl)ccc1O ZINC000862544029 730708385 /nfs/dbraw/zinc/70/83/85/730708385.db2.gz RSIIRXQOOQDNTQ-UHFFFAOYSA-N 0 0 362.813 2.887 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)c1 ZINC000862758452 730723761 /nfs/dbraw/zinc/72/37/61/730723761.db2.gz ZPTWMLPCHBBVDK-CYBMUJFWSA-N 0 0 365.426 2.566 20 10 FFCDRN Cc1cc(CNC(=O)CCCS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000863161620 730753143 /nfs/dbraw/zinc/75/31/43/730753143.db2.gz RLRHTEKYRRMTGV-UHFFFAOYSA-N 0 0 362.495 2.844 20 10 FFCDRN Cc1cc(CC(=O)N[C@@H]2CCOC[C@H]2O)c(C)n1-c1ccc(Cl)cc1 ZINC000863363096 730772484 /nfs/dbraw/zinc/77/24/84/730772484.db2.gz IHICXPBVYZLION-QZTJIDSGSA-N 0 0 362.857 2.556 20 10 FFCDRN O=C([O-])[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000864516592 730855818 /nfs/dbraw/zinc/85/58/18/730855818.db2.gz LCYFCVGPPFEUAY-WBVHZDCISA-N 0 0 350.434 2.785 20 10 FFCDRN COc1ccc(N2CCN(c3ccnc(-c4nccs4)n3)CC2)cc1 ZINC000865402995 730950635 /nfs/dbraw/zinc/95/06/35/730950635.db2.gz LBAGAJACVLBMPS-UHFFFAOYSA-N 0 0 353.451 2.935 20 10 FFCDRN COC(=O)c1coc(/C=C\C(=O)NCCCSc2nccs2)c1 ZINC000865784024 730997288 /nfs/dbraw/zinc/99/72/88/730997288.db2.gz VHBNJIMUQOQTBO-ARJAWSKDSA-N 0 0 352.437 2.835 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)Cc2ccc(F)cc2F)cc1F ZINC000779886999 738493966 /nfs/dbraw/zinc/49/39/66/738493966.db2.gz FIOVAARIAUJXCP-UHFFFAOYSA-N 0 0 358.385 2.790 20 10 FFCDRN CC[C@H]([NH2+]CCCS(=O)(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000866458903 731062720 /nfs/dbraw/zinc/06/27/20/731062720.db2.gz RRDQFBAVLXSQJR-LBPRGKRZSA-N 0 0 355.287 2.679 20 10 FFCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1c[nH]nc1C(F)(F)F ZINC000866485103 731065623 /nfs/dbraw/zinc/06/56/23/731065623.db2.gz FLPFYIYZCZPYQB-UHFFFAOYSA-N 0 0 374.388 2.507 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cc1[O-] ZINC000866491995 731066337 /nfs/dbraw/zinc/06/63/37/731066337.db2.gz BQCGLLGGDRUAAN-PJODQICGSA-N 0 0 354.422 2.552 20 10 FFCDRN CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836061 731232424 /nfs/dbraw/zinc/23/24/24/731232424.db2.gz CPZRFDDYDCQZCY-BBRMVZONSA-N 0 0 367.442 2.769 20 10 FFCDRN COCCOc1ccc(F)cc1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836021 731232440 /nfs/dbraw/zinc/23/24/40/731232440.db2.gz AYVYYZRESGLUKZ-LBPRGKRZSA-N 0 0 369.414 2.596 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)CCc3cn[nH]n3)cc2Cl)C1 ZINC000868064583 731255985 /nfs/dbraw/zinc/25/59/85/731255985.db2.gz CILQUNNDCHNILP-ZDUSSCGKSA-N 0 0 361.877 2.943 20 10 FFCDRN C[C@@H](NC(=O)NCc1nc(CN(C)C)cs1)c1ccc(N(C)C)cc1 ZINC000922054802 738084466 /nfs/dbraw/zinc/08/44/66/738084466.db2.gz LRNYFQCAZBAIHR-CYBMUJFWSA-N 0 0 361.515 2.831 20 10 FFCDRN COC(=O)CC[C@@H]1CCCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])C1 ZINC000872748772 731825757 /nfs/dbraw/zinc/82/57/57/731825757.db2.gz WTZXYCSNYKBKIL-LBPRGKRZSA-N 0 0 352.387 2.782 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1COC[C@H]1C ZINC000926003915 738556348 /nfs/dbraw/zinc/55/63/48/738556348.db2.gz OQWWNEXODNNCRI-MFKMUULPSA-N 0 0 357.248 2.721 20 10 FFCDRN CCC[C@H](CCO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000875102761 732128334 /nfs/dbraw/zinc/12/83/34/732128334.db2.gz TZCMKPYEUQXGNB-MRXNPFEDSA-N 0 0 351.516 2.590 20 10 FFCDRN CC1(C)[C@H]2[C@H](CCCN2C(=O)NCCCSc2nccs2)[C@@H]1O ZINC000875375143 732149271 /nfs/dbraw/zinc/14/92/71/732149271.db2.gz XASVZAQPTHOAOG-XQQFMLRXSA-N 0 0 355.529 2.816 20 10 FFCDRN Cc1ccc(C(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)c(O)c1O ZINC000780967230 738591069 /nfs/dbraw/zinc/59/10/69/738591069.db2.gz DXEZVNIDASTZEQ-CYBMUJFWSA-N 0 0 355.312 2.888 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ncc(C)cc1C ZINC000781011910 738593665 /nfs/dbraw/zinc/59/36/65/738593665.db2.gz DJIKOPBUZMPSKC-UHFFFAOYSA-N 0 0 362.813 2.873 20 10 FFCDRN COc1ccc(NCc2c(C)cccc2O)cc1S(=O)(=O)NC1CC1 ZINC000877514485 732377675 /nfs/dbraw/zinc/37/76/75/732377675.db2.gz PMWOFCIEYBBUFW-UHFFFAOYSA-N 0 0 362.451 2.762 20 10 FFCDRN CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000877524251 732380338 /nfs/dbraw/zinc/38/03/38/732380338.db2.gz SWXOQZPIOXUKCU-DTWKUNHWSA-N 0 0 370.425 2.837 20 10 FFCDRN CCc1nccn1Cc1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999481 733002548 /nfs/dbraw/zinc/00/25/48/733002548.db2.gz NMVGXCYNEWMCBT-UHFFFAOYSA-N 0 0 359.817 2.695 20 10 FFCDRN CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000881758568 733101598 /nfs/dbraw/zinc/10/15/98/733101598.db2.gz OBYJIXYTFDTCLC-UHFFFAOYSA-N 0 0 364.442 2.915 20 10 FFCDRN C[C@H](NS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccccc1O ZINC000882502434 733235967 /nfs/dbraw/zinc/23/59/67/733235967.db2.gz JNWDJLFKLVHNJJ-YTEVENLXSA-N 0 0 360.501 2.718 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)cc(F)c1[O-] ZINC000927142486 738695833 /nfs/dbraw/zinc/69/58/33/738695833.db2.gz CLUCDIDFQGESKH-SCZZXKLOSA-N 0 0 369.238 2.630 20 10 FFCDRN C[S@@](=O)(=NS(=O)(=O)Nc1ccc(O)c(F)c1F)C1CCCCC1 ZINC000882737597 733284238 /nfs/dbraw/zinc/28/42/38/733284238.db2.gz QDSHPALRYGKKGP-QFIPXVFZSA-N 0 0 368.427 2.758 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CN(C)CCO1 ZINC000883051438 733326285 /nfs/dbraw/zinc/32/62/85/733326285.db2.gz BKRVFMHHUINEHS-TVQRCGJNSA-N 0 0 363.683 2.617 20 10 FFCDRN CC(C)(C)N1CC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1=O ZINC000883152421 733343056 /nfs/dbraw/zinc/34/30/56/733343056.db2.gz UZCMSERQTAEGEF-GFCCVEGCSA-N 0 0 359.239 2.783 20 10 FFCDRN Cn1nnc2c1CC[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC000883161856 733344676 /nfs/dbraw/zinc/34/46/76/733344676.db2.gz CQDUBQFQRMQVIE-SNVBAGLBSA-N 0 0 371.666 2.584 20 10 FFCDRN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883204100 733350559 /nfs/dbraw/zinc/35/05/59/733350559.db2.gz SFDARXUJWZGOGO-BMLIUANNSA-N 0 0 353.365 2.899 20 10 FFCDRN CS(=O)(=O)c1cccnc1CNC(=S)Nc1ccc(F)c(Cl)c1 ZINC000782426620 738720478 /nfs/dbraw/zinc/72/04/78/738720478.db2.gz AAYHAUSUOVNFRO-UHFFFAOYSA-N 0 0 373.862 2.764 20 10 FFCDRN O=C(COC(=O)c1cc2c(c(Cl)c1)OCO2)c1ccc(O)c(O)c1 ZINC000782508405 738728797 /nfs/dbraw/zinc/72/87/97/738728797.db2.gz WSOFSLXAOPDVIK-UHFFFAOYSA-N 0 0 350.710 2.520 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)[C@H](C)O1 ZINC000782560418 738734215 /nfs/dbraw/zinc/73/42/15/738734215.db2.gz KQAZDGUQUJVJOD-OAGGEKHMSA-N 0 0 363.527 2.947 20 10 FFCDRN CCc1nc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)cs1 ZINC000886325869 733773560 /nfs/dbraw/zinc/77/35/60/733773560.db2.gz SYBXYGCUAYTGRU-UHFFFAOYSA-N 0 0 358.511 2.697 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CSc1nnc2ccccn21 ZINC000782712702 738750837 /nfs/dbraw/zinc/75/08/37/738750837.db2.gz VPVGCBQAVVCZCX-UHFFFAOYSA-N 0 0 355.467 2.512 20 10 FFCDRN C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1c([O-])cccc1F ZINC000886500157 733798759 /nfs/dbraw/zinc/79/87/59/733798759.db2.gz IODIIRXSVILISO-LBPRGKRZSA-N 0 0 352.431 2.632 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@H](O)Cc1ccc(F)cc1 ZINC000888565250 734072321 /nfs/dbraw/zinc/07/23/21/734072321.db2.gz BZIARVNSFIGUDZ-AWEZNQCLSA-N 0 0 369.487 2.667 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCCN1C(=O)c1ccccc1 ZINC000890758214 734336750 /nfs/dbraw/zinc/33/67/50/734336750.db2.gz RZCBTNZFUBAXBH-MRXNPFEDSA-N 0 0 358.825 2.967 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1cccc(CN2CCOCC2)c1 ZINC000890758324 734336825 /nfs/dbraw/zinc/33/68/25/734336825.db2.gz VOLQTKZNACAHON-UHFFFAOYSA-N 0 0 360.841 2.808 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)C1=CC(=O)CS1 ZINC000890819128 734342857 /nfs/dbraw/zinc/34/28/57/734342857.db2.gz PHRZHCMSYANFKL-PIGZYNQJSA-N 0 0 352.456 2.973 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])C(=O)N1CCCC1 ZINC000708057605 734362545 /nfs/dbraw/zinc/36/25/45/734362545.db2.gz WEVROVBUDSTUKL-VIFPVBQESA-N 0 0 361.667 2.909 20 10 FFCDRN COC[C@@H](CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-])OC ZINC000708158180 734362570 /nfs/dbraw/zinc/36/25/70/734362570.db2.gz PPYBUMCNGBSGPY-LLVKDONJSA-N 0 0 352.656 2.949 20 10 FFCDRN NC(=O)c1ccc(NC(=S)NNc2ccc(OC(F)(F)F)cc2)cc1 ZINC000726450231 734425453 /nfs/dbraw/zinc/42/54/53/734425453.db2.gz NLBWWRYQQMUHBX-UHFFFAOYSA-N 0 0 370.356 2.998 20 10 FFCDRN Cc1cnn(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)c1 ZINC000728838023 734545467 /nfs/dbraw/zinc/54/54/67/734545467.db2.gz AVCSWARWJOWRFB-UHFFFAOYSA-N 0 0 354.376 2.849 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccccc2S(C)(=O)=O)c1 ZINC000729033525 734555871 /nfs/dbraw/zinc/55/58/71/734555871.db2.gz NFAUBWGGOCKRBN-LLVKDONJSA-N 0 0 364.423 2.687 20 10 FFCDRN COc1cccc(CNC(=O)CCCN(C)C(=O)OC(C)(C)C)c1O ZINC000729858553 734600016 /nfs/dbraw/zinc/60/00/16/734600016.db2.gz FCNBFMLADRPOKZ-UHFFFAOYSA-N 0 0 352.431 2.664 20 10 FFCDRN COC(=O)CSCCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000730775260 734649092 /nfs/dbraw/zinc/64/90/92/734649092.db2.gz QYACIIJVSJTDPT-UHFFFAOYSA-N 0 0 350.484 2.589 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CNC(=O)c2cccs2)cc1F ZINC000731374627 734676084 /nfs/dbraw/zinc/67/60/84/734676084.db2.gz YDZQEDRRANJONU-UHFFFAOYSA-N 0 0 363.458 2.780 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCCCS(=O)(=O)N(C)C)cc1 ZINC000731917936 734705653 /nfs/dbraw/zinc/70/56/53/734705653.db2.gz SMTWHSWEDSWZGF-UHFFFAOYSA-N 0 0 364.467 2.532 20 10 FFCDRN CCN(CC(=O)NCC(=O)c1cccs1)c1ccc(OC)c(OC)c1 ZINC000732198445 734722751 /nfs/dbraw/zinc/72/27/51/734722751.db2.gz RDFYBRJHVMMLPJ-UHFFFAOYSA-N 0 0 362.451 2.591 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000732284162 734730370 /nfs/dbraw/zinc/73/03/70/734730370.db2.gz MFWWRYXRYLCDLP-UHFFFAOYSA-N 0 0 368.817 2.844 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCC(n2cc(Br)cn2)CC1 ZINC000732291265 734730995 /nfs/dbraw/zinc/73/09/95/734730995.db2.gz SOESSHULHRIVQZ-UHFFFAOYSA-N 0 0 356.245 2.890 20 10 FFCDRN Cc1ccncc1/C=C\C(=O)N1CCCc2ccc(S(C)(=O)=O)cc21 ZINC000783954574 738851126 /nfs/dbraw/zinc/85/11/26/738851126.db2.gz SIVBGJNGSPCJMT-VURMDHGXSA-N 0 0 356.447 2.786 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000733876653 734855300 /nfs/dbraw/zinc/85/53/00/734855300.db2.gz BHPBOFBLTXVRLA-INIZCTEOSA-N 0 0 360.479 2.710 20 10 FFCDRN O=S(=O)(NCCCSc1nccs1)c1cc(F)ccc1F ZINC000733899053 734857091 /nfs/dbraw/zinc/85/70/91/734857091.db2.gz BZJHOTZHFNIYML-UHFFFAOYSA-N 0 0 350.437 2.882 20 10 FFCDRN COC(=O)COc1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000733972527 734864433 /nfs/dbraw/zinc/86/44/33/734864433.db2.gz SJGAPLBVLXCSPN-UHFFFAOYSA-N 0 0 366.464 2.607 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cnc(-c2ncccn2)s1 ZINC000733972154 734864608 /nfs/dbraw/zinc/86/46/08/734864608.db2.gz AQNFQCDNXMSCCK-UHFFFAOYSA-N 0 0 363.493 2.969 20 10 FFCDRN COC(=O)COc1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000733973839 734865073 /nfs/dbraw/zinc/86/50/73/734865073.db2.gz BOHXXHHLAZHEAY-UHFFFAOYSA-N 0 0 366.464 2.607 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cn(-c3ccc(Cl)cc3)nn2)c1 ZINC000734016612 734867861 /nfs/dbraw/zinc/86/78/61/734867861.db2.gz VMDJETFBZGIPAB-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cnnn2-c2ccccc2Cl)c1 ZINC000734017557 734867952 /nfs/dbraw/zinc/86/79/52/734867952.db2.gz NINUXVJOFINDIB-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000734151644 734877537 /nfs/dbraw/zinc/87/75/37/734877537.db2.gz XZVPFIYVVLNVSV-UHFFFAOYSA-N 0 0 358.467 2.888 20 10 FFCDRN Fc1cc(CNCc2nnc(C3CC3)s2)cc(F)c1N1CCOCC1 ZINC000894843296 734926195 /nfs/dbraw/zinc/92/61/95/734926195.db2.gz KFXQUKOLIDFUMC-UHFFFAOYSA-N 0 0 366.437 2.820 20 10 FFCDRN COc1cc(C)cc(CNc2cc(S(=O)(=O)N(C)C)ccc2C)c1O ZINC000895150270 734969109 /nfs/dbraw/zinc/96/91/09/734969109.db2.gz JFTGLCUTHSPVPW-UHFFFAOYSA-N 0 0 364.467 2.880 20 10 FFCDRN Cc1nc(C)c(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000895495246 735015595 /nfs/dbraw/zinc/01/55/95/735015595.db2.gz PDKUPPXSNSHFHR-UHFFFAOYSA-N 0 0 359.495 2.798 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cncc(F)c1Cl ZINC000895785329 735055253 /nfs/dbraw/zinc/05/52/53/735055253.db2.gz LFVBCWBAHKXGIJ-UHFFFAOYSA-N 0 0 367.783 2.780 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NC[C@](C)(O)c3cccs3)ccc21 ZINC000740475564 735076077 /nfs/dbraw/zinc/07/60/77/735076077.db2.gz YSPSKOUBGPIIPU-IBGZPJMESA-N 0 0 359.495 2.837 20 10 FFCDRN CCN(CC)C(=O)[C@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896430496 735159287 /nfs/dbraw/zinc/15/92/87/735159287.db2.gz XTRZJJDYWYJVQE-GFCCVEGCSA-N 0 0 362.451 2.786 20 10 FFCDRN COc1cc(N(C)CC(=O)NC2CCCCCC2)cc(OC)c1OC ZINC000741799313 735162688 /nfs/dbraw/zinc/16/26/88/735162688.db2.gz YLUNARMWCHXWFR-UHFFFAOYSA-N 0 0 350.459 2.988 20 10 FFCDRN Cc1ncc(Cl)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000741912521 735169829 /nfs/dbraw/zinc/16/98/29/735169829.db2.gz WVBARGXXEONBFY-LBPRGKRZSA-N 0 0 360.845 2.766 20 10 FFCDRN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1C(=O)OC(C)(C)C ZINC000742159554 735207607 /nfs/dbraw/zinc/20/76/07/735207607.db2.gz SUPDKJXYACHOII-GFCCVEGCSA-N 0 0 350.415 2.562 20 10 FFCDRN C/C(=C/C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)(C)C ZINC000742561872 735242706 /nfs/dbraw/zinc/24/27/06/735242706.db2.gz YLJQUKSVFDMYMJ-SQFISAMPSA-N 0 0 364.511 2.530 20 10 FFCDRN CCOC(=O)N(C)CCCC(=O)NCc1cccc(Br)c1O ZINC000897575960 735250573 /nfs/dbraw/zinc/25/05/73/735250573.db2.gz AIVGFGBSQBRZEV-UHFFFAOYSA-N 0 0 373.247 2.639 20 10 FFCDRN COC[C@@H](C)NC(=S)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743016185 735270129 /nfs/dbraw/zinc/27/01/29/735270129.db2.gz UAWYFNDMDHQHQJ-OLZOCXBDSA-N 0 0 373.469 2.756 20 10 FFCDRN O=C1[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCN1C1CCOCC1 ZINC000747623510 735575126 /nfs/dbraw/zinc/57/51/26/735575126.db2.gz DTCQDMGFUMPXRY-AWEZNQCLSA-N 0 0 359.253 2.569 20 10 FFCDRN Nc1ccc(OCc2cn(C[C@H]3CCC[C@@H](C(F)(F)F)O3)nn2)cc1 ZINC000900635072 735672163 /nfs/dbraw/zinc/67/21/63/735672163.db2.gz JPFHKUJJJVWDHT-CABCVRRESA-N 0 0 356.348 2.939 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc(Br)ccn2)c1O ZINC000788022764 739198381 /nfs/dbraw/zinc/19/83/81/739198381.db2.gz HLUNHUBZVLRTSK-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN COc1ccc(N(C)CCOc2ccc(S(C)(=O)=O)cc2)c(OC)c1 ZINC000752108240 735957792 /nfs/dbraw/zinc/95/77/92/735957792.db2.gz ALZVQZCRFOHNRN-UHFFFAOYSA-N 0 0 365.451 2.623 20 10 FFCDRN COc1cc(CN2CCCS(=O)(=O)C[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000902559753 735961749 /nfs/dbraw/zinc/96/17/49/735961749.db2.gz WVZNQZFCHAWYJW-CYBMUJFWSA-N 0 0 355.500 2.707 20 10 FFCDRN C[C@H]([NH2+]CC[C@@H]1CC(=O)N(C)C1)c1cc(Br)cc(F)c1[O-] ZINC000903215933 736056937 /nfs/dbraw/zinc/05/69/37/736056937.db2.gz QYKFTEHYSXIKHM-VHSXEESVSA-N 0 0 359.239 2.813 20 10 FFCDRN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(Cl)cc(C)c2O)cn1 ZINC000754155386 736131476 /nfs/dbraw/zinc/13/14/76/736131476.db2.gz WBWWPZDLGVGAOW-FYSMJZIKSA-N 0 0 367.902 2.876 20 10 FFCDRN Cc1cc(CC(=O)N[C@]2(CO)CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000754601922 736178338 /nfs/dbraw/zinc/17/83/38/736178338.db2.gz VUYQIJJDSKNZIB-IBGZPJMESA-N 0 0 362.857 2.558 20 10 FFCDRN [NH3+]Cc1nc2c(s1)CCN(Cc1cccc(Br)c1[O-])C2 ZINC000903941315 736191991 /nfs/dbraw/zinc/19/19/91/736191991.db2.gz YOHQFKOUCPKHJP-UHFFFAOYSA-N 0 0 354.273 2.628 20 10 FFCDRN C[C@@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756459532 736332869 /nfs/dbraw/zinc/33/28/69/736332869.db2.gz OUFBPUZWDWXZMP-RISCZKNCSA-N 0 0 350.346 2.530 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756732005 736356262 /nfs/dbraw/zinc/35/62/62/736356262.db2.gz KLWDBPUTDJABSH-GRLOZPDXSA-N 0 0 371.250 2.954 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756763055 736359980 /nfs/dbraw/zinc/35/99/80/736359980.db2.gz XROKEBNZSQDBKE-UFBFGSQYSA-N 0 0 352.303 2.874 20 10 FFCDRN C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000757658785 736416875 /nfs/dbraw/zinc/41/68/75/736416875.db2.gz LLWPGWKNWSACIB-LKFCYVNXSA-N 0 0 362.239 2.732 20 10 FFCDRN CCOc1ccc(CNc2cccc3c2CCN3S(C)(=O)=O)c(O)c1 ZINC000757993649 736443333 /nfs/dbraw/zinc/44/33/33/736443333.db2.gz OKTMULKTVHVUTM-UHFFFAOYSA-N 0 0 362.451 2.725 20 10 FFCDRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2F)ccc1Cl ZINC000758168759 736457989 /nfs/dbraw/zinc/45/79/89/736457989.db2.gz FSBPYGSJJUIIKH-UHFFFAOYSA-N 0 0 359.762 2.772 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1nc(Cl)ccc1F ZINC000758513025 736496108 /nfs/dbraw/zinc/49/61/08/736496108.db2.gz YHKUQDGJLQMMGG-UHFFFAOYSA-N 0 0 367.783 2.780 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)C2CCC(=O)CC2)cc1 ZINC000906855072 736551990 /nfs/dbraw/zinc/55/19/90/736551990.db2.gz XWMMHYJVWJPWJB-UHFFFAOYSA-N 0 0 350.484 2.559 20 10 FFCDRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759579784 736578315 /nfs/dbraw/zinc/57/83/15/736578315.db2.gz LJBIWHKRZOAXPP-CHWSQXEVSA-N 0 0 370.544 2.572 20 10 FFCDRN COc1cccc(C(F)(F)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000907273099 736604905 /nfs/dbraw/zinc/60/49/05/736604905.db2.gz LEBYFCOLHQFIAX-LLVKDONJSA-N 0 0 351.349 2.946 20 10 FFCDRN COc1ccc(/C=C2\SC(=S)N(C)C2=O)c(Br)c1O ZINC000761010484 736687905 /nfs/dbraw/zinc/68/79/05/736687905.db2.gz JHPRFFLUVWDSQV-YVMONPNESA-N 0 0 360.254 2.994 20 10 FFCDRN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000761060323 736691733 /nfs/dbraw/zinc/69/17/33/736691733.db2.gz UBOPGNFNBOZLJA-NSHDSACASA-N 0 0 368.480 2.924 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)c1 ZINC000761971646 736778121 /nfs/dbraw/zinc/77/81/21/736778121.db2.gz ADZKYCCNMBGNRL-BXUZGUMPSA-N 0 0 366.483 2.526 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)c1 ZINC000761971650 736778220 /nfs/dbraw/zinc/77/82/20/736778220.db2.gz ADZKYCCNMBGNRL-RISCZKNCSA-N 0 0 366.483 2.526 20 10 FFCDRN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1SCCS1 ZINC000761983023 736779079 /nfs/dbraw/zinc/77/90/79/736779079.db2.gz PXYNONXVRHLHJP-ZDUSSCGKSA-N 0 0 372.943 2.932 20 10 FFCDRN CN(C)[C@H](C(=O)NCCc1ccc(O)c(O)c1)c1c(F)cccc1Cl ZINC000762264475 736808586 /nfs/dbraw/zinc/80/85/86/736808586.db2.gz ZSFVYCFUGZADLA-KRWDZBQOSA-N 0 0 366.820 2.852 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[S@](=O)C1 ZINC000763652754 736956575 /nfs/dbraw/zinc/95/65/75/736956575.db2.gz SCCBHQCUGODRJA-BZQUYTCOSA-N 0 0 365.499 2.786 20 10 FFCDRN COc1cc(CNC(=O)NCc2cccc(Br)c2O)ccn1 ZINC000764759735 737047118 /nfs/dbraw/zinc/04/71/18/737047118.db2.gz BTEOAAQKPFSYIU-UHFFFAOYSA-N 0 0 366.215 2.558 20 10 FFCDRN O=C(NCCOC1CCCC1)NCc1cccc(Br)c1O ZINC000764777725 737048486 /nfs/dbraw/zinc/04/84/86/737048486.db2.gz GKJXWDGJDZSKOP-UHFFFAOYSA-N 0 0 357.248 2.913 20 10 FFCDRN CCc1ncc(NC(=O)NCc2cccc(Br)c2O)cn1 ZINC000765316897 737107826 /nfs/dbraw/zinc/10/78/26/737107826.db2.gz PXNKFWLMMVMWJJ-UHFFFAOYSA-N 0 0 351.204 2.829 20 10 FFCDRN COc1cccnc1NC(=O)NCc1cccc(Br)c1O ZINC000765340310 737109803 /nfs/dbraw/zinc/10/98/03/737109803.db2.gz WYPICMPVDZZXOP-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN CC(C)(C)n1cc(C(=O)NCc2ccc(O)cc2O)c(Br)n1 ZINC000910949340 737148957 /nfs/dbraw/zinc/14/89/57/737148957.db2.gz JOVXUPXSPJXBJC-UHFFFAOYSA-N 0 0 368.231 2.742 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cccc2c1OCCO2 ZINC000765735857 737150908 /nfs/dbraw/zinc/15/09/08/737150908.db2.gz INKLQVPFICVGNX-UHFFFAOYSA-N 0 0 364.195 2.856 20 10 FFCDRN COc1ccccc1C(=O)C(=O)NCc1cccc(Br)c1O ZINC000765754786 737154235 /nfs/dbraw/zinc/15/42/35/737154235.db2.gz WPNODUXXPNCLRF-UHFFFAOYSA-N 0 0 364.195 2.662 20 10 FFCDRN CCOC(=O)C1(C(=O)NCc2cccc(Br)c2O)CCC1 ZINC000765756937 737154695 /nfs/dbraw/zinc/15/46/95/737154695.db2.gz PAEUYJWREBHUPP-UHFFFAOYSA-N 0 0 356.216 2.504 20 10 FFCDRN Cc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)[nH]n1 ZINC000912107968 737265922 /nfs/dbraw/zinc/26/59/22/737265922.db2.gz ZIQKUHWVHITYCT-UHFFFAOYSA-N 0 0 354.376 2.918 20 10 FFCDRN C[C@H]1CC(NC(=O)NCc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000805247586 740953697 /nfs/dbraw/zinc/95/36/97/740953697.db2.gz DBJUDSVQEZPVFA-UWVGGRQHSA-N 0 0 357.248 2.910 20 10 FFCDRN COc1ccc(NNC(=S)Nc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000767689271 737354975 /nfs/dbraw/zinc/35/49/75/737354975.db2.gz DLCKDUALWPZGHS-UHFFFAOYSA-N 0 0 363.355 2.825 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])c(C)s2)c1 ZINC000767792234 737368448 /nfs/dbraw/zinc/36/84/48/737368448.db2.gz GYUUTLPKUGEAHY-QMMMGPOBSA-N 0 0 372.424 2.718 20 10 FFCDRN Cc1cc(C(=O)NC2CC(CO)(CO)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000913311734 737392021 /nfs/dbraw/zinc/39/20/21/737392021.db2.gz JTBTVSZPFNUGDP-UHFFFAOYSA-N 0 0 362.857 2.611 20 10 FFCDRN Oc1cc2c(cc1CN1CCN(c3ccccc3Cl)CC1)[C@@H](O)CO2 ZINC000768438003 737423213 /nfs/dbraw/zinc/42/32/13/737423213.db2.gz NKYJYYNDLIMOCN-SFHVURJKSA-N 0 0 360.841 2.794 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(Cl)c2c(c1)OCCCO2 ZINC000768900692 737474811 /nfs/dbraw/zinc/47/48/11/737474811.db2.gz MQHCGPLMRZLZFL-UHFFFAOYSA-N 0 0 363.797 2.885 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)CCc2cccc(F)c2)c1 ZINC000914153680 737516466 /nfs/dbraw/zinc/51/64/66/737516466.db2.gz HWLBIQIAVBPCKK-LBPRGKRZSA-N 0 0 353.415 2.763 20 10 FFCDRN C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC000769358914 737520855 /nfs/dbraw/zinc/52/08/55/737520855.db2.gz CZCFUZHAOWXFSJ-GFCCVEGCSA-N 0 0 362.426 2.908 20 10 FFCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769958381 737586933 /nfs/dbraw/zinc/58/69/33/737586933.db2.gz UDFHQYIEGGKPRN-ZFWWWQNUSA-N 0 0 372.512 2.558 20 10 FFCDRN CCCCC[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770030812 737590218 /nfs/dbraw/zinc/59/02/18/737590218.db2.gz SQBRFEHAAKAEAE-CQSZACIVSA-N 0 0 354.472 2.949 20 10 FFCDRN Cc1ccc(O)c(CN2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000770352491 737618330 /nfs/dbraw/zinc/61/83/30/737618330.db2.gz NWWWSLFFQVFSLW-YOEHRIQHSA-N 0 0 350.459 2.815 20 10 FFCDRN CC(C)OCc1cc(NS(=O)(=O)N2C[C@H](C)C[C@H](C)C2)ccc1O ZINC000811703702 741549715 /nfs/dbraw/zinc/54/97/15/741549715.db2.gz AMOCFFSECGLTPG-OKILXGFUSA-N 0 0 356.488 2.952 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)CCS(=O)(=O)CC(C)C)cc1 ZINC000916041507 737674611 /nfs/dbraw/zinc/67/46/11/737674611.db2.gz AWAOISJKISIDHX-UHFFFAOYSA-N 0 0 368.543 2.952 20 10 FFCDRN Cc1ccc(F)c(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)c1 ZINC000771195354 737704867 /nfs/dbraw/zinc/70/48/67/737704867.db2.gz CERHDUDZDPRXID-UHFFFAOYSA-N 0 0 363.370 2.928 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1nc(CN(C)C)cs1 ZINC000919072249 737838349 /nfs/dbraw/zinc/83/83/49/737838349.db2.gz ONHLGAWDYBFUBV-UHFFFAOYSA-N 0 0 361.515 2.579 20 10 FFCDRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000773087844 737870187 /nfs/dbraw/zinc/87/01/87/737870187.db2.gz LHWDLKIRRPOKKX-GFCCVEGCSA-N 0 0 352.431 2.940 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2ccsc2)cc1 ZINC000919809861 737878039 /nfs/dbraw/zinc/87/80/39/737878039.db2.gz RBHXTISSTJMSTH-UHFFFAOYSA-N 0 0 359.495 2.983 20 10 FFCDRN CS[C@@H](C)CCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000773272681 737887013 /nfs/dbraw/zinc/88/70/13/737887013.db2.gz 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738038049 /nfs/dbraw/zinc/03/80/49/738038049.db2.gz XPGXNZPQZHMQSF-ZDUSSCGKSA-N 0 0 359.857 2.900 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCOC3(CCSCC3)C2)ccc1[N+](=O)[O-] ZINC000775031651 738055205 /nfs/dbraw/zinc/05/52/05/738055205.db2.gz FNNWYDJVINMFQA-CYBMUJFWSA-N 0 0 368.455 2.843 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)ccc1[N+](=O)[O-] ZINC000775049141 738057042 /nfs/dbraw/zinc/05/70/42/738057042.db2.gz WUVCXSZSECYCTF-HCKVZZMMSA-N 0 0 356.469 2.778 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccn(C(F)F)n3)CC2)cc1 ZINC000775665418 738110906 /nfs/dbraw/zinc/11/09/06/738110906.db2.gz ALWZWTKHFQQPFN-UHFFFAOYSA-N 0 0 350.369 2.639 20 10 FFCDRN C[C@@H](NC(=O)c1ccn(C(F)F)n1)c1ccc(N2CCOCC2)cc1 ZINC000775676440 738111623 /nfs/dbraw/zinc/11/16/23/738111623.db2.gz UNYRMMAHVORCSX-GFCCVEGCSA-N 0 0 350.369 2.606 20 10 FFCDRN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775878336 738134925 /nfs/dbraw/zinc/13/49/25/738134925.db2.gz AQXDNHZROVYOTA-CABCVRRESA-N 0 0 369.845 2.791 20 10 FFCDRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000776300938 738179793 /nfs/dbraw/zinc/17/97/93/738179793.db2.gz NXUCENUDZPZSCB-CQSZACIVSA-N 0 0 364.467 2.773 20 10 FFCDRN CCCS(=O)(=O)Nc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000776658132 738219467 /nfs/dbraw/zinc/21/94/67/738219467.db2.gz MECMWGQYMJCXHY-UHFFFAOYSA-N 0 0 350.396 2.502 20 10 FFCDRN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000776749092 738229563 /nfs/dbraw/zinc/22/95/63/738229563.db2.gz WZLDWQNLYNQISH-UHFFFAOYSA-N 0 0 366.826 2.739 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1coc(C2CC2)n1 ZINC000777291675 738276230 /nfs/dbraw/zinc/27/62/30/738276230.db2.gz QQIOLEWSUPZGRX-UHFFFAOYSA-N 0 0 364.785 2.726 20 10 FFCDRN CN(C)[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000784603544 738907232 /nfs/dbraw/zinc/90/72/32/738907232.db2.gz VOPRILGQSRHRJS-KRWDZBQOSA-N 0 0 363.797 2.780 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ccsc3[N+](=O)[O-])cc2)CC1 ZINC000786067802 739021993 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CSC[C@H](C)C(=O)N1CCC(C(=O)N[C@@H](C)c2ccccc2O)CC1 ZINC000827964907 745008405 /nfs/dbraw/zinc/00/84/05/745008405.db2.gz ZSGQFONKQRNXGW-KBPBESRZSA-N 0 0 364.511 2.807 20 10 FFCDRN C[C@H](NC(=O)CCC(=O)N1CCc2sccc2C1)c1ccccc1O ZINC000827982248 745010486 /nfs/dbraw/zinc/01/04/86/745010486.db2.gz PMSFZWKPQMMEEY-ZDUSSCGKSA-N 0 0 358.463 2.996 20 10 FFCDRN COC(=O)CN(Cc1nnc(C2CC2)s1)Cc1cc(Cl)ccc1O ZINC000828294492 745052105 /nfs/dbraw/zinc/05/21/05/745052105.db2.gz ZRVPJJSVXGYXPN-UHFFFAOYSA-N 0 0 367.858 2.950 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000828427580 745065981 /nfs/dbraw/zinc/06/59/81/745065981.db2.gz OEXIIOUPXMQPLV-ZWNOBZJWSA-N 0 0 357.248 2.864 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)Nc2nc3c(s2)CCCC3)s1 ZINC000829684045 745244286 /nfs/dbraw/zinc/24/42/86/745244286.db2.gz GGQISHQAUVIPHR-UHFFFAOYSA-N 0 0 369.493 2.996 20 10 FFCDRN O=S(=O)(CCC1CCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000830082632 745303441 /nfs/dbraw/zinc/30/34/41/745303441.db2.gz LMFGCPFTLWBKIJ-UHFFFAOYSA-N 0 0 370.490 2.662 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)c3c[nH]nc3Cl)cc2)CC1 ZINC000830435399 745357757 /nfs/dbraw/zinc/35/77/57/745357757.db2.gz RXCYZYSZCLMQPY-UHFFFAOYSA-N 0 0 368.890 2.778 20 10 FFCDRN COc1ccc(CNC(=O)Cc2ccc(OC)c(OC)c2Cl)c(O)c1 ZINC000831032857 745469665 /nfs/dbraw/zinc/46/96/65/745469665.db2.gz LBJJTARHYLQVFL-UHFFFAOYSA-N 0 0 365.813 2.930 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)C3=CC(=O)CS3)CC[C@@H]21 ZINC000832800731 745757126 /nfs/dbraw/zinc/75/71/26/745757126.db2.gz YWFLHWRVYFUIPO-AAEUAGOBSA-N 0 0 352.456 2.925 20 10 FFCDRN O=C(Cn1cc(C2CC2)cn1)NCc1cccc(Br)c1O ZINC000834475971 745846286 /nfs/dbraw/zinc/84/62/86/745846286.db2.gz JZGNCWLYQSBRSX-UHFFFAOYSA-N 0 0 350.216 2.545 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CC(C)(C)O ZINC000834518902 745852632 /nfs/dbraw/zinc/85/26/32/745852632.db2.gz WCXLPOVBDWZWKK-UHFFFAOYSA-N 0 0 350.459 2.536 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CCCO1 ZINC000835082224 745947316 /nfs/dbraw/zinc/94/73/16/745947316.db2.gz PKDHIZBSEPULDG-AWEZNQCLSA-N 0 0 354.422 2.647 20 10 FFCDRN C[C@H](F)CCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000836242982 746173386 /nfs/dbraw/zinc/17/33/86/746173386.db2.gz ZLTYPDVXUFKLQE-IHRRRGAJSA-N 0 0 355.429 2.987 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1CC12CCOCC2 ZINC000836613412 746267747 /nfs/dbraw/zinc/26/77/47/746267747.db2.gz SRAGBMVVFYKOJW-LBPRGKRZSA-N 0 0 355.232 2.523 20 10 FFCDRN CO[C@@H]([C@@H](C)NC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000836640255 746274086 /nfs/dbraw/zinc/27/40/86/746274086.db2.gz GEMJOGCGHNLXCL-OTYXRUKQSA-N 0 0 357.248 2.767 20 10 FFCDRN O=C(NCc1cccs1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837307312 746419507 /nfs/dbraw/zinc/41/95/07/746419507.db2.gz IASLCBDCRQZHHJ-UHFFFAOYSA-N 0 0 367.421 2.862 20 10 FFCDRN COc1csc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000837707412 746503301 /nfs/dbraw/zinc/50/33/01/746503301.db2.gz MDVURSYBKMZOAY-UHFFFAOYSA-N 0 0 368.405 2.802 20 10 FFCDRN CC1(C)C[C@@H]1CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838469525 746645259 /nfs/dbraw/zinc/64/52/59/746645259.db2.gz CPYCZAAZXBHJKG-CYBMUJFWSA-N 0 0 353.413 2.647 20 10 FFCDRN NC(=O)C[C@H](NC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000838514046 746655623 /nfs/dbraw/zinc/65/56/23/746655623.db2.gz DWYALPNXNUATLY-ZDUSSCGKSA-N 0 0 364.496 2.541 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CC3CC2(C(F)(F)F)C3)cc1 ZINC000839201517 746800037 /nfs/dbraw/zinc/80/00/37/746800037.db2.gz MSSKFYXLFYEIOW-UHFFFAOYSA-N 0 0 355.404 2.738 20 10 FFCDRN Cc1ncc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000839633004 746876105 /nfs/dbraw/zinc/87/61/05/746876105.db2.gz DKOOKFCCVAOMMQ-LBPRGKRZSA-N 0 0 360.483 2.512 20 10 FFCDRN COc1cc2c(c(OC)c1)N(Cc1ccc(S(C)(=O)=O)o1)CCC2 ZINC000839656173 746883493 /nfs/dbraw/zinc/88/34/93/746883493.db2.gz WBHFXGPOANKZNH-UHFFFAOYSA-N 0 0 351.424 2.653 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](O)[C@@H](CO)C2)c(C)n1-c1cccc(Cl)c1 ZINC000839916047 746960040 /nfs/dbraw/zinc/96/00/40/746960040.db2.gz ZWTKOCKVWYQUMF-KDOFPFPSSA-N 0 0 362.857 2.563 20 10 FFCDRN CCOC(=O)C[C@H](C)SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000840195668 747035167 /nfs/dbraw/zinc/03/51/67/747035167.db2.gz DDESPIDNHDRHEA-AWEZNQCLSA-N 0 0 352.500 2.786 20 10 FFCDRN C[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)CC(F)(F)F ZINC000840268074 747052825 /nfs/dbraw/zinc/05/28/25/747052825.db2.gz RSTUEZSZEVKIGT-ZDUSSCGKSA-N 0 0 359.392 2.911 20 10 FFCDRN C[C@H](C(=O)NCc1cc(Br)ccc1O)C(=O)OC(C)(C)C ZINC000840456078 747097714 /nfs/dbraw/zinc/09/77/14/747097714.db2.gz ITUUSFRNGSOSLJ-SECBINFHSA-N 0 0 358.232 2.749 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]CCCNCc1cccnc1 ZINC000841042154 747259957 /nfs/dbraw/zinc/25/99/57/747259957.db2.gz LXVAEYWIRWAXKT-UHFFFAOYSA-N 0 0 350.260 2.819 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CC[C@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000841126356 747274752 /nfs/dbraw/zinc/27/47/52/747274752.db2.gz XBRZTMAPQYCRBJ-ZDUSSCGKSA-N 0 0 355.360 2.788 20 10 FFCDRN Cc1ccc([C@H](NC(=O)Nc2ccc(N)cc2)[C@@H](C)S(C)(=O)=O)cc1 ZINC000841297489 747314890 /nfs/dbraw/zinc/31/48/90/747314890.db2.gz RHFHNFALUJCLKM-CXAGYDPISA-N 0 0 361.467 2.873 20 10 FFCDRN Cc1sccc1/C=C1/SC(=S)N(CCCN2CCOCC2)C1=O ZINC000841496538 747370164 /nfs/dbraw/zinc/37/01/64/747370164.db2.gz PULMBRQSCUSTCW-SDNWHVSQSA-N 0 0 368.549 2.980 20 10 FFCDRN C[C@H](NS(=O)(=O)CCOCC1CCCC1)c1ccc(N(C)C)cc1 ZINC000841516733 747379744 /nfs/dbraw/zinc/37/97/44/747379744.db2.gz VEFPCIKWBSBMPA-HNNXBMFYSA-N 0 0 354.516 2.940 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000841568602 747405283 /nfs/dbraw/zinc/40/52/83/747405283.db2.gz COHWJYXEESOACS-GOEBONIOSA-N 0 0 353.532 2.558 20 10 FFCDRN CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841753403 747449704 /nfs/dbraw/zinc/44/97/04/747449704.db2.gz SUNUEKHRONRMLQ-GFCCVEGCSA-N 0 0 360.907 2.758 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cc(C(N)=O)cs3)C2)cc1 ZINC000842879988 747713141 /nfs/dbraw/zinc/71/31/41/747713141.db2.gz WIXRTGWBTIHHMD-GFCCVEGCSA-N 0 0 360.435 2.539 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)Cc1cncnc1OC ZINC000843395949 747825481 /nfs/dbraw/zinc/82/54/81/747825481.db2.gz VYNCRWXTPOFQKP-UHFFFAOYSA-N 0 0 352.232 2.975 20 10 FFCDRN COc1ccc(CNC(=O)C[C@H](C)n2cc(Br)cn2)c(O)c1 ZINC000843874990 747917819 /nfs/dbraw/zinc/91/78/19/747917819.db2.gz UUJNMOXIMWAKIQ-JTQLQIEISA-N 0 0 368.231 2.627 20 10 FFCDRN COC/C(C)=C\C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000844340773 748008738 /nfs/dbraw/zinc/00/87/38/748008738.db2.gz DDNIYSDBRONPOO-BABFWUTDSA-N 0 0 350.434 2.648 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)CSCc2cccnc2)cc1 ZINC000844852301 748116480 /nfs/dbraw/zinc/11/64/80/748116480.db2.gz IFPMUTVGHOHOII-UHFFFAOYSA-N 0 0 359.495 2.918 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cn(C)nc2C(F)F)cc1 ZINC000844853685 748117194 /nfs/dbraw/zinc/11/71/94/748117194.db2.gz BLQHEQOOGLUDEE-UHFFFAOYSA-N 0 0 352.385 2.575 20 10 FFCDRN Cc1cc(N2CCC(NC(=O)NCc3cc(Cl)ccc3O)CC2)n[nH]1 ZINC000845135262 748187800 /nfs/dbraw/zinc/18/78/00/748187800.db2.gz BJDUZEYIRJGEBR-UHFFFAOYSA-N 0 0 363.849 2.545 20 10 FFCDRN O=S(=O)(c1ccnc(NCc2cc(Cl)ccc2O)c1)N1CCCC1 ZINC000845709197 748311945 /nfs/dbraw/zinc/31/19/45/748311945.db2.gz NJOWKBBRZOHYAB-UHFFFAOYSA-N 0 0 367.858 2.837 20 10 FFCDRN COCc1ccccc1CS(=O)(=O)NCc1cc(Cl)ccc1O ZINC000845995940 748378192 /nfs/dbraw/zinc/37/81/92/748378192.db2.gz JOARJTOSWLIESX-UHFFFAOYSA-N 0 0 355.843 2.812 20 10 FFCDRN CCOc1cccc(CN[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c1O ZINC000846110002 748409145 /nfs/dbraw/zinc/40/91/45/748409145.db2.gz WFCIJLKKLDYJEZ-KMFMINBZSA-N 0 0 351.443 2.627 20 10 FFCDRN CCOc1ccc(O)c(CN[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c1 ZINC000846110683 748409160 /nfs/dbraw/zinc/40/91/60/748409160.db2.gz YYDRUPKGZVVXEZ-XUWXXGDYSA-N 0 0 351.443 2.627 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CSCN1C(=O)C1CCCC1 ZINC000846471923 748486997 /nfs/dbraw/zinc/48/69/97/748486997.db2.gz DTKKSDTVCXGUSE-AWEZNQCLSA-N 0 0 368.886 2.754 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000846472375 748487130 /nfs/dbraw/zinc/48/71/30/748487130.db2.gz IYJAOOOSIBVOLB-JTQLQIEISA-N 0 0 350.768 2.936 20 10 FFCDRN CCCCC(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846472764 748487733 /nfs/dbraw/zinc/48/77/33/748487733.db2.gz MNQXTBRPXGVTKX-ZDUSSCGKSA-N 0 0 356.875 2.754 20 10 FFCDRN CCN(CC)C(=O)N1CCC(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846473131 748487755 /nfs/dbraw/zinc/48/77/55/748487755.db2.gz PCUWITMGFUUYCK-UHFFFAOYSA-N 0 0 367.877 2.836 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)C(=O)OC(C)(C)C)c1 ZINC000847427616 748698917 /nfs/dbraw/zinc/69/89/17/748698917.db2.gz YRMKBTCHLAVFAI-VXGBXAGGSA-N 0 0 352.431 2.739 20 10 FFCDRN C[C@H](CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)NC(N)=O ZINC000848035735 748831885 /nfs/dbraw/zinc/83/18/85/748831885.db2.gz BVQRVPJMTZCKCB-QWHCGFSZSA-N 0 0 366.893 2.639 20 10 FFCDRN COc1cc(Br)cc([C@@H](C)N[C@@H](C)c2nncn2C)c1O ZINC000848525511 748948951 /nfs/dbraw/zinc/94/89/51/748948951.db2.gz RYYJGHXJZQJGII-BDAKNGLRSA-N 0 0 355.236 2.704 20 10 FFCDRN COc1cc(Br)cc([C@H](C)N[C@H](C)c2nncn2C)c1O ZINC000848525512 748949514 /nfs/dbraw/zinc/94/95/14/748949514.db2.gz RYYJGHXJZQJGII-DTWKUNHWSA-N 0 0 355.236 2.704 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)c(F)cc1[O-] ZINC000848564228 748961262 /nfs/dbraw/zinc/96/12/62/748961262.db2.gz JYYANMHMDLCFMI-IUCAKERBSA-N 0 0 369.238 2.630 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000849416595 749143360 /nfs/dbraw/zinc/14/33/60/749143360.db2.gz SSVBUGTZKPMBAY-CQSZACIVSA-N 0 0 366.870 2.906 20 10 FFCDRN O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-])CC(F)(F)F ZINC000850363814 749352655 /nfs/dbraw/zinc/35/26/55/749352655.db2.gz IREDFOGAVHOHFT-UHFFFAOYSA-N 0 0 366.188 2.766 20 10 FFCDRN Cn1c(Cl)nc(Cl)c1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000850406128 749360527 /nfs/dbraw/zinc/36/05/27/749360527.db2.gz SXPUWPWUJWHYTO-UHFFFAOYSA-N 0 0 369.296 2.978 20 10 FFCDRN CC[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850510171 749377991 /nfs/dbraw/zinc/37/79/91/749377991.db2.gz VUFUSYLDRFPNRJ-CJNGLKHVSA-N 0 0 364.269 2.908 20 10 FFCDRN CC[C@H](NCc1nc(C(N)=O)cs1)c1cc(Br)ccc1O ZINC000850541560 749384042 /nfs/dbraw/zinc/38/40/42/749384042.db2.gz XUNKPICBUXHBFM-JTQLQIEISA-N 0 0 370.272 2.951 20 10 FFCDRN C[C@H](NC(=O)NCC1SCCS1)c1ccc(N2CCOCC2)cc1 ZINC000852012570 749751487 /nfs/dbraw/zinc/75/14/87/749751487.db2.gz MEOLJCVKABICFJ-ZDUSSCGKSA-N 0 0 367.540 2.690 20 10 FFCDRN CCc1nc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000852076270 749768295 /nfs/dbraw/zinc/76/82/95/749768295.db2.gz IEOOQVYNVIDCDW-CYBMUJFWSA-N 0 0 360.483 2.792 20 10 FFCDRN CCSCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852310240 749830860 /nfs/dbraw/zinc/83/08/60/749830860.db2.gz LTIJIHWCLQCECN-UHFFFAOYSA-N 0 0 351.516 2.590 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1COC2(CCC2)C1 ZINC000852544451 749887449 /nfs/dbraw/zinc/88/74/49/749887449.db2.gz SMZXPCLUAPPHRN-LLVKDONJSA-N 0 0 355.232 2.666 20 10 FFCDRN CC1(C)OCC[C@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000852685377 749924924 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ZINC000895780504 970955455 /nfs/dbraw/zinc/95/54/55/970955455.db2.gz KQIRVEVMCYVQSN-UHFFFAOYSA-N 0 0 357.429 2.668 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCOC12CCCC2 ZINC000895880007 971023520 /nfs/dbraw/zinc/02/35/20/971023520.db2.gz VSDCKANNFCLTRZ-IBGZPJMESA-N 0 0 373.497 2.549 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000183436584 971122023 /nfs/dbraw/zinc/12/20/23/971122023.db2.gz CHIMNFXGYNBZLV-JTQLQIEISA-N 0 0 370.327 2.795 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](CC2CC2)NC(=O)OC(C)(C)C)c1O ZINC000896116010 971242623 /nfs/dbraw/zinc/24/26/23/971242623.db2.gz JRRSCIBOPZFENZ-AWEZNQCLSA-N 0 0 364.442 2.710 20 10 FFCDRN Cc1cc(C(=O)CN2CCO[C@@]3(CCOC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000185193753 971254496 /nfs/dbraw/zinc/25/44/96/971254496.db2.gz ACRSGPVSNZCSQP-NRFANRHFSA-N 0 0 372.440 2.907 20 10 FFCDRN C[C@@H]1COCC[C@@H]1NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888587132 1013069935 /nfs/dbraw/zinc/06/99/35/1013069935.db2.gz BFXBPUDZXJAJQB-KGLIPLIRSA-N 0 0 351.410 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FFCDRN COc1ccc(CNc2ccc(N3CCOCC3)c(F)c2)c(O)c1OC ZINC000892363239 967827696 /nfs/dbraw/zinc/82/76/96/967827696.db2.gz BWGRTJRFMAVCIB-UHFFFAOYSA-N 0 0 362.401 2.997 20 10 FFCDRN C[C@H](NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)c1ccccc1O ZINC000827982352 967925007 /nfs/dbraw/zinc/92/50/07/967925007.db2.gz UOWWRPGDVCRVOK-AWEZNQCLSA-N 0 0 373.474 2.922 20 10 FFCDRN CCOC(=O)CN(CCc1ccccc1)C(=O)c1ccc(C)c(O)c1O ZINC000780938709 968154883 /nfs/dbraw/zinc/15/48/83/968154883.db2.gz JIBFOOJOMSZIRZ-UHFFFAOYSA-N 0 0 357.406 2.654 20 10 FFCDRN CO[C@]12CCC[C@@]1(C(=O)N[C@H](C)c1ccc(N3CCOCC3)cc1)CCO2 ZINC000874197388 1013785059 /nfs/dbraw/zinc/78/50/59/1013785059.db2.gz UDYPGHXNDQWCCP-CZAAIQMYSA-N 0 0 374.481 2.634 20 10 FFCDRN C[C@@H]1C[C@H](c2ccccc2)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000286335778 968346288 /nfs/dbraw/zinc/34/62/88/968346288.db2.gz LRYAGGHICUSBQW-CXAGYDPISA-N 0 0 374.462 2.987 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000729535533 968448596 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OCKAWIQTNMXXSI-CQSZACIVSA-N 0 0 371.363 2.709 20 10 FFCDRN COc1c(O)c([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)ccc1[N+](=O)[O-] ZINC000840826267 973378921 /nfs/dbraw/zinc/37/89/21/973378921.db2.gz JHCPXPCZOSXSES-MRXNPFEDSA-N 0 0 363.414 2.708 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H]([C@H](C)O)C2)CCCC1 ZINC000651692051 973497266 /nfs/dbraw/zinc/49/72/66/973497266.db2.gz QTDSKEHXWTUAIL-LSDHHAIUSA-N 0 0 356.466 2.758 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000125752173 1014123444 /nfs/dbraw/zinc/12/34/44/1014123444.db2.gz YEBZZTQCEYIMOO-UHFFFAOYSA-N 0 0 371.393 2.986 20 10 FFCDRN COc1c(F)cc(F)cc1-c1noc([C@@H](O)Cc2ccc(O)c(O)c2)n1 ZINC001211664890 973975096 /nfs/dbraw/zinc/97/50/96/973975096.db2.gz ASWHPESOADISND-AWEZNQCLSA-N 0 0 364.304 2.711 20 10 FFCDRN O=C1CCc2cc(-c3noc([C@@H](O)Cc4ccc(O)c(O)c4)n3)ccc21 ZINC001211665376 974036063 /nfs/dbraw/zinc/03/60/63/974036063.db2.gz PYKLUYUEDRHXPT-KRWDZBQOSA-N 0 0 352.346 2.553 20 10 FFCDRN Oc1ccc(C[C@H](O)c2nc(-c3cccc(OC4CC4)c3)no2)cc1O ZINC001211665857 974071229 /nfs/dbraw/zinc/07/12/29/974071229.db2.gz YWPWGOWPJHYTJH-KRWDZBQOSA-N 0 0 354.362 2.965 20 10 FFCDRN Cc1nn(CC2CC2)c(C)c1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000649788621 1014224079 /nfs/dbraw/zinc/22/40/79/1014224079.db2.gz AOIBBRWRPOTITL-UHFFFAOYSA-N 0 0 368.481 2.944 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)NC[C@H]1C[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000979343205 975348224 /nfs/dbraw/zinc/34/82/24/975348224.db2.gz MPRKUOSMTHTRON-AVRGHOLYSA-N 0 0 371.441 2.520 20 10 FFCDRN COc1ccccc1C(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000760549583 975470979 /nfs/dbraw/zinc/47/09/79/975470979.db2.gz BECCUZJUPTWJNW-OAHLLOKOSA-N 0 0 368.433 2.592 20 10 FFCDRN Oc1ccccc1C[N@@H+](Cc1ccco1)C[C@H](O)COC[C@@H]1CCCO1 ZINC000006082946 976266566 /nfs/dbraw/zinc/26/65/66/976266566.db2.gz NSOJCMZSBSNNBL-HKUYNNGSSA-N 0 0 361.438 2.544 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCOC23CCOCC3)C2CC2)cc1 ZINC000898792745 976692060 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COc1cc(C)cc(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)c1O ZINC000894120892 977848672 /nfs/dbraw/zinc/84/86/72/977848672.db2.gz RSDJGZKUEDOTRO-GOSISDBHSA-N 0 0 369.465 2.771 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000728977967 978137970 /nfs/dbraw/zinc/13/79/70/978137970.db2.gz JFNRQYPGYGVULL-ZDUSSCGKSA-N 0 0 372.421 2.723 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(Cn3cncn3)cc2)c1 ZINC000728978986 978145415 /nfs/dbraw/zinc/14/54/15/978145415.db2.gz ASGDVBVWHJUODF-ZDUSSCGKSA-N 0 0 352.394 2.532 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 ZINC000728981371 978145659 /nfs/dbraw/zinc/14/56/59/978145659.db2.gz XZQSBMCJGKINAH-LSDHHAIUSA-N 0 0 368.433 2.940 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1 ZINC000728983781 978146753 /nfs/dbraw/zinc/14/67/53/978146753.db2.gz GEQDIMUTBWQILW-CQSZACIVSA-N 0 0 356.422 2.625 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c1 ZINC000728980915 978146921 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CC(=O)N1CCN(Cc2ccc(NCc3ccc(C)cc3O)cc2)CC1 ZINC000877139908 1014487273 /nfs/dbraw/zinc/48/72/73/1014487273.db2.gz FXCUIANENGAUII-UHFFFAOYSA-N 0 0 353.466 2.977 20 10 FFCDRN CC(C)CN1CC[C@@]2(CCCN(C(=O)c3ccc(O)c(O)c3)CC2)C1=O ZINC001271858136 979160880 /nfs/dbraw/zinc/16/08/80/979160880.db2.gz YGEAIBJKXNDYKQ-FQEVSTJZSA-N 0 0 360.454 2.599 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)C[C@@H]2CCCO2)c1 ZINC000923750716 979829540 /nfs/dbraw/zinc/82/95/40/979829540.db2.gz WUTLTFGRRNVKGV-QUCCMNQESA-N 0 0 370.449 2.566 20 10 FFCDRN C[C@H](C[C@H]1CCOC1)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000760192133 980196306 /nfs/dbraw/zinc/19/63/06/980196306.db2.gz GDJXKIGUUGWYCZ-JFIYKMOQSA-N 0 0 362.470 2.898 20 10 FFCDRN COc1ccc(N2CC[C@H](C[NH2+][C@@H]3C[C@H](NC(=O)[O-])C34CCC4)C2)cc1 ZINC000904249366 980222531 /nfs/dbraw/zinc/22/25/31/980222531.db2.gz ODPRLCGOOJXOLG-OLMNPRSZSA-N 0 0 359.470 2.690 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3[nH]nc(C)c3C(F)(F)F)CC2)cc1 ZINC000905103627 980382815 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C[C@@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(N(C)C)cc1 ZINC001116672217 1021345924 /nfs/dbraw/zinc/34/59/24/1021345924.db2.gz QLPMXOLXRNYEKX-GFCCVEGCSA-N 0 0 367.371 2.811 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2C[C@@H](C)O[C@H](CO)C2)c1 ZINC001116743343 1021388623 /nfs/dbraw/zinc/38/86/23/1021388623.db2.gz JEKNIHWKSDAQQD-ZBFHGGJFSA-N 0 0 362.857 2.969 20 10 FFCDRN C/C=C/C[C@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)OCC ZINC001116790537 1021417713 /nfs/dbraw/zinc/41/77/13/1021417713.db2.gz WONJAIPFJKFITG-JXTAAOLFSA-N 0 0 363.477 2.565 20 10 FFCDRN O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1ccc(O)c(O)c1 ZINC000934944095 1021479414 /nfs/dbraw/zinc/47/94/14/1021479414.db2.gz MZOXQJWMLKLYHV-UHFFFAOYSA-N 0 0 369.343 2.508 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCSc2ccccc21 ZINC001116986318 1021518990 /nfs/dbraw/zinc/51/89/90/1021518990.db2.gz JAQGFMFJYKAAHK-OAHLLOKOSA-N 0 0 356.447 2.704 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC2CCC(F)(F)CC2)cc1 ZINC001117045469 1021544670 /nfs/dbraw/zinc/54/46/70/1021544670.db2.gz TYSDNAYUBOEHKO-UHFFFAOYSA-N 0 0 367.440 2.843 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H]3CC=CCC3)cc2)CC1 ZINC000935569745 1021765887 /nfs/dbraw/zinc/76/58/87/1021765887.db2.gz PYPDWLXXGFCKAL-SFHVURJKSA-N 0 0 355.482 2.718 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2cccc3cc[nH]c32)cc1 ZINC001117653982 1021798479 /nfs/dbraw/zinc/79/84/79/1021798479.db2.gz WHOXOQWHOAYLMN-UHFFFAOYSA-N 0 0 364.449 2.509 20 10 FFCDRN COC1CCN(c2ccc(Cn3c(=O)onc3-c3ccccn3)cc2)CC1 ZINC000829121090 1033015262 /nfs/dbraw/zinc/01/52/62/1033015262.db2.gz QXRQRWNOWLCIFO-UHFFFAOYSA-N 0 0 366.421 2.562 20 10 FFCDRN Cc1cc(Cn2c(=O)onc2-c2cnccn2)ccc1N1CCCCC1 ZINC000829132788 1033020014 /nfs/dbraw/zinc/02/00/14/1033020014.db2.gz ACWQJORSVAEBGX-UHFFFAOYSA-N 0 0 351.410 2.640 20 10 FFCDRN CC(C)c1noc(CCC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000145678271 1022028729 /nfs/dbraw/zinc/02/87/29/1022028729.db2.gz SWZSQWXGHYSSJX-OAHLLOKOSA-N 0 0 372.469 2.840 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000778681638 1022218672 /nfs/dbraw/zinc/21/86/72/1022218672.db2.gz SQVRUCDRGDWATB-UHFFFAOYSA-N 0 0 357.366 2.628 20 10 FFCDRN O=C(NCc1nnc2n1CCCCC2)NCc1ccc(N2CCCC2)cc1 ZINC000043779758 1022269359 /nfs/dbraw/zinc/26/93/59/1022269359.db2.gz GGTOWTJOBNNYRQ-UHFFFAOYSA-N 0 0 368.485 2.604 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCO[C@H](CC(F)(F)F)C3)ccc21 ZINC001118531220 1022276458 /nfs/dbraw/zinc/27/64/58/1022276458.db2.gz CNLXRCSOFHEFQJ-OAHLLOKOSA-N 0 0 371.403 2.932 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc2c(c1)CC(=O)N2 ZINC000043862331 1022277455 /nfs/dbraw/zinc/27/74/55/1022277455.db2.gz SMDMBJLAQLMDOR-CYBMUJFWSA-N 0 0 352.438 2.808 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC3CC4(CC4(F)F)C3)CC2)cc1F ZINC001118566716 1022292077 /nfs/dbraw/zinc/29/20/77/1022292077.db2.gz OLHFSTGVOWZCMF-UHFFFAOYSA-N 0 0 369.387 2.854 20 10 FFCDRN Cc1cc(C(=O)CSc2cn[nH]n2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000155901006 1022301538 /nfs/dbraw/zinc/30/15/38/1022301538.db2.gz JJZDBBJVGNEMIW-UHFFFAOYSA-N 0 0 370.434 2.958 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H](C)C1CCC(F)CC1 ZINC001118688673 1022351642 /nfs/dbraw/zinc/35/16/42/1022351642.db2.gz XLEPROCZLLKUKJ-UQPPLGOBSA-N 0 0 363.477 2.710 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C2CC2)cc1 ZINC001118755482 1022385501 /nfs/dbraw/zinc/38/55/01/1022385501.db2.gz VXGAOWNHOLERJQ-KRWDZBQOSA-N 0 0 369.417 2.879 20 10 FFCDRN CCc1nc(C)c([C@H](C)N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)s1 ZINC001118945511 1022485148 /nfs/dbraw/zinc/48/51/48/1022485148.db2.gz AWZWAELJCJHVIX-LBPRGKRZSA-N 0 0 373.478 2.781 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC[C@@H]1CCCS1 ZINC001118998253 1022517229 /nfs/dbraw/zinc/51/72/29/1022517229.db2.gz BCOYRSXUFVNGCE-KRWDZBQOSA-N 0 0 363.527 2.503 20 10 FFCDRN O=C(CN1CCC=C(F)C1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000778961578 1022584782 /nfs/dbraw/zinc/58/47/82/1022584782.db2.gz VECFUMHRUMRPIB-UHFFFAOYSA-N 0 0 364.376 2.960 20 10 FFCDRN NC(=O)c1ccc(F)c(NC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000047875304 1022619000 /nfs/dbraw/zinc/61/90/00/1022619000.db2.gz GLZSQZPXDCKWAF-UHFFFAOYSA-N 0 0 356.401 2.847 20 10 FFCDRN Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2cccc(N3CCCC3)c2)c1C ZINC000159311836 1022650234 /nfs/dbraw/zinc/65/02/34/1022650234.db2.gz BJFMCNKKIOFMJV-UHFFFAOYSA-N 0 0 373.478 2.803 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(-n2cnnn2)c(C)c1 ZINC000750859896 1022662913 /nfs/dbraw/zinc/66/29/13/1022662913.db2.gz SRXKFSXGWDWROD-UHFFFAOYSA-N 0 0 351.410 2.729 20 10 FFCDRN O=c1ccc2cc(S(=O)(=O)Nc3cccc(N4CCCC4)c3)ccc2[nH]1 ZINC000751127605 1022760052 /nfs/dbraw/zinc/76/00/52/1022760052.db2.gz PKGUMIGJSCADPN-UHFFFAOYSA-N 0 0 369.446 2.929 20 10 FFCDRN Cc1nn(C)c(C)c1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751299713 1022787549 /nfs/dbraw/zinc/78/75/49/1022787549.db2.gz OVRGYTGSLHBQEB-UHFFFAOYSA-N 0 0 360.421 2.928 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3C=CCC3)cc2)CC1 ZINC001119470907 1022793785 /nfs/dbraw/zinc/79/37/85/1022793785.db2.gz VGHVHHWEQUVKBI-QGZVFWFLSA-N 0 0 355.482 2.622 20 10 FFCDRN C[C@@H]1CO[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC001119505774 1022822038 /nfs/dbraw/zinc/82/20/38/1022822038.db2.gz VTOBZEXPZWWHPO-BLLLJJGKSA-N 0 0 372.387 2.583 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)Cc2cc(-c3ccccc3)no2)c1 ZINC000751415819 1022828111 /nfs/dbraw/zinc/82/81/11/1022828111.db2.gz YTLUOPIWLULPQG-UHFFFAOYSA-N 0 0 374.418 2.675 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000751533914 1022857850 /nfs/dbraw/zinc/85/78/50/1022857850.db2.gz DYHDDHLKFWTWIA-CYBMUJFWSA-N 0 0 364.442 2.783 20 10 FFCDRN Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(F)c(F)c3)C2)c(O)c1O ZINC000751536146 1022858608 /nfs/dbraw/zinc/85/86/08/1022858608.db2.gz VOJHHZHZFJEFCZ-GFCCVEGCSA-N 0 0 362.376 2.941 20 10 FFCDRN Nc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)ccn1 ZINC001119621378 1022901568 /nfs/dbraw/zinc/90/15/68/1022901568.db2.gz SUXDBOJNAODIRH-CYBMUJFWSA-N 0 0 362.380 2.664 20 10 FFCDRN Cc1cccc(C[C@H](CO)NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000188176219 1023030985 /nfs/dbraw/zinc/03/09/85/1023030985.db2.gz HBSMDLNDKDFXCF-HXUWFJFHSA-N 0 0 365.477 2.774 20 10 FFCDRN O=C(Cn1cnc2ccccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000752151605 1023081944 /nfs/dbraw/zinc/08/19/44/1023081944.db2.gz YVCBQCGFHAWOKO-QGZVFWFLSA-N 0 0 365.433 2.950 20 10 FFCDRN CC(C)(C)OC(=O)N1CC(C(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000752598559 1023170799 /nfs/dbraw/zinc/17/07/99/1023170799.db2.gz CODACSFJPQBHLZ-UHFFFAOYSA-N 0 0 360.454 2.754 20 10 FFCDRN COCCCOc1cccc(CNC(=O)NCc2cc(OC)ccc2O)c1 ZINC000752672648 1023188290 /nfs/dbraw/zinc/18/82/90/1023188290.db2.gz XHGKQRXGGDKSCK-UHFFFAOYSA-N 0 0 374.437 2.816 20 10 FFCDRN COc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nc1 ZINC000752842486 1023213766 /nfs/dbraw/zinc/21/37/66/1023213766.db2.gz RSUGMTDFSLDTRE-UHFFFAOYSA-N 0 0 370.453 2.621 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2C)[C@H](CC)CN1C(C)=O ZINC000752982324 1023241540 /nfs/dbraw/zinc/24/15/40/1023241540.db2.gz SVIJOHPCJVDGQG-RTBURBONSA-N 0 0 374.529 2.992 20 10 FFCDRN C[C@H](NC(=O)Nc1ncn(C(C)(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000752996631 1023245227 /nfs/dbraw/zinc/24/52/27/1023245227.db2.gz BJEQAYZJOKOWFK-AWEZNQCLSA-N 0 0 372.473 2.752 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(CC)[nH]n1 ZINC000753079537 1023263994 /nfs/dbraw/zinc/26/39/94/1023263994.db2.gz CCGUKBTXNUDZSZ-UHFFFAOYSA-N 0 0 372.469 2.974 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1cnccc1-c1cccc(F)c1 ZINC000753551887 1023350881 /nfs/dbraw/zinc/35/08/81/1023350881.db2.gz CUBBPJCJFYBGNQ-UHFFFAOYSA-N 0 0 365.364 2.848 20 10 FFCDRN COc1ccc(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OC ZINC000753643295 1023363289 /nfs/dbraw/zinc/36/32/89/1023363289.db2.gz HRCGPNZYZWZPSK-CYBMUJFWSA-N 0 0 359.422 2.795 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)nc(CO)n2C ZINC001120684092 1023421738 /nfs/dbraw/zinc/42/17/38/1023421738.db2.gz QFORPRJLLVKECK-UHFFFAOYSA-N 0 0 366.465 2.794 20 10 FFCDRN COc1ccc(N2CCN(C[C@H]3COc4ccccc4O3)CC2)cc1F ZINC000754177682 1023435842 /nfs/dbraw/zinc/43/58/42/1023435842.db2.gz AMDNVRZUGQJSCF-INIZCTEOSA-N 0 0 358.413 2.796 20 10 FFCDRN Cc1ccc(C(=O)NC2(C)CCN(C(=O)OC(C)(C)C)CC2)c(O)c1O ZINC000779240312 1023521221 /nfs/dbraw/zinc/52/12/21/1023521221.db2.gz QRZNNCLTYZGDNK-UHFFFAOYSA-N 0 0 364.442 2.926 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C3(O)CCCCC3)cc2F)C[C@H](C)O1 ZINC000754987272 1023550582 /nfs/dbraw/zinc/55/05/82/1023550582.db2.gz GIWVOSAKGWVVHX-GASCZTMLSA-N 0 0 364.461 2.751 20 10 FFCDRN COC(=O)c1ccc(OC[C@@H](O)COc2ccc(N3CCCC3)cc2)cc1 ZINC000755353771 1023594212 /nfs/dbraw/zinc/59/42/12/1023594212.db2.gz XBWURIXEBZIBGA-GOSISDBHSA-N 0 0 371.433 2.892 20 10 FFCDRN COC(=O)[C@]1(NC(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CCOC1 ZINC000755737002 1023631844 /nfs/dbraw/zinc/63/18/44/1023631844.db2.gz MLKDNVGEOSDRSB-NRFANRHFSA-N 0 0 370.449 2.773 20 10 FFCDRN CC(C)c1nnc2n1CCN(C(=O)NCc1ccc(N(C)C)cc1)[C@H]2C ZINC000190437076 1023638344 /nfs/dbraw/zinc/63/83/44/1023638344.db2.gz GFRLEIVXSYIWKI-AWEZNQCLSA-N 0 0 356.474 2.754 20 10 FFCDRN CC(C)[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000755931959 1023652361 /nfs/dbraw/zinc/65/23/61/1023652361.db2.gz CLTABAJLJBAMFX-QZTJIDSGSA-N 0 0 372.513 2.576 20 10 FFCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(-n2cnnn2)cc1 ZINC000755982833 1023656216 /nfs/dbraw/zinc/65/62/16/1023656216.db2.gz CUHKYDJDDAHVAY-UHFFFAOYSA-N 0 0 373.438 2.601 20 10 FFCDRN CCN(CC)c1ccc(CN(C)c2nnc(-c3c(C)[nH]nc3N)n2C)cc1 ZINC001121356570 1023727032 /nfs/dbraw/zinc/72/70/32/1023727032.db2.gz AFWNVGVUUFPLHG-UHFFFAOYSA-N 0 0 368.489 2.578 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c1 ZINC000756706914 1023747617 /nfs/dbraw/zinc/74/76/17/1023747617.db2.gz IVWPBMUSBVQEOG-CYBMUJFWSA-N 0 0 364.442 2.839 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCNc2cc(OC)cc(OC)c2)c1 ZINC000756769204 1023754151 /nfs/dbraw/zinc/75/41/51/1023754151.db2.gz OYYFRIVUXYFLIZ-CYBMUJFWSA-N 0 0 374.437 2.959 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccc(CO)cc1 ZINC001123434645 1023799781 /nfs/dbraw/zinc/79/97/81/1023799781.db2.gz NWFYTGZSCJTZDS-UHFFFAOYSA-N 0 0 373.428 2.601 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2cnc(N)o2)n1C ZINC001121479479 1023801127 /nfs/dbraw/zinc/80/11/27/1023801127.db2.gz YQIPVWVSDJNABI-UHFFFAOYSA-N 0 0 367.457 2.679 20 10 FFCDRN O=C1[C@@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@@H]2CN1Cc1cccc(F)c1 ZINC001137832869 1033165933 /nfs/dbraw/zinc/16/59/33/1033165933.db2.gz KQOPNPXXMHODLJ-GDBMZVCRSA-N 0 0 358.388 2.761 20 10 FFCDRN Oc1cccc(F)c1CN1CCCn2nnc(COc3cccnc3)c2C1 ZINC001137832621 1033166443 /nfs/dbraw/zinc/16/64/43/1033166443.db2.gz BKRBZFWNXQYMGL-UHFFFAOYSA-N 0 0 369.400 2.503 20 10 FFCDRN Cc1c(Br)c(C(=O)NCc2ccc(N(C)C)cc2C)nn1C ZINC001123528751 1023852108 /nfs/dbraw/zinc/85/21/08/1023852108.db2.gz YCRFKPAWHQBWBE-UHFFFAOYSA-N 0 0 365.275 2.795 20 10 FFCDRN COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c(O)cccc1F ZINC001137832745 1033167125 /nfs/dbraw/zinc/16/71/25/1033167125.db2.gz GMXPKVREQPQSPD-CYBMUJFWSA-N 0 0 354.422 2.599 20 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MTFLUIQBSBEKSR-UHFFFAOYSA-N 0 0 368.477 2.972 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C[S@@](C)=O)n1Cc1ccccc1 ZINC001122070428 1024316177 /nfs/dbraw/zinc/31/61/77/1024316177.db2.gz CPJRQXBQHUXWTK-AREMUKBSSA-N 0 0 370.478 2.547 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(COC)cc1 ZINC000192997873 1024341870 /nfs/dbraw/zinc/34/18/70/1024341870.db2.gz QPAZBTYXARXGCC-UHFFFAOYSA-N 0 0 369.465 2.886 20 10 FFCDRN CCCN1C[C@@H](C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)CC1=O ZINC001124634648 1024354307 /nfs/dbraw/zinc/35/43/07/1024354307.db2.gz DYRMFZARTVSXQO-NSHDSACASA-N 0 0 364.467 2.611 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000079855240 1024389353 /nfs/dbraw/zinc/38/93/53/1024389353.db2.gz ZHMKHMCOIWSRPH-CQSZACIVSA-N 0 0 358.417 2.618 20 10 FFCDRN CCc1cc(CN2CC(n3cc(C(=O)OC)nn3)C2)c(O)c(C(C)(C)C)c1 ZINC000758967877 1024401791 /nfs/dbraw/zinc/40/17/91/1024401791.db2.gz DCXKPBPQBLMJCT-UHFFFAOYSA-N 0 0 372.469 2.687 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000759097194 1024465171 /nfs/dbraw/zinc/46/51/71/1024465171.db2.gz LIKRSJLPLNIVGW-IBGZPJMESA-N 0 0 367.493 2.949 20 10 FFCDRN COC(=O)c1cccc(NNC(=S)Nc2ccc3c(c2)OCCCO3)c1 ZINC000779726432 1024505331 /nfs/dbraw/zinc/50/53/31/1024505331.db2.gz DTJVFYRKUORBIQ-UHFFFAOYSA-N 0 0 373.434 2.948 20 10 FFCDRN CCC[C@H](C)NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759211535 1024520794 /nfs/dbraw/zinc/52/07/94/1024520794.db2.gz LLFHNROVSMFFLT-AWEZNQCLSA-N 0 0 365.474 2.733 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)[C@@]12CCCO2 ZINC000759320141 1024560046 /nfs/dbraw/zinc/56/00/46/1024560046.db2.gz GQWDQDGSHHQJFL-ZVDOUQERSA-N 0 0 373.497 2.595 20 10 FFCDRN COCC1(O)CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000759323592 1024561364 /nfs/dbraw/zinc/56/13/64/1024561364.db2.gz GWRICVMTKZPZMN-UHFFFAOYSA-N 0 0 374.456 2.889 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2nn(C)c3ccccc23)c1 ZINC000759356990 1024577750 /nfs/dbraw/zinc/57/77/50/1024577750.db2.gz OEJPDCNDLGSVMC-GFCCVEGCSA-N 0 0 354.410 2.848 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2nn(C)c3ccccc23)cc1F ZINC000759360329 1024580780 /nfs/dbraw/zinc/58/07/80/1024580780.db2.gz NBRPOUOYJJCSKQ-UHFFFAOYSA-N 0 0 355.417 2.778 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1noc(Cc2ccccc2)n1 ZINC000759595418 1024678509 /nfs/dbraw/zinc/67/85/09/1024678509.db2.gz RHTNCCIHWLAHAU-VQHVLOKHSA-N 0 0 352.346 2.828 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1CCCN(c2cccc(F)c2)C1=O ZINC000759596947 1024679856 /nfs/dbraw/zinc/67/98/56/1024679856.db2.gz XBDKTCCGCIFUJS-YPLUBFQTSA-N 0 0 371.364 2.989 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)N[C@H]1CCCc2ccccc21 ZINC000759597451 1024681252 /nfs/dbraw/zinc/68/12/52/1024681252.db2.gz ZQHAFUUXIQADAS-CCCPALQASA-N 0 0 367.401 2.848 20 10 FFCDRN COCCN(CC(=O)N1[C@H](C)CCC[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000081155816 1024767500 /nfs/dbraw/zinc/76/75/00/1024767500.db2.gz KIZUELOQUOEULM-IYBDPMFKSA-N 0 0 364.486 2.946 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(C(C)C)nn3C)CC2)cc1F ZINC000084814507 1025148689 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CCOC[C@H]1CN(Cc2cc(O)ccc2O)Cc2cn(CC3CC3)nc21 ZINC001141157102 1025538286 /nfs/dbraw/zinc/53/82/86/1025538286.db2.gz BTWWAQBOMQIDBW-QGZVFWFLSA-N 0 0 357.454 2.840 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(O)ccc2O)CC(F)(F)C1 ZINC001141162444 1025546646 /nfs/dbraw/zinc/54/66/46/1025546646.db2.gz RPHPYIWWEZBLSX-GFCCVEGCSA-N 0 0 358.385 2.832 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3ccc(C)c(O)c3)CC2)cc1F ZINC000089456311 1025598524 /nfs/dbraw/zinc/59/85/24/1025598524.db2.gz KFHKHVAZFJYQII-UHFFFAOYSA-N 0 0 358.413 2.740 20 10 FFCDRN CCCc1ccc(N2C[C@H](C(=O)NCc3ccc(N)cc3)CC2=O)cc1 ZINC000837302833 1025711399 /nfs/dbraw/zinc/71/13/99/1025711399.db2.gz IYCCHNYLDLARCK-QGZVFWFLSA-N 0 0 351.450 2.891 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCCOC2)c(C)n1-c1ccc(F)cn1 ZINC000837496451 1025849836 /nfs/dbraw/zinc/84/98/36/1025849836.db2.gz KLPRSOKXPCMRLQ-CQSZACIVSA-N 0 0 360.385 2.781 20 10 FFCDRN Cc1cc(C(=O)COC(=O)C[C@](C)(O)C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000837597561 1025920951 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CCOC(=O)[C@@H]1CCN(C(=O)/C=C(\C)c2cnccn2)c2ccccc21 ZINC000839329931 1026648938 /nfs/dbraw/zinc/64/89/38/1026648938.db2.gz YFLFATJKTODVON-WCRPCQDQSA-N 0 0 351.406 2.964 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](OCC)C1 ZINC000839339879 1026651061 /nfs/dbraw/zinc/65/10/61/1026651061.db2.gz SAFLALDKWMZSCK-QGZVFWFLSA-N 0 0 362.470 2.548 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cccc2ccccc21 ZINC000091257973 1026682977 /nfs/dbraw/zinc/68/29/77/1026682977.db2.gz WVBBDOOEUSLSGR-UHFFFAOYSA-N 0 0 350.374 2.548 20 10 FFCDRN Cc1ncc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C2CC2)n1 ZINC000839516536 1026711139 /nfs/dbraw/zinc/71/11/39/1026711139.db2.gz IVTFHNRXBNHDJD-GFCCVEGCSA-N 0 0 367.453 2.544 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1C ZINC000839549320 1026728214 /nfs/dbraw/zinc/72/82/14/1026728214.db2.gz ICHFJWKETUNBFO-UHFFFAOYSA-N 0 0 357.429 2.729 20 10 FFCDRN CCCN1C[C@H](C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1=O ZINC000839685949 1026793755 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Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCCn1ccnc1 ZINC000840265985 1027025967 /nfs/dbraw/zinc/02/59/67/1027025967.db2.gz CRZFTJXVYRFVSR-QGZVFWFLSA-N 0 0 357.502 2.968 20 10 FFCDRN C[C@@H](NC(=O)NC[C@H]1C[C@@H](C)O[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000840269668 1027027997 /nfs/dbraw/zinc/02/79/97/1027027997.db2.gz ADJBIKGDUWHJAM-XLMAVXFVSA-N 0 0 361.486 2.697 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C(=O)N(C)C)C3)cc2)CC1 ZINC000840293156 1027036425 /nfs/dbraw/zinc/03/64/25/1027036425.db2.gz UEWJJMZRAIQHGA-SFHVURJKSA-N 0 0 372.513 2.543 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000840328282 1027049758 /nfs/dbraw/zinc/04/97/58/1027049758.db2.gz XUZAAGHSTVFUJF-RHSMWYFYSA-N 0 0 355.486 2.572 20 10 FFCDRN C[C@@H](NC(=O)N1CC(CO)(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000840353951 1027058020 /nfs/dbraw/zinc/05/80/20/1027058020.db2.gz HKBLDUYQXULAFR-MRXNPFEDSA-N 0 0 353.466 2.769 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000840356845 1027058282 /nfs/dbraw/zinc/05/82/82/1027058282.db2.gz AWNOVXCTKSSSRY-HNNXBMFYSA-N 0 0 356.470 2.895 20 10 FFCDRN Cc1c(CN(C)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cnn1C ZINC000840484862 1027090336 /nfs/dbraw/zinc/09/03/36/1027090336.db2.gz QGZYMAHGZCOZDM-OAHLLOKOSA-N 0 0 357.502 2.876 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCc2cc[nH]c(=O)c2C1 ZINC000840485466 1027091737 /nfs/dbraw/zinc/09/17/37/1027091737.db2.gz TXVKAYSTXVTZLU-OAHLLOKOSA-N 0 0 368.481 2.861 20 10 FFCDRN Cc1cc(C(=O)N(C[C@@H]2CCC(=O)N2)C(C)C)c(C)n1-c1ccccn1 ZINC000840559327 1027114261 /nfs/dbraw/zinc/11/42/61/1027114261.db2.gz SCEYWTKEIDIIEZ-INIZCTEOSA-N 0 0 354.454 2.618 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1[nH]cnc1C(=O)c1ccccc1 ZINC001159041650 1027241754 /nfs/dbraw/zinc/24/17/54/1027241754.db2.gz VVHVDAKYNUEKCW-UHFFFAOYSA-N 0 0 355.781 2.930 20 10 FFCDRN COC(=O)c1ccc2nc(NCC(=O)c3ccc(O)c(O)c3)ccc2c1 ZINC001159277781 1027332830 /nfs/dbraw/zinc/33/28/30/1027332830.db2.gz ZOOUDRBTRCVUOG-UHFFFAOYSA-N 0 0 352.346 2.727 20 10 FFCDRN O=C(CNC(F)(F)c1nc(Cl)cc(Cl)n1)c1ccc(O)c(O)c1 ZINC001159273423 1027333926 /nfs/dbraw/zinc/33/39/26/1027333926.db2.gz WKSJCOZZDOJWKQ-UHFFFAOYSA-N 0 0 364.135 2.716 20 10 FFCDRN COc1cccc(-c2ccnc(NCC(=O)c3ccc(O)c(O)c3)n2)c1 ZINC001159279063 1027335154 /nfs/dbraw/zinc/33/51/54/1027335154.db2.gz JOHMYYROYFMTSV-UHFFFAOYSA-N 0 0 351.362 2.858 20 10 FFCDRN Cc1nc2c(nc(Cl)nc2NCC(=O)c2ccc(O)c(O)c2)s1 ZINC001159279767 1027335479 /nfs/dbraw/zinc/33/54/79/1027335479.db2.gz XWPHNCJMJUAMAP-UHFFFAOYSA-N 0 0 350.787 2.754 20 10 FFCDRN CCOC(=O)c1cnc(NCC(=O)c2ccc(O)c(O)c2)c(Cl)c1 ZINC001159279069 1027335637 /nfs/dbraw/zinc/33/56/37/1027335637.db2.gz JSMLNJBUUVDJSP-UHFFFAOYSA-N 0 0 350.758 2.618 20 10 FFCDRN COC(=O)c1ccc2cc(NCC(=O)c3ccc(O)c(O)c3)ncc2c1 ZINC001159279217 1027335966 /nfs/dbraw/zinc/33/59/66/1027335966.db2.gz MKQXLVISIKGIMD-UHFFFAOYSA-N 0 0 352.346 2.727 20 10 FFCDRN C[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)c1nc(-c2ccccc2)no1 ZINC001152967696 1027730980 /nfs/dbraw/zinc/73/09/80/1027730980.db2.gz MTRIBTXTCREAEP-LBPRGKRZSA-N 0 0 353.378 2.610 20 10 FFCDRN Cc1cc(C)c(CNc2nc3scnc3c(N3CCOCC3)n2)c(O)c1 ZINC001160807993 1027885404 /nfs/dbraw/zinc/88/54/04/1027885404.db2.gz GACJHNDLONZIJV-UHFFFAOYSA-N 0 0 371.466 2.857 20 10 FFCDRN O=C(NCCc1cccc(Br)c1)c1c(F)ccc(O)c1O ZINC001161448401 1028179379 /nfs/dbraw/zinc/17/93/79/1028179379.db2.gz CGYRBECUWDNIIN-UHFFFAOYSA-N 0 0 354.175 2.972 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2Cc3ccc(F)cc32)cc1 ZINC000796060971 1028428094 /nfs/dbraw/zinc/42/80/94/1028428094.db2.gz ADMDVGMGQPKXIG-LJQANCHMSA-N 0 0 370.424 2.733 20 10 FFCDRN COc1ccc(CC(=O)NCc2ccc(O)cc2O)cc1OC(F)F ZINC001162279274 1028488535 /nfs/dbraw/zinc/48/85/35/1028488535.db2.gz YOEBNQWRWBOWBH-UHFFFAOYSA-N 0 0 353.321 2.567 20 10 FFCDRN CCOC(=O)N1CCc2nnc(N(CC)Cc3ccccc3O)cc2C1 ZINC001154890629 1028498190 /nfs/dbraw/zinc/49/81/90/1028498190.db2.gz GTXMZYQBTBDPIV-UHFFFAOYSA-N 0 0 356.426 2.723 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC(C)(C)CO1 ZINC001162539843 1028573438 /nfs/dbraw/zinc/57/34/38/1028573438.db2.gz NKRAWXNJTGADQS-INIZCTEOSA-N 0 0 363.454 2.879 20 10 FFCDRN CC(C)CC1(NC(=O)c2cc3cc(O)c(O)cc3oc2=O)CCOCC1 ZINC001155235418 1028641447 /nfs/dbraw/zinc/64/14/47/1028641447.db2.gz NQWSZYFRFIZGHI-UHFFFAOYSA-N 0 0 361.394 2.529 20 10 FFCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H](CO)[C@H]1CCOC1 ZINC001163160028 1028828333 /nfs/dbraw/zinc/82/83/33/1028828333.db2.gz ODSKRTGTKZTADK-HOTGVXAUSA-N 0 0 370.405 2.883 20 10 FFCDRN Cc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)c(O)c1O ZINC000780858293 1028834476 /nfs/dbraw/zinc/83/44/76/1028834476.db2.gz BVVKUNLMAIITNJ-ZDUSSCGKSA-N 0 0 370.405 2.567 20 10 FFCDRN Cc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c(O)c1O ZINC000780872356 1028843075 /nfs/dbraw/zinc/84/30/75/1028843075.db2.gz KOBMAPNEFAJGPL-UHFFFAOYSA-N 0 0 373.384 2.535 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2ccc(C)nc2N2CCCC2)c1 ZINC000781375946 1029178064 /nfs/dbraw/zinc/17/80/64/1029178064.db2.gz NZCHSCNZODYHKI-UHFFFAOYSA-N 0 0 370.453 2.704 20 10 FFCDRN Cc1ccc2cc(C(=O)NCCc3cc(O)c(O)cc3O)cc(C)c2n1 ZINC001156655061 1029291431 /nfs/dbraw/zinc/29/14/31/1029291431.db2.gz ZNOSDVQCZMIVQR-UHFFFAOYSA-N 0 0 352.390 2.941 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CSc2nnc(C3CCC3)n2C)cc1 ZINC000781608249 1029303137 /nfs/dbraw/zinc/30/31/37/1029303137.db2.gz BMWPUWRSLSIFTR-UHFFFAOYSA-N 0 0 373.526 2.899 20 10 FFCDRN CN(C)c1ccc(CN(C)c2cc(S(=O)(=O)N3CCCC3)ccn2)cc1 ZINC001156920432 1029406660 /nfs/dbraw/zinc/40/66/60/1029406660.db2.gz FAOQNGXBTWLLGL-UHFFFAOYSA-N 0 0 374.510 2.569 20 10 FFCDRN O=[N+]([O-])c1ccc(-c2ccc(NCCc3cc(O)c(O)cc3O)nn2)cc1 ZINC001157245178 1029520605 /nfs/dbraw/zinc/52/06/05/1029520605.db2.gz NVLLIJOLBCJSBZ-UHFFFAOYSA-N 0 0 368.349 2.823 20 10 FFCDRN Oc1cc(O)c(CCNc2ncnc3c2ncn3-c2ccccc2)cc1O ZINC001157245329 1029520756 /nfs/dbraw/zinc/52/07/56/1029520756.db2.gz VSZVUOQTALTKKW-UHFFFAOYSA-N 0 0 363.377 2.587 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(OC(F)F)c([N+](=O)[O-])c2)c1O ZINC000782015146 1029524278 /nfs/dbraw/zinc/52/42/78/1029524278.db2.gz SEJJZLXNKQQKER-UHFFFAOYSA-N 0 0 368.292 2.840 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc2c1OCO2 ZINC000782646041 1029773430 /nfs/dbraw/zinc/77/34/30/1029773430.db2.gz RIJPGYYUSHFDSG-UHFFFAOYSA-N 0 0 373.384 2.713 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cccc2c1OCO2 ZINC000782646955 1029773967 /nfs/dbraw/zinc/77/39/67/1029773967.db2.gz MZYVWBDHWYBYEW-UHFFFAOYSA-N 0 0 369.421 2.916 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCOCC3)cc2F)C[C@@H](C)O1 ZINC000782678193 1029783441 /nfs/dbraw/zinc/78/34/41/1029783441.db2.gz ZNSPQZNXKYWEER-BFYDXBDKSA-N 0 0 364.461 2.872 20 10 FFCDRN Cc1cnn(-c2ccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc2)c1 ZINC000783023233 1029881091 /nfs/dbraw/zinc/88/10/91/1029881091.db2.gz GUKZWSZILWGNLK-UHFFFAOYSA-N 0 0 352.346 2.632 20 10 FFCDRN Cc1cc(N(C)C)ccc1CN[C@H](c1nc(-c2nc[nH]n2)no1)C(C)C ZINC000840935747 1029933441 /nfs/dbraw/zinc/93/34/41/1029933441.db2.gz CNFAVZGKGBBDJQ-HNNXBMFYSA-N 0 0 355.446 2.716 20 10 FFCDRN O=C([O-])c1cccc(C[NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840995125 1029968024 /nfs/dbraw/zinc/96/80/24/1029968024.db2.gz NVIBUXLMTLEZJM-UHFFFAOYSA-N 0 0 362.376 2.789 20 10 FFCDRN C[C@H](C[C@H](C)O)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000783237148 1029985049 /nfs/dbraw/zinc/98/50/49/1029985049.db2.gz GWNFSUSZLYONGY-HZSPNIEDSA-N 0 0 371.428 2.715 20 10 FFCDRN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCc1ccc(N)cc1 ZINC000841040467 1029996187 /nfs/dbraw/zinc/99/61/87/1029996187.db2.gz MVNZELPRUFCKFV-UHFFFAOYSA-N 0 0 352.438 2.834 20 10 FFCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)CNC(=O)c1ccco1 ZINC001142113796 1030042610 /nfs/dbraw/zinc/04/26/10/1030042610.db2.gz QFEVDWPOMZBSHG-ZKOQEHJTSA-N 0 0 364.365 2.628 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)Nc2cc(F)ccc2OC[C@@H]2CCCO2)cc1 ZINC000841149206 1030074250 /nfs/dbraw/zinc/07/42/50/1030074250.db2.gz DCCYXWVDYJQUJH-HNNXBMFYSA-N 0 0 373.384 2.543 20 10 FFCDRN O=C(Cc1coc(-c2ccc(F)cc2)n1)OCC(=O)c1ccc(O)c(O)c1 ZINC000783670189 1030221916 /nfs/dbraw/zinc/22/19/16/1030221916.db2.gz PPBLDUZNHVIDHI-UHFFFAOYSA-N 0 0 371.320 2.861 20 10 FFCDRN O=C(/C=C\c1cncc(O)c1)N1CCOc2ccc(Br)cc21 ZINC001166269866 1030331914 /nfs/dbraw/zinc/33/19/14/1030331914.db2.gz BJJYINGGRJNGSM-RJRFIUFISA-N 0 0 361.195 2.989 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCNc1cnccn1 ZINC001142386654 1030383156 /nfs/dbraw/zinc/38/31/56/1030383156.db2.gz OSWXIZAMKKATAS-UHFFFAOYSA-N 0 0 363.421 2.539 20 10 FFCDRN CCN(CC)C(=O)c1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841678872 1030398240 /nfs/dbraw/zinc/39/82/40/1030398240.db2.gz DSMXSFGAGNEISU-UHFFFAOYSA-N 0 0 368.481 2.793 20 10 FFCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC([C@@H]3CCOC3)CC2)c1[N+](=O)[O-] ZINC000784178731 1030495742 /nfs/dbraw/zinc/49/57/42/1030495742.db2.gz LLHJHWYPJTZRSQ-CYBMUJFWSA-N 0 0 365.386 2.557 20 10 FFCDRN COc1cc2c(cc1CNC(=O)NCCc1ccc(N)cc1)O[C@@H](C)C2 ZINC000841863425 1030507591 /nfs/dbraw/zinc/50/75/91/1030507591.db2.gz OQKFJZNTWLSZSD-ZDUSSCGKSA-N 0 0 355.438 2.643 20 10 FFCDRN CCN(C)c1ccnc(N2CCc3c(c4cc(OC)ccc4n3C)C2)n1 ZINC001166819182 1030534322 /nfs/dbraw/zinc/53/43/22/1030534322.db2.gz QMZNPLCHQLBMQD-UHFFFAOYSA-N 0 0 351.454 2.996 20 10 FFCDRN CC(C)(C)O[C@@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1n1cccn1 ZINC000841913900 1030541030 /nfs/dbraw/zinc/54/10/30/1030541030.db2.gz SMEBATSCJRQBPU-KURKYZTESA-N 0 0 371.485 2.504 20 10 FFCDRN CCN1C[C@@H](CN(C)C(=O)NCCc2ccc(N)cc2)Oc2ccccc21 ZINC000841963105 1030562761 /nfs/dbraw/zinc/56/27/61/1030562761.db2.gz WMHUVBZVYCHZGX-GOSISDBHSA-N 0 0 368.481 2.740 20 10 FFCDRN O=C(Cc1ccccc1)N1CCCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142527007 1030579801 /nfs/dbraw/zinc/57/98/01/1030579801.db2.gz GDKCZVVCEWNDHY-UHFFFAOYSA-N 0 0 360.404 2.947 20 10 FFCDRN COc1ccc(C(=O)N2CCN(Cc3cc(F)c(F)cc3O)CC2)cc1 ZINC001142531328 1030580919 /nfs/dbraw/zinc/58/09/19/1030580919.db2.gz UTZFUQVGBMSPCH-UHFFFAOYSA-N 0 0 362.376 2.637 20 10 FFCDRN C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842141752 1030620765 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FFCDRN Cc1cc(C)n(CCCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC001333457893 1048913795 /nfs/dbraw/zinc/91/37/95/1048913795.db2.gz MBRWZIYGGJULIP-UHFFFAOYSA-N 0 0 374.460 2.572 20 10 FFCDRN CCc1c(C)nc2ncnn2c1NCc1ccc(N2CCOCC2)c(F)c1 ZINC001333639679 1049022570 /nfs/dbraw/zinc/02/25/70/1049022570.db2.gz DORDRSQSFZCBTA-UHFFFAOYSA-N 0 0 370.432 2.583 20 10 FFCDRN Cc1cc(CNC(=O)NCC(=O)NC2CCCC2)c(C)n1-c1ccccc1 ZINC001330516931 1049188647 /nfs/dbraw/zinc/18/86/47/1049188647.db2.gz PSVFFYFHFVVJJR-UHFFFAOYSA-N 0 0 368.481 2.952 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc(=O)[nH]cc2Br)cc1F ZINC001292282271 1049242947 /nfs/dbraw/zinc/24/29/47/1049242947.db2.gz MCIFXUNCSWNWGM-UHFFFAOYSA-N 0 0 368.206 2.685 20 10 FFCDRN CCN(C(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C)[C@@H]1CC(=O)NC1=O ZINC001292298523 1049259060 /nfs/dbraw/zinc/25/90/60/1049259060.db2.gz MTXOMUPLQVDGNI-GOSISDBHSA-N 0 0 367.449 2.588 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC(F)(F)CC1 ZINC001331141044 1049486015 /nfs/dbraw/zinc/48/60/15/1049486015.db2.gz 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ZINC001340206611 1050614801 /nfs/dbraw/zinc/61/48/01/1050614801.db2.gz WVBKRMDHNUMULZ-BEFAXECRSA-N 0 0 355.486 2.964 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCOCC2)n1CCc1ccccc1 ZINC001342267954 1050859583 /nfs/dbraw/zinc/85/95/83/1050859583.db2.gz YFKKDXWVXIICKO-UHFFFAOYSA-N 0 0 356.451 2.792 20 10 FFCDRN COCCN(C)c1nnc(CC(C)C)n1Cc1ccc(N(C)C)cc1C ZINC001301702940 1050961304 /nfs/dbraw/zinc/96/13/04/1050961304.db2.gz KMOSWRQKEPLYQS-UHFFFAOYSA-N 0 0 359.518 2.982 20 10 FFCDRN Cc1cc(=O)oc2cc(OCC(=O)N3Cc4cccc(O)c4C3)ccc12 ZINC001302785811 1051198835 /nfs/dbraw/zinc/19/88/35/1051198835.db2.gz ACFMLTJOMXSDPG-UHFFFAOYSA-N 0 0 351.358 2.728 20 10 FFCDRN CC(C)CC(=O)Nc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001542336172 1071211710 /nfs/dbraw/zinc/21/17/10/1071211710.db2.gz CKGRYHLYQWGLOA-UHFFFAOYSA-N 0 0 356.422 2.941 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC001342636198 1051241790 /nfs/dbraw/zinc/24/17/90/1051241790.db2.gz SWQSKMAYNDHASV-CQSZACIVSA-N 0 0 354.397 2.825 20 10 FFCDRN CCOc1ccc(N2CCN([C@@H](C)C(=O)N3CCC(C)CC3)CC2)cc1 ZINC001340946333 1051278630 /nfs/dbraw/zinc/27/86/30/1051278630.db2.gz UZKUPPBEOWEKKV-SFHVURJKSA-N 0 0 359.514 2.854 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ncc(C(N)=O)cc2Cl)cc1 ZINC001340972096 1051305387 /nfs/dbraw/zinc/30/53/87/1051305387.db2.gz HJQJHSYHWPKJCL-UHFFFAOYSA-N 0 0 360.845 2.610 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2nc3c(s2)CCC3)C1 ZINC001303749476 1051439183 /nfs/dbraw/zinc/43/91/83/1051439183.db2.gz RLVKSAZWVMGTFD-CYBMUJFWSA-N 0 0 358.463 2.992 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1cc2nccc(C(F)(F)F)n2n1 ZINC001303876165 1051464032 /nfs/dbraw/zinc/46/40/32/1051464032.db2.gz WTBJYCGSFYCNHI-UHFFFAOYSA-N 0 0 354.263 2.523 20 10 FFCDRN CCOc1ccccc1N1C[C@H](C(=O)NCc2c(O)cccc2F)CC1=O ZINC001303879263 1051465713 /nfs/dbraw/zinc/46/57/13/1051465713.db2.gz VPHPUKAXKMSKTR-CYBMUJFWSA-N 0 0 372.396 2.599 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCC1(Cc2ccc(F)cc2)CC1 ZINC001343121363 1051740392 /nfs/dbraw/zinc/74/03/92/1051740392.db2.gz 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C[C@@H](O)Cc1nnc(N(C)Cc2ccccc2O)n1Cc1cccs1 ZINC001344933301 1052142654 /nfs/dbraw/zinc/14/26/54/1052142654.db2.gz POPLPFJRGAXVAP-CYBMUJFWSA-N 0 0 358.467 2.653 20 10 FFCDRN CCOC(=O)c1cnc(CC)nc1NCc1ccc(N2CCOCC2)cc1 ZINC001306941409 1052224996 /nfs/dbraw/zinc/22/49/96/1052224996.db2.gz FVLKKNZTZFACPV-UHFFFAOYSA-N 0 0 370.453 2.664 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SC[C@](O)(C(N)=O)c1ccccc1 ZINC001307272589 1052278450 /nfs/dbraw/zinc/27/84/50/1052278450.db2.gz SPJGWYFVEFUFMA-LJQANCHMSA-N 0 0 353.447 2.552 20 10 FFCDRN O=C(Cc1cccc(F)c1)NCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308239773 1052436052 /nfs/dbraw/zinc/43/60/52/1052436052.db2.gz GBLDNDBXZJDUJT-UHFFFAOYSA-N 0 0 354.784 2.772 20 10 FFCDRN CN(Cc1ccco1)c1nnc(C2SC=CC2=O)n1C[C@H]1CCOC1 ZINC001345434381 1052444666 /nfs/dbraw/zinc/44/46/66/1052444666.db2.gz SLJMAYSACASUND-GFCCVEGCSA-N 0 0 360.439 2.978 20 10 FFCDRN O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@@H]2C1)C(F)(F)F ZINC001308765903 1052497093 /nfs/dbraw/zinc/49/70/93/1052497093.db2.gz LCURWTGHWFLQNT-GXSJLCMTSA-N 0 0 364.314 2.513 20 10 FFCDRN O=C1c2cccnc2SC1c1nnc(N2CCCC2)n1C[C@@H]1CCOC1 ZINC001343998678 1052537445 /nfs/dbraw/zinc/53/74/45/1052537445.db2.gz UCOZEGZOUKKIJW-LBPRGKRZSA-N 0 0 371.466 2.897 20 10 FFCDRN CO[C@H]1CCN(c2nnc(C3SC=CC3=O)n2C[C@@H]2CCCCO2)C1 ZINC001345757389 1052602479 /nfs/dbraw/zinc/60/24/79/1052602479.db2.gz HJNZLZMPCCQDST-STQMWFEESA-N 0 0 364.471 2.506 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cncc(C(C)=O)c3)C2)cc1 ZINC001345871594 1052650725 /nfs/dbraw/zinc/65/07/25/1052650725.db2.gz FCJZRBZFFUFTJR-OAHLLOKOSA-N 0 0 354.406 2.976 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCC[C@@H](CF)C2)n1C[C@@H]1CCOC1 ZINC001344471809 1052788414 /nfs/dbraw/zinc/78/84/14/1052788414.db2.gz TUDVADZUCVEXMG-STQMWFEESA-N 0 0 366.462 2.935 20 10 FFCDRN CC1(C)CN(c2nnc(C3SC=CC3=O)n2C[C@@H]2CCCO2)CCO1 ZINC001344573446 1052840779 /nfs/dbraw/zinc/84/07/79/1052840779.db2.gz YTGSIEMYHJXURI-LBPRGKRZSA-N 0 0 364.471 2.506 20 10 FFCDRN O=C([O-])[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]2C[C@H]21 ZINC001335192684 1053253318 /nfs/dbraw/zinc/25/33/18/1053253318.db2.gz NLBDQOZMGMJEAD-QXSJWSMHSA-N 0 0 359.426 2.784 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCCOCC2)n1C[C@H]1CCCCO1 ZINC001347021743 1053542924 /nfs/dbraw/zinc/54/29/24/1053542924.db2.gz BKSYXYJKZNEHOX-CYBMUJFWSA-N 0 0 364.471 2.508 20 10 FFCDRN CC(C)(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1 ZINC001543233321 1071422818 /nfs/dbraw/zinc/42/28/18/1071422818.db2.gz JPCWQQYBKQPHCU-UHFFFAOYSA-N 0 0 372.440 2.962 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@](C)(C(=O)NCc2cccc(O)c2O)C1 ZINC001347542087 1054087095 /nfs/dbraw/zinc/08/70/95/1054087095.db2.gz IKBABVPNISTCJC-LJQANCHMSA-N 0 0 364.442 2.751 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCCCSc2nccs2)c(Cl)n1 ZINC001347759532 1054290658 /nfs/dbraw/zinc/29/06/58/1054290658.db2.gz OTCWHIRBEYQZGQ-UHFFFAOYSA-N 0 0 370.887 2.737 20 10 FFCDRN COc1c(F)cc(C(=O)Nc2cccc(N3CCOCC3)c2)c(N)c1F ZINC001543378100 1071462537 /nfs/dbraw/zinc/46/25/37/1071462537.db2.gz OPSKJTFZZFVKMH-UHFFFAOYSA-N 0 0 363.364 2.645 20 10 FFCDRN Nc1ccc(CNC(=O)NC2(Cc3cccc(F)c3)CCOCC2)cc1 ZINC001337070852 1054455877 /nfs/dbraw/zinc/45/58/77/1054455877.db2.gz YGBHCDRVZDBKQB-UHFFFAOYSA-N 0 0 357.429 2.999 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@](O)(C3CC3)C2)c1 ZINC001348297233 1054614892 /nfs/dbraw/zinc/61/48/92/1054614892.db2.gz VSWRASWGAHHBFD-NRFANRHFSA-N 0 0 352.434 2.894 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1[nH]ncc1Br ZINC001348391445 1054667435 /nfs/dbraw/zinc/66/74/35/1054667435.db2.gz KPKWMVCUCCSJFJ-NSHDSACASA-N 0 0 365.275 2.908 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H](F)C3)CC2)c(OC)c1 ZINC001348740451 1054893122 /nfs/dbraw/zinc/89/31/22/1054893122.db2.gz BSRLYPVZQHOCFH-CABCVRRESA-N 0 0 350.434 2.881 20 10 FFCDRN CC[C@H](C)n1nccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001348880136 1054977967 /nfs/dbraw/zinc/97/79/67/1054977967.db2.gz QCFUGZZXQRKXER-HNNXBMFYSA-N 0 0 356.470 2.745 20 10 FFCDRN CCOc1ccc(OC(=O)COC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001337842726 1055055030 /nfs/dbraw/zinc/05/50/30/1055055030.db2.gz MWBWUWPJXXCBRO-WMZJFQQLSA-N 0 0 358.346 2.659 20 10 FFCDRN Cc1cc(CC(=O)N[C@@H](C)C(=O)N2CCCC2)c(C)n1-c1ccccc1 ZINC000847117047 1055079264 /nfs/dbraw/zinc/07/92/64/1055079264.db2.gz ZETLXXVFVDKXRE-INIZCTEOSA-N 0 0 353.466 2.764 20 10 FFCDRN CN(c1ccc(CNC(=O)NC[C@@H]2COCCN2C)cc1)C1CCCCC1 ZINC001349104476 1055097519 /nfs/dbraw/zinc/09/75/19/1055097519.db2.gz WKEZBQGZDWDBIC-HXUWFJFHSA-N 0 0 374.529 2.585 20 10 FFCDRN COc1ccc(O)c(CN[C@H](Cc2ccncc2)C(=O)OC(C)(C)C)c1 ZINC000848929524 1055385999 /nfs/dbraw/zinc/38/59/99/1055385999.db2.gz XRVIIVTXWLYXCR-QGZVFWFLSA-N 0 0 358.438 2.838 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2conc2CNC(=O)OC(C)(C)C)cc1 ZINC000847296079 1055408991 /nfs/dbraw/zinc/40/89/91/1055408991.db2.gz AJWTUMOKVPEDNO-UHFFFAOYSA-N 0 0 374.441 2.695 20 10 FFCDRN C[C@@H](NC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC000847355758 1055583330 /nfs/dbraw/zinc/58/33/30/1055583330.db2.gz GFLCKDCFWYSOAX-WCXIOVBPSA-N 0 0 362.518 2.611 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)NCc3ccc4c(c3)CCCN4C)O2)CO1 ZINC001350115632 1055631919 /nfs/dbraw/zinc/63/19/19/1055631919.db2.gz UXHSYLNLGQHLGG-FPDPHYFHSA-N 0 0 373.497 2.595 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1nc([C@@H]2CCCO2)n[nH]1 ZINC000847402763 1055710022 /nfs/dbraw/zinc/71/00/22/1055710022.db2.gz VCLRDZVBXPVMIA-INIZCTEOSA-N 0 0 373.457 2.874 20 10 FFCDRN CN1C(=O)C[C@H](C(=O)NCc2cccc(O)c2O)[C@@H]1c1cccc(Cl)c1 ZINC001350300211 1055713235 /nfs/dbraw/zinc/71/32/35/1055713235.db2.gz OBOOHAUFGOPURN-YOEHRIQHSA-N 0 0 374.824 2.587 20 10 FFCDRN C[C@@H](Cc1c[nH]cn1)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000847407602 1055722840 /nfs/dbraw/zinc/72/28/40/1055722840.db2.gz LRIRPYWLQDDOIW-OXJNMPFZSA-N 0 0 370.497 2.862 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000847572161 1056074157 /nfs/dbraw/zinc/07/41/57/1056074157.db2.gz XYFYXLRYYVDWHV-QFIPXVFZSA-N 0 0 366.461 2.979 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H]2C(=O)OC(C)(C)C)cc1F ZINC001358003960 1056097315 /nfs/dbraw/zinc/09/73/15/1056097315.db2.gz LMQMZBVGNNVYMT-UONOGXRCSA-N 0 0 350.434 2.876 20 10 FFCDRN C[C@H](NC(=O)C(=O)N[C@@H]1CCSC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001351365257 1056224047 /nfs/dbraw/zinc/22/40/47/1056224047.db2.gz YLXXUWJFQDTOHL-DZGCQCFKSA-N 0 0 363.527 2.720 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N[C@H]1CCSC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001351365260 1056224985 /nfs/dbraw/zinc/22/49/85/1056224985.db2.gz YLXXUWJFQDTOHL-HIFRSBDPSA-N 0 0 363.527 2.720 20 10 FFCDRN Cc1cc(C(=O)Nc2n[nH]cc2C(N)=O)c(C)n1-c1ccc(Cl)cc1 ZINC001353252884 1056228770 /nfs/dbraw/zinc/22/87/70/1056228770.db2.gz UETJPQCZCOCURG-UHFFFAOYSA-N 0 0 357.801 2.822 20 10 FFCDRN CCn1c([C@H]2CCc3n[nH]cc3C2)nnc1N(C)Cc1ccccc1O ZINC001339553015 1056577279 /nfs/dbraw/zinc/57/72/79/1056577279.db2.gz PDYGYYDVMRQNKJ-ZDUSSCGKSA-N 0 0 352.442 2.636 20 10 FFCDRN CCC/C=C/[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC001544529281 1071655631 /nfs/dbraw/zinc/65/56/31/1071655631.db2.gz BYDOLRNSUUYWNP-XXGTVTCJSA-N 0 0 360.498 2.977 20 10 FFCDRN COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](c4ccccc4)C3=O)C2)cc1 ZINC000849355803 1056840328 /nfs/dbraw/zinc/84/03/28/1056840328.db2.gz BFJNMHFTCLZVCG-SJLPKXTDSA-N 0 0 351.406 2.567 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1cccc2c1OCCO2 ZINC001443091949 1058179812 /nfs/dbraw/zinc/17/98/12/1058179812.db2.gz SKGBAORNSUSTTA-HNNXBMFYSA-N 0 0 355.390 2.775 20 10 FFCDRN Cc1cccc([C@@H](CC(=O)NCc2cc(Cl)ccc2O)NC(N)=O)c1 ZINC001300402285 1058185022 /nfs/dbraw/zinc/18/50/22/1058185022.db2.gz XYIVBKAKMVWJNG-OAHLLOKOSA-N 0 0 361.829 2.770 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC001443591720 1058221597 /nfs/dbraw/zinc/22/15/97/1058221597.db2.gz YLHVIIHBUDNTSJ-GJZGRUSLSA-N 0 0 362.455 2.976 20 10 FFCDRN COc1ncc(/C=C\C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001353911983 1058366983 /nfs/dbraw/zinc/36/69/83/1058366983.db2.gz VJQSRXHTGZCTMM-YFHOEESVSA-N 0 0 352.438 2.757 20 10 FFCDRN CC(C)CN(C[C@H](O)c1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001445541027 1058416561 /nfs/dbraw/zinc/41/65/61/1058416561.db2.gz RXFXSDSMWNQEPT-IBGZPJMESA-N 0 0 361.413 2.998 20 10 FFCDRN CC(C)(C)CC(=O)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001300465227 1058431928 /nfs/dbraw/zinc/43/19/28/1058431928.db2.gz HAAAXGBPGKLHPZ-UHFFFAOYSA-N 0 0 359.430 2.570 20 10 FFCDRN COCC1CCN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)CC1 ZINC001518870405 1058532604 /nfs/dbraw/zinc/53/26/04/1058532604.db2.gz SUHJYVUNYUQTBW-UHFFFAOYSA-N 0 0 361.465 2.703 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cncc(Cl)c1 ZINC001446815335 1058559392 /nfs/dbraw/zinc/55/93/92/1058559392.db2.gz KMCVNUHTTYVFIJ-UHFFFAOYSA-N 0 0 369.204 2.909 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC001447562632 1058670213 /nfs/dbraw/zinc/67/02/13/1058670213.db2.gz LBVCVOLRMDJYDW-FVQBIDKESA-N 0 0 370.453 2.606 20 10 FFCDRN CS(=O)(=O)c1ccc(CNC(=S)Nc2ccc(F)c(Cl)c2)nc1 ZINC001200591852 1058718915 /nfs/dbraw/zinc/71/89/15/1058718915.db2.gz QNFWMCIGHXZWFK-UHFFFAOYSA-N 0 0 373.862 2.764 20 10 FFCDRN CC[C@@H]1CCCN1c1nnc(C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001514080391 1058751729 /nfs/dbraw/zinc/75/17/29/1058751729.db2.gz RYNPKEHIUIVYJW-GOSISDBHSA-N 0 0 355.486 2.850 20 10 FFCDRN CCOc1cccc(CN(CCO)c2nnc(C3SC=CC3=O)n2C)c1 ZINC001519510700 1058793630 /nfs/dbraw/zinc/79/36/30/1058793630.db2.gz SHAZNLYFPPINPB-UHFFFAOYSA-N 0 0 374.466 2.647 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1Cc1ccc(F)cn1 ZINC001503018659 1058930133 /nfs/dbraw/zinc/93/01/33/1058930133.db2.gz XIFSGTUCOTXAFC-UHFFFAOYSA-N 0 0 371.416 2.739 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1c2ccccc2CC12CCOCC2 ZINC001450697300 1059043293 /nfs/dbraw/zinc/04/32/93/1059043293.db2.gz FMCDFOQOIALWAE-HXUWFJFHSA-N 0 0 353.418 2.851 20 10 FFCDRN CCCC[C@H](O)CCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001451046818 1059076053 /nfs/dbraw/zinc/07/60/53/1059076053.db2.gz JSZZKNKBGMIZSC-HNNXBMFYSA-N 0 0 370.440 2.749 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)c2nnnn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001514765385 1059086182 /nfs/dbraw/zinc/08/61/82/1059086182.db2.gz BZFREUKZMGJGFQ-AWEZNQCLSA-N 0 0 352.442 2.725 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000848146840 1059129830 /nfs/dbraw/zinc/12/98/30/1059129830.db2.gz YEACUDNUARKQMH-AOVQSPFDSA-N 0 0 350.418 2.706 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1c1ccncc1 ZINC001519854183 1059135433 /nfs/dbraw/zinc/13/54/33/1059135433.db2.gz GGHMRFOQPXNRMY-JKSUJKDBSA-N 0 0 374.824 2.746 20 10 FFCDRN CSCc1nc2ccccc2n1CC(=O)NCc1ccc(O)cc1O ZINC001451768270 1059140851 /nfs/dbraw/zinc/14/08/51/1059140851.db2.gz MWRIDBXTPCMRGQ-UHFFFAOYSA-N 0 0 357.435 2.627 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1cccc(I)c1 ZINC001451770634 1059142799 /nfs/dbraw/zinc/14/27/99/1059142799.db2.gz QFDQWIDKDKEBLE-UHFFFAOYSA-N 0 0 369.158 2.632 20 10 FFCDRN C=CC(=O)Nc1ccc(O)c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001451954990 1059169108 /nfs/dbraw/zinc/16/91/08/1059169108.db2.gz NTQNCKODWZRJCH-UHFFFAOYSA-N 0 0 363.373 2.701 20 10 FFCDRN Cn1cnc(/C=C\C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 ZINC001354577137 1059190630 /nfs/dbraw/zinc/19/06/30/1059190630.db2.gz OSVWMHBDUKKBQD-CLFYSBASSA-N 0 0 357.369 2.847 20 10 FFCDRN CC/C=C/Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O ZINC001546788971 1071873623 /nfs/dbraw/zinc/87/36/23/1071873623.db2.gz MCUJFPSPJFTAIU-VMPITWQZSA-N 0 0 352.442 2.987 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc3oc(=O)[nH]c32)cc1 ZINC000848243730 1059467424 /nfs/dbraw/zinc/46/74/24/1059467424.db2.gz PCUJXLFDBZYLCK-UHFFFAOYSA-N 0 0 355.394 2.750 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1noc2c1CCCC2 ZINC001515361600 1059614094 /nfs/dbraw/zinc/61/40/94/1059614094.db2.gz IKIOAZGHHIIULT-UHFFFAOYSA-N 0 0 370.453 2.607 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC001455160781 1059714351 /nfs/dbraw/zinc/71/43/51/1059714351.db2.gz CICVQMCTGVFJRY-KOMQPUFPSA-N 0 0 364.442 2.539 20 10 FFCDRN CC(C)[C@H](C(=O)NCc1cc(O)ccc1O)[C@H](C)NC(=O)OC(C)(C)C ZINC001455350639 1059768459 /nfs/dbraw/zinc/76/84/59/1059768459.db2.gz CEQOLDQWYFVRCG-LRDDRELGSA-N 0 0 366.458 2.899 20 10 FFCDRN O=C(COc1ccccc1OCC(F)(F)F)NCc1cc(O)ccc1O ZINC001455357473 1059770848 /nfs/dbraw/zinc/77/08/48/1059770848.db2.gz RLIVKZMMEVXIFI-UHFFFAOYSA-N 0 0 371.311 2.734 20 10 FFCDRN Nc1cc(F)c(Br)cc1C(=O)NCc1c(O)cccc1O ZINC001456323626 1060088019 /nfs/dbraw/zinc/08/80/19/1060088019.db2.gz UYAXLNLKHUSRJL-UHFFFAOYSA-N 0 0 355.163 2.512 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)NCC[C@@H]3CCCC[C@@H]3O)cs2)cc1 ZINC001355329795 1060131778 /nfs/dbraw/zinc/13/17/78/1060131778.db2.gz SNWYISRJXWTSNB-YOEHRIQHSA-N 0 0 359.495 2.987 20 10 FFCDRN COc1cccc(CN[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)c1O ZINC000848575810 1060304737 /nfs/dbraw/zinc/30/47/37/1060304737.db2.gz BPXFXLXRMJIIKW-INIZCTEOSA-N 0 0 358.438 2.838 20 10 FFCDRN Cc1nnc(N(C)CC2CC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001511791291 1060412004 /nfs/dbraw/zinc/41/20/04/1060412004.db2.gz XPXKNBCETITMGF-UHFFFAOYSA-N 0 0 369.513 2.690 20 10 FFCDRN CN(c1nnc(C2SC=CC2=O)n1C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC001517669284 1060585518 /nfs/dbraw/zinc/58/55/18/1060585518.db2.gz IDOONMRLNDUIIJ-RYUDHWBXSA-N 0 0 366.512 2.833 20 10 FFCDRN C/C(=C\c1ccco1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000848836125 1060798460 /nfs/dbraw/zinc/79/84/60/1060798460.db2.gz KLIKIXFFTCQJFF-NTCAYCPXSA-N 0 0 356.422 2.951 20 10 FFCDRN Cn1nc(-c2ccncc2)cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001459790344 1060818344 /nfs/dbraw/zinc/81/83/44/1060818344.db2.gz ZLDJFZLQLIFUBG-UHFFFAOYSA-N 0 0 354.757 2.924 20 10 FFCDRN O=C(Nc1c2nonc2ccc1Cl)c1cccc(C(=O)N2CCCC2)n1 ZINC001459790138 1060818508 /nfs/dbraw/zinc/81/85/08/1060818508.db2.gz WVNZRSFWZNEOHD-UHFFFAOYSA-N 0 0 371.784 2.760 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)C3CCC(C)CC3)C2)cc1 ZINC001475483717 1061108196 /nfs/dbraw/zinc/10/81/96/1061108196.db2.gz OHHQEFGLOKOJGL-SWKXRBFHSA-N 0 0 352.500 2.772 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3coc4ccccc43)C2)cc1 ZINC001475483902 1061109120 /nfs/dbraw/zinc/10/91/20/1061109120.db2.gz PUHLRLFHRODOKI-AWEZNQCLSA-N 0 0 372.446 2.999 20 10 FFCDRN CCc1nnc(N(C)Cc2ccccc2O)n1Cc1nccn1C(F)F ZINC001546421837 1061140555 /nfs/dbraw/zinc/14/05/55/1061140555.db2.gz UZCBHQLJUHJMLY-UHFFFAOYSA-N 0 0 362.384 2.822 20 10 FFCDRN CCc1nnc([C@@H]2C[C@@H](O)CN2Cc2ccc(N3CCCCC3)c(C)c2)[nH]1 ZINC001460956130 1061165538 /nfs/dbraw/zinc/16/55/38/1061165538.db2.gz ORMNFKJLBAOINJ-MJGOQNOKSA-N 0 0 369.513 2.974 20 10 FFCDRN CN(C)c1ccc(CNc2ccc(CC(=O)N3CCOCC3)cc2)cc1F ZINC001461062256 1061201043 /nfs/dbraw/zinc/20/10/43/1061201043.db2.gz ZMDCAEJUXYREOP-UHFFFAOYSA-N 0 0 371.456 2.905 20 10 FFCDRN COC(=O)c1coc(/C=C\C(=O)N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC001461338656 1061293279 /nfs/dbraw/zinc/29/32/79/1061293279.db2.gz RVBZARVZNRYKKD-KTKRTIGZSA-N 0 0 372.421 2.683 20 10 FFCDRN CCOC(=O)c1c(NC(=O)C[C@@H]2CCNC2=O)sc2c1CCCCC2 ZINC001526892692 1061314012 /nfs/dbraw/zinc/31/40/12/1061314012.db2.gz AQEKOWXJXVDAGW-NSHDSACASA-N 0 0 364.467 2.658 20 10 FFCDRN NC(=O)CCOc1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001476159248 1061357944 /nfs/dbraw/zinc/35/79/44/1061357944.db2.gz CCTSJXISDZFLMU-UHFFFAOYSA-N 0 0 363.801 2.622 20 10 FFCDRN Cn1nc(Br)cc1NC(=O)NCc1cc(Cl)ccc1O ZINC001476675876 1061456919 /nfs/dbraw/zinc/45/69/19/1061456919.db2.gz LFTRIALDPGPNTD-UHFFFAOYSA-N 0 0 359.611 2.863 20 10 FFCDRN C[C@@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@H]1O ZINC001476767740 1061475489 /nfs/dbraw/zinc/47/54/89/1061475489.db2.gz HMYIRVVKHBQQEJ-UKRRQHHQSA-N 0 0 351.410 2.631 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCC[C@H]3C(F)F)C2)cc1 ZINC001527594132 1061543954 /nfs/dbraw/zinc/54/39/54/1061543954.db2.gz WLEJIUPDXAKISI-CJNGLKHVSA-N 0 0 353.413 2.961 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)ccc1[N+](=O)[O-] ZINC001462274273 1061564210 /nfs/dbraw/zinc/56/42/10/1061564210.db2.gz WUPCRFUSCXPHDE-GDBMZVCRSA-N 0 0 359.382 2.714 20 10 FFCDRN CCOC(=O)c1cn(C)cc1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC001477172494 1061611927 /nfs/dbraw/zinc/61/19/27/1061611927.db2.gz RGBLRWFQBONCIQ-NSHDSACASA-N 0 0 361.398 2.799 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@](O)(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001462604049 1061686869 /nfs/dbraw/zinc/68/68/69/1061686869.db2.gz OTLAWTBODPRDQB-KRWDZBQOSA-N 0 0 374.840 2.646 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@H]1CC[C@H](C2CC2)O1 ZINC001462780649 1061771717 /nfs/dbraw/zinc/77/17/17/1061771717.db2.gz ZYOHMIFORXCHPM-RTBURBONSA-N 0 0 366.527 2.862 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCn3c(C)nnc3[C@H]2C)cc1F ZINC001477847463 1061817873 /nfs/dbraw/zinc/81/78/73/1061817873.db2.gz JDTCIURTHXUACD-CYBMUJFWSA-N 0 0 374.464 2.858 20 10 FFCDRN C[C@H](NC(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1O ZINC001477989295 1061862983 /nfs/dbraw/zinc/86/29/83/1061862983.db2.gz JMLBQJSIOYZDIU-NSHDSACASA-N 0 0 355.373 2.877 20 10 FFCDRN CC(=O)NC1CCC(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001478743801 1062099818 /nfs/dbraw/zinc/09/98/18/1062099818.db2.gz UBZJORLKLIDSGA-UHFFFAOYSA-N 0 0 372.513 2.876 20 10 FFCDRN Cc1cc(C(=O)Nc2n[nH]cc2C(N)=O)c(C)n1-c1cccc(Cl)c1 ZINC001522505457 1062199924 /nfs/dbraw/zinc/19/99/24/1062199924.db2.gz GPIPYAPKLCDWFC-UHFFFAOYSA-N 0 0 357.801 2.822 20 10 FFCDRN Cc1nnc(N2CCC(C)CC2)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001492800814 1062229231 /nfs/dbraw/zinc/22/92/31/1062229231.db2.gz LVEQWPPYDJASLS-UHFFFAOYSA-N 0 0 373.476 2.847 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1COc2ccc(O)cc2O1 ZINC001463810373 1062272104 /nfs/dbraw/zinc/27/21/04/1062272104.db2.gz RPLMBWZZOUUCPO-HXUWFJFHSA-N 0 0 368.433 2.791 20 10 FFCDRN COc1cc(OC)cc(S(=O)(=O)NCc2cc(Cl)ccc2O)c1 ZINC001464031282 1062390065 /nfs/dbraw/zinc/39/00/65/1062390065.db2.gz ZVULGVWVQGDRFS-UHFFFAOYSA-N 0 0 357.815 2.541 20 10 FFCDRN CCS[C@@H](C)Cc1nnc(N(C)Cc2ccccc2O)n1CCOC ZINC001523267142 1062414341 /nfs/dbraw/zinc/41/43/41/1062414341.db2.gz XVQCXGGPUAFTRN-AWEZNQCLSA-N 0 0 364.515 2.951 20 10 FFCDRN O=S(=O)(c1c(F)cccc1Br)N1Cc2cccc(O)c2C1 ZINC001464327801 1062548157 /nfs/dbraw/zinc/54/81/57/1062548157.db2.gz MCVBJZUWOLAQDW-UHFFFAOYSA-N 0 0 372.215 2.998 20 10 FFCDRN CN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])nc1 ZINC001436034374 1062619561 /nfs/dbraw/zinc/61/95/61/1062619561.db2.gz FKAFTSVVTQQSDD-LBPRGKRZSA-N 0 0 362.386 2.566 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COc3ccccc3C)CC2)c(OC)c1 ZINC001530968537 1062672473 /nfs/dbraw/zinc/67/24/73/1062672473.db2.gz RAISGKXRJCBKEV-UHFFFAOYSA-N 0 0 370.449 2.740 20 10 FFCDRN COC(=O)c1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)no1 ZINC001531620213 1062826880 /nfs/dbraw/zinc/82/68/80/1062826880.db2.gz GPICATIRMAAUJD-UHFFFAOYSA-N 0 0 353.378 2.799 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CC(c3ccccc3)=NO2)cc1 ZINC001437380436 1062857133 /nfs/dbraw/zinc/85/71/33/1062857133.db2.gz DOHZIPNMZOOWEN-HXUWFJFHSA-N 0 0 367.449 2.783 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc4ccccc4oc3=O)C2)cc1 ZINC001437578812 1062883866 /nfs/dbraw/zinc/88/38/66/1062883866.db2.gz OOCLESYGCFFPCM-HNNXBMFYSA-N 0 0 364.401 2.810 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cnc(SC)[nH]c2=O)cc1F ZINC001465006611 1062941809 /nfs/dbraw/zinc/94/18/09/1062941809.db2.gz PGYCPCFJMQRASF-UHFFFAOYSA-N 0 0 364.446 2.819 20 10 FFCDRN CN(C[C@H]1CCCO1)c1nnc(C2SC=CC2=O)n1C[C@@H]1CCCO1 ZINC001525097779 1063145354 /nfs/dbraw/zinc/14/53/54/1063145354.db2.gz ICQUZKBVROWPHZ-OLZOCXBDSA-N 0 0 364.471 2.506 20 10 FFCDRN COc1cc(N)c(C(=O)NCc2ccccc2O)cc1Br ZINC001465990093 1063290215 /nfs/dbraw/zinc/29/02/15/1063290215.db2.gz APIBCLRUZOHTGB-UHFFFAOYSA-N 0 0 351.200 2.676 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)Nc2ccnc(C)c2Br)c1 ZINC001466222691 1063368748 /nfs/dbraw/zinc/36/87/48/1063368748.db2.gz AJGWKWABZACPAJ-UHFFFAOYSA-N 0 0 350.216 2.910 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2cc3n(n2)CCC[C@H]3O)C2CC2)cc1 ZINC001441127285 1063401491 /nfs/dbraw/zinc/40/14/91/1063401491.db2.gz GZKHYFHCXCWBPD-LJQANCHMSA-N 0 0 354.454 2.581 20 10 FFCDRN CN(C)C(=O)/C=C/C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001441147739 1063402606 /nfs/dbraw/zinc/40/26/06/1063402606.db2.gz IUDFEJGMXOEXCC-VAWYXSNFSA-N 0 0 355.438 2.519 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](C)OCC(C)C ZINC001466397708 1063421943 /nfs/dbraw/zinc/42/19/43/1063421943.db2.gz CYTOCBDLETTYNN-GFCCVEGCSA-N 0 0 357.834 2.608 20 10 FFCDRN CN(c1ccc(CNC(=O)/C=C\CN2CCOCC2)cc1)C1CCCCC1 ZINC001442450430 1063536167 /nfs/dbraw/zinc/53/61/67/1063536167.db2.gz QHOZBGNZOHYEDW-YVMONPNESA-N 0 0 371.525 2.960 20 10 FFCDRN Cc1cc(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)ncn1 ZINC001466894059 1063585626 /nfs/dbraw/zinc/58/56/26/1063585626.db2.gz MCFHXXXOXJUGBH-UHFFFAOYSA-N 0 0 359.393 2.816 20 10 FFCDRN CC1(C)C[C@@]1(C)CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001468150341 1063934471 /nfs/dbraw/zinc/93/44/71/1063934471.db2.gz VFGLHDNQTWQDGK-IERDGZPVSA-N 0 0 372.513 2.624 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C(=O)O1 ZINC001468340497 1063970125 /nfs/dbraw/zinc/97/01/25/1063970125.db2.gz ZEDSGTPRJPYGOY-RDTXWAMCSA-N 0 0 359.470 2.959 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)NCC(C)(C)C3CC3)CC2)cc1 ZINC001468354029 1063972295 /nfs/dbraw/zinc/97/22/95/1063972295.db2.gz GRUVJFBJSMKVKO-UHFFFAOYSA-N 0 0 374.529 2.553 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC001469162593 1064101993 /nfs/dbraw/zinc/10/19/93/1064101993.db2.gz NIYIYDHUEQATGN-GXTWGEPZSA-N 0 0 364.442 2.798 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCC(=O)C2CCC(F)(F)CC2)cc1 ZINC001469248367 1064116551 /nfs/dbraw/zinc/11/65/51/1064116551.db2.gz GKNXDUHJMSVTSY-UHFFFAOYSA-N 0 0 352.341 2.973 20 10 FFCDRN O=C(C[C@@H](n1cccn1)C(F)(F)F)NCc1ccc2cccnc2c1O ZINC001469247727 1064116713 /nfs/dbraw/zinc/11/67/13/1064116713.db2.gz FLBRGFRLWKIFLJ-CYBMUJFWSA-N 0 0 364.327 2.947 20 10 FFCDRN Cc1nccnc1CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001470332701 1064308574 /nfs/dbraw/zinc/30/85/74/1064308574.db2.gz YCNWELJQBYPDJZ-UHFFFAOYSA-N 0 0 353.470 2.769 20 10 FFCDRN CC(C)[C@H](C(=O)N[C@@H](C)c1ccccc1O)N1C(=O)c2ccccc2C1=O ZINC001471195650 1064596840 /nfs/dbraw/zinc/59/68/40/1064596840.db2.gz JXNAHOPTRJGKFE-SCLBCKFNSA-N 0 0 366.417 2.890 20 10 FFCDRN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1)c1ccccc1O ZINC001471198085 1064598489 /nfs/dbraw/zinc/59/84/89/1064598489.db2.gz DWJXYRJRNGZNRE-LBPRGKRZSA-N 0 0 355.369 2.892 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCc1cccc(O)c1O ZINC001471642262 1064743058 /nfs/dbraw/zinc/74/30/58/1064743058.db2.gz PRKFEZYKYNLVHC-GXTWGEPZSA-N 0 0 364.442 2.798 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC001471643863 1064745349 /nfs/dbraw/zinc/74/53/49/1064745349.db2.gz LIBKLADMGDYXEZ-UHFFFAOYSA-N 0 0 374.400 2.821 20 10 FFCDRN CC(C)CN(CC(=O)NCc1cc(O)ccc1O)C(=O)OC(C)(C)C ZINC001471661615 1064750663 /nfs/dbraw/zinc/75/06/63/1064750663.db2.gz VKIWTXPZNCTDCD-UHFFFAOYSA-N 0 0 352.431 2.607 20 10 FFCDRN CC(C)(C)OC(=O)/C=C\c1cc(C(=O)NCc2cc(O)ccc2O)co1 ZINC001471661786 1064751042 /nfs/dbraw/zinc/75/10/42/1064751042.db2.gz BTMFMTAWQGTQSZ-ALCCZGGFSA-N 0 0 359.378 2.976 20 10 FFCDRN Cc1ccnc(Nc2cccc(C(=O)NCc3cc(O)ccc3O)c2)n1 ZINC001471662071 1064751193 /nfs/dbraw/zinc/75/11/93/1064751193.db2.gz MQOBPDPAVYUYLQ-UHFFFAOYSA-N 0 0 350.378 2.870 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCCOC(F)(F)C(F)(F)F)cc1 ZINC001471708693 1064766310 /nfs/dbraw/zinc/76/63/10/1064766310.db2.gz KFKDMUOXNZFJJL-UHFFFAOYSA-N 0 0 354.235 2.751 20 10 FFCDRN Cc1cc(C(=O)N2CC(CO)(CO)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC001471784775 1064786956 /nfs/dbraw/zinc/78/69/56/1064786956.db2.gz FPKNHJIIFAWYCF-UHFFFAOYSA-N 0 0 356.466 2.644 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1c(C(F)F)nc2cnccn21 ZINC001472317178 1065013530 /nfs/dbraw/zinc/01/35/30/1065013530.db2.gz YINNVKUNDCYEIK-UHFFFAOYSA-N 0 0 352.728 2.956 20 10 FFCDRN Cc1cc(C(=O)Nc2cn(C)nc2C(N)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC001472382788 1065039171 /nfs/dbraw/zinc/03/91/71/1065039171.db2.gz JATHYXFQINLTFE-UHFFFAOYSA-N 0 0 365.437 2.796 20 10 FFCDRN C[C@H]1CN(CCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CCO1 ZINC001472680672 1065127213 /nfs/dbraw/zinc/12/72/13/1065127213.db2.gz DGFKSURZDZQAEO-HNNXBMFYSA-N 0 0 369.421 2.958 20 10 FFCDRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)Cc1ccc(N)cc1 ZINC001576300531 1078213937 /nfs/dbraw/zinc/21/39/37/1078213937.db2.gz DIOKAJHKAGILRV-CQSZACIVSA-N 0 0 353.422 2.988 20 10 FFCDRN COc1ccc(CN2CCN(c3ccc(C)cc3)C(=O)C2)c(O)c1OC ZINC001474514914 1065540141 /nfs/dbraw/zinc/54/01/41/1065540141.db2.gz LBHCVLNKMFCVCN-UHFFFAOYSA-N 0 0 356.422 2.567 20 10 FFCDRN COc1ccc(-c2cc(C(=O)N(C)c3ccc(N)cc3)n[nH]2)c(OC)c1 ZINC001579176412 1078581469 /nfs/dbraw/zinc/58/14/69/1078581469.db2.gz QZKBAPGNCLDMIM-UHFFFAOYSA-N 0 0 352.394 2.953 20 10 FFCDRN C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001579424348 1078627961 /nfs/dbraw/zinc/62/79/61/1078627961.db2.gz ZRUSOGLBNZYIMX-PBHICJAKSA-N 0 0 361.486 2.963 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(C2CCCC2)nc1N ZINC001556516067 1075748981 /nfs/dbraw/zinc/74/89/81/1075748981.db2.gz YMRMRNYSPDPJKC-UHFFFAOYSA-N 0 0 361.442 2.838 20 10 FFCDRN CC(C)OCCOC1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001556998288 1075797208 /nfs/dbraw/zinc/79/72/08/1075797208.db2.gz OZFUDYVBTBZPLW-UHFFFAOYSA-N 0 0 362.430 2.895 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001557387206 1075844793 /nfs/dbraw/zinc/84/47/93/1075844793.db2.gz RIOBXZMFGRXSFU-UHFFFAOYSA-N 0 0 359.817 2.593 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2c3ccccc3CN(C)C2=O)c(C)n1-c1ccccn1 ZINC001557544458 1075860264 /nfs/dbraw/zinc/86/02/64/1075860264.db2.gz HHXKKMSICRHEIC-HXUWFJFHSA-N 0 0 374.444 2.932 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2cccc(CN3C(=O)CSC3=O)c2)c1 ZINC001557552263 1075861669 /nfs/dbraw/zinc/86/16/69/1075861669.db2.gz AVZVYGBAGDLDHH-UHFFFAOYSA-N 0 0 370.430 2.826 20 10 FFCDRN C[C@](CO)(Cc1ccc(F)cc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001557753532 1075884046 /nfs/dbraw/zinc/88/40/46/1075884046.db2.gz DPGHRBGMBPSDKL-GOSISDBHSA-N 0 0 358.373 2.712 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CC(O)(c2cccc(Br)c2)C1 ZINC001557901940 1075908901 /nfs/dbraw/zinc/90/89/01/1075908901.db2.gz HEMSIWSCJHDXBF-UHFFFAOYSA-N 0 0 354.225 2.560 20 10 FFCDRN C[C@H](NC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)o1)c1ccccc1O ZINC001557967545 1075919015 /nfs/dbraw/zinc/91/90/15/1075919015.db2.gz GMXSDTXBZUUNEE-NSHDSACASA-N 0 0 366.439 2.553 20 10 FFCDRN CCN1C(=O)C[C@H](C(=O)NCc2cc(O)ccc2O)[C@H]1c1cccc(C)c1 ZINC001558175663 1075956637 /nfs/dbraw/zinc/95/66/37/1075956637.db2.gz ZZCMGZKHTCOMGD-FXAWDEMLSA-N 0 0 368.433 2.632 20 10 FFCDRN CCOC(=O)[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001558874782 1076095356 /nfs/dbraw/zinc/09/53/56/1076095356.db2.gz ONNVGVHVDGPXCP-ZXLZKYRFSA-N 0 0 361.419 2.869 20 10 FFCDRN CN(CCc1nc(-c2ccccc2)no1)C(=O)c1c(F)ccc(O)c1O ZINC001558980804 1076108922 /nfs/dbraw/zinc/10/89/22/1076108922.db2.gz QBKWOGANWHOIJP-UHFFFAOYSA-N 0 0 357.341 2.602 20 10 FFCDRN COc1cc(N(C)C[C@H]2CCC[C@]3(CCOC3)O2)cc(OC)c1OC ZINC001559542505 1076171882 /nfs/dbraw/zinc/17/18/82/1076171882.db2.gz XGJDGFOWAMHHCL-DNVCBOLYSA-N 0 0 351.443 2.877 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CCCN(C)c3cc(F)ccc32)cc1 ZINC001559623884 1076178361 /nfs/dbraw/zinc/17/83/61/1076178361.db2.gz OFYZSUWFEZSLBV-UHFFFAOYSA-N 0 0 370.472 2.854 20 10 FFCDRN CCCC[C@@H](C(=O)OC)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001560083385 1076224025 /nfs/dbraw/zinc/22/40/25/1076224025.db2.gz WGNQWVUPKIUTKO-KRWDZBQOSA-N 0 0 350.459 2.558 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001560290751 1076260759 /nfs/dbraw/zinc/26/07/59/1076260759.db2.gz NDHKQUMPTCYDFN-JTQLQIEISA-N 0 0 372.849 2.944 20 10 FFCDRN CCOc1ccnc(N2CCC[N@H+](Cc3cc(F)cc(F)c3[O-])CC2)n1 ZINC001560670360 1076290259 /nfs/dbraw/zinc/29/02/59/1076290259.db2.gz BLOCNTOFOXHPQP-UHFFFAOYSA-N 0 0 364.396 2.571 20 10 FFCDRN COc1c([O-])c(C[N@H+](C)CCCC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC001561036354 1076323549 /nfs/dbraw/zinc/32/35/49/1076323549.db2.gz YTPTWZNUZAPVFR-UHFFFAOYSA-N 0 0 354.403 2.863 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cccc(NC=O)c3)CC2)cc1 ZINC001563344870 1076544242 /nfs/dbraw/zinc/54/42/42/1076544242.db2.gz WUOFDWRPGGQZIZ-UHFFFAOYSA-N 0 0 354.410 2.618 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H]2C[C@]2(C)c2ccccc2OC)c(O)c1 ZINC001564138645 1076608548 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CSc1ccccc1C(=O)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000267970549 509693833 /nfs/dbraw/zinc/69/38/33/509693833.db2.gz MMGBWRYRAAJVGS-UHFFFAOYSA-N 0 0 353.509 2.982 20 10 FFCDRN CC[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCO1 ZINC000183307098 509707401 /nfs/dbraw/zinc/70/74/01/509707401.db2.gz CCRIIYSAADGJIU-UYAOXDASSA-N 0 0 360.498 2.717 20 10 FFCDRN CN(C[C@@H]1CCCC[C@@H]1O)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000183355702 509735505 /nfs/dbraw/zinc/73/55/05/509735505.db2.gz PNGSQPXGGJKCMH-QYLKWSRPSA-N 0 0 358.482 2.546 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccnc1N1CCCCC1 ZINC000183424101 509779999 /nfs/dbraw/zinc/77/99/99/509779999.db2.gz OGTLRQMKHXXGEM-CQSZACIVSA-N 0 0 355.438 2.844 20 10 FFCDRN O=C(NCCCc1nc(-c2ccc(F)cc2)no1)c1cccc(O)c1O ZINC000193160076 509801059 /nfs/dbraw/zinc/80/10/59/509801059.db2.gz OBSVFTXXVATLCF-UHFFFAOYSA-N 0 0 357.341 2.650 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCc1ccnc(OC2CCOCC2)c1 ZINC000264977864 509806389 /nfs/dbraw/zinc/80/63/89/509806389.db2.gz DZURIDUFMVFNMG-UHFFFAOYSA-N 0 0 371.437 2.687 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)cc(C)n2)cc1F ZINC000193217451 509822353 /nfs/dbraw/zinc/82/23/53/509822353.db2.gz IPXBIXYCDGIGPJ-UHFFFAOYSA-N 0 0 372.444 2.939 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2c2cccs2)c1 ZINC000180332042 509873543 /nfs/dbraw/zinc/87/35/43/509873543.db2.gz RTRLODJJKIFCEY-ZDUSSCGKSA-N 0 0 366.464 2.803 20 10 FFCDRN COc1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cc1O ZINC000174072205 509936569 /nfs/dbraw/zinc/93/65/69/509936569.db2.gz OXLDXQNIUQIGNZ-UHFFFAOYSA-N 0 0 356.422 2.985 20 10 FFCDRN Cc1cc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1C(=O)NC(C)C ZINC000268563625 510010105 /nfs/dbraw/zinc/01/01/05/510010105.db2.gz KNOZOGKLKJWGSR-UHFFFAOYSA-N 0 0 371.437 2.909 20 10 FFCDRN O=C(c1cn2ccccc2n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000265462370 510066960 /nfs/dbraw/zinc/06/69/60/510066960.db2.gz ZBBKYAIIOJTCQA-MRXNPFEDSA-N 0 0 351.406 2.861 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@@H]2COC(=O)C2)cc1 ZINC000268774189 510091540 /nfs/dbraw/zinc/09/15/40/510091540.db2.gz UTSGPPPHOVHUSJ-INIZCTEOSA-N 0 0 356.422 2.828 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000180769852 510100293 /nfs/dbraw/zinc/10/02/93/510100293.db2.gz QIUQADLAWXECCU-OWNNVSBGSA-N 0 0 372.808 2.686 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NOC[C@H]1CCOC1 ZINC000190442273 510132169 /nfs/dbraw/zinc/13/21/69/510132169.db2.gz PSJOVPLDQPBQMO-NSHDSACASA-N 0 0 373.247 2.654 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000193941247 510139627 /nfs/dbraw/zinc/13/96/27/510139627.db2.gz ZTOQQCTZDGKFFD-MRVPVSSYSA-N 0 0 371.315 2.558 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000180876770 510159150 /nfs/dbraw/zinc/15/91/50/510159150.db2.gz GRRJOIOEYZHUDN-PVHVJQTOSA-N 0 0 351.402 2.812 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)cc1F ZINC000174579498 510190203 /nfs/dbraw/zinc/19/02/03/510190203.db2.gz NLFSGHKFCQXDKM-UHFFFAOYSA-N 0 0 372.400 2.569 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H](C2OCCO2)C1 ZINC000171632971 510263472 /nfs/dbraw/zinc/26/34/72/510263472.db2.gz MXRMVGMQNWGMHI-QGZVFWFLSA-N 0 0 359.470 2.581 20 10 FFCDRN CC(C)c1nnc2n1CCN(C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H]2C ZINC000190658066 510265495 /nfs/dbraw/zinc/26/54/95/510265495.db2.gz JMEAQSBYFQJMTD-CYBMUJFWSA-N 0 0 374.464 2.893 20 10 FFCDRN COc1cccc(CNC(=O)CSCC(=O)Nc2ccc(C)cc2)c1O ZINC000269197384 510286543 /nfs/dbraw/zinc/28/65/43/510286543.db2.gz QHZBOVFEHVISEO-UHFFFAOYSA-N 0 0 374.462 2.697 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)OC(C)(C)C)c1O ZINC000269205472 510289085 /nfs/dbraw/zinc/28/90/85/510289085.db2.gz TXVBIQNQOBTXKM-AWEZNQCLSA-N 0 0 364.442 2.807 20 10 FFCDRN CCCS(=O)(=O)c1ccccc1C(=O)NCc1cccc(OC)c1O ZINC000269205690 510291267 /nfs/dbraw/zinc/29/12/67/510291267.db2.gz UGLGLEFFSNOOSI-UHFFFAOYSA-N 0 0 363.435 2.515 20 10 FFCDRN Cc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)ccc1F ZINC000171770371 510358910 /nfs/dbraw/zinc/35/89/10/510358910.db2.gz IBZCSXXNPXDGOU-RVDMUPIBSA-N 0 0 366.483 2.668 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCC[C@@H]3CCCCO3)CC2)cc1 ZINC000181802420 510601593 /nfs/dbraw/zinc/60/15/93/510601593.db2.gz NSYOZZUILDIIJY-IBGZPJMESA-N 0 0 361.486 2.876 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](c2nccn2C)c2cccc(F)c2)c(O)c1O ZINC000181829738 510616052 /nfs/dbraw/zinc/61/60/52/510616052.db2.gz OVFPCFBITVPRLI-OAHLLOKOSA-N 0 0 355.369 2.798 20 10 FFCDRN COC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000185059260 510659998 /nfs/dbraw/zinc/65/99/98/510659998.db2.gz VELPTBJPQKQJLI-UHFFFAOYSA-N 0 0 350.434 2.628 20 10 FFCDRN COC(=O)CCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1 ZINC000195081014 510662355 /nfs/dbraw/zinc/66/23/55/510662355.db2.gz RTBQDOIJHHRUPG-UHFFFAOYSA-N 0 0 355.438 2.658 20 10 FFCDRN COc1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000185063704 510664319 /nfs/dbraw/zinc/66/43/19/510664319.db2.gz TWIPURQCQPFEKI-CQSZACIVSA-N 0 0 358.438 2.719 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000185110581 510691197 /nfs/dbraw/zinc/69/11/97/510691197.db2.gz MYQVXFJJOXIKQX-LBPRGKRZSA-N 0 0 352.431 2.632 20 10 FFCDRN C[C@@H](NCc1cc2c(cc1O)OCO2)c1nc(Cc2ccccc2)no1 ZINC000191598320 510743866 /nfs/dbraw/zinc/74/38/66/510743866.db2.gz LRZJTLFOIRKDLC-GFCCVEGCSA-N 0 0 353.378 2.946 20 10 FFCDRN CCN(CCCO)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266741191 510759992 /nfs/dbraw/zinc/75/99/92/510759992.db2.gz BVULDXYQLSOTEQ-AWEZNQCLSA-N 0 0 371.428 2.671 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2ccncn2)cc1 ZINC000191790662 510831640 /nfs/dbraw/zinc/83/16/40/510831640.db2.gz PBLOWIUYRZDXCK-HXUWFJFHSA-N 0 0 368.481 2.683 20 10 FFCDRN C[C@@H]1[C@@H](C)CN1C(=O)c1cc([N-]S(=O)(=O)c2cccs2)ccc1O ZINC000293875867 510883576 /nfs/dbraw/zinc/88/35/76/510883576.db2.gz AZCFWAKLSKVAEZ-WDEREUQCSA-N 0 0 366.464 2.735 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@@H](n4cncn4)C3)cc2)CC1 ZINC000364507769 510904988 /nfs/dbraw/zinc/90/49/88/510904988.db2.gz JDYURGKAWBJKMO-LJQANCHMSA-N 0 0 368.485 2.671 20 10 FFCDRN NC(=O)C1(C[NH2+][C@@H](CCc2ccccc2)c2ccccc2O)CCOCC1 ZINC000293947332 510907148 /nfs/dbraw/zinc/90/71/48/510907148.db2.gz ZBKRTZMNOPTEHY-IBGZPJMESA-N 0 0 368.477 2.938 20 10 FFCDRN CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1(C)C ZINC000275650682 510908240 /nfs/dbraw/zinc/90/82/40/510908240.db2.gz LMYLRTWJXYFCPN-PXNSSMCTSA-N 0 0 365.493 2.821 20 10 FFCDRN Cc1c(Cl)cncc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000297341067 510910232 /nfs/dbraw/zinc/91/02/32/510910232.db2.gz JWOZWFUASJISLU-UHFFFAOYSA-N 0 0 373.840 2.883 20 10 FFCDRN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000282285601 510914601 /nfs/dbraw/zinc/91/46/01/510914601.db2.gz BPTCOFPMWBWFMY-GOSISDBHSA-N 0 0 353.470 2.897 20 10 FFCDRN COc1ncccc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000275739319 510914951 /nfs/dbraw/zinc/91/49/51/510914951.db2.gz BQUFMZMAHJUJDT-UHFFFAOYSA-N 0 0 368.437 2.834 20 10 FFCDRN Cc1nccn1CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000297364727 510918291 /nfs/dbraw/zinc/91/82/91/510918291.db2.gz ISLDCCVTJLMJTF-CQSZACIVSA-N 0 0 364.396 2.578 20 10 FFCDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCc2cccc(OC)c2O)c1 ZINC000276435963 510939020 /nfs/dbraw/zinc/93/90/20/510939020.db2.gz GNJIYRVAXSFDNI-ZBFHGGJFSA-N 0 0 357.406 2.838 20 10 FFCDRN CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000276614089 510943189 /nfs/dbraw/zinc/94/31/89/510943189.db2.gz ZOSWOISHBMQPLW-JTQLQIEISA-N 0 0 365.411 2.827 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1N1CCCC1=O ZINC000276588429 510943248 /nfs/dbraw/zinc/94/32/48/510943248.db2.gz VYXXGBYJQMSHFW-ZDUSSCGKSA-N 0 0 369.421 2.977 20 10 FFCDRN C[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863356 510948548 /nfs/dbraw/zinc/94/85/48/510948548.db2.gz CXPAHJXESJQDLV-RMLUDKJBSA-N 0 0 365.302 2.505 20 10 FFCDRN CC(C)S(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(F)c(F)c2[O-])CC1 ZINC000276928873 510950191 /nfs/dbraw/zinc/95/01/91/510950191.db2.gz NVLLWAYBXHGXSB-LLVKDONJSA-N 0 0 362.442 2.524 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnns3)cc2F)C[C@H](C)O1 ZINC000277160273 510955515 /nfs/dbraw/zinc/95/55/15/510955515.db2.gz XGEOEOCNNBYQPF-PHIMTYICSA-N 0 0 365.434 2.613 20 10 FFCDRN COc1cc(C(=O)NCc2c(O)ccc3c2CCCC3)cc(OC)c1O ZINC000270702716 510956867 /nfs/dbraw/zinc/95/68/67/510956867.db2.gz CGBKNHMLXTULKS-UHFFFAOYSA-N 0 0 357.406 2.924 20 10 FFCDRN Cc1nn(C)cc1[C@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000277392225 510962002 /nfs/dbraw/zinc/96/20/02/510962002.db2.gz JENQYACEQHDEBB-VIFPVBQESA-N 0 0 367.247 2.757 20 10 FFCDRN Cc1csc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1 ZINC000277498637 510964778 /nfs/dbraw/zinc/96/47/78/510964778.db2.gz TVGDKQRBELCNAT-UHFFFAOYSA-N 0 0 351.815 2.775 20 10 FFCDRN Cc1nnc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)s1 ZINC000277593173 510967487 /nfs/dbraw/zinc/96/74/87/510967487.db2.gz GWEURKMJQUBDER-QMMMGPOBSA-N 0 0 366.830 2.731 20 10 FFCDRN Cc1cnccc1CCNC(=O)NCc1cccc(Br)c1O ZINC000277832508 510973748 /nfs/dbraw/zinc/97/37/48/510973748.db2.gz 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ZINC000278631969 511001659 /nfs/dbraw/zinc/00/16/59/511001659.db2.gz HBPIYTXRIHMKHH-CQSZACIVSA-N 0 0 351.428 2.763 20 10 FFCDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000278737694 511006289 /nfs/dbraw/zinc/00/62/89/511006289.db2.gz SSYYDFROIQYWPR-UHFFFAOYSA-N 0 0 354.454 2.832 20 10 FFCDRN COCc1ncc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000285852026 511015223 /nfs/dbraw/zinc/01/52/23/511015223.db2.gz ULLVBVQQHBYWTN-CQSZACIVSA-N 0 0 362.451 2.817 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1nc2c(s1)CCCCCC2 ZINC000279053133 511018575 /nfs/dbraw/zinc/01/85/75/511018575.db2.gz KROXVTBTBJOICS-UHFFFAOYSA-N 0 0 359.451 2.763 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@](O)(C(F)(F)F)CC2)cc1OC ZINC000286200799 511021108 /nfs/dbraw/zinc/02/11/08/511021108.db2.gz AZUQEYHXTGPYRI-CQSZACIVSA-N 0 0 364.320 2.896 20 10 FFCDRN CC[C@H](COCC(F)(F)F)NC(=O)NCc1cccc(OC)c1O ZINC000297710294 511042004 /nfs/dbraw/zinc/04/20/04/511042004.db2.gz RSULOZLCPMAJHZ-LLVKDONJSA-N 0 0 350.337 2.558 20 10 FFCDRN COc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000287296487 511045959 /nfs/dbraw/zinc/04/59/59/511045959.db2.gz KJRGSODLHWTLPK-UHFFFAOYSA-N 0 0 356.426 2.591 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCCCSC ZINC000287958698 511061281 /nfs/dbraw/zinc/06/12/81/511061281.db2.gz UVSOBKYGUORDIB-UHFFFAOYSA-N 0 0 352.500 2.780 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc2n(n1)CCCC2 ZINC000288484073 511077349 /nfs/dbraw/zinc/07/73/49/511077349.db2.gz RRFKEFDZUFDJAY-UHFFFAOYSA-N 0 0 370.453 2.692 20 10 FFCDRN CC(=O)C(=O)CSc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 ZINC000289513515 511103176 /nfs/dbraw/zinc/10/31/76/511103176.db2.gz COFALUUSOWWZPB-UHFFFAOYSA-N 0 0 358.467 2.816 20 10 FFCDRN CCn1c(SCC(=O)C(C)=O)nc2sc3c(c2c1=O)CC[C@H](C)C3 ZINC000289581892 511105668 /nfs/dbraw/zinc/10/56/68/511105668.db2.gz ITIGZPBIDQUXLE-VIFPVBQESA-N 0 0 364.492 2.853 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cnn4c3CCC4)cc2F)C[C@H](C)O1 ZINC000294573802 511107961 /nfs/dbraw/zinc/10/79/61/511107961.db2.gz UQQLJEDPFBJMJN-OKILXGFUSA-N 0 0 372.444 2.512 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(CO)CC2(CCC2)C1 ZINC000279610358 511145669 /nfs/dbraw/zinc/14/56/69/511145669.db2.gz WXWSRIQJUSWUIU-UHFFFAOYSA-N 0 0 355.482 2.805 20 10 FFCDRN COc1ccc(O)c([C@H](C)Nc2cccc(CN3CCNC(=O)C3)c2)c1 ZINC000291272477 511164566 /nfs/dbraw/zinc/16/45/66/511164566.db2.gz UBWZVDMWCDIMDI-AWEZNQCLSA-N 0 0 355.438 2.506 20 10 FFCDRN Cc1cccc(NC[C@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000364985117 511191490 /nfs/dbraw/zinc/19/14/90/511191490.db2.gz IMRNFFXIMDAADS-XAVKZTDYSA-N 0 0 353.422 2.918 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000279759404 511204557 /nfs/dbraw/zinc/20/45/57/511204557.db2.gz PEZCKNZRHZGILK-SUMWQHHRSA-N 0 0 357.406 2.627 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000294950444 511231495 /nfs/dbraw/zinc/23/14/95/511231495.db2.gz SAQZHMRCGOHRKV-BAMLEVKUSA-N 0 0 368.477 2.706 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000294950451 511232829 /nfs/dbraw/zinc/23/28/29/511232829.db2.gz SAQZHMRCGOHRKV-LUNUIEGCSA-N 0 0 368.477 2.706 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Nc2ncnn2C)cc1 ZINC000271534293 511236314 /nfs/dbraw/zinc/23/63/14/511236314.db2.gz LHHDGMXTGGVGHW-UHFFFAOYSA-N 0 0 354.414 2.708 20 10 FFCDRN COc1c(O)c(CNc2cccc(-c3ncn(C)n3)c2)ccc1[N+](=O)[O-] ZINC000365125245 511272729 /nfs/dbraw/zinc/27/27/29/511272729.db2.gz ZJDGIOPCNKFADW-UHFFFAOYSA-N 0 0 355.354 2.717 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(N2CCCC2=O)c1 ZINC000280056730 511319744 /nfs/dbraw/zinc/31/97/44/511319744.db2.gz APBAPFPWUMPAHJ-CQSZACIVSA-N 0 0 368.433 2.515 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2scc(C)n2c1=O ZINC000271874906 511354450 /nfs/dbraw/zinc/35/44/50/511354450.db2.gz PGTLGDMDNGTTGQ-UHFFFAOYSA-N 0 0 357.435 2.822 20 10 FFCDRN COC(=O)c1cnc(S[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)s1 ZINC000295303212 511355539 /nfs/dbraw/zinc/35/55/39/511355539.db2.gz MNAATHRXQDXAHX-LLVKDONJSA-N 0 0 372.468 2.600 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](COC)[C@H]1CCCO1 ZINC000283425499 511362754 /nfs/dbraw/zinc/36/27/54/511362754.db2.gz RYEHAFFRKBZBEY-SJLPKXTDSA-N 0 0 350.459 2.898 20 10 FFCDRN COCC1(CNC(=O)NCc2c(O)ccc3c2CCCC3)CCOCC1 ZINC000291870902 511372878 /nfs/dbraw/zinc/37/28/78/511372878.db2.gz GBAVJXGFFBRUQU-UHFFFAOYSA-N 0 0 362.470 2.513 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)Nc2ccnn2C2CCCC2)s1 ZINC000295418407 511398653 /nfs/dbraw/zinc/39/86/53/511398653.db2.gz XZFRTLHPGMTLBO-UHFFFAOYSA-N 0 0 366.468 2.972 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)Nc2ccc(OC)cc2OC)s1 ZINC000295424578 511401704 /nfs/dbraw/zinc/40/17/04/511401704.db2.gz YOZUUJBZZCJTJR-UHFFFAOYSA-N 0 0 368.436 2.678 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCCC(=O)N2CCCCC2)C2CC2)cc1 ZINC000298879112 511439740 /nfs/dbraw/zinc/43/97/40/511439740.db2.gz JMXAPQYPJWOUSN-UHFFFAOYSA-N 0 0 372.513 2.829 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@@H]2COC3(CCC(C)CC3)O2)c1O ZINC000272136402 511443363 /nfs/dbraw/zinc/44/33/63/511443363.db2.gz SZRUJHDSYCYYJY-SHBDPFAUSA-N 0 0 364.442 2.522 20 10 FFCDRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1ccc(O)c(O)c1 ZINC000292070987 511454367 /nfs/dbraw/zinc/45/43/67/511454367.db2.gz HAKHFKZIUZBJBN-UHFFFAOYSA-N 0 0 363.723 2.591 20 10 FFCDRN CCC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC000272206146 511465784 /nfs/dbraw/zinc/46/57/84/511465784.db2.gz BIGFLIXOJHQJTA-GOSISDBHSA-N 0 0 352.431 2.798 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](C)CN1CCOCC1 ZINC000283715751 511473053 /nfs/dbraw/zinc/47/30/53/511473053.db2.gz UOAGEVWOWARNRF-QGZVFWFLSA-N 0 0 363.502 2.672 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@H](C3N=NC(=S)N3C3CC3)C2)c(O)c1O ZINC000272777655 511506643 /nfs/dbraw/zinc/50/66/43/511506643.db2.gz UHHPBVWVBLJHTF-NSHDSACASA-N 0 0 374.466 2.641 20 10 FFCDRN CO[C@H](C)CCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272754637 511506859 /nfs/dbraw/zinc/50/68/59/511506859.db2.gz NFXMZCUREUGLDN-ILXRZTDVSA-N 0 0 352.450 2.871 20 10 FFCDRN COc1ccc(OC)c(CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273230737 511520919 /nfs/dbraw/zinc/52/09/19/511520919.db2.gz WZRMDMASFUOMKH-CYBMUJFWSA-N 0 0 359.422 2.795 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CCO)c2ccc(OC)cc2)c1 ZINC000273353008 511523568 /nfs/dbraw/zinc/52/35/68/511523568.db2.gz CCNWSWFOKDTEON-FZKQIMNGSA-N 0 0 359.422 2.962 20 10 FFCDRN CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273402569 511524827 /nfs/dbraw/zinc/52/48/27/511524827.db2.gz NMXDXLIKEGESIG-CYBMUJFWSA-N 0 0 356.422 2.779 20 10 FFCDRN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(O)c1C ZINC000273446612 511526103 /nfs/dbraw/zinc/52/61/03/511526103.db2.gz FELBADIINIAQTB-UONOGXRCSA-N 0 0 369.508 2.556 20 10 FFCDRN Cc1nnc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000273456918 511526283 /nfs/dbraw/zinc/52/62/83/511526283.db2.gz MAROYSKNSWHIKD-PHIMTYICSA-N 0 0 364.446 2.529 20 10 FFCDRN CCCc1nc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)co1 ZINC000273442443 511526568 /nfs/dbraw/zinc/52/65/68/511526568.db2.gz BHOARYLJWCDLMU-UHFFFAOYSA-N 0 0 357.454 2.766 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273551294 511530507 /nfs/dbraw/zinc/53/05/07/511530507.db2.gz GBNQVCKTOAETAS-ZDUSSCGKSA-N 0 0 368.433 2.922 20 10 FFCDRN C[C@@H]1C[C@@H](CCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1 ZINC000273529025 511531107 /nfs/dbraw/zinc/53/11/07/511531107.db2.gz KFUCBIKKQXDBDW-GBTYCOPGSA-N 0 0 358.482 2.858 20 10 FFCDRN CCc1nnc(C)cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000273562663 511534212 /nfs/dbraw/zinc/53/42/12/511534212.db2.gz CFXHYVHTTKTWOZ-MRXNPFEDSA-N 0 0 355.438 2.874 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000273572520 511537886 /nfs/dbraw/zinc/53/78/86/511537886.db2.gz KYNYNAGMYBYRES-AWEZNQCLSA-N 0 0 362.470 2.867 20 10 FFCDRN CCN(CCOC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000299169161 511538572 /nfs/dbraw/zinc/53/85/72/511538572.db2.gz INTQOYUKXSMHIS-GASCZTMLSA-N 0 0 367.465 2.617 20 10 FFCDRN Cc1nc(C2CC2)oc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000273607296 511549000 /nfs/dbraw/zinc/54/90/00/511549000.db2.gz MUQWSVNEZBYHDF-UHFFFAOYSA-N 0 0 369.465 2.999 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCc2occc21 ZINC000283970505 511561843 /nfs/dbraw/zinc/56/18/43/511561843.db2.gz GOOGUWCXJRMJQU-INIZCTEOSA-N 0 0 356.422 2.918 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)Nc2nc3ccccn3n2)C2CC2)cc1 ZINC000273647115 511562532 /nfs/dbraw/zinc/56/25/32/511562532.db2.gz WOEUYCJOXJFFNC-UHFFFAOYSA-N 0 0 350.426 2.992 20 10 FFCDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299355612 511605866 /nfs/dbraw/zinc/60/58/66/511605866.db2.gz ONMUTWSAHLSZLX-UHFFFAOYSA-N 0 0 359.430 2.603 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccn(CCn2cccn2)n1 ZINC000296060172 511607032 /nfs/dbraw/zinc/60/70/32/511607032.db2.gz PAYXABGSDCTXON-UHFFFAOYSA-N 0 0 367.453 2.928 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccn(C(C)C)n1 ZINC000280801060 511608358 /nfs/dbraw/zinc/60/83/58/511608358.db2.gz SDQQTYKXFMLDGT-UHFFFAOYSA-N 0 0 357.458 2.517 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCc2ccsc2)C2CC2)cc1 ZINC000284138278 511618802 /nfs/dbraw/zinc/61/88/02/511618802.db2.gz WIUQRYJPBYNEDY-UHFFFAOYSA-N 0 0 357.479 2.622 20 10 FFCDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2cccc(OC)c2O)cc1 ZINC000280846404 511625531 /nfs/dbraw/zinc/62/55/31/511625531.db2.gz YYUJBLCBLNOOSM-CYBMUJFWSA-N 0 0 372.421 2.694 20 10 FFCDRN COc1ccc2c(c1)OCC[C@H]2NC(=O)NCc1cccc(OC)c1O ZINC000363558491 511627820 /nfs/dbraw/zinc/62/78/20/511627820.db2.gz SBEVTGFTQPNZBA-OAHLLOKOSA-N 0 0 358.394 2.732 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cc4c([nH]c3=O)CCCC4=O)ccc21 ZINC000299420966 511630062 /nfs/dbraw/zinc/63/00/62/511630062.db2.gz FKZGEWXPLJMWQA-UHFFFAOYSA-N 0 0 365.433 2.619 20 10 FFCDRN C[C@H](SCC(=O)NCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000280857494 511631401 /nfs/dbraw/zinc/63/14/01/511631401.db2.gz BZMLUVFEOVNCLU-ZDUSSCGKSA-N 0 0 352.500 2.832 20 10 FFCDRN Cc1n[nH]c(C)c1[C@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299704548 511667338 /nfs/dbraw/zinc/66/73/38/511667338.db2.gz PLQASOAMEPKSCW-GOSISDBHSA-N 0 0 355.486 2.546 20 10 FFCDRN COc1cc(N2CCN(C(=O)C[C@@H](C)SC)CC2)cc(OC)c1OC ZINC000274013571 511693560 /nfs/dbraw/zinc/69/35/60/511693560.db2.gz QUIPJRNGCRVGPB-CYBMUJFWSA-N 0 0 368.499 2.503 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](O)Cc1cccc(F)c1 ZINC000296324488 511699709 /nfs/dbraw/zinc/69/97/09/511699709.db2.gz HAYQHODXTCYFPH-HXUWFJFHSA-N 0 0 369.440 2.605 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](Cc4ccccc4)C3)cc2N1 ZINC000301712086 511701415 /nfs/dbraw/zinc/70/14/15/511701415.db2.gz YGMJYLFYTLTAEP-AWEZNQCLSA-N 0 0 353.378 2.995 20 10 FFCDRN Cc1cc(N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)n2ncnc2n1 ZINC000301872719 511703259 /nfs/dbraw/zinc/70/32/59/511703259.db2.gz XHSNKDVFBZVIAI-GOSISDBHSA-N 0 0 366.469 2.684 20 10 FFCDRN CC(C)Oc1nccnc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000302044480 511704966 /nfs/dbraw/zinc/70/49/66/511704966.db2.gz SVANUSQGCSANJL-UHFFFAOYSA-N 0 0 360.433 2.976 20 10 FFCDRN COc1ccc(N2CCN(Cc3nn(C)cc3Br)CC2)cc1 ZINC000292757775 511709172 /nfs/dbraw/zinc/70/91/72/511709172.db2.gz XJHGIYUZDCNOGE-UHFFFAOYSA-N 0 0 365.275 2.513 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](CC(C)(C)C(N)=O)C2)cc1 ZINC000296361935 511714202 /nfs/dbraw/zinc/71/42/02/511714202.db2.gz NPTQJGDVGMZQEW-INIZCTEOSA-N 0 0 360.502 2.576 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccccc2OCCF)cc1 ZINC000296438220 511743753 /nfs/dbraw/zinc/74/37/53/511743753.db2.gz FBJPAWJFYGSUAF-UHFFFAOYSA-N 0 0 373.428 2.698 20 10 FFCDRN CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000296483909 511762237 /nfs/dbraw/zinc/76/22/37/511762237.db2.gz OISNYXTUZDOKAO-BZQUYTCOSA-N 0 0 367.511 2.846 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1 ZINC000296518235 511777655 /nfs/dbraw/zinc/77/76/55/511777655.db2.gz ZVUQCXQZXUJVSK-IEBWSBKVSA-N 0 0 354.454 2.867 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000296555396 511796043 /nfs/dbraw/zinc/79/60/43/511796043.db2.gz WKSDLZPGEBLOKU-TZIWHRDSSA-N 0 0 353.466 2.916 20 10 FFCDRN CC(=O)c1cc(F)cc(C[N@@H+](C)C2CCN(c3cnccn3)CC2)c1[O-] ZINC000366102838 511840386 /nfs/dbraw/zinc/84/03/86/511840386.db2.gz HIFQJWAPOCCDPA-UHFFFAOYSA-N 0 0 358.417 2.625 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc2c(n1)CCC2 ZINC000296755671 511884278 /nfs/dbraw/zinc/88/42/78/511884278.db2.gz DMQYYLWYEBQHQS-UHFFFAOYSA-N 0 0 352.438 2.729 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c(O)c1 ZINC000366255163 511925266 /nfs/dbraw/zinc/92/52/66/511925266.db2.gz RNPZEPKLXGHZSE-UHFFFAOYSA-N 0 0 370.384 2.725 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC(CF)CC1 ZINC000296957476 511965522 /nfs/dbraw/zinc/96/55/22/511965522.db2.gz AWRKLBDZKUEEMX-UHFFFAOYSA-N 0 0 367.440 2.678 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3nnc4n3CCC4)c2C)cc1 ZINC000296967747 511970222 /nfs/dbraw/zinc/97/02/22/511970222.db2.gz OLQUVIXOHRYRRV-UHFFFAOYSA-N 0 0 365.437 2.570 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1([S@@](C)=O)CC1 ZINC000281895696 512003694 /nfs/dbraw/zinc/00/36/94/512003694.db2.gz HKOCAGJJYZHKMG-RUZDIDTESA-N 0 0 363.527 2.729 20 10 FFCDRN CCc1ccc(CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000285118112 512006185 /nfs/dbraw/zinc/00/61/85/512006185.db2.gz KZNBNQXDWZKCQH-UHFFFAOYSA-N 0 0 359.495 2.651 20 10 FFCDRN Cc1cnn(C)c1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000285174389 512026163 /nfs/dbraw/zinc/02/61/63/512026163.db2.gz QOMRRGMXSQPUQU-UHFFFAOYSA-N 0 0 362.499 2.540 20 10 FFCDRN COc1cc(Cl)cc(CN2CCNC(=O)[C@H]2c2cccs2)c1O ZINC000359956284 512057719 /nfs/dbraw/zinc/05/77/19/512057719.db2.gz DJUABRZWEUMMLX-CQSZACIVSA-N 0 0 352.843 2.789 20 10 FFCDRN Fc1cc(CN[C@@H](c2cccs2)c2nc[nH]n2)ccc1N1CCOCC1 ZINC000293714718 512061050 /nfs/dbraw/zinc/06/10/50/512061050.db2.gz MDVRPCIYYXIXGV-KRWDZBQOSA-N 0 0 373.457 2.721 20 10 FFCDRN CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000360023056 512064205 /nfs/dbraw/zinc/06/42/05/512064205.db2.gz 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ZINC000376778195 512984206 /nfs/dbraw/zinc/98/42/06/512984206.db2.gz NKGUJUPUZKFICK-CYBMUJFWSA-N 0 0 371.428 2.933 20 10 FFCDRN CCc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)s1 ZINC000409513842 513116542 /nfs/dbraw/zinc/11/65/42/513116542.db2.gz ODPFBYLRXRKLSF-UHFFFAOYSA-N 0 0 352.481 2.964 20 10 FFCDRN CC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)o1 ZINC000446090516 513183536 /nfs/dbraw/zinc/18/35/36/513183536.db2.gz KYVOCKTYKGTSLC-UHFFFAOYSA-N 0 0 354.387 2.951 20 10 FFCDRN CNC(=O)c1cccc(OCC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471237923 514809207 /nfs/dbraw/zinc/80/92/07/514809207.db2.gz PURPDSGBIYXEMS-UHFFFAOYSA-N 0 0 365.433 2.542 20 10 FFCDRN COc1c(CNC(=O)NCc2c(C)c3ccccc3n2C)c(C)nn1C ZINC000472170503 515155603 /nfs/dbraw/zinc/15/56/03/515155603.db2.gz AKVPCEVMDZIYAD-UHFFFAOYSA-N 0 0 355.442 2.537 20 10 FFCDRN CC[C@@H](NC(=O)NCc1c(C)c2ccccc2n1C)[C@@H](O)C(F)(F)F ZINC000472236426 515180341 /nfs/dbraw/zinc/18/03/41/515180341.db2.gz DTNHOFLKHPVHTP-IUODEOHRSA-N 0 0 357.376 2.988 20 10 FFCDRN Cn1cnc(-c2ccc(NC(=O)c3ccc(C4=S=CC=C4)o3)cc2)n1 ZINC000544345651 516713787 /nfs/dbraw/zinc/71/37/87/516713787.db2.gz UNVSFVJRFXZFED-UHFFFAOYSA-N 0 0 350.403 2.953 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000525216812 516965850 /nfs/dbraw/zinc/96/58/50/516965850.db2.gz SHBUCVFGOXQLSG-OAHLLOKOSA-N 0 0 371.481 2.659 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H](C)CCc1ccco1 ZINC000555714922 517082074 /nfs/dbraw/zinc/08/20/74/517082074.db2.gz WTPXQGYQVITTEI-AWEZNQCLSA-N 0 0 367.449 2.833 20 10 FFCDRN Cc1ccc2ncc(/C=C3\CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)n2c1 ZINC000533254940 517366975 /nfs/dbraw/zinc/36/69/75/517366975.db2.gz IZETYIFSWORVPH-MDWZMJQESA-N 0 0 372.384 2.995 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCc1cc(F)cc(F)c1 ZINC000562777488 517389335 /nfs/dbraw/zinc/38/93/35/517389335.db2.gz OXTVHHQQNJDEFD-UHFFFAOYSA-N 0 0 371.387 2.698 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000530207283 517630303 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COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@@H](C)n4ncnc43)ccc21 ZINC000617437085 520497605 /nfs/dbraw/zinc/49/76/05/520497605.db2.gz GOQAXQMJOONWAN-PXAZEXFGSA-N 0 0 367.453 2.932 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@]3(O)C[C@H]3C2)CCCC1 ZINC000618760809 521218204 /nfs/dbraw/zinc/21/82/04/521218204.db2.gz REPZQFORULXJNY-LHSJRXKWSA-N 0 0 354.450 2.512 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000625916014 521782654 /nfs/dbraw/zinc/78/26/54/521782654.db2.gz HAONYOFGYGUQKI-AWEZNQCLSA-N 0 0 356.397 2.868 20 10 FFCDRN CCn1nnc(C)c1CNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000627873203 523172053 /nfs/dbraw/zinc/17/20/53/523172053.db2.gz LVCCOXLGUYZPSZ-UHFFFAOYSA-N 0 0 369.469 2.754 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000009859796 536676303 /nfs/dbraw/zinc/67/63/03/536676303.db2.gz GIBNRGPRWCVQET-UHFFFAOYSA-N 0 0 367.449 2.599 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234955 598612081 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COc1ccc(O)c([C@H](C)NC(=O)c2ccc(OCC(F)F)nc2)c1 ZINC000153863667 728790015 /nfs/dbraw/zinc/79/00/15/728790015.db2.gz MFCACXJZRZMFKJ-JTQLQIEISA-N 0 0 352.337 2.931 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)cc(Cl)c2)cc1F ZINC000155722280 728835080 /nfs/dbraw/zinc/83/50/80/728835080.db2.gz GWBAFZIKSBIHLU-UHFFFAOYSA-N 0 0 367.783 2.939 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000158222382 728884557 /nfs/dbraw/zinc/88/45/57/728884557.db2.gz IMZBQSRLVNMCCS-LJQANCHMSA-N 0 0 361.511 2.562 20 10 FFCDRN O=C(NCCc1cscn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000159471115 728907805 /nfs/dbraw/zinc/90/78/05/728907805.db2.gz PSNAKNFWAMHTQK-INIZCTEOSA-N 0 0 361.467 2.782 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159837359 728913245 /nfs/dbraw/zinc/91/32/45/728913245.db2.gz XXSRNYNZFLZVBX-UPJWGTAASA-N 0 0 353.513 2.882 20 10 FFCDRN COC[C@@H](O)CCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000161141700 728929281 /nfs/dbraw/zinc/92/92/81/728929281.db2.gz 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O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1cccc(F)c1 ZINC000056102008 728100660 /nfs/dbraw/zinc/10/06/60/728100660.db2.gz TVPWUEJNQHQLOV-UHFFFAOYSA-N 0 0 366.483 2.857 20 10 FFCDRN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(C)c2)cc1 ZINC000063849066 728138878 /nfs/dbraw/zinc/13/88/78/728138878.db2.gz ALAZBBWJIALAIO-UHFFFAOYSA-N 0 0 368.480 2.948 20 10 FFCDRN CCS(=O)(=O)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000067299357 728181910 /nfs/dbraw/zinc/18/19/10/728181910.db2.gz CXDDBAHORZVARU-UHFFFAOYSA-N 0 0 352.500 2.506 20 10 FFCDRN COC(=O)CNC(=O)c1cc(C)n(-c2ccccc2Br)c1C ZINC000075788507 728251952 /nfs/dbraw/zinc/25/19/52/728251952.db2.gz WTXNTTDFZGEGCN-UHFFFAOYSA-N 0 0 365.227 2.759 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N(C(C)C)C(C)C)CC2)cc1F ZINC000084866875 728426536 /nfs/dbraw/zinc/42/65/36/728426536.db2.gz DGHSWFPPTWIXKU-UHFFFAOYSA-N 0 0 351.466 2.602 20 10 FFCDRN CCOc1cccc(CN2CCN(CC(F)(F)C(F)F)CC2)c1O ZINC000093416511 728475929 /nfs/dbraw/zinc/47/59/29/728475929.db2.gz MLXYSRZJBQTCER-UHFFFAOYSA-N 0 0 350.356 2.809 20 10 FFCDRN Cc1nc(C)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000098093783 728484443 /nfs/dbraw/zinc/48/44/43/728484443.db2.gz CQVVFSKEPDGTTP-UHFFFAOYSA-N 0 0 359.495 2.899 20 10 FFCDRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)c(O)c1O ZINC000110001466 728529884 /nfs/dbraw/zinc/52/98/84/728529884.db2.gz JCIBOWZVFDYTNF-UHFFFAOYSA-N 0 0 353.733 2.994 20 10 FFCDRN COCCCS(=O)(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000111334078 728535839 /nfs/dbraw/zinc/53/58/39/728535839.db2.gz CKFJWFHDFHLHOJ-UHFFFAOYSA-N 0 0 354.516 2.911 20 10 FFCDRN O=C(NCCCSc1nccs1)c1ccc(C(=O)NC2CC2)cc1 ZINC000120973814 728618322 /nfs/dbraw/zinc/61/83/22/728618322.db2.gz GUBIWHPUNUKZPB-UHFFFAOYSA-N 0 0 361.492 2.948 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]([C@@H](C)O)C2)cc1F ZINC000121843256 728640272 /nfs/dbraw/zinc/64/02/72/728640272.db2.gz ROARGEPBNVHRNM-ZBFHGGJFSA-N 0 0 351.466 2.974 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCC[C@@H](C)[S@](C)=O)cc1F ZINC000122690177 728650452 /nfs/dbraw/zinc/65/04/52/728650452.db2.gz BPFHSJVKQZSIFP-YEBMWUKDSA-N 0 0 357.495 2.628 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCOC2(CCC2)C1 ZINC000125939394 728689891 /nfs/dbraw/zinc/68/98/91/728689891.db2.gz FZEIVWKFOYNPIY-UHFFFAOYSA-N 0 0 361.511 2.704 20 10 FFCDRN Cc1cc(C(=O)N(C)CCO)c(C)n1-c1ccccc1Br ZINC000126378511 728700511 /nfs/dbraw/zinc/70/05/11/728700511.db2.gz FYAGWPAYDJUCGI-UHFFFAOYSA-N 0 0 351.244 2.921 20 10 FFCDRN CCC[C@@](C)(O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000126973800 728705155 /nfs/dbraw/zinc/70/51/55/728705155.db2.gz OFXBUAXKBDUFDZ-SCLBCKFNSA-N 0 0 356.413 2.924 20 10 FFCDRN CC(C)(C)C(=O)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000128277845 728708447 /nfs/dbraw/zinc/70/84/47/728708447.db2.gz HWJSXPHCXXDXOU-UHFFFAOYSA-N 0 0 355.276 2.845 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cnc1Cl ZINC000129419498 728711508 /nfs/dbraw/zinc/71/15/08/728711508.db2.gz FIPFZMQRPAUCDF-UHFFFAOYSA-N 0 0 360.845 2.673 20 10 FFCDRN COc1ccc(N2CCN(Cn3cc(Br)cn3)CC2)cc1F ZINC000132808538 728725411 /nfs/dbraw/zinc/72/54/11/728725411.db2.gz GIGCUHYNDQNIPB-UHFFFAOYSA-N 0 0 369.238 2.573 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000134611180 728731432 /nfs/dbraw/zinc/73/14/32/728731432.db2.gz VGEXZFWESXJRFD-SECBINFHSA-N 0 0 366.776 2.576 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cn(C(C)C)cn1 ZINC000151643662 728746260 /nfs/dbraw/zinc/74/62/60/728746260.db2.gz ZYVYMJBCOYMVKK-UHFFFAOYSA-N 0 0 350.488 2.741 20 10 FFCDRN CC(C)[C@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000170903080 728991574 /nfs/dbraw/zinc/99/15/74/728991574.db2.gz JPGDSMWYKJPGEU-QWHCGFSZSA-N 0 0 354.472 2.708 20 10 FFCDRN CC(C)[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000170903072 728991626 /nfs/dbraw/zinc/99/16/26/728991626.db2.gz JPGDSMWYKJPGEU-OLZOCXBDSA-N 0 0 354.472 2.708 20 10 FFCDRN COc1cccc(CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000171952456 729016309 /nfs/dbraw/zinc/01/63/09/729016309.db2.gz VDYLUQBCXMMKQA-UHFFFAOYSA-N 0 0 360.479 2.915 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)c1O ZINC000176853858 729122218 /nfs/dbraw/zinc/12/22/18/729122218.db2.gz JLGXNAIGYVAXIR-UHFFFAOYSA-N 0 0 370.739 2.587 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000183432849 729303992 /nfs/dbraw/zinc/30/39/92/729303992.db2.gz XNMVICSGWZGLCK-ZDUSSCGKSA-N 0 0 356.447 2.950 20 10 FFCDRN O=C(CSc1nnc2ccccn21)NCCCSc1nccs1 ZINC000183582890 729307988 /nfs/dbraw/zinc/30/79/88/729307988.db2.gz FBXHYZZNNYWICT-UHFFFAOYSA-N 0 0 365.509 2.577 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(OC(F)F)n(C)n2)cc1 ZINC000185209485 729344436 /nfs/dbraw/zinc/34/44/36/729344436.db2.gz TZPCQKKKSQWRMW-UHFFFAOYSA-N 0 0 352.385 2.798 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3c(C)cccc3F)CC2)cc1 ZINC000186019876 729359374 /nfs/dbraw/zinc/35/93/74/729359374.db2.gz YEBDVUVNDJGDHP-UHFFFAOYSA-N 0 0 364.442 2.654 20 10 FFCDRN Cc1ccc(C[C@@H](CO)NC(=O)NCCCSc2nccs2)cc1 ZINC000190249168 729406173 /nfs/dbraw/zinc/40/61/73/729406173.db2.gz WBSXPMFOMNWKBZ-HNNXBMFYSA-N 0 0 365.524 2.837 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCSc3ccccn3)CC2)cc1 ZINC000193693848 729487059 /nfs/dbraw/zinc/48/70/59/729487059.db2.gz CAOSZDXOFGBNNH-UHFFFAOYSA-N 0 0 357.479 2.921 20 10 FFCDRN Cn1cc(-c2nnc(NCc3cccc(Br)c3O)o2)cn1 ZINC000195020120 729527102 /nfs/dbraw/zinc/52/71/02/729527102.db2.gz JEFOLIMKPDFFIO-UHFFFAOYSA-N 0 0 350.176 2.550 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000246246724 729583193 /nfs/dbraw/zinc/58/31/93/729583193.db2.gz XXSRNYNZFLZVBX-JHJVBQTASA-N 0 0 353.513 2.882 20 10 FFCDRN O=C(NCC[C@@H]1CC1(Cl)Cl)NCc1ccc(N2CCOCC2)cc1 ZINC000856827103 730360676 /nfs/dbraw/zinc/36/06/76/730360676.db2.gz OZRUDSXMQJBNED-CQSZACIVSA-N 0 0 372.296 2.906 20 10 FFCDRN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000857865505 730413121 /nfs/dbraw/zinc/41/31/21/730413121.db2.gz NATUBKHHYZORHF-RNCFNFMXSA-N 0 0 364.243 2.860 20 10 FFCDRN O=Cc1ccc(CC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000858590300 730429365 /nfs/dbraw/zinc/42/93/65/730429365.db2.gz RTKNPPNWZNBZNL-UHFFFAOYSA-N 0 0 354.475 2.911 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@H](n2cccn2)C(F)(F)F)cc1 ZINC000858678332 730431383 /nfs/dbraw/zinc/43/13/83/730431383.db2.gz VRFLFCSTBXTUTE-AWEZNQCLSA-N 0 0 355.364 2.552 20 10 FFCDRN C[C@H](NC(=O)[C@H]1C[C@]1(C)Br)c1ccc(N2CCOCC2)cc1 ZINC000858786033 730433769 /nfs/dbraw/zinc/43/37/69/730433769.db2.gz MDMQMFNMLUHFEF-MJEQTWJJSA-N 0 0 367.287 2.874 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)[C@@H]3COC(C)(C)C3)cc2)CC1 ZINC000858960255 730438095 /nfs/dbraw/zinc/43/80/95/730438095.db2.gz AFKZFVGCOBAKLE-SFHVURJKSA-N 0 0 366.527 2.910 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cncc(OC(C)C)c2)c1 ZINC000859006366 730439312 /nfs/dbraw/zinc/43/93/12/730439312.db2.gz GQGPCYJFZPPYPQ-GFCCVEGCSA-N 0 0 366.439 2.623 20 10 FFCDRN CS[C@H](CO)[C@@H](C)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000860162389 730482583 /nfs/dbraw/zinc/48/25/83/730482583.db2.gz NSDYWEAFXKDZHP-FZKQIMNGSA-N 0 0 360.479 2.749 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000860606117 730529495 /nfs/dbraw/zinc/52/94/95/730529495.db2.gz SKCFUXIUVLARIZ-UWCDFFNFSA-N 0 0 369.845 2.607 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cn1ccc(C(F)F)n1 ZINC000862002112 730660488 /nfs/dbraw/zinc/66/04/88/730660488.db2.gz LOJQEMWWZOZPAO-ZDUSSCGKSA-N 0 0 350.413 2.943 20 10 FFCDRN Oc1cccc(Br)c1CN1CCN(Cc2ccccn2)CC1 ZINC000862216417 730677017 /nfs/dbraw/zinc/67/70/17/730677017.db2.gz IYPNRTJIWVUKKI-UHFFFAOYSA-N 0 0 362.271 2.868 20 10 FFCDRN CC(C)c1nnc2n1CCN(Cc1c(O)cccc1Br)C2 ZINC000862239567 730679906 /nfs/dbraw/zinc/67/99/06/730679906.db2.gz DCYZKBVWGMHLNF-UHFFFAOYSA-N 0 0 351.248 2.885 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCN(C(=O)C3CC3)CC2(C)C)cc1F ZINC000862325608 730687493 /nfs/dbraw/zinc/68/74/93/730687493.db2.gz CTCQQBFNVGLYMH-UHFFFAOYSA-N 0 0 351.441 2.864 20 10 FFCDRN CCOC(=O)[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H](O)c1ccc(Cl)cc1 ZINC000862334001 730689289 /nfs/dbraw/zinc/68/92/89/730689289.db2.gz QSRSPBIMOHFCHX-KBPBESRZSA-N 0 0 369.826 2.502 20 10 FFCDRN Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cccc(Br)c2[O-])n1 ZINC000862433326 730702301 /nfs/dbraw/zinc/70/23/01/730702301.db2.gz VOWOGAPSPKUBKH-UHFFFAOYSA-N 0 0 352.232 2.984 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000862992663 730740440 /nfs/dbraw/zinc/74/04/40/730740440.db2.gz NGHUWSPKOZWUHN-CXAGYDPISA-N 0 0 364.442 2.539 20 10 FFCDRN C[C@H]1CC[C@H](NC(=O)c2cccc(O)c2O)CN1C(=O)OC(C)(C)C ZINC000863024329 730743389 /nfs/dbraw/zinc/74/33/89/730743389.db2.gz NGXCTCARLHFLBV-RYUDHWBXSA-N 0 0 350.415 2.616 20 10 FFCDRN Cc1cc(CNC(=O)C[C@H]2C=CS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000863166580 730753542 /nfs/dbraw/zinc/75/35/42/730753542.db2.gz YNAYNBUNNZWNEW-MRXNPFEDSA-N 0 0 358.463 2.659 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CS[C@@H]3COC(C)(C)C3)CC2)cc1 ZINC000863354890 730771930 /nfs/dbraw/zinc/77/19/30/730771930.db2.gz HMXNTOPUEUPAEF-KRWDZBQOSA-N 0 0 364.511 2.645 20 10 FFCDRN CCCC1=NC(=S)N[C@@H](c2cc(F)c(N(C)C)cc2F)C1C(=O)OC ZINC000863391320 730775625 /nfs/dbraw/zinc/77/56/25/730775625.db2.gz JLBSZQBDTPMSDL-HNNXBMFYSA-N 0 0 369.437 2.777 20 10 FFCDRN CN(C)c1cc(F)c(C[NH2+][C@@H](Cc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000864509976 730855054 /nfs/dbraw/zinc/85/50/54/730855054.db2.gz UBFKVBWMFFTZKU-INIZCTEOSA-N 0 0 352.356 2.955 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cnn(C(F)F)c3)CC2)cc1 ZINC000864949901 730895386 /nfs/dbraw/zinc/89/53/86/730895386.db2.gz PRNCRTFZTGNEMB-UHFFFAOYSA-N 0 0 350.369 2.639 20 10 FFCDRN CCOC(=O)c1ncc(/C=C2/SC(N3CCCCC3)=NC2=O)s1 ZINC000865217437 730924846 /nfs/dbraw/zinc/92/48/46/730924846.db2.gz MBZNOAQYYBGQAV-DHZHZOJOSA-N 0 0 351.453 2.776 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cnn(C(C)C)c2Br)c1 ZINC000866767446 731097147 /nfs/dbraw/zinc/09/71/47/731097147.db2.gz SCMDFNLQOVSSTP-UHFFFAOYSA-N 0 0 368.231 2.871 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N[C@@H]3CCCn4nccc43)cs2)cc1 ZINC000868054049 731255153 /nfs/dbraw/zinc/25/51/53/731255153.db2.gz VNGQDPIDWQYEQF-CQSZACIVSA-N 0 0 353.451 2.778 20 10 FFCDRN O=C(NCC[C@@H]1CCSC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000868116786 731260458 /nfs/dbraw/zinc/26/04/58/731260458.db2.gz NHTQLMQPGJXHET-CQSZACIVSA-N 0 0 367.490 2.605 20 10 FFCDRN COc1ccc(CNC(=O)NCCSCCC(F)(F)F)c(O)c1 ZINC000869063506 731360464 /nfs/dbraw/zinc/36/04/64/731360464.db2.gz FWVKOKQJSRMECF-UHFFFAOYSA-N 0 0 352.378 2.886 20 10 FFCDRN CC[C@@H](CNC(=O)NCc1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000925673642 738522157 /nfs/dbraw/zinc/52/21/57/738522157.db2.gz DPDQWMPXURLEJP-LBPRGKRZSA-N 0 0 352.431 2.568 20 10 FFCDRN CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H]1c1ccco1 ZINC000869789230 731439972 /nfs/dbraw/zinc/43/99/72/731439972.db2.gz UULRLDFSXJGRRX-HNNXBMFYSA-N 0 0 364.423 2.580 20 10 FFCDRN CC(C)(C)C(=O)Nc1nc(CC(=O)N2Cc3cccc(O)c3C2)cs1 ZINC000871203085 731605991 /nfs/dbraw/zinc/60/59/91/731605991.db2.gz ROPPQBNHXSBQIM-UHFFFAOYSA-N 0 0 359.451 2.918 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccncc2Br)c1 ZINC000780629742 738563911 /nfs/dbraw/zinc/56/39/11/738563911.db2.gz VPMVKDSDACJPHR-VIFPVBQESA-N 0 0 366.215 2.863 20 10 FFCDRN CCC(F)(F)C(C)(C)CNC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000875006805 732119671 /nfs/dbraw/zinc/11/96/71/732119671.db2.gz NZJOZAQXYCVEFI-UHFFFAOYSA-N 0 0 355.429 2.557 20 10 FFCDRN CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCC[C@H]1O ZINC000875102720 732128335 /nfs/dbraw/zinc/12/83/35/732128335.db2.gz RTCIRCJANYBANC-QZTJIDSGSA-N 0 0 363.527 2.685 20 10 FFCDRN Cc1cc(C(=O)OCCC(N)=O)c(C)n1-c1ccc(Br)cc1 ZINC000875181274 732133583 /nfs/dbraw/zinc/13/35/83/732133583.db2.gz IFHHPENNJHFRES-UHFFFAOYSA-N 0 0 365.227 2.889 20 10 FFCDRN COC(=O)CCCc1csc(NC(=O)c2ccc(C)c(O)c2O)n1 ZINC000780971781 738591496 /nfs/dbraw/zinc/59/14/96/738591496.db2.gz XBJUSHMZTBKHCP-UHFFFAOYSA-N 0 0 350.396 2.611 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1CCC(OC)CC1 ZINC000780990142 738592177 /nfs/dbraw/zinc/59/21/77/738592177.db2.gz KSNWFDZTHOKSLN-UHFFFAOYSA-N 0 0 369.845 2.752 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000877002668 732310147 /nfs/dbraw/zinc/31/01/47/732310147.db2.gz BUOHFOLVJNSDBE-LLVKDONJSA-N 0 0 370.421 2.772 20 10 FFCDRN COc1ccc(CNC(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)c(O)c1 ZINC000926299821 738594889 /nfs/dbraw/zinc/59/48/89/738594889.db2.gz NHAIFQNEAXSPFS-FZMZJTMJSA-N 0 0 362.348 2.700 20 10 FFCDRN COc1cc(N2CCN(Cc3cc(C)ns3)CC2)cc(OC)c1OC ZINC000877345581 732347311 /nfs/dbraw/zinc/34/73/11/732347311.db2.gz HJEHSDLWFOLHCX-UHFFFAOYSA-N 0 0 363.483 2.800 20 10 FFCDRN COC(=O)c1cc(C[NH2+]Cc2cccc(Br)c2[O-])[nH]c1C ZINC000877478787 732369465 /nfs/dbraw/zinc/36/94/65/732369465.db2.gz NPZUEJWGZXBWGD-UHFFFAOYSA-N 0 0 353.216 2.868 20 10 FFCDRN O=C(N1C[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000877567573 732389518 /nfs/dbraw/zinc/38/95/18/732389518.db2.gz YKIRYVIMDUYGJK-MWLCHTKSSA-N 0 0 364.314 2.513 20 10 FFCDRN CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000877719530 732419155 /nfs/dbraw/zinc/41/91/55/732419155.db2.gz BVCVZIOTAHYQCA-UHFFFAOYSA-N 0 0 354.878 2.941 20 10 FFCDRN O=C1N[C@@H](c2cc(Br)ccc2O)N2Cc3ccccc3C[C@@H]12 ZINC000877866069 732446346 /nfs/dbraw/zinc/44/63/46/732446346.db2.gz DHDFHOGBNMVKAN-GOEBONIOSA-N 0 0 359.223 2.710 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CSc2nnc(C3CCC3)n2C)cc1 ZINC000781606828 738640491 /nfs/dbraw/zinc/64/04/91/738640491.db2.gz OIEYISMWTQRPAR-UHFFFAOYSA-N 0 0 359.499 2.557 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCN2CCOC(C)(C)C2)c1 ZINC000781630854 738643120 /nfs/dbraw/zinc/64/31/20/738643120.db2.gz XHMMSUKUFZBUOB-UHFFFAOYSA-N 0 0 357.292 2.664 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ncsc1C1CC1 ZINC000880750600 732956315 /nfs/dbraw/zinc/95/63/15/732956315.db2.gz NPLFRKSSSFKXEX-UHFFFAOYSA-N 0 0 357.479 2.912 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC2(CNC(=O)O2)CC1 ZINC000781857970 738665034 /nfs/dbraw/zinc/66/50/34/738665034.db2.gz YXSUYYGHDFKIQY-UHFFFAOYSA-N 0 0 359.451 2.870 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](CCC(N)=O)C2)c1 ZINC000781904553 738670197 /nfs/dbraw/zinc/67/01/97/738670197.db2.gz ICQYSLUDBHDZEJ-GFCCVEGCSA-N 0 0 355.276 2.941 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1 ZINC000781911921 738671464 /nfs/dbraw/zinc/67/14/64/738671464.db2.gz UZKDVNYSORNFHQ-SWLSCSKDSA-N 0 0 367.287 2.954 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)Cc2cc(F)ccc2OC)c1 ZINC000881919621 733136769 /nfs/dbraw/zinc/13/67/69/733136769.db2.gz QREUGHQFNITECB-LLVKDONJSA-N 0 0 369.414 2.729 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1nnc2n1CCC2 ZINC000882886434 733308021 /nfs/dbraw/zinc/30/80/21/733308021.db2.gz UDYPUIRWQLBBFO-QMMMGPOBSA-N 0 0 355.211 2.682 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CCO[C@@]2(CCOC2)C1 ZINC000883082079 733329448 /nfs/dbraw/zinc/32/94/48/733329448.db2.gz VZCZIZVWAYEMFB-WFASDCNBSA-N 0 0 360.223 2.722 20 10 FFCDRN O=C1[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCN1Cc1ccc(F)cc1 ZINC000883102042 733333423 /nfs/dbraw/zinc/33/34/23/733333423.db2.gz DKOQLXGADNYFNH-MRXNPFEDSA-N 0 0 350.340 2.700 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883263077 733356997 /nfs/dbraw/zinc/35/69/97/733356997.db2.gz GFLPAAFHSKAEBR-DZGCQCFKSA-N 0 0 350.415 2.927 20 10 FFCDRN COC(=O)c1cc(CNCc2cc(F)c(N(C)C)cc2F)n(C)c1C ZINC000883343655 733370536 /nfs/dbraw/zinc/37/05/36/733370536.db2.gz URVUOMUTYACPBT-UHFFFAOYSA-N 0 0 351.397 2.754 20 10 FFCDRN COC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000886357233 733776837 /nfs/dbraw/zinc/77/68/37/733776837.db2.gz CTKIKKRITIFLJK-DOMZBBRYSA-N 0 0 358.276 2.994 20 10 FFCDRN COc1cc(Br)cc(CN[C@H](CCO)C(F)(F)F)c1O ZINC000886371023 733778123 /nfs/dbraw/zinc/77/81/23/733778123.db2.gz CISPHSIJFVAEDT-SNVBAGLBSA-N 0 0 358.154 2.566 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1c([O-])cccc1F ZINC000886646624 733812453 /nfs/dbraw/zinc/81/24/53/733812453.db2.gz OACBQXNSKSGKDY-NJZAAPMLSA-N 0 0 354.422 2.552 20 10 FFCDRN CO[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000783179357 738788186 /nfs/dbraw/zinc/78/81/86/738788186.db2.gz LHZAKTAOOKFVRD-SFHVURJKSA-N 0 0 363.527 2.950 20 10 FFCDRN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890757753 734336289 /nfs/dbraw/zinc/33/62/89/734336289.db2.gz KPFXIOHNKKCHBQ-KRWDZBQOSA-N 0 0 358.825 2.635 20 10 FFCDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1cccc(Cl)c1O ZINC000890760071 734336646 /nfs/dbraw/zinc/33/66/46/734336646.db2.gz ZWGRFLRBQQBFIK-LBPRGKRZSA-N 0 0 361.891 2.903 20 10 FFCDRN CN(CCCC(=O)NCc1cccc(Cl)c1O)C(=O)c1ccncc1 ZINC000890762469 734337280 /nfs/dbraw/zinc/33/72/80/734337280.db2.gz DJDLOIMYVITEFU-UHFFFAOYSA-N 0 0 361.829 2.609 20 10 FFCDRN CO[C@@]1(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CCSC1 ZINC000719258656 734377628 /nfs/dbraw/zinc/37/76/28/734377628.db2.gz HKNPQKRQPXLMEE-CYBMUJFWSA-N 0 0 350.253 2.906 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](COC)[C@H]1CCCOC1 ZINC000891188095 734392629 /nfs/dbraw/zinc/39/26/29/734392629.db2.gz YWFVQGDPXMZIEJ-IRXDYDNUSA-N 0 0 350.459 2.755 20 10 FFCDRN O=C(C[C@@H]1CCCO1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726567846 734434807 /nfs/dbraw/zinc/43/48/07/734434807.db2.gz QTHNXTQMUWHLQM-INIZCTEOSA-N 0 0 354.397 2.942 20 10 FFCDRN CCn1cc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)c(C)n1 ZINC000891992772 734504491 /nfs/dbraw/zinc/50/44/91/734504491.db2.gz PKXNAMYYAOZABF-UHFFFAOYSA-N 0 0 351.834 2.746 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC1CCN(CC(F)(F)F)CC1 ZINC000892422683 734557319 /nfs/dbraw/zinc/55/73/19/734557319.db2.gz FNKBLHQMHOVGCV-UHFFFAOYSA-N 0 0 365.783 2.872 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCCOC3CCSCC3)ccc21 ZINC000892492436 734565466 /nfs/dbraw/zinc/56/54/66/734565466.db2.gz QQPNAKUZRYIWRJ-UHFFFAOYSA-N 0 0 363.527 2.780 20 10 FFCDRN CNC(=O)c1ccc(NC(=O)NCc2cccc(OC)c2O)cc1Cl ZINC000729561106 734584507 /nfs/dbraw/zinc/58/45/07/734584507.db2.gz IASKJQAVNBHTLG-UHFFFAOYSA-N 0 0 363.801 2.736 20 10 FFCDRN C[C@@H]1Cc2cc(S(=O)(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2O1 ZINC000730017276 734610009 /nfs/dbraw/zinc/61/00/09/734610009.db2.gz MJKBNJIANNBLLL-CQSZACIVSA-N 0 0 360.479 2.897 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000731039141 734663402 /nfs/dbraw/zinc/66/34/02/734663402.db2.gz VZTJFABBCPTAPA-UHFFFAOYSA-N 0 0 351.516 2.743 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000732267158 734728640 /nfs/dbraw/zinc/72/86/40/734728640.db2.gz WDVGIPXGVDVGAU-UHFFFAOYSA-N 0 0 350.827 2.705 20 10 FFCDRN COC(=O)C[C@@H]1CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000893646090 734731937 /nfs/dbraw/zinc/73/19/37/734731937.db2.gz PUDLRMKDTIQPLJ-NEPJUHHUSA-N 0 0 357.501 2.656 20 10 FFCDRN O=C(OCc1nnnn1-c1ccc(C(F)(F)F)cc1)C1=CC(=O)CS1 ZINC000732353634 734736802 /nfs/dbraw/zinc/73/68/02/734736802.db2.gz IUCMPGPETYROKV-UHFFFAOYSA-N 0 0 370.312 2.805 20 10 FFCDRN CC(C)Oc1ccc(CCNC(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC000732353796 734736851 /nfs/dbraw/zinc/73/68/51/734736851.db2.gz VTBMRURPWRZJIC-UHFFFAOYSA-N 0 0 363.435 2.757 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000893752044 734746623 /nfs/dbraw/zinc/74/66/23/734746623.db2.gz IYVWKDUZOGPYPC-WBMJQRKESA-N 0 0 356.875 2.900 20 10 FFCDRN CN(C)C(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)nc1 ZINC000732921242 734776537 /nfs/dbraw/zinc/77/65/37/734776537.db2.gz OCJVRTGOKWPRHD-UHFFFAOYSA-N 0 0 356.495 2.949 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCNC(=O)[C@H]1c1ccccc1C(F)(F)F ZINC000783923970 738849349 /nfs/dbraw/zinc/84/93/49/738849349.db2.gz OXEYHILIMUOVPY-CYBMUJFWSA-N 0 0 370.352 2.786 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000894095720 734800671 /nfs/dbraw/zinc/80/06/71/734800671.db2.gz RITZPUZGKOALFU-UHFFFAOYSA-N 0 0 369.238 2.798 20 10 FFCDRN O=C(COC(=O)C1=CC(=O)CS1)N[C@@H](c1nccs1)c1ccccc1 ZINC000733496971 734826669 /nfs/dbraw/zinc/82/66/69/734826669.db2.gz OGTILUWOPDRRJZ-OAHLLOKOSA-N 0 0 374.443 2.973 20 10 FFCDRN COc1cc(NCc2cc(F)cc(F)c2O)ccc1S(=O)(=O)N(C)C ZINC000894430770 734856974 /nfs/dbraw/zinc/85/69/74/734856974.db2.gz DGPVKJIIWZXEMV-UHFFFAOYSA-N 0 0 372.393 2.541 20 10 FFCDRN CNC(=O)c1cc(NC(=O)NCc2cc(OC)ccc2O)ccc1Cl ZINC000734062079 734872750 /nfs/dbraw/zinc/87/27/50/734872750.db2.gz LUCRTFGKQMIGBU-UHFFFAOYSA-N 0 0 363.801 2.736 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000734468249 734897909 /nfs/dbraw/zinc/89/79/09/734897909.db2.gz RSJGENLUYREORE-OAHLLOKOSA-N 0 0 357.420 2.952 20 10 FFCDRN COc1cccc(CNC(=O)c2csc(Nc3ccccn3)n2)c1O ZINC000736676763 734992325 /nfs/dbraw/zinc/99/23/25/734992325.db2.gz VBIFYPSIFNEOHK-UHFFFAOYSA-N 0 0 356.407 2.926 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(OCC(F)F)cc2)c1 ZINC000784320036 738878904 /nfs/dbraw/zinc/87/89/04/738878904.db2.gz KFCCRHPZCZTANA-UHFFFAOYSA-N 0 0 373.377 2.523 20 10 FFCDRN CCN(CC)C(=O)[C@@H]1CCCN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896430498 735159307 /nfs/dbraw/zinc/15/93/07/735159307.db2.gz XTRZJJDYWYJVQE-LBPRGKRZSA-N 0 0 362.451 2.786 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccccc1OCC(F)(F)F ZINC000741846926 735165077 /nfs/dbraw/zinc/16/50/77/735165077.db2.gz DHOCZOWJTWLWHX-UKTHLTGXSA-N 0 0 372.368 2.930 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCCN1CC(F)(F)F ZINC000896663011 735178876 /nfs/dbraw/zinc/17/88/76/735178876.db2.gz FAONTRJMMUSXGE-NSHDSACASA-N 0 0 365.783 2.872 20 10 FFCDRN C[C@H](CO)SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000742460223 735239303 /nfs/dbraw/zinc/23/93/03/735239303.db2.gz AYTXGMFHTOBOJN-LLVKDONJSA-N 0 0 355.415 2.515 20 10 FFCDRN CN(C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000742750031 735253632 /nfs/dbraw/zinc/25/36/32/735253632.db2.gz LPBGMRXEAIERAF-HNNXBMFYSA-N 0 0 350.463 2.590 20 10 FFCDRN C[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@]2(CCCOC2)O1 ZINC000897634102 735258199 /nfs/dbraw/zinc/25/81/99/735258199.db2.gz DJLLDRHSYSOYHE-ADLMAVQZSA-N 0 0 363.435 2.723 20 10 FFCDRN C[C@@H](Cc1cccnc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000900148187 735606184 /nfs/dbraw/zinc/60/61/84/735606184.db2.gz FCIIWAVCFUINNS-LBPRGKRZSA-N 0 0 359.813 2.836 20 10 FFCDRN O=S(=O)(CC1CC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000748062845 735613444 /nfs/dbraw/zinc/61/34/44/735613444.db2.gz JSOKEXUTJOTHTP-ZDUSSCGKSA-N 0 0 360.426 2.586 20 10 FFCDRN O=C(NCc1ccccc1O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000748444747 735645325 /nfs/dbraw/zinc/64/53/25/735645325.db2.gz YWWKDFBKHZAXNT-UHFFFAOYSA-N 0 0 356.350 2.710 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(SC(F)F)cc1 ZINC000748482101 735649460 /nfs/dbraw/zinc/64/94/60/735649460.db2.gz QCRUPUPSNZGUCP-UHFFFAOYSA-N 0 0 352.362 2.962 20 10 FFCDRN CCn1cncc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000748685574 735663808 /nfs/dbraw/zinc/66/38/08/735663808.db2.gz WNDAOHGPHDMTFU-UHFFFAOYSA-N 0 0 362.499 2.714 20 10 FFCDRN Cc1cc(C(=O)NCC(C)(C)S(C)(=O)=O)c(C)n1-c1ccccc1C ZINC000748741606 735667830 /nfs/dbraw/zinc/66/78/30/735667830.db2.gz DKGJSBQWMCUMRC-UHFFFAOYSA-N 0 0 362.495 2.956 20 10 FFCDRN Cc1cc(CS(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)on1 ZINC000749171389 735700321 /nfs/dbraw/zinc/70/03/21/735700321.db2.gz XDNKUIRCPDGIMW-UHFFFAOYSA-N 0 0 351.472 2.789 20 10 FFCDRN COc1ccc(NC(=O)C(=O)NCCCSc2nccs2)c(C)c1 ZINC000749731313 735742848 /nfs/dbraw/zinc/74/28/48/735742848.db2.gz NGBJMJQJCUYBIA-UHFFFAOYSA-N 0 0 365.480 2.697 20 10 FFCDRN CCn1c(Br)ncc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000901128027 735747057 /nfs/dbraw/zinc/74/70/57/735747057.db2.gz SZCWUENMKHTOHM-SECBINFHSA-N 0 0 368.231 2.871 20 10 FFCDRN COc1cc(O)ccc1NS(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000901702638 735822782 /nfs/dbraw/zinc/82/27/82/735822782.db2.gz FXGKZFVONMLHMR-OAHLLOKOSA-N 0 0 369.414 2.539 20 10 FFCDRN COc1cc(O)ccc1NS(=O)(=O)C1(COCc2ccccc2)CC1 ZINC000901702934 735822872 /nfs/dbraw/zinc/82/28/72/735822872.db2.gz LGWGWNDVCHSAOZ-UHFFFAOYSA-N 0 0 363.435 2.892 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccc(Cl)cc2OC)c1O ZINC000751304594 735862649 /nfs/dbraw/zinc/86/26/49/735862649.db2.gz DEAYXYQLQWLYOA-UHFFFAOYSA-N 0 0 357.815 2.541 20 10 FFCDRN O=C(CCn1cc(Cl)cn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000752153421 735961041 /nfs/dbraw/zinc/96/10/41/735961041.db2.gz FUJBPEDTFIBJBB-MRXNPFEDSA-N 0 0 363.845 2.840 20 10 FFCDRN O=C(CCn1cc(Cl)cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000752153419 735961059 /nfs/dbraw/zinc/96/10/59/735961059.db2.gz FUJBPEDTFIBJBB-INIZCTEOSA-N 0 0 363.845 2.840 20 10 FFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccnc(N2CCOCC2)c1 ZINC000790951197 739518171 /nfs/dbraw/zinc/51/81/71/739518171.db2.gz WUTBCWOJHHGYOL-UHFFFAOYSA-N 0 0 351.809 2.706 20 10 FFCDRN C[C@@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOC1 ZINC000754320498 736147069 /nfs/dbraw/zinc/14/70/69/736147069.db2.gz PFBFHAPZDQBOHY-SCLBCKFNSA-N 0 0 354.397 2.800 20 10 FFCDRN COc1ccc(N(CC(C)C)C[C@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000754642164 736181962 /nfs/dbraw/zinc/18/19/62/736181962.db2.gz YTZOEUYFLKKUQE-MRXNPFEDSA-N 0 0 354.516 2.829 20 10 FFCDRN O=C([O-])N[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000904209238 736233752 /nfs/dbraw/zinc/23/37/52/736233752.db2.gz GRKBNHPIRZGUBR-IRXDYDNUSA-N 0 0 361.511 2.908 20 10 FFCDRN C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)c(F)cc1[O-] ZINC000756390058 736327225 /nfs/dbraw/zinc/32/72/25/736327225.db2.gz FTAUZWFFMPAHOC-QMMMGPOBSA-N 0 0 355.211 2.682 20 10 FFCDRN C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cc(F)cc(F)c1[O-] ZINC000756524414 736338902 /nfs/dbraw/zinc/33/89/02/736338902.db2.gz IRWFHJOHWANWBM-NSHDSACASA-N 0 0 350.365 2.847 20 10 FFCDRN C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756584884 736345083 /nfs/dbraw/zinc/34/50/83/736345083.db2.gz HIDBORZEWLIFAZ-SECBINFHSA-N 0 0 359.239 2.990 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCOCC2CCOCC2)c1 ZINC000756607015 736346708 /nfs/dbraw/zinc/34/67/08/736346708.db2.gz XVYMQXHDPTVNOW-CQSZACIVSA-N 0 0 351.443 2.663 20 10 FFCDRN CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000756654615 736349793 /nfs/dbraw/zinc/34/97/93/736349793.db2.gz LJZYLQHSYBRHFC-UWVGGRQHSA-N 0 0 359.239 2.955 20 10 FFCDRN COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756733433 736356617 /nfs/dbraw/zinc/35/66/17/736356617.db2.gz PNLMLDMZKBNOBO-UWVGGRQHSA-N 0 0 350.228 2.996 20 10 FFCDRN C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756776837 736361068 /nfs/dbraw/zinc/36/10/68/736361068.db2.gz SCLXGMRVZJAVSZ-SDBXPKJASA-N 0 0 374.666 2.926 20 10 FFCDRN COC[C@H](O)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756779543 736361210 /nfs/dbraw/zinc/36/12/10/736361210.db2.gz SDFZTGSFTMAQBC-WCBMZHEXSA-N 0 0 352.656 2.856 20 10 FFCDRN CCOCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000758169085 736457958 /nfs/dbraw/zinc/45/79/58/736457958.db2.gz MSGFYDKXXDSRSC-UHFFFAOYSA-N 0 0 355.387 2.747 20 10 FFCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])[C@@]12CCCO2 ZINC000759176482 736553082 /nfs/dbraw/zinc/55/30/82/736553082.db2.gz HXWJZHCMKIBPFE-FMKPAKJESA-N 0 0 356.260 2.971 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@H](CO)c1ccc(F)cc1 ZINC000759584550 736578516 /nfs/dbraw/zinc/57/85/16/736578516.db2.gz APUTVGNVAQQWET-CYBMUJFWSA-N 0 0 355.460 2.797 20 10 FFCDRN CC(C)(C)OC(=O)[C@@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000759585953 736578849 /nfs/dbraw/zinc/57/88/49/736578849.db2.gz MFOIGZJFLYNKLV-GFCCVEGCSA-N 0 0 371.528 2.999 20 10 FFCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000759719756 736588703 /nfs/dbraw/zinc/58/87/03/736588703.db2.gz MIXXVQMQYBCRQH-WDEREUQCSA-N 0 0 355.529 2.645 20 10 FFCDRN CC1CCN(c2ccc(CN3C(=O)N[C@]4(CCSC4)C3=O)cc2)CC1 ZINC000761277482 736716918 /nfs/dbraw/zinc/71/69/18/736716918.db2.gz IQQILGLGVPGSGU-IBGZPJMESA-N 0 0 359.495 2.850 20 10 FFCDRN CCO[C@H]1C[C@@]2(NC(=O)N(CCCSc3nccs3)C2=O)C1(C)C ZINC000761298802 736719339 /nfs/dbraw/zinc/71/93/39/736719339.db2.gz MWYZDMPMOHCKFG-ZBEGNZNMSA-N 0 0 369.512 2.751 20 10 FFCDRN C[C@@H](O)CC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761452147 736736534 /nfs/dbraw/zinc/73/65/34/736736534.db2.gz VCJCYBFISNOSAM-LLVKDONJSA-N 0 0 354.834 2.607 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC000908326326 736757784 /nfs/dbraw/zinc/75/77/84/736757784.db2.gz AEPIXYPMYVTJSE-HNNXBMFYSA-N 0 0 355.843 2.853 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1cccc(Cl)c1O)c1ccc(F)cc1 ZINC000908328551 736758587 /nfs/dbraw/zinc/75/85/87/736758587.db2.gz OBTWWPCEKBREHN-HNNXBMFYSA-N 0 0 373.833 2.992 20 10 FFCDRN O=S(=O)(Cc1noc2c1CCCC2)NCc1cccc(Cl)c1O ZINC000908329565 736758870 /nfs/dbraw/zinc/75/88/70/736758870.db2.gz RPXQSAMJXLHGLM-UHFFFAOYSA-N 0 0 356.831 2.532 20 10 FFCDRN CC(C)(C)C(=O)C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761984300 736779753 /nfs/dbraw/zinc/77/97/53/736779753.db2.gz YEZRTLOPMONFON-CQSZACIVSA-N 0 0 352.862 2.741 20 10 FFCDRN CC(C)C[C@H](CCO)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761994635 736780748 /nfs/dbraw/zinc/78/07/48/736780748.db2.gz WPGVVMMYMYUWJI-ZDUSSCGKSA-N 0 0 368.861 2.855 20 10 FFCDRN COc1cc(CN2CCC[C@H](S(C)(=O)=O)C2)c(O)c(C(C)(C)C)c1 ZINC000763379302 736933458 /nfs/dbraw/zinc/93/34/58/736933458.db2.gz BVFHMXBMDCXQHV-HNNXBMFYSA-N 0 0 355.500 2.707 20 10 FFCDRN C[C@H](NCc1nnc2n1CCC2)c1ccc(N2CCOCC2)cc1Cl ZINC000764814108 737052319 /nfs/dbraw/zinc/05/23/19/737052319.db2.gz NQJBTAVIOZDHCN-ZDUSSCGKSA-N 0 0 361.877 2.565 20 10 FFCDRN C[C@H](NS(=O)(=O)CC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000765172126 737091071 /nfs/dbraw/zinc/09/10/71/737091071.db2.gz RWBDZHKAYJMJFI-HNNXBMFYSA-N 0 0 352.500 2.694 20 10 FFCDRN Cc1cccnc1CNC(=O)NCc1cccc(Br)c1O ZINC000765482845 737123096 /nfs/dbraw/zinc/12/30/96/737123096.db2.gz QVMCAVFYRJWYQI-UHFFFAOYSA-N 0 0 350.216 2.858 20 10 FFCDRN Cn1nc2c(c1C(=O)NCc1cccc(Br)c1O)CCCC2 ZINC000765728691 737149602 /nfs/dbraw/zinc/14/96/02/737149602.db2.gz KHIFRIGYPLPTJS-UHFFFAOYSA-N 0 0 364.243 2.697 20 10 FFCDRN Cc1noc(Cl)c1CC(=O)NCc1cccc(Br)c1O ZINC000765728662 737149653 /nfs/dbraw/zinc/14/96/53/737149653.db2.gz JCSRGKSWOMFZNY-UHFFFAOYSA-N 0 0 359.607 2.963 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000911783789 737233409 /nfs/dbraw/zinc/23/34/09/737233409.db2.gz YYBQQPIAPLYKTJ-INIZCTEOSA-N 0 0 352.356 2.550 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cc(C)cnc2N)cc1 ZINC000766755484 737259004 /nfs/dbraw/zinc/25/90/04/737259004.db2.gz CKKZTRGXXHHUPM-UHFFFAOYSA-N 0 0 362.499 2.639 20 10 FFCDRN Cc1cnc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000767188223 737299810 /nfs/dbraw/zinc/29/98/10/737299810.db2.gz RNMPHYAERZUNSO-UHFFFAOYSA-N 0 0 359.495 2.519 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2c2cccs2)cc1 ZINC000785432676 738963006 /nfs/dbraw/zinc/96/30/06/738963006.db2.gz GTZPXOOUQWTHSE-MRXNPFEDSA-N 0 0 357.479 2.794 20 10 FFCDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785439390 738963487 /nfs/dbraw/zinc/96/34/87/738963487.db2.gz NYQHYAJYBBDZQV-DLBZAZTESA-N 0 0 363.527 2.549 20 10 FFCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785439392 738963565 /nfs/dbraw/zinc/96/35/65/738963565.db2.gz NYQHYAJYBBDZQV-IRXDYDNUSA-N 0 0 363.527 2.549 20 10 FFCDRN CCOC(=O)[C@@H]1CSCCN1Cc1cc(Br)ccc1O ZINC000768231260 737407651 /nfs/dbraw/zinc/40/76/51/737407651.db2.gz VNUUOMPOFWNAEA-LBPRGKRZSA-N 0 0 360.273 2.635 20 10 FFCDRN Cc1cc(CC(=O)NCc2ncn(C)n2)c(C)n1-c1ccc(Cl)cc1 ZINC000768803712 737459618 /nfs/dbraw/zinc/45/96/18/737459618.db2.gz IBWWWHIRXMDRPB-UHFFFAOYSA-N 0 0 357.845 2.735 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccnn1C1CCC1 ZINC000913877554 737463514 /nfs/dbraw/zinc/46/35/14/737463514.db2.gz FKZWNNPMFHUJLP-UHFFFAOYSA-N 0 0 362.499 2.885 20 10 FFCDRN COC(=O)[C@@H](C)Sc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000768914003 737476798 /nfs/dbraw/zinc/47/67/98/737476798.db2.gz LFIVBWUDFYUZAF-LLVKDONJSA-N 0 0 361.419 2.681 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1CCCC(F)(F)C1 ZINC000769040955 737488588 /nfs/dbraw/zinc/48/85/88/737488588.db2.gz OFBIMHBPLMLZSF-OAHLLOKOSA-N 0 0 353.413 2.900 20 10 FFCDRN CC1(C2CC[NH+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)OCCO1 ZINC000769400636 737524762 /nfs/dbraw/zinc/52/47/62/737524762.db2.gz YCGPFEFHEHWVRW-UHFFFAOYSA-N 0 0 356.806 2.929 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc3cccnc32)c1 ZINC000769615304 737546950 /nfs/dbraw/zinc/54/69/50/737546950.db2.gz PFNKIDKXYCJJSP-UHFFFAOYSA-N 0 0 357.391 2.564 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3csc(=O)[nH]3)cc2F)C[C@@H](C)O1 ZINC000769687601 737553332 /nfs/dbraw/zinc/55/33/32/737553332.db2.gz FKXPWQMBZMMKKA-GHMZBOCLSA-N 0 0 365.430 2.531 20 10 FFCDRN C[C@@H](NS(=O)(=O)Cc1noc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000914391990 737572059 /nfs/dbraw/zinc/57/20/59/737572059.db2.gz QDJMVBADVWTFES-CYBMUJFWSA-N 0 0 363.483 2.800 20 10 FFCDRN C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cccc(Br)c1[O-] ZINC000770346144 737617854 /nfs/dbraw/zinc/61/78/54/737617854.db2.gz DDXZOTJNNGDWSE-BMFZPTHFSA-N 0 0 369.303 2.838 20 10 FFCDRN CCc1ocnc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771061000 737691001 /nfs/dbraw/zinc/69/10/01/737691001.db2.gz ZZCCLMDEPGUENL-AWEZNQCLSA-N 0 0 363.845 2.990 20 10 FFCDRN O=C1/C(=C/c2cscc2Cl)SC(=S)N1CCN1CCOCC1 ZINC000771850564 737761076 /nfs/dbraw/zinc/76/10/76/737761076.db2.gz MBWVTGPGPWLVTR-GHXNOFRVSA-N 0 0 374.940 2.935 20 10 FFCDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917927944 737784981 /nfs/dbraw/zinc/78/49/81/737784981.db2.gz OFTSAIKISJFHAW-HZPDHXFCSA-N 0 0 365.543 2.940 20 10 FFCDRN Cc1cncc(/C=C/C(=O)N2CCCc3ccc(S(C)(=O)=O)cc32)c1 ZINC000772099483 737785982 /nfs/dbraw/zinc/78/59/82/737785982.db2.gz IDYZAYHLWYDEFK-VMPITWQZSA-N 0 0 356.447 2.786 20 10 FFCDRN C[C@H](NC(=O)CCNC(=O)OCC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773013379 737863579 /nfs/dbraw/zinc/86/35/79/737863579.db2.gz FHDDMXDVXGXPAH-NSHDSACASA-N 0 0 361.364 2.608 20 10 FFCDRN C[C@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000773020525 737863844 /nfs/dbraw/zinc/86/38/44/737863844.db2.gz OXIWQSZTSQVSKK-AWEZNQCLSA-N 0 0 360.479 2.788 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(N(C)C)cc1 ZINC000773085525 737869754 /nfs/dbraw/zinc/86/97/54/737869754.db2.gz XGFJPXAXEXSCQH-SNVBAGLBSA-N 0 0 355.441 2.762 20 10 FFCDRN COc1cc(OC)cc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773088127 737870000 /nfs/dbraw/zinc/87/00/00/737870000.db2.gz MUHHBUBOWWNPER-CYBMUJFWSA-N 0 0 364.467 2.809 20 10 FFCDRN FC(F)Oc1ccc(CNC(=S)Nc2ccc3c(c2)OCO3)nc1 ZINC000773196408 737879704 /nfs/dbraw/zinc/87/97/04/737879704.db2.gz HFCVPPGFRCNZHY-UHFFFAOYSA-N 0 0 353.350 2.898 20 10 FFCDRN CCN(C)C(=O)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000773355545 737898346 /nfs/dbraw/zinc/89/83/46/737898346.db2.gz WTORLWCKRLBQNW-UHFFFAOYSA-N 0 0 361.873 2.885 20 10 FFCDRN C[C@H](NC(=O)N[C@@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000773370641 737899937 /nfs/dbraw/zinc/89/99/37/737899937.db2.gz GHVVALMWKLSMOM-GXTWGEPZSA-N 0 0 358.408 2.749 20 10 FFCDRN CCN(C)c1ccc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000773815108 737936643 /nfs/dbraw/zinc/93/66/43/737936643.db2.gz YSWOXNLXWSWQEC-HNNXBMFYSA-N 0 0 361.511 2.902 20 10 FFCDRN CC(C)CN1C(=O)C(=CNc2cccc(C(F)(F)F)c2)C(=O)NC1=S ZINC000920975035 737937343 /nfs/dbraw/zinc/93/73/43/737937343.db2.gz YHLCGHNKQQVSQY-KPKJPENVSA-N 0 0 371.384 2.901 20 10 FFCDRN CCCCCCNC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000774503538 737994519 /nfs/dbraw/zinc/99/45/19/737994519.db2.gz LRGGSLMTOFKRKB-UHFFFAOYSA-N 0 0 363.527 2.553 20 10 FFCDRN COCc1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000774732243 738020297 /nfs/dbraw/zinc/02/02/97/738020297.db2.gz HAFRMDQDRRGRNA-UHFFFAOYSA-N 0 0 360.479 2.912 20 10 FFCDRN C[N@H+](Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000775702492 738114896 /nfs/dbraw/zinc/11/48/96/738114896.db2.gz XNTRPHFSGZDGJN-NSHDSACASA-N 0 0 354.731 2.780 20 10 FFCDRN COC(=O)[C@H]1C[C@@H](C)CCN1Cc1cc(Br)cc(OC)c1O ZINC000776002477 738151319 /nfs/dbraw/zinc/15/13/19/738151319.db2.gz UARPFDZGRVMGLT-GXFFZTMASA-N 0 0 372.259 2.937 20 10 FFCDRN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000776015148 738152163 /nfs/dbraw/zinc/15/21/63/738152163.db2.gz UNSXTMKEMNQYIZ-QWHCGFSZSA-N 0 0 372.259 2.697 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CCN1CCC1 ZINC000776252990 738174628 /nfs/dbraw/zinc/17/46/28/738174628.db2.gz KJXDYZODFOCZBO-UHFFFAOYSA-N 0 0 364.081 2.713 20 10 FFCDRN CCN(C(=O)/C=C\c1cnc(OC)nc1)c1ccc(Br)cn1 ZINC000776314917 738181524 /nfs/dbraw/zinc/18/15/24/738181524.db2.gz VWOFJBNMVNHNFC-DAXSKMNVSA-N 0 0 363.215 2.709 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1sccc1OC ZINC000777828633 738324043 /nfs/dbraw/zinc/32/40/43/738324043.db2.gz MQXNWAFNGGMVRF-UHFFFAOYSA-N 0 0 369.826 2.931 20 10 FFCDRN CC(C)COC(=O)N1CCC(C(=O)NCc2c(O)cccc2F)CC1 ZINC000928711209 738898527 /nfs/dbraw/zinc/89/85/27/738898527.db2.gz IABBNGSCMHKXSK-UHFFFAOYSA-N 0 0 352.406 2.652 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)C(F)F)NC(=O)OC(C)(C)C)cc1 ZINC000787395259 739133316 /nfs/dbraw/zinc/13/33/16/739133316.db2.gz ABERLLXATPZOIE-ZDUSSCGKSA-N 0 0 357.401 2.700 20 10 FFCDRN COc1cc(C)cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1C ZINC000787649630 739155075 /nfs/dbraw/zinc/15/50/75/739155075.db2.gz KOHIVMCTKOWNTD-UHFFFAOYSA-N 0 0 364.423 2.641 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)CCC2Cc3ccccc3C2)cc1 ZINC000787918441 739187560 /nfs/dbraw/zinc/18/75/60/739187560.db2.gz KYUAXGMGCBPYAN-UHFFFAOYSA-N 0 0 358.507 2.977 20 10 FFCDRN C[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@H](C)S(C)(=O)=O ZINC000788264952 739225611 /nfs/dbraw/zinc/22/56/11/739225611.db2.gz DACZCPKDQODOMB-CVEARBPZSA-N 0 0 366.527 2.705 20 10 FFCDRN Cc1sc(Br)nc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000788307674 739232021 /nfs/dbraw/zinc/23/20/21/739232021.db2.gz LHCACGVMGVIHFK-UHFFFAOYSA-N 0 0 357.229 2.598 20 10 FFCDRN CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)NCCCSc1nccs1 ZINC000789969000 739400856 /nfs/dbraw/zinc/40/08/56/739400856.db2.gz SQBUVWAVLJDRAY-STQMWFEESA-N 0 0 355.529 2.827 20 10 FFCDRN O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1c(F)ccc(O)c1O ZINC000789993527 739403248 /nfs/dbraw/zinc/40/32/48/739403248.db2.gz YTMJBEWKDLGXEJ-NSHDSACASA-N 0 0 350.777 2.899 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 ZINC000790416134 739450837 /nfs/dbraw/zinc/45/08/37/739450837.db2.gz RXQQLNGMCPZINP-UHFFFAOYSA-N 0 0 371.361 2.820 20 10 FFCDRN COc1ccc(Br)c(CNC(=O)c2cccc(O)c2O)c1 ZINC000790545007 739468326 /nfs/dbraw/zinc/46/83/26/739468326.db2.gz BJPAEFQAFUHXBL-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN CN1CCN(c2ccc(NC(=O)c3cccc(O)c3O)cc2Cl)CC1 ZINC000790613308 739474742 /nfs/dbraw/zinc/47/47/42/739474742.db2.gz HOHGDPVELCAYKJ-UHFFFAOYSA-N 0 0 361.829 2.755 20 10 FFCDRN CCOCCOC[C@H](O)C[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000790760136 739491689 /nfs/dbraw/zinc/49/16/89/739491689.db2.gz MHLAUALDXXJBSK-GHMZBOCLSA-N 0 0 352.258 2.764 20 10 FFCDRN CCNc1cc(C)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000790976991 739520286 /nfs/dbraw/zinc/52/02/86/739520286.db2.gz DHCMHHRWHUNHKH-UHFFFAOYSA-N 0 0 363.439 2.756 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]([C@H]1CCOC1)C(F)(F)F ZINC000932982387 739548960 /nfs/dbraw/zinc/54/89/60/739548960.db2.gz JEGQOGBGBUVABU-JOYOIKCWSA-N 0 0 352.740 2.812 20 10 FFCDRN CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccccc1O ZINC000792173997 739646628 /nfs/dbraw/zinc/64/66/28/739646628.db2.gz BEPWXNHWDVVISI-UHFFFAOYSA-N 0 0 360.479 2.985 20 10 FFCDRN O=C(NCCCSc1nccs1)N(CCCO)Cc1ccccn1 ZINC000793100773 739739238 /nfs/dbraw/zinc/73/92/38/739739238.db2.gz DLIVZHSXHJNJPV-UHFFFAOYSA-N 0 0 366.512 2.615 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)c(O)c1 ZINC000793127581 739742521 /nfs/dbraw/zinc/74/25/21/739742521.db2.gz QQDKJNMXCIUKGU-XELLLNAOSA-N 0 0 362.451 2.699 20 10 FFCDRN CC[C@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793363214 739773779 /nfs/dbraw/zinc/77/37/79/739773779.db2.gz RGKXKXDXHKVBDL-BBRMVZONSA-N 0 0 356.260 2.925 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1ccnn1[C@@H]1CCCOC1 ZINC000934687297 739824105 /nfs/dbraw/zinc/82/41/05/739824105.db2.gz NKWWNBGEFNOOBV-GFCCVEGCSA-N 0 0 367.500 2.995 20 10 FFCDRN COc1ccc(CNC(=O)CSc2ccc3c(c2)OCCO3)c(O)c1 ZINC000794378005 739884722 /nfs/dbraw/zinc/88/47/22/739884722.db2.gz SPPZRYRZQXFLRJ-UHFFFAOYSA-N 0 0 361.419 2.581 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CC(C)(C)O3)c(O)c1 ZINC000795361518 740010071 /nfs/dbraw/zinc/01/00/71/740010071.db2.gz AQLHRROZYBCBFZ-UHFFFAOYSA-N 0 0 363.435 2.593 20 10 FFCDRN O=C(COC(=O)c1cccc(O)c1O)Cc1ccc(Br)cc1 ZINC000795595438 740042315 /nfs/dbraw/zinc/04/23/15/740042315.db2.gz SIINKRNGLXEBJN-UHFFFAOYSA-N 0 0 365.179 2.829 20 10 FFCDRN CCNC(=O)OC[C@@H]1CCCCN1Cc1cc(F)cc(C(C)=O)c1O ZINC000796165934 740110720 /nfs/dbraw/zinc/11/07/20/740110720.db2.gz WGHNZWIBWWWKED-HNNXBMFYSA-N 0 0 352.406 2.835 20 10 FFCDRN CCOc1ccc(O)c(CNc2cc(S(=O)(=O)N(C)C)ccc2C)c1 ZINC000796361386 740136214 /nfs/dbraw/zinc/13/62/14/740136214.db2.gz HBFUWNPSLZMFKA-UHFFFAOYSA-N 0 0 364.467 2.962 20 10 FFCDRN COc1cccc(O)c1CNc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000796387507 740139618 /nfs/dbraw/zinc/13/96/18/740139618.db2.gz CWHLJYSRBVLHQR-UHFFFAOYSA-N 0 0 350.440 2.572 20 10 FFCDRN CCCS(=O)(=O)N1CCC([NH2+][C@@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000796697908 740172837 /nfs/dbraw/zinc/17/28/37/740172837.db2.gz ZIWIMLYLTXHGKY-INIZCTEOSA-N 0 0 358.479 2.776 20 10 FFCDRN C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@]2(CCCOC2)O1 ZINC000797476831 740250350 /nfs/dbraw/zinc/25/03/50/740250350.db2.gz ZVZRESJMXWKGNY-CJNGLKHVSA-N 0 0 371.528 2.605 20 10 FFCDRN C[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000797999233 740297851 /nfs/dbraw/zinc/29/78/51/740297851.db2.gz PEEYPLVLYWSHKN-LBPRGKRZSA-N 0 0 370.421 2.642 20 10 FFCDRN Cc1nc2c(nccc2C(=O)NCc2cccc(Br)c2O)[nH]1 ZINC000798002242 740298253 /nfs/dbraw/zinc/29/82/53/740298253.db2.gz BIMMWKGAOJPAMR-UHFFFAOYSA-N 0 0 361.199 2.664 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc(Br)n[nH]1 ZINC000798171524 740309066 /nfs/dbraw/zinc/30/90/66/740309066.db2.gz BXIBIOMPXLEHJV-UHFFFAOYSA-N 0 0 350.216 2.687 20 10 FFCDRN C[NH+](C)CCc1ccccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000799184645 740398038 /nfs/dbraw/zinc/39/80/38/740398038.db2.gz CFTHWZINZGTXQU-UHFFFAOYSA-N 0 0 362.480 2.596 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2cc(C)c(Cl)c(C)c2)c(O)c1 ZINC000799836574 740457319 /nfs/dbraw/zinc/45/73/19/740457319.db2.gz SPRINUJYRQIAQN-UHFFFAOYSA-N 0 0 362.813 2.926 20 10 FFCDRN COC(=O)c1cc(O)ccc1NS(=O)(=O)/C=C\c1ccccc1F ZINC000799925486 740464803 /nfs/dbraw/zinc/46/48/03/740464803.db2.gz SCVUAPBTAQMYMA-HJWRWDBZSA-N 0 0 351.355 2.731 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(COC(=O)c2cccc(O)c2O)CC1 ZINC000800203142 740500791 /nfs/dbraw/zinc/50/07/91/740500791.db2.gz JIGXQDISTJAXIA-UHFFFAOYSA-N 0 0 351.399 2.902 20 10 FFCDRN C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])C(=O)NCCF ZINC000800499331 740528735 /nfs/dbraw/zinc/52/87/35/740528735.db2.gz WRUUZVAGFBJHQZ-YUMQZZPRSA-N 0 0 367.646 2.933 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)CCc3nnc[nH]3)cc2Cl)C1 ZINC000800570250 740534317 /nfs/dbraw/zinc/53/43/17/740534317.db2.gz IUSPKHNTLKOENA-ZDUSSCGKSA-N 0 0 361.877 2.943 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCOc2ccc(Br)cc2C1 ZINC000802256043 740690472 /nfs/dbraw/zinc/69/04/72/740690472.db2.gz FOGLAEHEDNVJBX-UHFFFAOYSA-N 0 0 364.195 2.895 20 10 FFCDRN COc1ccc(C2=NO[C@@H](CNC(=O)C3=CC(=O)CS3)C2)cc1F ZINC000802633189 740713037 /nfs/dbraw/zinc/71/30/37/740713037.db2.gz QFWLGOTWKWKWLY-LLVKDONJSA-N 0 0 350.371 2.524 20 10 FFCDRN Cn1cnc2cc(C(=O)NCc3cc(Br)ccc3O)ccc21 ZINC000804736714 740901033 /nfs/dbraw/zinc/90/10/33/740901033.db2.gz YHFIBFGJXZCWPD-UHFFFAOYSA-N 0 0 360.211 2.971 20 10 FFCDRN CC(C)CCn1cc(C(=O)NCc2cc(Br)ccc2O)nn1 ZINC000804739179 740901801 /nfs/dbraw/zinc/90/18/01/740901801.db2.gz UFWFLDUNULZERT-UHFFFAOYSA-N 0 0 367.247 2.722 20 10 FFCDRN C[C@H]1CSC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000804969315 740920896 /nfs/dbraw/zinc/92/08/96/740920896.db2.gz OZLXDRAOCKLZBJ-XJKSGUPXSA-N 0 0 351.541 2.791 20 10 FFCDRN O=S(=O)(NCCCSc1nccs1)c1cnc(Cl)c(F)c1 ZINC000805002348 740924384 /nfs/dbraw/zinc/92/43/84/740924384.db2.gz XPTFWTZMZWHOCF-UHFFFAOYSA-N 0 0 367.880 2.791 20 10 FFCDRN CNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000805828467 741015696 /nfs/dbraw/zinc/01/56/96/741015696.db2.gz IMGODNVNTPYALX-CQSZACIVSA-N 0 0 354.834 2.959 20 10 FFCDRN CC[C@H]([NH2+]C[C@@H]1CCCCN1S(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000806166029 741044744 /nfs/dbraw/zinc/04/47/44/741044744.db2.gz OEYCIJAMIFCZNW-WFASDCNBSA-N 0 0 360.907 2.900 20 10 FFCDRN C[C@H](C1CC1)N(C(=O)C(=O)NCCCSc1nccs1)C1CC1 ZINC000806282831 741050200 /nfs/dbraw/zinc/05/02/00/741050200.db2.gz VNAXPDUMSUSYIJ-LLVKDONJSA-N 0 0 353.513 2.531 20 10 FFCDRN COc1ccc(CNC(=O)Nc2c(C)c(C(F)(F)F)nn2C)c(O)c1 ZINC000806422797 741058669 /nfs/dbraw/zinc/05/86/69/741058669.db2.gz DXERODULNSTGCW-UHFFFAOYSA-N 0 0 358.320 2.783 20 10 FFCDRN COc1cnc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000806512785 741066006 /nfs/dbraw/zinc/06/60/06/741066006.db2.gz VOKUUUBLLHTFOJ-UHFFFAOYSA-N 0 0 362.455 2.652 20 10 FFCDRN O=C(NCCc1ccc(O)cc1)NCc1cc(Br)ccc1O ZINC000806650442 741078427 /nfs/dbraw/zinc/07/84/27/741078427.db2.gz SLLADQPMIHSPGF-UHFFFAOYSA-N 0 0 365.227 2.902 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)c1nccs1 ZINC000807257866 741123423 /nfs/dbraw/zinc/12/34/23/741123423.db2.gz VCTMVWSCPSUFJR-IUODEOHRSA-N 0 0 360.483 2.654 20 10 FFCDRN CC(C)[C@H]1CN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCS1 ZINC000807670018 741148017 /nfs/dbraw/zinc/14/80/17/741148017.db2.gz AACHMGSVUSIRDU-WMLDXEAASA-N 0 0 363.527 2.530 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000807761794 741155612 /nfs/dbraw/zinc/15/56/12/741155612.db2.gz UCFZVXRQEGOLPH-WBVHZDCISA-N 0 0 363.527 2.501 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCCSC1 ZINC000810167580 741394566 /nfs/dbraw/zinc/39/45/66/741394566.db2.gz KVIONRJHFYJMLP-AWEZNQCLSA-N 0 0 352.475 2.546 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@H](C)S1(=O)=O ZINC000811517786 741533116 /nfs/dbraw/zinc/53/31/16/741533116.db2.gz CCJSAHXIAOYZTO-TXEJJXNPSA-N 0 0 364.433 2.779 20 10 FFCDRN CCN(C[C@@H](C)OC)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000813037086 741670209 /nfs/dbraw/zinc/67/02/09/741670209.db2.gz HEBWRFWJEMIPKP-OAHLLOKOSA-N 0 0 351.516 2.806 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)c1ccc(Cl)cc1F ZINC000813513974 741728992 /nfs/dbraw/zinc/72/89/92/741728992.db2.gz VYVGYLDGVOGCQE-ABKXIKBNSA-N 0 0 353.777 2.671 20 10 FFCDRN COC(=O)[C@@H](CCSC)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000814029374 741786296 /nfs/dbraw/zinc/78/62/96/741786296.db2.gz TVNKAVMKGZLCIV-OAHLLOKOSA-N 0 0 362.451 2.941 20 10 FFCDRN O=S(=O)(c1ccc(Cl)c2nonc21)N1CCc2cc(F)ccc21 ZINC000814392894 741819488 /nfs/dbraw/zinc/81/94/88/741819488.db2.gz GYAFQRONMNAMHS-UHFFFAOYSA-N 0 0 353.762 2.767 20 10 FFCDRN COCCO[C@@H]1COCC[C@@H]1[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815618037 741948154 /nfs/dbraw/zinc/94/81/54/741948154.db2.gz CCVFPUDOQMDQSA-BYCMXARLSA-N 0 0 363.376 2.882 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815626884 741948830 /nfs/dbraw/zinc/94/88/30/741948830.db2.gz OCICRVJUMZNTGC-WDEREUQCSA-N 0 0 351.390 2.886 20 10 FFCDRN CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816537732 742040086 /nfs/dbraw/zinc/04/00/86/742040086.db2.gz PVNAVQWOIAPIPP-UHFFFAOYSA-N 0 0 372.849 2.524 20 10 FFCDRN COc1ccc(CNC(=O)c2sc([C@@H]3CCCOC3)nc2C)c(O)c1 ZINC000816551197 742040897 /nfs/dbraw/zinc/04/08/97/742040897.db2.gz SHGGDKABGGEWHP-CYBMUJFWSA-N 0 0 362.451 2.990 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3nn(C)c(C)c3Cl)CC2)cc1 ZINC000817431743 742143015 /nfs/dbraw/zinc/14/30/15/742143015.db2.gz QECOLGYZXYEUDY-UHFFFAOYSA-N 0 0 362.861 2.789 20 10 FFCDRN COC(=O)CCC(C)(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817941901 742223456 /nfs/dbraw/zinc/22/34/56/742223456.db2.gz TVCMRMHJMZFUGU-UHFFFAOYSA-N 0 0 361.467 2.778 20 10 FFCDRN C[C@@]1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CCCC[C@H]1O ZINC000817952368 742223844 /nfs/dbraw/zinc/22/38/44/742223844.db2.gz KHDKUAAWNYVQNX-APWZRJJASA-N 0 0 359.495 2.987 20 10 FFCDRN CCn1nc(C)c(CN[C@@H](C)c2ccc(N3CCOCC3)cc2Cl)n1 ZINC000818345249 742265682 /nfs/dbraw/zinc/26/56/82/742265682.db2.gz SMYQCEHMCZCISK-ZDUSSCGKSA-N 0 0 363.893 2.947 20 10 FFCDRN CC(C)(C)NS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(N)cc2)c1 ZINC000818556355 742278568 /nfs/dbraw/zinc/27/85/68/742278568.db2.gz NYDHNMIDGGIFOJ-UHFFFAOYSA-N 0 0 361.467 2.739 20 10 FFCDRN CC(C)c1nc(CCN2C(=O)CN(Cc3ccccc3O)C2=O)cs1 ZINC000819168124 742347045 /nfs/dbraw/zinc/34/70/45/742347045.db2.gz NDXIIHYGQVNDPC-UHFFFAOYSA-N 0 0 359.451 2.979 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@H]3CSCCS3)C2)cc1 ZINC000819585466 742410922 /nfs/dbraw/zinc/41/09/22/742410922.db2.gz FQZIMIADUCCDFD-PBHICJAKSA-N 0 0 366.552 2.876 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3nn(C)c(C)c3Cl)C2)cc1 ZINC000819586916 742411437 /nfs/dbraw/zinc/41/14/37/742411437.db2.gz FXCGALHIWYASDS-ZDUSSCGKSA-N 0 0 362.861 2.647 20 10 FFCDRN Cn1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1Cl ZINC000822585851 742755317 /nfs/dbraw/zinc/75/53/17/742755317.db2.gz CQIYIHNCRBZVNT-UHFFFAOYSA-N 0 0 350.875 2.557 20 10 FFCDRN Cc1csc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 ZINC000822659873 742765725 /nfs/dbraw/zinc/76/57/25/742765725.db2.gz HOKBAEWDVBIDJW-OAHLLOKOSA-N 0 0 357.479 2.688 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3cscn3)cc2F)C[C@H](C)O1 ZINC000822688420 742769983 /nfs/dbraw/zinc/76/99/83/742769983.db2.gz PYAXKVBASDNKHE-STQMWFEESA-N 0 0 363.458 2.755 20 10 FFCDRN C[C@H]1CN(C(=O)c2ccc(NC(=O)C3=CC(=O)CS3)cc2)C[C@H](C)O1 ZINC000823053518 742825032 /nfs/dbraw/zinc/82/50/32/742825032.db2.gz BAQWSCONPDDFCE-RYUDHWBXSA-N 0 0 360.435 2.955 20 10 FFCDRN CCOC(=O)CN(Cc1ccsc1C(=O)OC)Cc1ccccc1O ZINC000823581581 742940941 /nfs/dbraw/zinc/94/09/41/742940941.db2.gz MAVPDKOERIBIJF-UHFFFAOYSA-N 0 0 363.435 2.806 20 10 FFCDRN CCn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nn1 ZINC000824437333 743077387 /nfs/dbraw/zinc/07/73/87/743077387.db2.gz PWODTROGKYRRMK-UHFFFAOYSA-N 0 0 355.364 2.569 20 10 FFCDRN CN(C)C(=O)C1([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCCC1 ZINC000824716130 743134168 /nfs/dbraw/zinc/13/41/68/743134168.db2.gz RNDLDDZVLLKXHX-UHFFFAOYSA-N 0 0 355.822 2.835 20 10 FFCDRN COC(=O)C[C@@H]1CSCCN1Cc1ccc(Br)cc1O ZINC000824855097 743165359 /nfs/dbraw/zinc/16/53/59/743165359.db2.gz GKPMWSYGMCEWIS-GFCCVEGCSA-N 0 0 360.273 2.635 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000825124494 743214163 /nfs/dbraw/zinc/21/41/63/743214163.db2.gz RDYJJYMUZHYENU-BXKDBHETSA-N 0 0 354.166 2.900 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](CNC(C)=O)CC(C)C)c1 ZINC000825736572 743320628 /nfs/dbraw/zinc/32/06/28/743320628.db2.gz CPMGDXLYPJFTKY-ZFWWWQNUSA-N 0 0 350.459 2.767 20 10 FFCDRN CC(C)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)NC(=O)OC(C)(C)C ZINC000825873495 743337203 /nfs/dbraw/zinc/33/72/03/743337203.db2.gz KWQBGLZAHBHXNS-LLVKDONJSA-N 0 0 356.394 2.516 20 10 FFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000826510919 743390324 /nfs/dbraw/zinc/39/03/24/743390324.db2.gz RMCPPBFIXJEYSX-UHFFFAOYSA-N 0 0 351.744 2.794 20 10 FFCDRN CO[C@H](CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000827018963 743489999 /nfs/dbraw/zinc/48/99/99/743489999.db2.gz BFNDLDBDWVTNME-GOSISDBHSA-N 0 0 354.516 2.718 20 10 FFCDRN CO[C@@H](CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)C1CC1 ZINC000827018965 743490194 /nfs/dbraw/zinc/49/01/94/743490194.db2.gz BFNDLDBDWVTNME-SFHVURJKSA-N 0 0 354.516 2.718 20 10 FFCDRN COc1ccc(CNC(=O)NC[C@@H]2CSc3ccccc3O2)c(O)c1 ZINC000827120215 743511450 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Oc1ccc(C[C@H](O)c2nc(-c3cnc4c(c3)CCCC4)no2)cc1O ZINC001211667801 974257961 /nfs/dbraw/zinc/25/79/61/974257961.db2.gz FKTWVGBUAMRZRU-KRWDZBQOSA-N 0 0 353.378 2.698 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(NC4CC4)nc3)CC2)cc1 ZINC000243504213 974619545 /nfs/dbraw/zinc/61/95/45/974619545.db2.gz NXEMPYDZDRXILN-UHFFFAOYSA-N 0 0 352.438 2.627 20 10 FFCDRN O=C(N[C@H]1CCCn2nccc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876302758 1014221578 /nfs/dbraw/zinc/22/15/78/1014221578.db2.gz FHKXAZVDLISKGK-IRXDYDNUSA-N 0 0 370.453 2.814 20 10 FFCDRN CC(C)Oc1ccc(N(C)CC(=O)NC(=O)NCc2ccccc2)cc1 ZINC000759928765 975129289 /nfs/dbraw/zinc/12/92/89/975129289.db2.gz REDAOLOJKCOSKV-UHFFFAOYSA-N 0 0 355.438 2.936 20 10 FFCDRN Cc1cc(C(=O)OCC(=O)NC(=O)NC2CC2)c(C)n1-c1ccccc1C ZINC000004270202 975565101 /nfs/dbraw/zinc/56/51/01/975565101.db2.gz GLHYEIAIJDJHOV-UHFFFAOYSA-N 0 0 369.421 2.548 20 10 FFCDRN COc1cccc(OCC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000054035181 976346942 /nfs/dbraw/zinc/34/69/42/976346942.db2.gz QTAVLZLHLNWXAY-UHFFFAOYSA-N 0 0 372.490 2.944 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2cccnn2)CCCC1 ZINC000649966815 1014328502 /nfs/dbraw/zinc/32/85/02/1014328502.db2.gz WURCQQMEWYQQIJ-UHFFFAOYSA-N 0 0 350.422 2.635 20 10 FFCDRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)N1Cc3cccc(O)c3C1)C2 ZINC000898690694 976624674 /nfs/dbraw/zinc/62/46/74/976624674.db2.gz YIQMNWRNIOJUSZ-KBMXLJTQSA-N 0 0 373.453 2.958 20 10 FFCDRN Cc1cc(C(=O)NCCCc2c[nH][nH]c2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000898740321 976658599 /nfs/dbraw/zinc/65/85/99/976658599.db2.gz QYHCUQWQXBJGKS-AWEZNQCLSA-N 0 0 372.856 2.989 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H](C)c2cnn(CC3CCC3)c2)c1O ZINC000898852200 976720056 /nfs/dbraw/zinc/72/00/56/976720056.db2.gz XCRCDNGKZGOSLB-ZDUSSCGKSA-N 0 0 358.442 2.958 20 10 FFCDRN COc1ccc(-c2noc([C@H](O)c3ccc(N(C)C)cc3)n2)cc1OC ZINC001211700900 976783751 /nfs/dbraw/zinc/78/37/51/976783751.db2.gz BCKSEJJTJLHDSH-QGZVFWFLSA-N 0 0 355.394 2.902 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N2CCC[C@H]2/C=C/c2ccccc2)cc1 ZINC000842236716 976965159 /nfs/dbraw/zinc/96/51/59/976965159.db2.gz QYLWFKCRJRVXAS-YPNIWSFNSA-N 0 0 363.461 2.632 20 10 FFCDRN [O-]c1c(F)c(F)ccc1C[N@H+](CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000876726831 1014366336 /nfs/dbraw/zinc/36/63/36/1014366336.db2.gz ACARKAZQPCNPNL-UHFFFAOYSA-N 0 0 373.403 2.910 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CO)C[C@@H]3CCCO3)ccc21 ZINC000899295470 977068309 /nfs/dbraw/zinc/06/83/09/977068309.db2.gz KCIFCGNALXBHIA-MSOLQXFVSA-N 0 0 374.481 2.564 20 10 FFCDRN CCO[C@H](C)c1noc(CN(C)Cc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000876777003 1014390399 /nfs/dbraw/zinc/39/03/99/1014390399.db2.gz NAROHDOQHINHBX-OAHLLOKOSA-N 0 0 374.485 2.760 20 10 FFCDRN COc1ccc(C[N@@H+]2CCC[C@H](Oc3ncccc3F)C2)c(O)c1OC ZINC000894078931 977657482 /nfs/dbraw/zinc/65/74/82/977657482.db2.gz OEZBFRIQBNELEF-AWEZNQCLSA-N 0 0 362.401 2.987 20 10 FFCDRN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nnc2n1CCCCC2 ZINC000876921579 1014421712 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FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)CCCO3)c1 ZINC000729061554 978168436 /nfs/dbraw/zinc/16/84/36/978168436.db2.gz HTPQOJDWZXKXQT-GFCCVEGCSA-N 0 0 370.405 2.542 20 10 FFCDRN CC(C)=CCN1C[C@@]2(CC1=O)CCCCN2C(=O)c1ccc(O)c(O)c1 ZINC001271857229 979158284 /nfs/dbraw/zinc/15/82/84/979158284.db2.gz LCYTYIOKKUKBPL-FQEVSTJZSA-N 0 0 358.438 2.661 20 10 FFCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1cn(C[C@H]2CCOC2)nn1 ZINC000877342700 1014555814 /nfs/dbraw/zinc/55/58/14/1014555814.db2.gz QEEGQEHITTZMFQ-CYBMUJFWSA-N 0 0 364.396 2.869 20 10 FFCDRN CCO[C@H]1COCC[C@@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000760132066 979370065 /nfs/dbraw/zinc/37/00/65/979370065.db2.gz OHFVNRNKQLZHOD-OALUTQOASA-N 0 0 363.502 2.867 20 10 FFCDRN CC[C@](C[NH2+]Cc1ccc(OC)c(OC)c1O)(C(=O)[O-])c1ccccc1 ZINC001595167811 979724400 /nfs/dbraw/zinc/72/44/00/979724400.db2.gz CIRYGPFPFWGRLL-HXUWFJFHSA-N 0 0 359.422 2.932 20 10 FFCDRN O=C1N[C@@H](CC2CCOCC2)C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000904147952 980199567 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O=C(COC(=O)[C@]1(O)CCOC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000840692827 1027207795 /nfs/dbraw/zinc/20/77/95/1027207795.db2.gz CHGQPPWDDOEHCW-IBGZPJMESA-N 0 0 369.377 2.735 20 10 FFCDRN CC(C)(C)OC(=O)Nc1cc(NCC(=O)c2ccc(O)c(O)c2)ncn1 ZINC001159276874 1027333807 /nfs/dbraw/zinc/33/38/07/1027333807.db2.gz NZQMKSVOPIZRTI-UHFFFAOYSA-N 0 0 360.370 2.530 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CC[C@H](Oc3cnccn3)CC2)cc1 ZINC001153098162 1027768996 /nfs/dbraw/zinc/76/89/96/1027768996.db2.gz BLMBWOACLBYWFM-CTYIDZIISA-N 0 0 368.397 2.759 20 10 FFCDRN COc1nc(NCc2c(C)cc(C)cc2O)nc(N2CCCCCC2)n1 ZINC001160811726 1027885878 /nfs/dbraw/zinc/88/58/78/1027885878.db2.gz UVFKJUOFMJNAQC-UHFFFAOYSA-N 0 0 357.458 2.617 20 10 FFCDRN O=C(NCc1ccccc1O)c1cnc2cc(Br)ccc2c1O ZINC001153877733 1028040719 /nfs/dbraw/zinc/04/07/19/1028040719.db2.gz HAVUJNFADNHGAM-UHFFFAOYSA-N 0 0 373.206 2.926 20 10 FFCDRN C[C@@H](NC(=O)c1cc([N+](=O)[O-])ncc1Br)c1ccccc1O ZINC001161736671 1028298565 /nfs/dbraw/zinc/29/85/65/1028298565.db2.gz 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CCN(Cc1cn(C)nn1)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000781802634 1029417148 /nfs/dbraw/zinc/41/71/48/1029417148.db2.gz IVMZKZUPZAQHOK-UHFFFAOYSA-N 0 0 362.453 2.532 20 10 FFCDRN Cc1n[nH]cc1-c1nnc(NC(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000782094074 1029566414 /nfs/dbraw/zinc/56/64/14/1029566414.db2.gz YDJYRQUEGMTNCK-UHFFFAOYSA-N 0 0 371.470 2.933 20 10 FFCDRN CCNC(=O)c1ccc(NCc2cc(Cl)c3cccnc3c2O)nn1 ZINC001157726871 1029652374 /nfs/dbraw/zinc/65/23/74/1029652374.db2.gz CJLKOMIIIRJMRH-UHFFFAOYSA-N 0 0 357.801 2.746 20 10 FFCDRN Cc1ccnn1-c1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000782550620 1029742640 /nfs/dbraw/zinc/74/26/40/1029742640.db2.gz WLBDQWSWBRKROO-UHFFFAOYSA-N 0 0 352.346 2.632 20 10 FFCDRN CC(C)C(C)(C)CNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000782636027 1029769878 /nfs/dbraw/zinc/76/98/78/1029769878.db2.gz UWRSAGRMPDXMSC-QGZVFWFLSA-N 0 0 374.529 2.870 20 10 FFCDRN Cn1cc(-c2ccc(F)c(C(=O)NCCc3ccc(O)c(O)c3)c2)cn1 ZINC000782740185 1029803772 /nfs/dbraw/zinc/80/37/72/1029803772.db2.gz UCUVFEIUAIRQCI-UHFFFAOYSA-N 0 0 355.369 2.610 20 10 FFCDRN COc1c(N[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)cccc1C(N)=O ZINC000782782229 1029818650 /nfs/dbraw/zinc/81/86/50/1029818650.db2.gz CKJAIWDBYOXAFW-ZDUSSCGKSA-N 0 0 373.428 2.943 20 10 FFCDRN COc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1OC(F)F ZINC000782965364 1029866851 /nfs/dbraw/zinc/86/68/51/1029866851.db2.gz XZVVMURQOBVKIC-UHFFFAOYSA-N 0 0 368.288 2.748 20 10 FFCDRN CC(C)(C)n1nc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1C1CC1 ZINC000783027487 1029882044 /nfs/dbraw/zinc/88/20/44/1029882044.db2.gz ZATPYPPQBYFVKI-UHFFFAOYSA-N 0 0 358.394 2.966 20 10 FFCDRN COc1ccc(C[NH2+][C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1C ZINC000840998164 1029967633 /nfs/dbraw/zinc/96/76/33/1029967633.db2.gz OVWKFYHHHKOSBA-MJGOQNOKSA-N 0 0 368.433 2.520 20 10 FFCDRN O=C([O-])[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1=O ZINC000840998155 1029967734 /nfs/dbraw/zinc/96/77/34/1029967734.db2.gz OHALYZIFROCJRF-DOTOQJQBSA-N 0 0 374.824 2.562 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)NC[C@@H]2CCN(c3ccc(Cl)cc3)C2)cc1 ZINC000841022594 1029984353 /nfs/dbraw/zinc/98/43/53/1029984353.db2.gz KEACGLLFOBHHBC-ZDUSSCGKSA-N 0 0 372.856 2.503 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccnc(C3CC3)c2)cc1 ZINC000783242508 1029986282 /nfs/dbraw/zinc/98/62/82/1029986282.db2.gz RVZGWDCMTMUZFQ-UHFFFAOYSA-N 0 0 367.449 2.840 20 10 FFCDRN Nc1ccc(CCNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 ZINC000841027553 1029988033 /nfs/dbraw/zinc/98/80/33/1029988033.db2.gz RRGMFYGWZBJMKQ-UHFFFAOYSA-N 0 0 352.438 2.869 20 10 FFCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)CNC(=O)c1ccco1 ZINC001142123797 1030064639 /nfs/dbraw/zinc/06/46/39/1030064639.db2.gz KQZABBNVMDLHMF-GOSISDBHSA-N 0 0 356.422 2.772 20 10 FFCDRN CCCN1c2ccc(NC(=O)C(=O)Nc3ccc(N)cc3)cc2CCC1=O ZINC000841148896 1030075546 /nfs/dbraw/zinc/07/55/46/1030075546.db2.gz ANIVIKQXIAFZRM-UHFFFAOYSA-N 0 0 366.421 2.535 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)Nc2ccccc2OC2CCCC2)cc1 ZINC000841176189 1030094312 /nfs/dbraw/zinc/09/43/12/1030094312.db2.gz PNKMIDOMVPTIFH-UHFFFAOYSA-N 0 0 367.449 2.888 20 10 FFCDRN Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccc(N)cc3)C2)nc1 ZINC000841301479 1030172135 /nfs/dbraw/zinc/17/21/35/1030172135.db2.gz QWWOSBZOYXWRKV-AWEZNQCLSA-N 0 0 353.426 2.855 20 10 FFCDRN CC(C)[C@H](C(=O)NCc1ccc(O)c(O)c1)[C@@H](C)NC(=O)OC(C)(C)C ZINC000841406257 1030266404 /nfs/dbraw/zinc/26/64/04/1030266404.db2.gz QBJSIZFYWYQXCN-WBMJQRKESA-N 0 0 366.458 2.899 20 10 FFCDRN CO[C@@H](CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)CC(C)C ZINC000841584339 1030349198 /nfs/dbraw/zinc/34/91/98/1030349198.db2.gz ZZDIOKVPWILVAE-VQIMIIECSA-N 0 0 363.502 2.945 20 10 FFCDRN Cc1cc(CCNC(=O)[C@@]2(C)CCCS2(=O)=O)c(C)n1-c1ccccc1 ZINC001534548396 1069660906 /nfs/dbraw/zinc/66/09/06/1069660906.db2.gz BNNJKRHQKQRQQW-HXUWFJFHSA-N 0 0 374.506 2.720 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nc(C)ncc2[N+](=O)[O-])C1 ZINC001166816132 1030531151 /nfs/dbraw/zinc/53/11/51/1030531151.db2.gz UJYVSWZNXVMJFV-UHFFFAOYSA-N 0 0 353.382 2.756 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2c(Cl)nccc2C(N)=O)C1 ZINC001166816439 1030531168 /nfs/dbraw/zinc/53/11/68/1030531168.db2.gz GFJQMLDVZGJSKQ-UHFFFAOYSA-N 0 0 370.840 2.897 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cc3c(nn2)CCOC3)C1 ZINC001166816765 1030531403 /nfs/dbraw/zinc/53/14/03/1030531403.db2.gz NILJULOPNSETAC-UHFFFAOYSA-N 0 0 350.422 2.612 20 10 FFCDRN Cc1cccc(N2CCN(C(=O)NCCc3ccc(N)cc3)CC2)c1C ZINC000841963114 1030563070 /nfs/dbraw/zinc/56/30/70/1030563070.db2.gz WRMXOHBDUIWIKP-UHFFFAOYSA-N 0 0 352.482 2.960 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000784440769 1030621311 /nfs/dbraw/zinc/62/13/11/1030621311.db2.gz BRASMHRLUKFELO-GFCCVEGCSA-N 0 0 354.406 2.784 20 10 FFCDRN O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc(O)c(O)c1 ZINC000784468284 1030635861 /nfs/dbraw/zinc/63/58/61/1030635861.db2.gz PYRROWCHKUIEDW-UHFFFAOYSA-N 0 0 368.301 2.594 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N[C@H](c2ccccc2)C2CCC2)cc1 ZINC000842201700 1030640216 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CO[C@@H]1CCn2cc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)nc2C1 ZINC001352627752 1055665305 /nfs/dbraw/zinc/66/53/05/1055665305.db2.gz WEMNGIGHDQBGRV-GOSISDBHSA-N 0 0 368.481 2.717 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC2(CCC2)O1 ZINC001338915471 1055931033 /nfs/dbraw/zinc/93/10/33/1055931033.db2.gz WBIDJYDZXPZZDK-KRWDZBQOSA-N 0 0 374.481 2.739 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCO[C@@H](c2ccccc2)O1 ZINC000847539615 1056014094 /nfs/dbraw/zinc/01/40/94/1056014094.db2.gz QYZVGEFHAWWTKZ-WIYYLYMNSA-N 0 0 368.433 2.982 20 10 FFCDRN CCOC(=O)CN(CC)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001351262364 1056161495 /nfs/dbraw/zinc/16/14/95/1056161495.db2.gz ACRLCBQVZWIDDS-UHFFFAOYSA-N 0 0 372.465 2.940 20 10 FFCDRN CN(CC(F)(F)F)c1nnc(C2SC=CC2=O)n1C[C@H]1CCCO1 ZINC001358233625 1056205839 /nfs/dbraw/zinc/20/58/39/1056205839.db2.gz ALGCRARNIJKAQZ-SECBINFHSA-N 0 0 362.377 2.890 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1nc(C(C)(C)C)co1)c1ccc(N(C)C)cc1 ZINC001351362504 1056223576 /nfs/dbraw/zinc/22/35/76/1056223576.db2.gz HOQCZOKVDNMDPP-ZDUSSCGKSA-N 0 0 372.469 2.532 20 10 FFCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CCC(CCCO)CC1 ZINC001351384807 1056237373 /nfs/dbraw/zinc/23/73/73/1056237373.db2.gz WDDHDWYRNSXTBB-UHFFFAOYSA-N 0 0 373.482 2.786 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C[C@@H](O)CC[C@H]2C)cc1 ZINC000862018815 1056375064 /nfs/dbraw/zinc/37/50/64/1056375064.db2.gz RHYJZTSSWSWTIW-VLIAUNLRSA-N 0 0 354.450 2.821 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccc4c(n3)OCCO4)C2)cc1 ZINC000847735967 1056492170 /nfs/dbraw/zinc/49/21/70/1056492170.db2.gz VVOSAGDIEFWUIK-CQSZACIVSA-N 0 0 370.405 2.545 20 10 FFCDRN CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@H](C)C(=O)Nc1ccccc1 ZINC001544430397 1071643165 /nfs/dbraw/zinc/64/31/65/1071643165.db2.gz ALJPPPQUOYVKGG-CQSZACIVSA-N 0 0 356.422 2.906 20 10 FFCDRN CCOc1ccc(N2CCN(c3c([N+](=O)[O-])c(C)nn3CC)CC2)cc1 ZINC001339681681 1056703132 /nfs/dbraw/zinc/70/31/32/1056703132.db2.gz MJEAEKDVEPUBEY-UHFFFAOYSA-N 0 0 359.430 2.845 20 10 FFCDRN COC(=O)[C@H](Cc1ccc(F)cc1)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849321595 1056826862 /nfs/dbraw/zinc/82/68/62/1056826862.db2.gz ISUMPVSXFGYKEX-XLIONFOSSA-N 0 0 372.440 2.787 20 10 FFCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N1CSCCSC1 ZINC001544577904 1071663692 /nfs/dbraw/zinc/66/36/92/1071663692.db2.gz VEWRVOQEQZZTEU-ZDUSSCGKSA-N 0 0 367.540 2.564 20 10 FFCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)CN(C)C1=O ZINC001545337209 1071764712 /nfs/dbraw/zinc/76/47/12/1071764712.db2.gz QALKERQYHMBBLP-JLTOFOAXSA-N 0 0 371.485 2.612 20 10 FFCDRN Cc1nccnc1NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001517953033 1058214970 /nfs/dbraw/zinc/21/49/70/1058214970.db2.gz ZBDNIWCGROAXSG-BETUJISGSA-N 0 0 373.432 2.859 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCO[C@@H](C(F)(F)F)C2)n1CC1CC1 ZINC001518347652 1058350157 /nfs/dbraw/zinc/35/01/57/1058350157.db2.gz XDFCHOGRJFSUJG-LLVKDONJSA-N 0 0 374.388 2.890 20 10 FFCDRN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccc(O)c(O)c1 ZINC001445935489 1058456547 /nfs/dbraw/zinc/45/65/47/1058456547.db2.gz BVALHWFYKQYQLO-UHFFFAOYSA-N 0 0 364.785 2.951 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)cc1 ZINC001518694990 1058464407 /nfs/dbraw/zinc/46/44/07/1058464407.db2.gz NGWUWHRELPNKOU-VQTJNVASSA-N 0 0 351.450 2.933 20 10 FFCDRN CC[C@H](C)n1nccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001518801519 1058502032 /nfs/dbraw/zinc/50/20/32/1058502032.db2.gz WIJZLJXMERYOCI-INIZCTEOSA-N 0 0 356.470 2.963 20 10 FFCDRN O=C(c1ccnc2c1CC(=O)N2)N1CCc2cc(Br)ccc21 ZINC001446436870 1058521557 /nfs/dbraw/zinc/52/15/57/1058521557.db2.gz WCMQQCBSYYGZDM-UHFFFAOYSA-N 0 0 358.195 2.542 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(C=O)cc3)CC2)cc1 ZINC001545556725 1071799989 /nfs/dbraw/zinc/79/99/89/1071799989.db2.gz WEJXPJFPNSBQAE-IZZDOVSWSA-N 0 0 350.418 2.870 20 10 FFCDRN Oc1ccc([C@H](O)CNC(=S)Nc2ccc(F)c(Cl)c2)cc1O ZINC001200576167 1058652894 /nfs/dbraw/zinc/65/28/94/1058652894.db2.gz QGNYQOJGSDAEFN-CQSZACIVSA-N 0 0 356.806 2.910 20 10 FFCDRN CCN(CC)c1ccc(Cn2c(CC3CC3)nnc2N2CCOCC2)cc1 ZINC001501843990 1058712293 /nfs/dbraw/zinc/71/22/93/1058712293.db2.gz DTXWYKOMBLEEPY-UHFFFAOYSA-N 0 0 369.513 2.962 20 10 FFCDRN COc1ccc(CNC(=O)c2ccccc2[S@@](=O)C(F)(F)F)c(O)c1 ZINC001448386652 1058773355 /nfs/dbraw/zinc/77/33/55/1058773355.db2.gz WJMOPWULZBBCQC-RUZDIDTESA-N 0 0 373.352 2.958 20 10 FFCDRN CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)c(O)c1 ZINC001545639334 1071823919 /nfs/dbraw/zinc/82/39/19/1071823919.db2.gz KZGZSSYYQOUXPD-CYBMUJFWSA-N 0 0 352.431 2.798 20 10 FFCDRN C[C@H](NC(=O)[C@H]1Cc2cccnc2C1)c1ccc(N2CCOCC2)cc1 ZINC001354400288 1058947462 /nfs/dbraw/zinc/94/74/62/1058947462.db2.gz FBBTZMQFNXLYLH-YJBOKZPZSA-N 0 0 351.450 2.510 20 10 FFCDRN CN(C)c1ccc(Cn2c(CC3CC3)nnc2N2CCCOCC2)cc1F ZINC001503392560 1059019269 /nfs/dbraw/zinc/01/92/69/1059019269.db2.gz FIILHATYOZEJRV-UHFFFAOYSA-N 0 0 373.476 2.711 20 10 FFCDRN CCNc1cccnc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001519783974 1059063147 /nfs/dbraw/zinc/06/31/47/1059063147.db2.gz JNAZQMJAAJNQBQ-UHFFFAOYSA-N 0 0 358.417 2.624 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCC(C)(COC)CC1 ZINC001514777749 1059089805 /nfs/dbraw/zinc/08/98/05/1059089805.db2.gz XGBCMLNWSRTRDH-UHFFFAOYSA-N 0 0 366.487 2.612 20 10 FFCDRN CCc1nnc(N2CCO[C@@H](CC)C2)n1Cc1ccc2c(c1)CCCN2C ZINC001546552813 1071837659 /nfs/dbraw/zinc/83/76/59/1071837659.db2.gz HARVZMDXLJADQB-SFHVURJKSA-N 0 0 369.513 2.886 20 10 FFCDRN CC(C)[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC001354687300 1059364514 /nfs/dbraw/zinc/36/45/14/1059364514.db2.gz CVSQUCVIZAFWOX-QFBILLFUSA-N 0 0 364.461 2.730 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(Br)cnn1CC ZINC001520169185 1059447388 /nfs/dbraw/zinc/44/73/88/1059447388.db2.gz KSLYOEWIMNGQBX-UHFFFAOYSA-N 0 0 373.247 2.787 20 10 FFCDRN CCN1C(=O)C[C@@H](C(=O)NCc2ccc(N)cc2)[C@@H]1c1cccc(C)c1 ZINC001515332251 1059565388 /nfs/dbraw/zinc/56/53/88/1059565388.db2.gz JHMPGNOEQKXAGX-QUCCMNQESA-N 0 0 351.450 2.803 20 10 FFCDRN Cc1cc(OCC(=O)NCc2cc(O)ccc2O)ccc1Br ZINC001455354487 1059768875 /nfs/dbraw/zinc/76/88/75/1059768875.db2.gz NUPFKBZLAXEHJX-UHFFFAOYSA-N 0 0 366.211 2.864 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC3(C(F)(F)F)CC3)CC2)cc1F ZINC001355013875 1059770243 /nfs/dbraw/zinc/77/02/43/1059770243.db2.gz FJZUYQNAMBACEI-UHFFFAOYSA-N 0 0 361.339 2.761 20 10 FFCDRN CC(C)(C)OC(=O)NC1(C(=O)NCc2c(O)cccc2F)CCCC1 ZINC001456030876 1059990039 /nfs/dbraw/zinc/99/00/39/1059990039.db2.gz SFGUHKYBKQCYBZ-UHFFFAOYSA-N 0 0 352.406 2.985 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001456086595 1060010273 /nfs/dbraw/zinc/01/02/73/1060010273.db2.gz FRUZCMXONKULOY-UHFFFAOYSA-N 0 0 356.313 2.555 20 10 FFCDRN Cc1cc(C)n(-c2ccc(CC(=O)NCc3c(O)cccc3O)cc2)n1 ZINC001456237699 1060067340 /nfs/dbraw/zinc/06/73/40/1060067340.db2.gz WAHADJLZFIDUDA-UHFFFAOYSA-N 0 0 351.406 2.759 20 10 FFCDRN CO[C@@H]1CCOC[C@H]1NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001456286919 1060080325 /nfs/dbraw/zinc/08/03/25/1060080325.db2.gz BHCCZZLSEQTTGA-UYAOXDASSA-N 0 0 370.449 2.749 20 10 FFCDRN Cc1sc([C@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nc1C(=O)[O-] ZINC001355416702 1060224356 /nfs/dbraw/zinc/22/43/56/1060224356.db2.gz LMTPHNPOSQIPNY-ZDUSSCGKSA-N 0 0 374.510 2.752 20 10 FFCDRN Cn1ccnc1[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F ZINC001457391490 1060361450 /nfs/dbraw/zinc/36/14/50/1060361450.db2.gz WPOIFUZVICKHLD-SNVBAGLBSA-N 0 0 354.292 2.616 20 10 FFCDRN CCN(CC)c1ccc(CN(C)c2nnc(CCO)n2CC2CC2)cc1 ZINC001521074238 1060363143 /nfs/dbraw/zinc/36/31/43/1060363143.db2.gz MUPSAZLZALLFDN-UHFFFAOYSA-N 0 0 357.502 2.706 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCC(=O)NC(C)(C)C ZINC001517146661 1060369228 /nfs/dbraw/zinc/36/92/28/1060369228.db2.gz GKHGJIOXNUQNFR-UHFFFAOYSA-N 0 0 371.485 2.802 20 10 FFCDRN COC(=O)c1csc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC001459864515 1060835524 /nfs/dbraw/zinc/83/55/24/1060835524.db2.gz AYRLWIJNCPQESO-ZDUSSCGKSA-N 0 0 361.467 2.617 20 10 FFCDRN Cc1cnc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1C ZINC001460739513 1061081710 /nfs/dbraw/zinc/08/17/10/1061081710.db2.gz FNXZNZZKSSCYMP-UHFFFAOYSA-N 0 0 361.392 2.743 20 10 FFCDRN Cc1cc(Br)c(O)c(CN[C@@H](C(N)=O)c2ccc(F)cc2)c1 ZINC001461417496 1061313298 /nfs/dbraw/zinc/31/32/98/1061313298.db2.gz KMZFRKTVFZNPHX-CQSZACIVSA-N 0 0 367.218 2.918 20 10 FFCDRN COc1cc(NC(=O)NCc2c(O)cccc2F)cc(OC)c1OC ZINC001475946421 1061316262 /nfs/dbraw/zinc/31/62/62/1061316262.db2.gz VFSRREGSALQTDY-UHFFFAOYSA-N 0 0 350.346 2.879 20 10 FFCDRN CCn1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC001526967635 1061342213 /nfs/dbraw/zinc/34/22/13/1061342213.db2.gz JTRWMJWXPBWGIN-ZDUSSCGKSA-N 0 0 362.861 2.884 20 10 FFCDRN COc1ccc2c(c1)CCCN2CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O ZINC000766342697 1061695561 /nfs/dbraw/zinc/69/55/61/1061695561.db2.gz VQUDKMGWKRNNJB-UHFFFAOYSA-N 0 0 367.361 2.610 20 10 FFCDRN O=S(=O)(C[C@H]1CC[C@@H](C2CC2)O1)NCCCSc1nccs1 ZINC001463041436 1061906541 /nfs/dbraw/zinc/90/65/41/1061906541.db2.gz KYBJSZFCTURTPD-OLZOCXBDSA-N 0 0 362.542 2.502 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N1CCC(F)(F)CC1 ZINC001463185027 1061978036 /nfs/dbraw/zinc/97/80/36/1061978036.db2.gz ULKVGAQNBQBLMZ-UHFFFAOYSA-N 0 0 367.440 2.836 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1F ZINC001528620548 1061981074 /nfs/dbraw/zinc/98/10/74/1061981074.db2.gz WRJJIRITSQNGFU-CQSZACIVSA-N 0 0 373.403 2.700 20 10 FFCDRN CCC[C@@H](C)C(=O)NCCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001478685916 1062084973 /nfs/dbraw/zinc/08/49/73/1062084973.db2.gz WFIBLSMUUUMDST-QGZVFWFLSA-N 0 0 374.529 2.981 20 10 FFCDRN Cc1cc(C)c2c(c1)N(S(=O)(=O)c1cccc3nsnc31)CCO2 ZINC001464003100 1062374187 /nfs/dbraw/zinc/37/41/87/1062374187.db2.gz CAOZKYQRMSYTRQ-UHFFFAOYSA-N 0 0 361.448 2.896 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-n2ccnn2)ccc1F ZINC001435285038 1062436769 /nfs/dbraw/zinc/43/67/69/1062436769.db2.gz AGDSOVRZIZTQNM-UHFFFAOYSA-N 0 0 367.384 2.512 20 10 FFCDRN COc1cccc(CC(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c1 ZINC001530968699 1062672815 /nfs/dbraw/zinc/67/28/15/1062672815.db2.gz XDXCYSXHFUZXMI-UHFFFAOYSA-N 0 0 370.449 2.604 20 10 FFCDRN Cc1nc2ccc(S(=O)(=O)NCc3c(O)cccc3F)cc2s1 ZINC001464598414 1062705989 /nfs/dbraw/zinc/70/59/89/1062705989.db2.gz QVXLKBCIBWACEZ-UHFFFAOYSA-N 0 0 352.412 2.928 20 10 FFCDRN Cc1ccc2c(c1)C(=O)O[C@@](C)(C(=O)NCc1ccc(N(C)C)cc1)C2 ZINC001531321883 1062742150 /nfs/dbraw/zinc/74/21/50/1062742150.db2.gz SCOSNVDYMOJNTF-OAQYLSRUSA-N 0 0 352.434 2.849 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@H]12 ZINC001531705338 1062852579 /nfs/dbraw/zinc/85/25/79/1062852579.db2.gz DUMQSCKMBLPSJS-AQNXPRMDSA-N 0 0 369.509 2.940 20 10 FFCDRN CCn1ncc(C)c1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)c(C)c1 ZINC001531816467 1062885649 /nfs/dbraw/zinc/88/56/49/1062885649.db2.gz DKECMRVIMLBFJS-UHFFFAOYSA-N 0 0 368.462 2.988 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](OC)C3CCCC3)CC2)c(OC)c1 ZINC001438187236 1062967272 /nfs/dbraw/zinc/96/72/72/1062967272.db2.gz YQOFEZOPFKBSIS-LJQANCHMSA-N 0 0 362.470 2.558 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C ZINC001465844557 1063234633 /nfs/dbraw/zinc/23/46/33/1063234633.db2.gz RNITVNCPCNYTCC-MRXNPFEDSA-N 0 0 372.425 2.566 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc2c([nH]c1=O)CCOC2 ZINC001440714427 1063345288 /nfs/dbraw/zinc/34/52/88/1063345288.db2.gz XLGFHLMGBZGQGJ-UHFFFAOYSA-N 0 0 367.449 2.732 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)CONC(=O)OC(C)(C)C)C2CC2)cc1 ZINC001441132966 1063400570 /nfs/dbraw/zinc/40/05/70/1063400570.db2.gz RVHJBJINXDIJBO-UHFFFAOYSA-N 0 0 363.458 2.700 20 10 FFCDRN COC(=O)c1cc(NC(=O)NCCc2ccc(O)c(O)c2)c(C)s1 ZINC001466793303 1063558655 /nfs/dbraw/zinc/55/86/55/1063558655.db2.gz QRYVGUIPDLXOEO-UHFFFAOYSA-N 0 0 350.396 2.619 20 10 FFCDRN O=C(NCCCn1ccnc1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894005 1063586638 /nfs/dbraw/zinc/58/66/38/1063586638.db2.gz JRSDRJGKWVUCEG-UHFFFAOYSA-N 0 0 361.409 2.805 20 10 FFCDRN C[C@@H](NC(=O)Nc1cccc(N2C(=O)CCC2=O)c1)c1ccccc1O ZINC001467526591 1063769890 /nfs/dbraw/zinc/76/98/90/1063769890.db2.gz RPLSPMJPUHXPHS-GFCCVEGCSA-N 0 0 353.378 2.928 20 10 FFCDRN Cc1cccc(CC2(O)CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)c1 ZINC001467669790 1063814145 /nfs/dbraw/zinc/81/41/45/1063814145.db2.gz IUCPBGIFWROIJD-UHFFFAOYSA-N 0 0 355.434 2.545 20 10 FFCDRN C[C@@H]1CN(C(C)(C)CNC(=O)NCc2cccc(Cl)c2O)C[C@@H](C)O1 ZINC001467898378 1063879098 /nfs/dbraw/zinc/87/90/98/1063879098.db2.gz NNIUWOYLMUXACK-CHWSQXEVSA-N 0 0 369.893 2.733 20 10 FFCDRN Cc1nccn1-c1ncccc1CNC(=O)N[C@H](C)c1ccccc1O ZINC001468177515 1063938386 /nfs/dbraw/zinc/93/83/86/1063938386.db2.gz UUEJPMKDGFDDJQ-CYBMUJFWSA-N 0 0 351.410 2.842 20 10 FFCDRN CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001469698998 1064194649 /nfs/dbraw/zinc/19/46/49/1064194649.db2.gz SCTRZVNETWYVGZ-GOSISDBHSA-N 0 0 355.369 2.751 20 10 FFCDRN COC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(OC)c1 ZINC001469898084 1064225713 /nfs/dbraw/zinc/22/57/13/1064225713.db2.gz LJVKIUWZUDCLFG-MRXNPFEDSA-N 0 0 356.382 2.975 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)c1 ZINC001470255520 1064289573 /nfs/dbraw/zinc/28/95/73/1064289573.db2.gz XNDAXIDDFQJLJM-UHFFFAOYSA-N 0 0 355.369 2.639 20 10 FFCDRN C[C@@H](NC(=O)c1ccccc1S(=O)(=O)C(F)F)c1ccccc1O ZINC001471195672 1064597487 /nfs/dbraw/zinc/59/74/87/1064597487.db2.gz KTUDARHDNBZGFL-SNVBAGLBSA-N 0 0 355.362 2.880 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCN2CCc3ccccc32)c1 ZINC001471289100 1064626760 /nfs/dbraw/zinc/62/67/60/1064626760.db2.gz MGKKQZPCGKFXKZ-CQSZACIVSA-N 0 0 355.438 2.824 20 10 FFCDRN COc1ccc(CCNC(=O)c2c(F)ccc(O)c2O)cc1OC(F)F ZINC001472500870 1065082445 /nfs/dbraw/zinc/08/24/45/1065082445.db2.gz QBWLQMAJCYAZRU-UHFFFAOYSA-N 0 0 371.311 2.819 20 10 FFCDRN O=c1[nH]c(NCc2c(O)cccc2F)nc2c1cnn2-c1ccccc1 ZINC001472883315 1065166972 /nfs/dbraw/zinc/16/69/72/1065166972.db2.gz PBZFOSCBWRLPJH-UHFFFAOYSA-N 0 0 351.341 2.978 20 10 FFCDRN COc1ccc(N(CCC(C)C)CC(=O)N=[S@](C)(=O)N(C)C)cc1 ZINC001473445180 1065264037 /nfs/dbraw/zinc/26/40/37/1065264037.db2.gz BLOAMQQCCWAPLX-DEOSSOPVSA-N 0 0 355.504 2.649 20 10 FFCDRN Cc1nc([C@@H]2CCCN2CC(=O)NCc2ccc(N(C)C)cc2)[nH]c1C ZINC001473790586 1065362757 /nfs/dbraw/zinc/36/27/57/1065362757.db2.gz LGTQIHYSDDPZNJ-SFHVURJKSA-N 0 0 355.486 2.546 20 10 FFCDRN Cc1cccc2nc(CNCc3ccc(N4CCN(C)CC4)c(F)c3)cn21 ZINC001473996951 1065436375 /nfs/dbraw/zinc/43/63/75/1065436375.db2.gz GOFLENOGCWWSGK-UHFFFAOYSA-N 0 0 367.472 2.823 20 10 FFCDRN C[C@H]1CN=C(N2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)S1 ZINC001474312880 1065492080 /nfs/dbraw/zinc/49/20/80/1065492080.db2.gz QYGXLUTXCANXRN-LBPRGKRZSA-N 0 0 354.470 2.640 20 10 FFCDRN COc1cccc2c1nc(NCc1ccc([N+](=O)[O-])c(OC)c1O)n2C ZINC001474764027 1065599968 /nfs/dbraw/zinc/59/99/68/1065599968.db2.gz OSJWVZCSKUHFCP-UHFFFAOYSA-N 0 0 358.354 2.816 20 10 FFCDRN CCN(Cc1cn[nH]n1)c1nnc(C)n1Cc1ccc(N(CC)CC)cc1 ZINC001576523650 1078239088 /nfs/dbraw/zinc/23/90/88/1078239088.db2.gz TVLRCTIYQLGQJK-UHFFFAOYSA-N 0 0 368.489 2.626 20 10 FFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N(Cc1cn[nH]n1)C1CC1 ZINC001578025026 1078428043 /nfs/dbraw/zinc/42/80/43/1078428043.db2.gz MSFNAPYBGLWKAP-UHFFFAOYSA-N 0 0 374.408 2.711 20 10 FFCDRN COc1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1-c1nn[nH]n1 ZINC001580039812 1078736598 /nfs/dbraw/zinc/73/65/98/1078736598.db2.gz CALMCCHLXJHNDB-UHFFFAOYSA-N 0 0 374.788 2.556 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)[C@H]3C[C@@H]3C3CCCC3)CC2)cc1 ZINC001583752311 1079259444 /nfs/dbraw/zinc/25/94/44/1079259444.db2.gz MHFGDSHUTIWRSI-RTWAWAEBSA-N 0 0 371.525 2.760 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H]1CC(=O)N(CC(C)C)C1 ZINC001584089641 1079304678 /nfs/dbraw/zinc/30/46/78/1079304678.db2.gz SADYZMOVYINHNW-FUHWJXTLSA-N 0 0 359.514 2.613 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1nc2ncccn2n1 ZINC001557061833 1075803928 /nfs/dbraw/zinc/80/39/28/1075803928.db2.gz JCURRXQQBSFNTJ-UHFFFAOYSA-N 0 0 360.421 2.770 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(C)c(C=O)s1 ZINC001557113160 1075809348 /nfs/dbraw/zinc/80/93/48/1075809348.db2.gz AZAXXGZXYJEGJV-UHFFFAOYSA-N 0 0 361.419 2.780 20 10 FFCDRN COc1cc(C(=O)NCc2ccc3cccnc3c2O)cc(OC)c1O ZINC001557123447 1075811271 /nfs/dbraw/zinc/81/12/71/1075811271.db2.gz OTTJWRLECDFSBW-UHFFFAOYSA-N 0 0 354.362 2.593 20 10 FFCDRN COCCCN(Cc1ccncc1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001585529399 1079471507 /nfs/dbraw/zinc/47/15/07/1079471507.db2.gz FZLINPPVYVRMBP-UHFFFAOYSA-N 0 0 355.398 2.923 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2[nH]ncc2C(F)(F)F)cc1 ZINC001557355496 1075841812 /nfs/dbraw/zinc/84/18/12/1075841812.db2.gz GWIDHCVOBDONQG-UHFFFAOYSA-N 0 0 356.348 2.646 20 10 FFCDRN C[C@H]1C(=O)Nc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc2N1C ZINC001557386296 1075844539 /nfs/dbraw/zinc/84/45/39/1075844539.db2.gz GCEJNXVORXFOJU-JTQLQIEISA-N 0 0 359.813 2.752 20 10 FFCDRN COc1ccc(-n2nnc(C(=O)N[C@@H](C)c3ccccc3O)c2C)cc1 ZINC001557967873 1075919224 /nfs/dbraw/zinc/91/92/24/1075919224.db2.gz NGLBAKLYQHWHLC-LBPRGKRZSA-N 0 0 352.394 2.781 20 10 FFCDRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1cc(O)ccc1O ZINC001558175375 1075956701 /nfs/dbraw/zinc/95/67/01/1075956701.db2.gz OEUJEPDNGDRJOE-JTQLQIEISA-N 0 0 366.211 2.944 20 10 FFCDRN CCN(CC(OC)OC)C(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001558333020 1075983821 /nfs/dbraw/zinc/98/38/21/1075983821.db2.gz NUSOEGJGHSXZTF-UHFFFAOYSA-N 0 0 358.438 2.988 20 10 FFCDRN O=C(COc1ccccc1OCC(F)(F)F)NCc1c(O)cccc1O ZINC001558534912 1076027158 /nfs/dbraw/zinc/02/71/58/1076027158.db2.gz ZSEBKFLQZVQQGF-UHFFFAOYSA-N 0 0 371.311 2.734 20 10 FFCDRN NC(=O)c1cn(CC(=O)NCc2c(O)ccc3ccccc32)c2ccccc12 ZINC001558554593 1076031910 /nfs/dbraw/zinc/03/19/10/1076031910.db2.gz SQSBDAIXGXWGCJ-UHFFFAOYSA-N 0 0 373.412 2.915 20 10 FFCDRN Cc1cc(C(=O)N2CCN(CC(C)(F)F)CC2)c(C)n1-c1ccccn1 ZINC001558585698 1076039656 /nfs/dbraw/zinc/03/96/56/1076039656.db2.gz KXJBJHBIGYJFKS-UHFFFAOYSA-N 0 0 362.424 2.902 20 10 FFCDRN CCc1cc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)nc(CC)n1 ZINC001559184806 1076132774 /nfs/dbraw/zinc/13/27/74/1076132774.db2.gz VMOKXVILNSCLKJ-UHFFFAOYSA-N 0 0 367.497 2.882 20 10 FFCDRN COC(=O)c1c(OC)nsc1CN[C@@H](C)c1cc(OC)ccc1O ZINC001560814615 1076301305 /nfs/dbraw/zinc/30/13/05/1076301305.db2.gz CRTXHBAEKCBQPD-VIFPVBQESA-N 0 0 352.412 2.503 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H]1CCO[C@@H](C)C1 ZINC001561102625 1076332894 /nfs/dbraw/zinc/33/28/94/1076332894.db2.gz RMMVUVXKVNPNFA-DOTOQJQBSA-N 0 0 354.516 2.719 20 10 FFCDRN O=S(=O)(NCc1cc(Cl)ccc1O)N1CC[C@@H]2CCCC[C@H]2C1 ZINC001561724863 1076413234 /nfs/dbraw/zinc/41/32/34/1076413234.db2.gz FWLGWBFEIASGLB-STQMWFEESA-N 0 0 358.891 2.892 20 10 FFCDRN COCC[C@@H]1CCN(S(=O)(=O)c2cccc3nonc32)c2ccccc21 ZINC001562016712 1076466949 /nfs/dbraw/zinc/46/69/49/1076466949.db2.gz ANRAJORNUSGWHT-ZDUSSCGKSA-N 0 0 373.434 2.942 20 10 FFCDRN NC(=O)c1cnc(NC(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC001563392483 1076550069 /nfs/dbraw/zinc/55/00/69/1076550069.db2.gz PLDCKVOYKUUCII-UHFFFAOYSA-N 0 0 372.406 2.775 20 10 FFCDRN C[C@H](NC(=O)NCCN1CCN(c2ccccc2)CC1)c1ccccc1O ZINC001563443530 1076554981 /nfs/dbraw/zinc/55/49/81/1076554981.db2.gz STNVVOREZKJWLD-KRWDZBQOSA-N 0 0 368.481 2.575 20 10 FFCDRN Cc1cc(CNC(=O)N[C@H](C)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC001563470716 1076558792 /nfs/dbraw/zinc/55/87/92/1076558792.db2.gz JPQVIISEMKSTOG-MRXNPFEDSA-N 0 0 370.497 2.614 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N(C)[C@H]2CCCCN(C)C2=O)cc1 ZINC001563693132 1076576212 /nfs/dbraw/zinc/57/62/12/1076576212.db2.gz FQXYRTQZPGOJKB-SFHVURJKSA-N 0 0 360.502 2.685 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O ZINC001565702271 1076755643 /nfs/dbraw/zinc/75/56/43/1076755643.db2.gz YQTNIULQWUTZSH-KRWDZBQOSA-N 0 0 355.413 2.627 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c(C)n1-c1cccc(C)c1 ZINC001566175436 1076928886 /nfs/dbraw/zinc/92/88/86/1076928886.db2.gz KTJLVMJZKMFMQA-SFHVURJKSA-N 0 0 367.449 2.668 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2Cc3cc(F)ccc3NC2=O)c1 ZINC001566374640 1076953038 /nfs/dbraw/zinc/95/30/38/1076953038.db2.gz OUTCXBQLKIMQHJ-BONVTDFDSA-N 0 0 358.369 2.528 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H](Nc2ncccn2)CC1 ZINC001567467958 1077030262 /nfs/dbraw/zinc/03/02/62/1077030262.db2.gz WLDQTKSOUBJGCU-FVQBIDKESA-N 0 0 370.453 2.606 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCN2C[C@@H](F)C[C@H]2C1 ZINC001569471972 1077147941 /nfs/dbraw/zinc/14/79/41/1077147941.db2.gz DWUILHNUXXSRPG-ROUUACIJSA-N 0 0 369.440 2.775 20 10 FFCDRN O=C(Cc1ccc(Br)cc1F)NCc1ccc(O)cc1O ZINC001570463122 1077207690 /nfs/dbraw/zinc/20/76/90/1077207690.db2.gz HFXKAYFKFLPOJC-UHFFFAOYSA-N 0 0 354.175 2.858 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCO[C@@H](c3cccnc3)C2)cc1 ZINC001570623611 1077219034 /nfs/dbraw/zinc/21/90/34/1077219034.db2.gz RMGSJGQLAYNNJK-HZPDHXFCSA-N 0 0 353.382 2.894 20 10 FFCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NC(=O)CC1(C)CC1 ZINC001572910463 1077428007 /nfs/dbraw/zinc/42/80/07/1077428007.db2.gz YHQVCHGNEMQBJZ-IUODEOHRSA-N 0 0 371.441 2.616 20 10 FFCDRN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2nsc3ccccc32)c1 ZINC001585922730 1079513747 /nfs/dbraw/zinc/51/37/47/1079513747.db2.gz RSZUGQQBINIJCQ-FPLPWBNLSA-N 0 0 352.419 2.727 20 10 FFCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)NC2=NCC(=O)N2C)cc1 ZINC001585995544 1079522550 /nfs/dbraw/zinc/52/25/50/1079522550.db2.gz ISDPAVWPDKOVAJ-UHFFFAOYSA-N 0 0 364.409 2.726 20 10 FFCDRN C[C@H](NC(=O)c1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC001589945357 1080889580 /nfs/dbraw/zinc/88/95/80/1080889580.db2.gz SUWKXRCZAZQSLK-NSHDSACASA-N 0 0 354.389 2.563 20 10 FFCDRN C[C@@H](Nc1ccc(N2CCCC2)nc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589981169 1080920178 /nfs/dbraw/zinc/92/01/78/1080920178.db2.gz JYLFNBFDPLSDSZ-GFCCVEGCSA-N 0 0 351.414 2.741 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C2CC2)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000104950308 209263306 /nfs/dbraw/zinc/26/33/06/209263306.db2.gz RCBXIHYIECRNQR-IBGZPJMESA-N 0 0 372.490 2.886 20 10 FFCDRN CCNS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000047232969 220990203 /nfs/dbraw/zinc/99/02/03/220990203.db2.gz DORXUQNFQXEBBL-UHFFFAOYSA-N 0 0 373.478 2.837 20 10 FFCDRN CCC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054285552 136125495 /nfs/dbraw/zinc/12/54/95/136125495.db2.gz RJDWLJQYOIMFFN-UHFFFAOYSA-N 0 0 367.449 2.802 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 ZINC000053752673 506438735 /nfs/dbraw/zinc/43/87/35/506438735.db2.gz KWLBPMKEXQVPMZ-UHFFFAOYSA-N 0 0 356.382 2.753 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccnc1OCCOC ZINC000066699690 506614262 /nfs/dbraw/zinc/61/42/62/506614262.db2.gz YWFVZDGSYLGSMH-UHFFFAOYSA-N 0 0 373.453 2.934 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000066700354 506614790 /nfs/dbraw/zinc/61/47/90/506614790.db2.gz MTIDCNBTQHAUQD-QGZVFWFLSA-N 0 0 369.469 2.773 20 10 FFCDRN COCCCN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000066985434 506719502 /nfs/dbraw/zinc/71/95/02/506719502.db2.gz KGPXTRQKCBICDL-GASCZTMLSA-N 0 0 367.465 2.617 20 10 FFCDRN COc1ccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1F ZINC000016134944 507076109 /nfs/dbraw/zinc/07/61/09/507076109.db2.gz RMUVPQLLYJXJRW-UHFFFAOYSA-N 0 0 372.440 2.872 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(C(=O)NC)c1 ZINC000047000554 507245138 /nfs/dbraw/zinc/24/51/38/507245138.db2.gz AZKOWZMGRAQSJP-UHFFFAOYSA-N 0 0 368.481 2.844 20 10 FFCDRN Cc1cc(C)c(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C)c1 ZINC000023398000 507350726 /nfs/dbraw/zinc/35/07/26/507350726.db2.gz ZPWYQSNERSWCDM-UHFFFAOYSA-N 0 0 368.480 2.784 20 10 FFCDRN CN(C)C(=O)COc1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000047580821 507359662 /nfs/dbraw/zinc/35/96/62/507359662.db2.gz DAOXBIFFQOBUPV-UHFFFAOYSA-N 0 0 357.410 2.523 20 10 FFCDRN COc1ccc(N2CCCN([C@@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 ZINC000052467004 507810273 /nfs/dbraw/zinc/81/02/73/507810273.db2.gz WSHNPMJWPVHEBX-HNNXBMFYSA-N 0 0 358.442 2.531 20 10 FFCDRN CCn1nc(C)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1C ZINC000089475112 507842158 /nfs/dbraw/zinc/84/21/58/507842158.db2.gz BVSHUVOESMQLGG-UHFFFAOYSA-N 0 0 357.458 2.678 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OCC2CC2)cc1 ZINC000072692684 507843051 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374.393 2.561 20 10 FFCDRN Cn1cc([C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccc(F)cc2)cn1 ZINC000186853251 509913304 /nfs/dbraw/zinc/91/33/04/509913304.db2.gz OZQJOCHBRYLYTJ-UTJZZEGQSA-N 0 0 367.380 2.889 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCC[C@H]1C ZINC000171067364 509919946 /nfs/dbraw/zinc/91/99/46/509919946.db2.gz OVNPBRDBHQXEAM-SJORKVTESA-N 0 0 372.513 2.876 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(O[C@@H]2CCOC2)cc1 ZINC000268499225 509970234 /nfs/dbraw/zinc/97/02/34/509970234.db2.gz SHXORHNRYUEVPP-MRXNPFEDSA-N 0 0 358.394 2.630 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@@]34CCOC4=O)cc2)CC1 ZINC000187057562 510031312 /nfs/dbraw/zinc/03/13/12/510031312.db2.gz LZEBDCQDMGURJJ-NRFANRHFSA-N 0 0 371.481 2.914 20 10 FFCDRN O=C(NCCc1ccncc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000268603901 510032035 /nfs/dbraw/zinc/03/20/35/510032035.db2.gz HEKQPGSNKWHXLU-GOSISDBHSA-N 0 0 355.438 2.721 20 10 FFCDRN CSC(C)(C)CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000174349356 510072074 /nfs/dbraw/zinc/07/20/74/510072074.db2.gz QGTLGTHDILYWSP-UHFFFAOYSA-N 0 0 351.516 2.806 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000194003436 510170415 /nfs/dbraw/zinc/17/04/15/510170415.db2.gz MWBMAALGIRYPQV-LBPRGKRZSA-N 0 0 367.409 2.646 20 10 FFCDRN Nc1ccc(NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 ZINC000269132783 510251248 /nfs/dbraw/zinc/25/12/48/510251248.db2.gz PAOAZYQJAWUTCP-UHFFFAOYSA-N 0 0 356.470 2.865 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(C(=O)N(C)C)c(C)c2)c1O ZINC000265841791 510258718 /nfs/dbraw/zinc/25/87/18/510258718.db2.gz HEUWJNOPFYLFFL-UHFFFAOYSA-N 0 0 357.410 2.733 20 10 FFCDRN Cc1cc(C)c(CNC(=O)NCc2ccc(N3CC=CC3)cc2)c(=O)[nH]1 ZINC000265843337 510259643 /nfs/dbraw/zinc/25/96/43/510259643.db2.gz HTSXXVLWXUDCCF-UHFFFAOYSA-N 0 0 352.438 2.780 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)nc(=O)[nH]1 ZINC000269167617 510268501 /nfs/dbraw/zinc/26/85/01/510268501.db2.gz QMVCAPQCPCXTLS-UHFFFAOYSA-N 0 0 366.215 2.621 20 10 FFCDRN O=C(Nc1nc2ccccn2n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000184345464 510275996 /nfs/dbraw/zinc/27/59/96/510275996.db2.gz QPWQTFYVVRSHGE-HNNXBMFYSA-N 0 0 367.409 2.648 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCOC3=O)cc2)cc1 ZINC000181148840 510287009 /nfs/dbraw/zinc/28/70/09/510287009.db2.gz NKGXCMYCPWGWIG-UHFFFAOYSA-N 0 0 368.437 2.709 20 10 FFCDRN CCOc1ccc(/C=C/C(=O)NCCc2ccc(O)c(O)c2)cc1OC ZINC000269237099 510304010 /nfs/dbraw/zinc/30/40/10/510304010.db2.gz UXGTZMLSZBHECP-RMKNXTFCSA-N 0 0 357.406 2.877 20 10 FFCDRN COC(=O)[C@@H]1CC12CCN(C(=O)NCc1ccc(N3CC=CC3)cc1)CC2 ZINC000265966529 510328608 /nfs/dbraw/zinc/32/86/08/510328608.db2.gz SDIXDOMQUFSYFG-SFHVURJKSA-N 0 0 369.465 2.548 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)CCc3c(C)n[nH]c3C)CC2)cc1 ZINC000194409850 510350672 /nfs/dbraw/zinc/35/06/72/510350672.db2.gz XZVCGKIWVJNFNX-UHFFFAOYSA-N 0 0 356.470 2.707 20 10 FFCDRN COC(=O)c1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)o1 ZINC000269342653 510350841 /nfs/dbraw/zinc/35/08/41/510350841.db2.gz CHPMDNCIYKMOCY-AWEZNQCLSA-N 0 0 359.378 2.593 20 10 FFCDRN Nc1ccc([N+](=O)[O-])cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000184514815 510367297 /nfs/dbraw/zinc/36/72/97/510367297.db2.gz VRYHOVOGBUKNRW-OAHLLOKOSA-N 0 0 371.393 2.704 20 10 FFCDRN COc1cc(Cl)cc(CN2CCC[C@@H]2C(=O)NCc2ccco2)c1O ZINC000184678206 510455930 /nfs/dbraw/zinc/45/59/30/510455930.db2.gz NJQGKYZZNBLOJM-OAHLLOKOSA-N 0 0 364.829 2.928 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H](C)COC ZINC000175098823 510482087 /nfs/dbraw/zinc/48/20/87/510482087.db2.gz UMRHTJWYOFMQOZ-LLVKDONJSA-N 0 0 359.264 2.969 20 10 FFCDRN COc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc2c1OCCO2 ZINC000266329361 510521779 /nfs/dbraw/zinc/52/17/79/510521779.db2.gz JGMHMYLAMNPKEV-UHFFFAOYSA-N 0 0 370.405 2.572 20 10 FFCDRN Cc1nn(C)c2nc(C)c(C(=O)N3CCOc4cc(N(C)C)ccc43)cc12 ZINC000266343404 510528922 /nfs/dbraw/zinc/52/89/22/510528922.db2.gz MVVHNXMHPLZLKA-UHFFFAOYSA-N 0 0 365.437 2.690 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CCC2(CC1)OCCO2 ZINC000191177252 510533908 /nfs/dbraw/zinc/53/39/08/510533908.db2.gz HUCZKBFGIOXCOJ-UHFFFAOYSA-N 0 0 360.454 2.801 20 10 FFCDRN CCOCCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1 ZINC000269778239 510543044 /nfs/dbraw/zinc/54/30/44/510543044.db2.gz JTXHKKOHTLCSHV-UHFFFAOYSA-N 0 0 365.451 2.628 20 10 FFCDRN O=Cc1ccccc1OCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269787515 510546417 /nfs/dbraw/zinc/54/64/17/510546417.db2.gz IIBPFBPUFTWJJF-GOSISDBHSA-N 0 0 369.417 2.791 20 10 FFCDRN Cc1cc(O)c(CNc2ncn(CC(=O)NCc3ccccc3)n2)cc1C ZINC000188011425 510548455 /nfs/dbraw/zinc/54/84/55/510548455.db2.gz OYBSMPBSCYIRQR-UHFFFAOYSA-N 0 0 365.437 2.529 20 10 FFCDRN [O-]c1c(Cl)cccc1C[NH2+]Cc1cnc(N2CCOCC2)c(F)c1 ZINC000184950302 510599413 /nfs/dbraw/zinc/59/94/13/510599413.db2.gz GYUDBJIXGYSBIR-UHFFFAOYSA-N 0 0 351.809 2.706 20 10 FFCDRN CSC1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000195143951 510685749 /nfs/dbraw/zinc/68/57/49/510685749.db2.gz OBKNMTZBXHDCTN-OAHLLOKOSA-N 0 0 350.484 2.978 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)CC(=O)NCC(F)(F)F)cc2)CC1 ZINC000181993342 510696862 /nfs/dbraw/zinc/69/68/62/510696862.db2.gz OJKNNKAVEBNHPT-UHFFFAOYSA-N 0 0 371.403 2.608 20 10 FFCDRN C[C@@](O)(CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000270235521 510728315 /nfs/dbraw/zinc/72/83/15/510728315.db2.gz VWBYYUABIKAWMP-IFXJQAMLSA-N 0 0 368.424 2.924 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSC3=N[C@H](C)CS3)CC2)cc1 ZINC000270385389 510786941 /nfs/dbraw/zinc/78/69/41/510786941.db2.gz DZBPXDIAEPYTRW-CYBMUJFWSA-N 0 0 365.524 2.568 20 10 FFCDRN CC(C)c1nnc2n1CCN(Cc1ccc(N3CCOCC3)cc1)[C@H]2C ZINC000188479828 510788351 /nfs/dbraw/zinc/78/83/51/510788351.db2.gz DXQOVMSMMVNUDV-INIZCTEOSA-N 0 0 355.486 2.815 20 10 FFCDRN CCOc1cccc(C[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000191769668 510821850 /nfs/dbraw/zinc/82/18/50/510821850.db2.gz NTHTWCAMQMZEHE-QGZVFWFLSA-N 0 0 358.413 2.821 20 10 FFCDRN Cn1ccc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000263839092 510852207 /nfs/dbraw/zinc/85/22/07/510852207.db2.gz GAJNQJBXAFXIRY-UHFFFAOYSA-N 0 0 354.376 2.565 20 10 FFCDRN CCOc1cccc(CNc2cc(CS(C)(=O)=O)ccc2OC)c1O ZINC000285375097 510880831 /nfs/dbraw/zinc/88/08/31/510880831.db2.gz CLADKWJTARYPCY-UHFFFAOYSA-N 0 0 365.451 2.956 20 10 FFCDRN CCCOc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276075196 510926466 /nfs/dbraw/zinc/92/64/66/510926466.db2.gz LUDLTHIDMRDONA-CYBMUJFWSA-N 0 0 372.421 2.573 20 10 FFCDRN COc1ccc(N(C)CCc2c(C)nc3sccn3c2=O)c(OC)c1 ZINC000285511661 510937381 /nfs/dbraw/zinc/93/73/81/510937381.db2.gz FUUDWRWBQGPTOY-UHFFFAOYSA-N 0 0 359.451 2.761 20 10 FFCDRN CCN(C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1)CC(F)(F)F ZINC000276512720 510940612 /nfs/dbraw/zinc/94/06/12/510940612.db2.gz FCSDZTXXESTWID-SNVBAGLBSA-N 0 0 364.339 2.583 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)Nc3cnns3)cc2F)C[C@H](C)O1 ZINC000277160278 510955961 /nfs/dbraw/zinc/95/59/61/510955961.db2.gz XGEOEOCNNBYQPF-QWRGUYRKSA-N 0 0 365.434 2.613 20 10 FFCDRN COC[C@H](c1ccco1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277324640 510960605 /nfs/dbraw/zinc/96/06/05/510960605.db2.gz MJLAHZLYCPHQRP-CYBMUJFWSA-N 0 0 364.785 2.791 20 10 FFCDRN OCC1CCN(c2ccc(CNc3cc(N4CCCC4)ncn3)cc2)CC1 ZINC000277381356 510962356 /nfs/dbraw/zinc/96/23/56/510962356.db2.gz IIAMQCMEBLNXHC-UHFFFAOYSA-N 0 0 367.497 2.898 20 10 FFCDRN CC(C)c1nnc([C@@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)[nH]1 ZINC000270729639 510965516 /nfs/dbraw/zinc/96/55/16/510965516.db2.gz YCCRZWOVDNZRBA-CQSZACIVSA-N 0 0 354.458 2.865 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[S@@](=O)C[C@@H](C)C3)c2C)cc1 ZINC000277563137 510965820 /nfs/dbraw/zinc/96/58/20/510965820.db2.gz NJKKSHCYJOLYDV-RMKBEBRYSA-N 0 0 374.506 2.943 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1Cc2ccccc2C1 ZINC000277693644 510968975 /nfs/dbraw/zinc/96/89/75/510968975.db2.gz PUFWUYJISPAYCZ-UHFFFAOYSA-N 0 0 368.452 2.818 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C2CCN(c3cccnn3)CC2)c1[O-] ZINC000277712342 510970897 /nfs/dbraw/zinc/97/08/97/510970897.db2.gz SIJWXEQHXHZFLF-UHFFFAOYSA-N 0 0 363.805 2.502 20 10 FFCDRN C[C@@H](O)CC(C)(C)CNC(=O)NCc1cccc(Br)c1O ZINC000277752911 510972249 /nfs/dbraw/zinc/97/22/49/510972249.db2.gz NQNLRDLEHKGOCQ-SNVBAGLBSA-N 0 0 359.264 2.751 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000282429397 510974323 /nfs/dbraw/zinc/97/43/23/510974323.db2.gz HEUPTQZQDPBRKB-UHFFFAOYSA-N 0 0 353.426 2.889 20 10 FFCDRN Cc1nn(C)c(C)c1NC(=O)NCc1cccc(Br)c1O ZINC000277914043 510976296 /nfs/dbraw/zinc/97/62/96/510976296.db2.gz DMKJYGXHQVOKOX-UHFFFAOYSA-N 0 0 353.220 2.827 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nc(C3CCC3)cs2)c1 ZINC000278186616 510983244 /nfs/dbraw/zinc/98/32/44/510983244.db2.gz RGVZHTNEJQBZBY-UHFFFAOYSA-N 0 0 367.452 2.740 20 10 FFCDRN CCNC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000294223203 510995808 /nfs/dbraw/zinc/99/58/08/510995808.db2.gz LYQYGTJEDYESOQ-UHFFFAOYSA-N 0 0 366.820 2.989 20 10 FFCDRN CN(C)c1ccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)cc1 ZINC000278534956 510997699 /nfs/dbraw/zinc/99/76/99/510997699.db2.gz VWSUHFGHFQVXAR-UHFFFAOYSA-N 0 0 351.458 2.537 20 10 FFCDRN COc1ccc(NCc2ccc([N+](=O)[O-])c(OC)c2O)c(OC)c1OC ZINC000278833776 511008505 /nfs/dbraw/zinc/00/85/05/511008505.db2.gz JCEOPQOWUIZNOF-UHFFFAOYSA-N 0 0 364.354 2.947 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCCOC1CCCC1 ZINC000285870257 511014724 /nfs/dbraw/zinc/01/47/24/511014724.db2.gz KXVOGLUIRMZZFS-UHFFFAOYSA-N 0 0 362.470 2.596 20 10 FFCDRN CC[C@@H]([NH2+]Cc1ccc(OCC(N)=O)c(OC)c1)c1ccc(F)cc1[O-] ZINC000286336904 511023663 /nfs/dbraw/zinc/02/36/63/511023663.db2.gz YDMJMLWBPOFPPU-OAHLLOKOSA-N 0 0 362.401 2.645 20 10 FFCDRN Cc1noc([C@H]2CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000286780555 511032822 /nfs/dbraw/zinc/03/28/22/511032822.db2.gz YWJHVFVEYWTFDN-AHKGRUIUSA-N 0 0 368.437 2.592 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](C1CC1)C(F)(F)F ZINC000286964691 511037275 /nfs/dbraw/zinc/03/72/75/511037275.db2.gz ACNDFAWJLHBDMB-HNNXBMFYSA-N 0 0 357.376 2.663 20 10 FFCDRN COC1(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCC1 ZINC000297705315 511041509 /nfs/dbraw/zinc/04/15/09/511041509.db2.gz INRFQHVFPDSGNE-UHFFFAOYSA-N 0 0 361.486 2.624 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc2n(n1)CCCC2 ZINC000287222814 511043729 /nfs/dbraw/zinc/04/37/29/511043729.db2.gz DPVPNBJJOODHLA-UHFFFAOYSA-N 0 0 373.432 2.517 20 10 FFCDRN Cc1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)n1 ZINC000287191050 511044091 /nfs/dbraw/zinc/04/40/91/511044091.db2.gz KZIKRETYVVHEOF-UHFFFAOYSA-N 0 0 359.857 2.739 20 10 FFCDRN Cc1noc([C@@H]2CCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000287555227 511053142 /nfs/dbraw/zinc/05/31/42/511053142.db2.gz VWBIMHVYZVOUQR-KRWDZBQOSA-N 0 0 353.426 2.801 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1[nH]cnc1C ZINC000279388337 511065496 /nfs/dbraw/zinc/06/54/96/511065496.db2.gz INNSSQRGXWHGLJ-UHFFFAOYSA-N 0 0 352.232 2.777 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@H](NC(N)=O)C(C)(C)C)cc2)CC1 ZINC000282664338 511065900 /nfs/dbraw/zinc/06/59/00/511065900.db2.gz MEIKACVSWVYLHO-KRWDZBQOSA-N 0 0 360.502 2.622 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCCCOC(C)C ZINC000288222854 511067601 /nfs/dbraw/zinc/06/76/01/511067601.db2.gz RAUWVHAJTSLLGK-UHFFFAOYSA-N 0 0 364.486 2.842 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCCN(C(N)=O)C2)cc1 ZINC000288212200 511068188 /nfs/dbraw/zinc/06/81/88/511068188.db2.gz OUIYMSFDLHCSSP-MRXNPFEDSA-N 0 0 354.454 2.615 20 10 FFCDRN CCC[C@@H](CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)OC ZINC000297804297 511073822 /nfs/dbraw/zinc/07/38/22/511073822.db2.gz YIRFXIDVELZMOF-DLBZAZTESA-N 0 0 350.459 2.898 20 10 FFCDRN CNC(=O)CC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000332264396 511080328 /nfs/dbraw/zinc/08/03/28/511080328.db2.gz FCGKSZSTTWTQOW-UHFFFAOYSA-N 0 0 356.470 2.544 20 10 FFCDRN COc1ccc(N2CCN(Cc3cnc([C@@H](C)O)s3)CC2)cc1F ZINC000289231306 511095688 /nfs/dbraw/zinc/09/56/88/511095688.db2.gz KEIZHYPBFUHVNV-GFCCVEGCSA-N 0 0 351.447 2.666 20 10 FFCDRN COC(=O)Cc1occc1C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000289566771 511105168 /nfs/dbraw/zinc/10/51/68/511105168.db2.gz VJFDSEHQLGGMRM-UHFFFAOYSA-N 0 0 356.422 2.866 20 10 FFCDRN CCOc1ccc(NCc2cccc(F)c2O)cc1S(=O)(=O)N(C)C ZINC000289670189 511109079 /nfs/dbraw/zinc/10/90/79/511109079.db2.gz ZAHJBZYSHUCLFR-UHFFFAOYSA-N 0 0 368.430 2.792 20 10 FFCDRN [O-]c1c(F)cccc1C[N@H+](CCCN1CCOCC1)Cc1ccncc1 ZINC000289738702 511112522 /nfs/dbraw/zinc/11/25/22/511112522.db2.gz IIIGNTPMFQDXIR-UHFFFAOYSA-N 0 0 359.445 2.651 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1C(F)(F)F)[C@@H]1CCS(=O)(=O)C1 ZINC000279534498 511118270 /nfs/dbraw/zinc/11/82/70/511118270.db2.gz CGHMXAADMRLRLJ-CQSZACIVSA-N 0 0 364.433 2.780 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)Cc1ccccc1S(N)(=O)=O ZINC000289926487 511120659 /nfs/dbraw/zinc/12/06/59/511120659.db2.gz OZWPQGRXQDKSCO-UHFFFAOYSA-N 0 0 373.522 2.956 20 10 FFCDRN CCOc1cccc(CNc2ccc(C3CC(=O)NC(=O)C3)cc2)c1O ZINC000294686156 511143357 /nfs/dbraw/zinc/14/33/57/511143357.db2.gz BNWAUYQLTVKQHA-UHFFFAOYSA-N 0 0 354.406 2.923 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2n[nH]c(=S)n2c1 ZINC000282893065 511151453 /nfs/dbraw/zinc/15/14/53/511151453.db2.gz CEZPMYSNOXSKAH-UHFFFAOYSA-N 0 0 355.467 2.746 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(CN2CCCC2)on1 ZINC000290941920 511154183 /nfs/dbraw/zinc/15/41/83/511154183.db2.gz KVDXORBDLFDUOV-UHFFFAOYSA-N 0 0 356.470 2.999 20 10 FFCDRN Cc1cccc(NC[C@@H]2CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000364985105 511191782 /nfs/dbraw/zinc/19/17/82/511191782.db2.gz IMRNFFXIMDAADS-DZZUKKPASA-N 0 0 353.422 2.918 20 10 FFCDRN COc1cc([C@H](C)NC(=O)c2c(F)ccc(O)c2O)cc(OC)c1OC ZINC000294876210 511206297 /nfs/dbraw/zinc/20/62/97/511206297.db2.gz PPPQBFNHRFQLMB-VIFPVBQESA-N 0 0 365.357 2.754 20 10 FFCDRN COc1ccc(O)c(C[N@@H+]2C[C@H](c3cnn(C)c3)C3(C2)CCOCC3)c1 ZINC000294960422 511235828 /nfs/dbraw/zinc/23/58/28/511235828.db2.gz IGOKLGGJDKPBGL-GOSISDBHSA-N 0 0 357.454 2.531 20 10 FFCDRN CC(C)Oc1cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)ncn1 ZINC000298372296 511262286 /nfs/dbraw/zinc/26/22/86/511262286.db2.gz USFDWJDFAHYCSQ-UHFFFAOYSA-N 0 0 360.433 2.976 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)cs3)cc2)CC1 ZINC000295160976 511303800 /nfs/dbraw/zinc/30/38/00/511303800.db2.gz DMCNCSMSVDQYLH-UHFFFAOYSA-N 0 0 357.479 2.655 20 10 FFCDRN COc1cc(N2CCN(Cc3ccnn3C(C)C)CC2)cc(OC)c1OC ZINC000280015370 511305386 /nfs/dbraw/zinc/30/53/86/511305386.db2.gz UWJSYXFSLBQYCA-UHFFFAOYSA-N 0 0 374.485 2.812 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NCC1CC(F)(F)C1 ZINC000291765753 511329121 /nfs/dbraw/zinc/32/91/21/511329121.db2.gz BKKLLYJVZQMYMX-UHFFFAOYSA-N 0 0 367.440 2.740 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(N(C)C)c1 ZINC000283407681 511355466 /nfs/dbraw/zinc/35/54/66/511355466.db2.gz AJUXVQRDJIQHES-UHFFFAOYSA-N 0 0 369.465 2.513 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCc1cccs1 ZINC000298648147 511360543 /nfs/dbraw/zinc/36/05/43/511360543.db2.gz LEYRADGQJIPRTG-UHFFFAOYSA-N 0 0 360.479 2.893 20 10 FFCDRN C[C@@H](Nc1cccc(OCC(N)=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271911838 511368589 /nfs/dbraw/zinc/36/85/89/511368589.db2.gz AVGWNPKBMPADAP-CQSZACIVSA-N 0 0 373.428 2.700 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(NC(=O)C(C)(C)C)nc2)c1O ZINC000295405255 511393861 /nfs/dbraw/zinc/39/38/61/511393861.db2.gz ZXABOAFQKUTXAB-UHFFFAOYSA-N 0 0 357.410 2.710 20 10 FFCDRN Cc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1N1C(=O)CNC1=O ZINC000280272330 511401868 /nfs/dbraw/zinc/40/18/68/511401868.db2.gz MSWDVWZMTNYDDO-UHFFFAOYSA-N 0 0 356.401 2.868 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1ccc(OC)cc1 ZINC000298829877 511424367 /nfs/dbraw/zinc/42/43/67/511424367.db2.gz VMAXPSHNEXTZBR-UHFFFAOYSA-N 0 0 370.449 2.798 20 10 FFCDRN CNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000280449610 511470029 /nfs/dbraw/zinc/47/00/29/511470029.db2.gz DPUXCIFCAPZIAA-GFCCVEGCSA-N 0 0 357.410 2.519 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000280465237 511475687 /nfs/dbraw/zinc/47/56/87/511475687.db2.gz FZWGPRIJLCIXBK-LLVKDONJSA-N 0 0 355.394 2.735 20 10 FFCDRN CC(C)[C@H]1NC(=O)N(Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1=O ZINC000272255393 511481576 /nfs/dbraw/zinc/48/15/76/511481576.db2.gz LQMCVSNCNYJZNW-PBFPGSCMSA-N 0 0 363.433 2.516 20 10 FFCDRN COCCN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272497269 511496551 /nfs/dbraw/zinc/49/65/51/511496551.db2.gz SINSJOFMNTWQSH-QPJJXVBHSA-N 0 0 371.389 2.515 20 10 FFCDRN CC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nnc2n1CCCCC2 ZINC000272522817 511497627 /nfs/dbraw/zinc/49/76/27/511497627.db2.gz VXMQGQPDVRXDOG-PLWJUESGSA-N 0 0 356.426 2.696 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(CCc2cccs2)CC1 ZINC000272539908 511498122 /nfs/dbraw/zinc/49/81/22/511498122.db2.gz XTWBOXRPDOVQSW-GQCTYLIASA-N 0 0 358.463 2.559 20 10 FFCDRN O=C(Nc1ccncc1[N+](=O)[O-])N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000272656298 511502654 /nfs/dbraw/zinc/50/26/54/511502654.db2.gz GLNMZEGYNYAPAC-CQSZACIVSA-N 0 0 372.381 2.909 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc([S@](C)=O)c1 ZINC000272860094 511509105 /nfs/dbraw/zinc/50/91/05/511509105.db2.gz RVLAJNQFNWGQRL-VWLOTQADSA-N 0 0 359.451 2.921 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccco2)cc1 ZINC000283838638 511517250 /nfs/dbraw/zinc/51/72/50/511517250.db2.gz CWFGZHPJTDVNQP-OAHLLOKOSA-N 0 0 357.454 2.962 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000273382845 511523043 /nfs/dbraw/zinc/52/30/43/511523043.db2.gz ISFIRIVWYWTKPO-CQSZACIVSA-N 0 0 366.421 2.669 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273343576 511523488 /nfs/dbraw/zinc/52/34/88/511523488.db2.gz AAFKFIJTKSPWNL-ZBFHGGJFSA-N 0 0 369.421 3.000 20 10 FFCDRN CCNC(=O)c1ccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000273386024 511524837 /nfs/dbraw/zinc/52/48/37/511524837.db2.gz JMVUEMCWUKDSLY-ZDUSSCGKSA-N 0 0 356.422 2.779 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(Cc3ccncc3)CC2)c1 ZINC000273432627 511526424 /nfs/dbraw/zinc/52/64/24/511526424.db2.gz WDSNDTJSBHOUGW-HNNXBMFYSA-N 0 0 369.465 2.889 20 10 FFCDRN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)c(O)c1C ZINC000273446617 511526441 /nfs/dbraw/zinc/52/64/41/511526441.db2.gz FELBADIINIAQTB-ZIAGYGMSSA-N 0 0 369.508 2.556 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)o1 ZINC000299140213 511529859 /nfs/dbraw/zinc/52/98/59/511529859.db2.gz HHZMTCJSDJHMIA-UHFFFAOYSA-N 0 0 352.793 2.963 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)NCc2ncc(C(F)(F)F)cn2)c1 ZINC000295833300 511529868 /nfs/dbraw/zinc/52/98/68/511529868.db2.gz ABLIEYRYYFDPOU-VIFPVBQESA-N 0 0 355.316 2.838 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000273594207 511545588 /nfs/dbraw/zinc/54/55/88/511545588.db2.gz QCHBVSWRZVUFQU-NSHDSACASA-N 0 0 360.366 2.946 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000280657806 511553136 /nfs/dbraw/zinc/55/31/36/511553136.db2.gz OIDXNBLRFLQRJS-UHFFFAOYSA-N 0 0 364.405 2.903 20 10 FFCDRN Cc1nc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)oc1C ZINC000299260712 511569994 /nfs/dbraw/zinc/56/99/94/511569994.db2.gz GBOUQNIEELFEMO-UHFFFAOYSA-N 0 0 362.405 2.713 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccc(F)c1 ZINC000284002635 511571936 /nfs/dbraw/zinc/57/19/36/511571936.db2.gz NBHQVOGAWQTFFL-UHFFFAOYSA-N 0 0 357.429 2.557 20 10 FFCDRN CCn1nc(C)c(CC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1C ZINC000292382125 511576030 /nfs/dbraw/zinc/57/60/30/511576030.db2.gz HPUPDSVMCBOWCO-UHFFFAOYSA-N 0 0 374.460 2.559 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@]12CCCO2 ZINC000273705864 511581116 /nfs/dbraw/zinc/58/11/16/511581116.db2.gz PHPUKRVMQYNQNZ-GGPKGHCWSA-N 0 0 361.486 2.621 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)C(=O)NCc2ccco2)c(C)n1-c1ccccn1 ZINC000299305677 511585525 /nfs/dbraw/zinc/58/55/25/511585525.db2.gz BIMFLBZDGBRORR-CQSZACIVSA-N 0 0 366.421 2.517 20 10 FFCDRN Cc1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000284073318 511596259 /nfs/dbraw/zinc/59/62/59/511596259.db2.gz QJDKBESYKNZFPD-INIZCTEOSA-N 0 0 353.466 2.897 20 10 FFCDRN COC(=O)COc1c(C)cc(/C=C2/SC(=S)N(C)C2=O)cc1C ZINC000299359126 511607164 /nfs/dbraw/zinc/60/71/64/511607164.db2.gz MIYVKIXMOHLJSZ-KPKJPENVSA-N 0 0 351.449 2.686 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@H]3CN(C)C(=O)c4ccccc43)ccc21 ZINC000365829388 511672654 /nfs/dbraw/zinc/67/26/54/511672654.db2.gz IGSRZPIVJNYIOT-IBGZPJMESA-N 0 0 363.461 2.555 20 10 FFCDRN COc1ccccc1[C@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301692916 511699808 /nfs/dbraw/zinc/69/98/08/511699808.db2.gz OLOOZZNYUBDWAK-LBPRGKRZSA-N 0 0 369.377 2.928 20 10 FFCDRN C[C@H]1C[C@@H](c2cccnc2)N(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000302158170 511706917 /nfs/dbraw/zinc/70/69/17/511706917.db2.gz XBMJRUWEUOEUOM-FZMZJTMJSA-N 0 0 354.366 2.908 20 10 FFCDRN CN(Cc1ccccc1O)c1ncc(C(=O)N2CCOCC2)cc1Cl ZINC000302599564 511709775 /nfs/dbraw/zinc/70/97/75/511709775.db2.gz BWQSUCOONHOJBR-UHFFFAOYSA-N 0 0 361.829 2.549 20 10 FFCDRN O=C1NC[C@H](CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)O1 ZINC000296353477 511711460 /nfs/dbraw/zinc/71/14/60/511711460.db2.gz RGZWEFSVOKKJQH-HUUCEWRRSA-N 0 0 359.451 2.930 20 10 FFCDRN OC1CCN(c2ccc(CNCc3cc(F)ncc3F)cc2F)CC1 ZINC000296431792 511741035 /nfs/dbraw/zinc/74/10/35/511741035.db2.gz NFOIMCIDQVXKFD-UHFFFAOYSA-N 0 0 351.372 2.750 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000296567314 511800055 /nfs/dbraw/zinc/80/00/55/511800055.db2.gz OIBCRIRVWWNQOD-UHFFFAOYSA-N 0 0 366.465 2.624 20 10 FFCDRN COc1cc2c(cc1NC(=O)NCc1ccc(N(C)C)cc1)NC(=O)CC2 ZINC000274469876 511846107 /nfs/dbraw/zinc/84/61/07/511846107.db2.gz NSRXUTMGLBRQRM-UHFFFAOYSA-N 0 0 368.437 2.968 20 10 FFCDRN Cc1noc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000296804709 511904628 /nfs/dbraw/zinc/90/46/28/511904628.db2.gz LOXPOYXQZHHGPY-NSHDSACASA-N 0 0 367.356 2.770 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(OC)n(C)n1 ZINC000274732577 511923959 /nfs/dbraw/zinc/92/39/59/511923959.db2.gz FAMCSMBESABDIT-UHFFFAOYSA-N 0 0 368.231 2.559 20 10 FFCDRN O=C(NCCc1ccc(OCC(F)(F)F)nc1)NCc1ccccc1O ZINC000274740725 511926792 /nfs/dbraw/zinc/92/67/92/511926792.db2.gz CTRFOLICTRPXLM-UHFFFAOYSA-N 0 0 369.343 2.770 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnc2cnccc2c1 ZINC000281823437 511978758 /nfs/dbraw/zinc/97/87/58/511978758.db2.gz KJVUWLPMMXKCOO-UHFFFAOYSA-N 0 0 366.396 2.536 20 10 FFCDRN COCCN1C(=O)CCc2cc(NCc3cccc(OC)c3O)ccc21 ZINC000275073877 512033861 /nfs/dbraw/zinc/03/38/61/512033861.db2.gz XYYNMPKCTIDHFG-UHFFFAOYSA-N 0 0 356.422 2.939 20 10 FFCDRN c1csc([C@@H](NCc2ccc(N3CCOCC3)cc2)c2nc[nH]n2)c1 ZINC000293641663 512036464 /nfs/dbraw/zinc/03/64/64/512036464.db2.gz IBRLCZKXHGRLCB-QGZVFWFLSA-N 0 0 355.467 2.582 20 10 FFCDRN CN1C(=O)C[C@H](C(=O)NCc2ccc(N)cc2)[C@H]1c1cccc(Cl)c1 ZINC000297145989 512036541 /nfs/dbraw/zinc/03/65/41/512036541.db2.gz IMIGEIYFCCSLTF-FUHWJXTLSA-N 0 0 357.841 2.758 20 10 FFCDRN CNC(=O)CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000282064856 512063221 /nfs/dbraw/zinc/06/32/21/512063221.db2.gz AXUVMBDLQICLFO-CYBMUJFWSA-N 0 0 366.893 2.512 20 10 FFCDRN CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000360023053 512064570 /nfs/dbraw/zinc/06/45/70/512064570.db2.gz QVVVKTUVNSFZNF-HWPZZCPQSA-N 0 0 372.252 2.509 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000293763011 512077672 /nfs/dbraw/zinc/07/76/72/512077672.db2.gz RMDYEHDVKDZVOV-HNNXBMFYSA-N 0 0 370.449 2.866 20 10 FFCDRN CCOc1cc2c(cc1NC(=O)NCCc1ccc(O)c(O)c1)OCCO2 ZINC000275225906 512080774 /nfs/dbraw/zinc/08/07/74/512080774.db2.gz KOHZRKISNOEIQA-UHFFFAOYSA-N 0 0 374.393 2.632 20 10 FFCDRN COCCNC(=O)c1ccc(N2CC=C(c3ccc(Cl)nc3)CC2)nc1 ZINC000367359205 512462175 /nfs/dbraw/zinc/46/21/75/512462175.db2.gz UNLUAOSZVYBIJD-UHFFFAOYSA-N 0 0 372.856 2.800 20 10 FFCDRN Cc1nc([C@@H]2CCCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000375760024 512490531 /nfs/dbraw/zinc/49/05/31/512490531.db2.gz CYVORHRXCPHDQM-SFHVURJKSA-N 0 0 371.485 2.630 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cc1 ZINC000373923045 512572683 /nfs/dbraw/zinc/57/26/83/512572683.db2.gz ZCYNYKVGUZRNDW-UHFFFAOYSA-N 0 0 370.409 2.538 20 10 FFCDRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N(C)Cc2ccccc2O)cc1 ZINC000374225142 512714767 /nfs/dbraw/zinc/71/47/67/512714767.db2.gz MRGQZGOWHADHCW-SFHVURJKSA-N 0 0 368.433 2.664 20 10 FFCDRN COc1ccccc1[C@H](NC(=O)c1ccc(C)c(O)c1O)c1noc(C)n1 ZINC000367961348 512742284 /nfs/dbraw/zinc/74/22/84/512742284.db2.gz DFPBLJMNKLZDHC-HNNXBMFYSA-N 0 0 369.377 2.626 20 10 FFCDRN O=C(NC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1)C1CCOCC1 ZINC000378439296 512759958 /nfs/dbraw/zinc/75/99/58/512759958.db2.gz ODUGKBIGRXIZLQ-UHFFFAOYSA-N 0 0 352.862 2.553 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)[C@H]3C[C@@H](OC)CCN3C2=O)cc1F ZINC000370105973 512769573 /nfs/dbraw/zinc/76/95/73/512769573.db2.gz SSZXLGFNTZMDOJ-WMLDXEAASA-N 0 0 363.433 2.614 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000368468695 512962427 /nfs/dbraw/zinc/96/24/27/512962427.db2.gz GCDHPSPOFMEXMK-OAHLLOKOSA-N 0 0 371.393 2.897 20 10 FFCDRN COc1ccc(CNC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c(O)c1 ZINC000370623223 513019435 /nfs/dbraw/zinc/01/94/35/513019435.db2.gz WNKOSQJNHMKYCV-VIFPVBQESA-N 0 0 369.343 2.564 20 10 FFCDRN CC[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc(Cl)c1[O-] ZINC000376902504 513040225 /nfs/dbraw/zinc/04/02/25/513040225.db2.gz JBKBYQVWPKVLTD-KQYVJACZSA-N 0 0 365.861 2.807 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000376967689 513070842 /nfs/dbraw/zinc/07/08/42/513070842.db2.gz MVUXKRFHLPVHFV-FOIQADDNSA-N 0 0 360.454 2.998 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H](C1CC1)C1CCC1 ZINC000422389837 513744545 /nfs/dbraw/zinc/74/45/45/513744545.db2.gz ZLQWTTQNKDBADQ-IBGZPJMESA-N 0 0 353.466 2.798 20 10 FFCDRN CN(C)c1ncc(/C=C2/CCn3c2nc2cc(Cl)ccc2c3=O)n1C ZINC000414071488 513964280 /nfs/dbraw/zinc/96/42/80/513964280.db2.gz LVYKZJSTFNYPTI-FLIBITNWSA-N 0 0 355.829 2.794 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccc(S(C)(=O)=O)c1 ZINC000471229551 514806789 /nfs/dbraw/zinc/80/67/89/514806789.db2.gz YSSDRMNJVJUEFQ-UHFFFAOYSA-N 0 0 356.447 2.820 20 10 FFCDRN CCCC(=O)N1CSC[C@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471236364 514808470 /nfs/dbraw/zinc/80/84/70/514808470.db2.gz QWXVRKFYMXLNGV-KRWDZBQOSA-N 0 0 359.495 2.805 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1c(C)nc(C)[nH]c1=O ZINC000471235157 514809473 /nfs/dbraw/zinc/80/94/73/514809473.db2.gz QZXDENIEBBKHHG-UHFFFAOYSA-N 0 0 352.438 2.848 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](C(C)C)N1CCOCC1 ZINC000471608175 514954116 /nfs/dbraw/zinc/95/41/16/514954116.db2.gz BPBBTYBTGVGABU-IBGZPJMESA-N 0 0 372.513 2.643 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCc1cccc(C(N)=O)c1 ZINC000471809559 515018294 /nfs/dbraw/zinc/01/82/94/515018294.db2.gz IHWVEIWWXCQOIK-UHFFFAOYSA-N 0 0 364.449 2.628 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC000509409705 515164295 /nfs/dbraw/zinc/16/42/95/515164295.db2.gz CVFZWFYGASTYOA-FQEVSTJZSA-N 0 0 355.482 2.746 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(O)(C(F)F)CC1 ZINC000472221535 515174927 /nfs/dbraw/zinc/17/49/27/515174927.db2.gz LGSISQQPAPYRHH-UHFFFAOYSA-N 0 0 351.397 2.788 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(CCOC(C)C)CC1 ZINC000472220635 515175325 /nfs/dbraw/zinc/17/53/25/515175325.db2.gz HLGRUWGHLUQIAM-UHFFFAOYSA-N 0 0 372.513 2.739 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC2(CCN(C)C2=O)CC1 ZINC000472224211 515175821 /nfs/dbraw/zinc/17/58/21/515175821.db2.gz SXIPWTQUSKZZKV-UHFFFAOYSA-N 0 0 368.481 2.641 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnn(-c2ccccn2)c1N ZINC000509752754 515311353 /nfs/dbraw/zinc/31/13/53/515311353.db2.gz USFIUFVLNBBAQF-UHFFFAOYSA-N 0 0 360.421 2.580 20 10 FFCDRN CCc1cnc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)s1 ZINC000472803981 515404542 /nfs/dbraw/zinc/40/45/42/515404542.db2.gz CSSJEVGHXBBOAB-UHFFFAOYSA-N 0 0 356.451 2.761 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc2nccnc2c1 ZINC000472802711 515404554 /nfs/dbraw/zinc/40/45/54/515404554.db2.gz IELGSNHWZVMAMY-UHFFFAOYSA-N 0 0 373.416 2.685 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000473263747 515556924 /nfs/dbraw/zinc/55/69/24/515556924.db2.gz MDPXEKVLEOSJAV-CQSZACIVSA-N 0 0 370.478 2.964 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCCn3cccn3)ccc21 ZINC000482552973 515719696 /nfs/dbraw/zinc/71/96/96/515719696.db2.gz QNUSVQLFWGARSO-UHFFFAOYSA-N 0 0 354.454 2.921 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000525935212 517244840 /nfs/dbraw/zinc/24/48/40/517244840.db2.gz PQFRGEDUMGBUDL-FOIQADDNSA-N 0 0 357.454 2.576 20 10 FFCDRN Cc1occc1CN(C)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000515245243 517271943 /nfs/dbraw/zinc/27/19/43/517271943.db2.gz JXLSFBKOIMMTLN-UHFFFAOYSA-N 0 0 353.422 2.663 20 10 FFCDRN Cc1cncnc1-c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000545722886 517344484 /nfs/dbraw/zinc/34/44/84/517344484.db2.gz AXGSEURNJUJQHF-UHFFFAOYSA-N 0 0 363.402 2.718 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000527124778 517515767 /nfs/dbraw/zinc/51/57/67/517515767.db2.gz HSBQZWCCCLBKDG-UHFFFAOYSA-N 0 0 365.433 2.684 20 10 FFCDRN Cc1ccc2ncc(C(=O)N3CCOc4cc(N(C)C)ccc43)c(O)c2c1 ZINC000543433637 518086493 /nfs/dbraw/zinc/08/64/93/518086493.db2.gz ICEMZYJYNXGAJR-UHFFFAOYSA-N 0 0 363.417 2.942 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000567596412 518607098 /nfs/dbraw/zinc/60/70/98/518607098.db2.gz YDAHFJWFGDUTHO-HXUWFJFHSA-N 0 0 363.465 2.738 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCNC[C@@](C)(F)C3)ccc21 ZINC000580340827 519126828 /nfs/dbraw/zinc/12/68/28/519126828.db2.gz ZMDZVPCZKWBSGS-HXUWFJFHSA-N 0 0 361.461 2.678 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H](n2ccnn2)C1 ZINC000566139102 519327420 /nfs/dbraw/zinc/32/74/20/519327420.db2.gz YSPJHSHWXRJMQN-HNNXBMFYSA-N 0 0 352.442 2.625 20 10 FFCDRN CCO[C@@H](CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C)C(C)C ZINC000572033782 519410119 /nfs/dbraw/zinc/41/01/19/519410119.db2.gz GTMXXKUUOQKJLL-IBGZPJMESA-N 0 0 373.497 2.670 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](OC)[C@H]3CCOC3)ccc21 ZINC000617143575 520350783 /nfs/dbraw/zinc/35/07/83/520350783.db2.gz QZKHFEINKNMZND-FXAWDEMLSA-N 0 0 374.481 2.686 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(N2CCCCC2)ncn1 ZINC000631563683 523693400 /nfs/dbraw/zinc/69/34/00/523693400.db2.gz VUAZMNGUOZOPPP-UHFFFAOYSA-N 0 0 367.453 2.572 20 10 FFCDRN CCOCn1nc(C)c(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000631563002 523694547 /nfs/dbraw/zinc/69/45/47/523694547.db2.gz QATAMNNTKDNFSZ-UHFFFAOYSA-N 0 0 372.469 2.528 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)c1O ZINC000737130972 598264240 /nfs/dbraw/zinc/26/42/40/598264240.db2.gz KHFVDQBYNYJARN-UHFFFAOYSA-N 0 0 374.788 2.556 20 10 FFCDRN CN(CCCNC(=S)Nc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000736799302 598317162 /nfs/dbraw/zinc/31/71/62/598317162.db2.gz BKFHWMGQHYMOIK-UHFFFAOYSA-N 0 0 367.482 2.680 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000736532449 598607277 /nfs/dbraw/zinc/60/72/77/598607277.db2.gz SBUICVIZSSXABA-UHFFFAOYSA-N 0 0 364.453 2.985 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)c1O ZINC000833306822 601632409 /nfs/dbraw/zinc/63/24/09/601632409.db2.gz AEKWBLSGYXDSQK-QZTJIDSGSA-N 0 0 357.406 2.623 20 10 FFCDRN C[NH+](C)CC(C)(C)CN1C(=O)/C(=C\c2c[nH]c(C(=O)[O-])c2)SC1=S ZINC000830596354 601789315 /nfs/dbraw/zinc/78/93/15/601789315.db2.gz IXJYAKVFDQUILI-WUXMJOGZSA-N 0 0 367.496 2.502 20 10 FFCDRN C[C@@H]([NH2+][C@@H](CNC(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000825471937 604359350 /nfs/dbraw/zinc/35/93/50/604359350.db2.gz DLFLMMFKOKNHFO-PXAZEXFGSA-N 0 0 367.877 2.873 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000825464054 604932840 /nfs/dbraw/zinc/93/28/40/604932840.db2.gz BQNLNNADPRBMKK-LZLYRXPVSA-N 0 0 361.486 2.952 20 10 FFCDRN C[C@@H]([NH2+]CC(C)(C)NC(=O)[O-])c1ccc(N2CCOCC2)cc1Cl ZINC000825486319 605105666 /nfs/dbraw/zinc/10/56/66/605105666.db2.gz WOZMBGMDUBDMFH-GFCCVEGCSA-N 0 0 355.866 2.873 20 10 FFCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000822210510 606713086 /nfs/dbraw/zinc/71/30/86/606713086.db2.gz FOSLSZVQDSTEEX-UHFFFAOYSA-N 0 0 373.438 2.805 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)c1 ZINC000821837282 607194906 /nfs/dbraw/zinc/19/49/06/607194906.db2.gz CEERAAATSXNNES-UHFFFAOYSA-N 0 0 374.788 2.556 20 10 FFCDRN O=[N+]([O-])c1ccc2nc(NCc3ccccc3O)cc(-c3nn[nH]n3)c2c1 ZINC000826499607 608376490 /nfs/dbraw/zinc/37/64/90/608376490.db2.gz PGBMUCGUPGPICX-UHFFFAOYSA-N 0 0 363.337 2.641 20 10 FFCDRN C[C@H](c1ccc(-c2nn[nH]n2)cc1)N1CCOc2cc(N(C)C)ccc21 ZINC000824761926 608417766 /nfs/dbraw/zinc/41/77/66/608417766.db2.gz DBAPKQRZPUQTRY-CYBMUJFWSA-N 0 0 350.426 2.893 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 ZINC000153926154 728791786 /nfs/dbraw/zinc/79/17/86/728791786.db2.gz TYHOIGOCYNIXNL-UHFFFAOYSA-N 0 0 363.439 2.589 20 10 FFCDRN CN(Cc1cccn1C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000156307710 728847643 /nfs/dbraw/zinc/84/76/43/728847643.db2.gz KURCNNBCNMGBCF-UHFFFAOYSA-N 0 0 358.511 2.920 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NOCCC(F)(F)F)CC2)cc1 ZINC000158525406 728890091 /nfs/dbraw/zinc/89/00/91/728890091.db2.gz XDEAYZQFRATBGB-UHFFFAOYSA-N 0 0 361.364 2.801 20 10 FFCDRN CSCc1nc2ccccc2n1CC(=O)NCc1ccc(O)c(O)c1 ZINC000158878345 728895635 /nfs/dbraw/zinc/89/56/35/728895635.db2.gz NWJPTRSTNVMKNN-UHFFFAOYSA-N 0 0 357.435 2.627 20 10 FFCDRN CCC[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000160400267 728921414 /nfs/dbraw/zinc/92/14/14/728921414.db2.gz MJTJHQVZRHRYIU-GOSISDBHSA-N 0 0 363.527 2.950 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCS[C@@H]2COCC[C@H]21 ZINC000897054621 735193155 /nfs/dbraw/zinc/19/31/55/735193155.db2.gz JAMFHLDUUXOODW-MEBBXXQBSA-N 0 0 351.449 2.659 20 10 FFCDRN CC1(C)CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC[S@]1=O ZINC000897914307 735293141 /nfs/dbraw/zinc/29/31/41/735293141.db2.gz JLSZLSCNXKEFEO-HSZRJFAPSA-N 0 0 353.465 2.686 20 10 FFCDRN COc1nn(C)cc1C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000898022779 735304264 /nfs/dbraw/zinc/30/42/64/735304264.db2.gz KTMJVWPFLCTGOC-UHFFFAOYSA-N 0 0 360.639 2.840 20 10 FFCDRN O=C(NCCC(F)(F)F)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000743701362 735316454 /nfs/dbraw/zinc/31/64/54/735316454.db2.gz SMSZIFZMPKRJIY-UHFFFAOYSA-N 0 0 363.355 2.538 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2nnn(C3CC3)c2C(F)(F)F)cc1 ZINC000744457941 735357195 /nfs/dbraw/zinc/35/71/95/735357195.db2.gz FFWHVIZRFMOBMG-UHFFFAOYSA-N 0 0 353.348 2.628 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCOC2CCSCC2)c1 ZINC000899070801 735442778 /nfs/dbraw/zinc/44/27/78/735442778.db2.gz HFBAXNNNWNPSNR-LBPRGKRZSA-N 0 0 354.472 2.673 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCC(=O)OC(C)(C)C)c1 ZINC000745931071 735451960 /nfs/dbraw/zinc/45/19/60/735451960.db2.gz KFINBFXFOPXTKI-GFCCVEGCSA-N 0 0 352.431 2.883 20 10 FFCDRN Cc1ccc(-n2nnnc2SCC(=O)c2ccc(O)c(O)c2)c(C)c1 ZINC000004768163 727778924 /nfs/dbraw/zinc/77/89/24/727778924.db2.gz IYLKMECBFRNKRR-UHFFFAOYSA-N 0 0 356.407 2.665 20 10 FFCDRN CCOc1ccc(N(CC)CC(=O)NC(=O)NCc2cccs2)cc1 ZINC000746159482 735466616 /nfs/dbraw/zinc/46/66/16/735466616.db2.gz SSVPMUGQEKCYFF-UHFFFAOYSA-N 0 0 361.467 2.999 20 10 FFCDRN Cc1cc(C(=O)O[C@H](C)C(N)=O)c(C)n1-c1ccc(Br)cc1 ZINC000014365259 727817850 /nfs/dbraw/zinc/81/78/50/727817850.db2.gz KOLLRNWECUDMGW-LLVKDONJSA-N 0 0 365.227 2.887 20 10 FFCDRN O=C(CCNC(=O)c1ccsc1)NCc1c(O)ccc2c1CCCC2 ZINC000075159933 728244210 /nfs/dbraw/zinc/24/42/10/728244210.db2.gz UDSXWKWWGUARHW-UHFFFAOYSA-N 0 0 358.463 2.769 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc([S@@](C)=O)cc2)c1 ZINC000080196243 728323572 /nfs/dbraw/zinc/32/35/72/728323572.db2.gz ZJYAONYWYIVVLD-YDBLSZJJSA-N 0 0 362.451 2.699 20 10 FFCDRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000746892193 735517600 /nfs/dbraw/zinc/51/76/00/735517600.db2.gz PPLQNHABMZTONR-CMPLNLGQSA-N 0 0 370.471 2.944 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](C)OCCC(C)C)CC2)cc1F ZINC000084814468 728426001 /nfs/dbraw/zinc/42/60/01/728426001.db2.gz VOZYWXXSMBDBDT-HNNXBMFYSA-N 0 0 352.450 2.934 20 10 FFCDRN CCC(C)(C)NC(=O)[C@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866815 728426508 /nfs/dbraw/zinc/42/65/08/728426508.db2.gz PQGFLQBNBVMUDS-AWEZNQCLSA-N 0 0 351.466 2.650 20 10 FFCDRN CCCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092733961 728470445 /nfs/dbraw/zinc/47/04/45/728470445.db2.gz IJHOAAIDPQSQHT-LLVKDONJSA-N 0 0 355.822 2.692 20 10 FFCDRN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)cc1 ZINC000093920322 728478647 /nfs/dbraw/zinc/47/86/47/728478647.db2.gz OYEKXWWOXVCRFH-UHFFFAOYSA-N 0 0 352.387 2.570 20 10 FFCDRN COCCN(CC(F)F)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000103512995 728497734 /nfs/dbraw/zinc/49/77/34/728497734.db2.gz FQXVOEVQPGMQDS-UHFFFAOYSA-N 0 0 373.469 2.663 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CNC(=O)c1c(F)cccc1Cl ZINC000107346663 728515629 /nfs/dbraw/zinc/51/56/29/728515629.db2.gz XAFJEWIQPATAKY-UHFFFAOYSA-N 0 0 350.777 2.573 20 10 FFCDRN O=C(NCCCSc1nccs1)c1csc(-c2ncccn2)n1 ZINC000114374346 728559948 /nfs/dbraw/zinc/55/99/48/728559948.db2.gz HBKFWOUJBSTRCV-UHFFFAOYSA-N 0 0 363.493 2.969 20 10 FFCDRN C[C@H](NC(=O)C1CCCCC1)C(=O)NCCCSc1nccs1 ZINC000114375785 728559982 /nfs/dbraw/zinc/55/99/82/728559982.db2.gz NHPXNIWVSNFCFH-LBPRGKRZSA-N 0 0 355.529 2.827 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1nc(-c2ccccc2)ns1 ZINC000115633652 728566706 /nfs/dbraw/zinc/56/67/06/728566706.db2.gz FVGXJNCQSOYPPZ-UHFFFAOYSA-N 0 0 356.407 2.981 20 10 FFCDRN COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc(Cl)c1OC ZINC000747148254 735538683 /nfs/dbraw/zinc/53/86/83/735538683.db2.gz SQPRALATRKMTNV-UKTHLTGXSA-N 0 0 368.842 2.660 20 10 FFCDRN O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000119315680 728591584 /nfs/dbraw/zinc/59/15/84/728591584.db2.gz SIGGDDJRSFGVPW-INIZCTEOSA-N 0 0 365.426 2.901 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccccc2C(F)(F)F)c1 ZINC000119827655 728601233 /nfs/dbraw/zinc/60/12/33/728601233.db2.gz XGRLRBKYTQXAID-UHFFFAOYSA-N 0 0 361.341 2.898 20 10 FFCDRN CS[C@@H](CO)[C@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000120297084 728609341 /nfs/dbraw/zinc/60/93/41/728609341.db2.gz KIBJQIGDRZWXDG-YJBOKZPZSA-N 0 0 365.543 2.835 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000121813828 728639662 /nfs/dbraw/zinc/63/96/62/728639662.db2.gz XNOQKUMGDJRHIM-MRXNPFEDSA-N 0 0 360.479 2.662 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]([C@H](C)O)C2)cc1F ZINC000121843702 728640302 /nfs/dbraw/zinc/64/03/02/728640302.db2.gz ROARGEPBNVHRNM-GOEBONIOSA-N 0 0 351.466 2.974 20 10 FFCDRN O=C(Nc1cccc(I)c1)c1cccc(O)c1O ZINC000126173953 728694831 /nfs/dbraw/zinc/69/48/31/728694831.db2.gz WJGXIBCGBXWOTD-UHFFFAOYSA-N 0 0 355.131 2.955 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)CCS(C)(=O)=O ZINC000126381592 728700642 /nfs/dbraw/zinc/70/06/42/728700642.db2.gz QULLPHYOTSQYEK-NSHDSACASA-N 0 0 354.497 2.709 20 10 FFCDRN COc1cc(Br)cc(CNc2ccc(C(N)=O)cc2)c1O ZINC000127840635 728707427 /nfs/dbraw/zinc/70/74/27/728707427.db2.gz IZCOCXBWUAIOMK-UHFFFAOYSA-N 0 0 351.200 2.874 20 10 FFCDRN C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000133736634 728727728 /nfs/dbraw/zinc/72/77/28/728727728.db2.gz MEYLXFHCJQSHKT-OAHLLOKOSA-N 0 0 365.905 2.564 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(Cl)c1F ZINC000134612354 728731443 /nfs/dbraw/zinc/73/14/43/728731443.db2.gz PLCBFFYMOZGTSE-VIFPVBQESA-N 0 0 366.776 2.576 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccncc2Br)cc1F ZINC000151093408 728744285 /nfs/dbraw/zinc/74/42/85/728744285.db2.gz BUFXWFGTEAGEJP-UHFFFAOYSA-N 0 0 352.207 2.979 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@H]1CCN(c2ccccn2)C1 ZINC000151582913 728746022 /nfs/dbraw/zinc/74/60/22/728746022.db2.gz DHFCKFDLVDHRKK-ZDUSSCGKSA-N 0 0 363.512 2.598 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(Br)nc1 ZINC000167068919 728978443 /nfs/dbraw/zinc/97/84/43/728978443.db2.gz OBQXJCGBJGSLDY-UHFFFAOYSA-N 0 0 352.188 2.620 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000170790728 728989240 /nfs/dbraw/zinc/98/92/40/728989240.db2.gz MRUKFBOXECWGNE-OAHLLOKOSA-N 0 0 356.300 2.840 20 10 FFCDRN CC(C)[C@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000170903074 728991556 /nfs/dbraw/zinc/99/15/56/728991556.db2.gz JPGDSMWYKJPGEU-STQMWFEESA-N 0 0 354.472 2.708 20 10 FFCDRN CC[NH+]1CCN(c2ccc(CNC(=O)c3cnc(C)s3)cc2F)CC1 ZINC000171520104 729006127 /nfs/dbraw/zinc/00/61/27/729006127.db2.gz QUFACWBRXVNJHF-UHFFFAOYSA-N 0 0 362.474 2.663 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000751318184 735863856 /nfs/dbraw/zinc/86/38/56/735863856.db2.gz KQGQEBDHPIWPMM-NSHDSACASA-N 0 0 366.395 2.657 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1ccc2c(c1)CCC2 ZINC000177763872 729145869 /nfs/dbraw/zinc/14/58/69/729145869.db2.gz FBSRAHTUXWKDFA-UHFFFAOYSA-N 0 0 361.492 2.869 20 10 FFCDRN O=S(=O)(c1ccc(Cl)s1)N1CCN(Cc2ccccc2O)CC1 ZINC000179558091 729188948 /nfs/dbraw/zinc/18/89/48/729188948.db2.gz HCJOPYJMIFPTSW-UHFFFAOYSA-N 0 0 372.899 2.614 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000183922747 729316515 /nfs/dbraw/zinc/31/65/15/729316515.db2.gz QXQOTDIOZFWRRX-UHFFFAOYSA-N 0 0 358.419 2.670 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000185299875 729346415 /nfs/dbraw/zinc/34/64/15/729346415.db2.gz YKGPQXRDVOKTPE-CYBMUJFWSA-N 0 0 364.442 2.922 20 10 FFCDRN Cc1cccc(C[C@@H](CO)NC(=O)NCCCSc2nccs2)c1 ZINC000190249267 729406146 /nfs/dbraw/zinc/40/61/46/729406146.db2.gz ISBTYEDRLCYVBD-HNNXBMFYSA-N 0 0 365.524 2.837 20 10 FFCDRN COc1ccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756682949 736352036 /nfs/dbraw/zinc/35/20/36/736352036.db2.gz BWGKYDILJFINJP-LLVKDONJSA-N 0 0 350.365 2.760 20 10 FFCDRN COc1ccc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cn1 ZINC000195286924 729534649 /nfs/dbraw/zinc/53/46/49/729534649.db2.gz ONUQAIDJESUQMQ-UHFFFAOYSA-N 0 0 362.451 2.929 20 10 FFCDRN CO[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000195373926 729536881 /nfs/dbraw/zinc/53/68/81/729536881.db2.gz IUSVDMBNWYFENS-GFCCVEGCSA-N 0 0 360.376 2.583 20 10 FFCDRN CCOc1ccccc1-n1nnnc1Sc1ncc([N+](=O)[O-])s1 ZINC000195505360 729540377 /nfs/dbraw/zinc/54/03/77/729540377.db2.gz RKKPAZAUSMBHFQ-UHFFFAOYSA-N 0 0 350.385 2.577 20 10 FFCDRN O[C@@H](COC[C@H]1CCCO1)CN1CCCc2cc(OC(F)F)ccc21 ZINC000245983991 729578165 /nfs/dbraw/zinc/57/81/65/729578165.db2.gz ZBQAXJFOBNSQMY-GDBMZVCRSA-N 0 0 357.397 2.597 20 10 FFCDRN COc1ccc(N(C)CC(=O)N2CCO[C@@H]3CCCC[C@H]32)cc1Cl ZINC000246523733 729587383 /nfs/dbraw/zinc/58/73/83/729587383.db2.gz KRFXOAWPOSWESF-NVXWUHKLSA-N 0 0 352.862 2.955 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000302085580 729732296 /nfs/dbraw/zinc/73/22/96/729732296.db2.gz APGAATBHFZMZGP-TZMCWYRMSA-N 0 0 354.422 2.818 20 10 FFCDRN CNc1cc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc(Cl)n1 ZINC000327423290 729792879 /nfs/dbraw/zinc/79/28/79/729792879.db2.gz GTZQNCHOEDAXIW-UHFFFAOYSA-N 0 0 360.845 2.748 20 10 FFCDRN CC(=O)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000856208292 730316064 /nfs/dbraw/zinc/31/60/64/730316064.db2.gz LVAPZNPUCXXWCE-UHFFFAOYSA-N 0 0 358.463 2.842 20 10 FFCDRN NC(=O)c1cc(F)ccc1N1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000857067424 730377147 /nfs/dbraw/zinc/37/71/47/730377147.db2.gz LMUIYMZIRKQFDT-UHFFFAOYSA-N 0 0 363.820 2.606 20 10 FFCDRN COc1ccc(O)c(CN2CC(O)(c3cccc(Br)c3)C2)c1 ZINC000857069506 730377320 /nfs/dbraw/zinc/37/73/20/730377320.db2.gz KXAGNOQERQTTRF-UHFFFAOYSA-N 0 0 364.239 2.867 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@]12CCC[C@H]1CN(C(=O)C1=CC(=O)CS1)C2 ZINC000857418679 730396447 /nfs/dbraw/zinc/39/64/47/730396447.db2.gz MZIBPCXHKBVMAA-APPDUMDISA-N 0 0 352.456 2.973 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(O)c(C)c1 ZINC000779544200 738469547 /nfs/dbraw/zinc/46/95/47/738469547.db2.gz IONXPYLOVYJRGE-UHFFFAOYSA-N 0 0 363.797 2.875 20 10 FFCDRN Oc1cccc(Br)c1CNc1ccc(N2CCOCC2)cn1 ZINC000858103801 730416642 /nfs/dbraw/zinc/41/66/42/730416642.db2.gz RDUJYWXNSJYSBG-UHFFFAOYSA-N 0 0 364.243 2.998 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](CO)C[C@H]2C)cc1F ZINC000858207723 730419794 /nfs/dbraw/zinc/41/97/94/730419794.db2.gz UVMMUMVBWDDNBC-GDBMZVCRSA-N 0 0 351.466 2.974 20 10 FFCDRN Cc1cc(CNC(=O)NCC2([S@](C)=O)CC2)c(C)n1-c1ccccc1 ZINC000858425768 730425498 /nfs/dbraw/zinc/42/54/98/730425498.db2.gz KAARHEYIOVDUOZ-VWLOTQADSA-N 0 0 359.495 2.804 20 10 FFCDRN CCO[C@H](CS(=O)(=O)NCc1ccc(N(CC)CC)c(F)c1)C1CC1 ZINC000858963526 730438230 /nfs/dbraw/zinc/43/82/30/730438230.db2.gz AMXQIYHABHGGRL-GOSISDBHSA-N 0 0 372.506 2.906 20 10 FFCDRN CCC(F)(F)C(C)(C)CS(=O)(=O)NCc1ccc(OC)cc1O ZINC000859144705 730443216 /nfs/dbraw/zinc/44/32/16/730443216.db2.gz XOCCQPVDSDKZAS-UHFFFAOYSA-N 0 0 351.415 2.892 20 10 FFCDRN COC(=O)c1cccc(NNC(=S)Nc2cccc(NC(C)=O)c2)c1 ZINC000779728870 738480136 /nfs/dbraw/zinc/48/01/36/738480136.db2.gz WKVBLUZAZYCGSI-UHFFFAOYSA-N 0 0 358.423 2.745 20 10 FFCDRN C=CC(=O)N(C)CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000861538266 730622466 /nfs/dbraw/zinc/62/24/66/730622466.db2.gz TXYCQJZPWDQZPL-AWEZNQCLSA-N 0 0 363.889 2.837 20 10 FFCDRN Cn1nc(Br)cc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000779797805 738485062 /nfs/dbraw/zinc/48/50/62/738485062.db2.gz JUMXGADZDUNKSZ-YFHOEESVSA-N 0 0 355.261 2.639 20 10 FFCDRN CN(C)c1cc(F)c(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)cc1F ZINC000862245264 730681066 /nfs/dbraw/zinc/68/10/66/730681066.db2.gz LMPCRLIICDYAQA-ZDUSSCGKSA-N 0 0 365.346 2.626 20 10 FFCDRN CCc1nsc(N2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)n1 ZINC000862247771 730681322 /nfs/dbraw/zinc/68/13/22/730681322.db2.gz BWLVTKDHJLUHAJ-UHFFFAOYSA-N 0 0 367.469 2.767 20 10 FFCDRN CN(C)C(=O)O[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862383276 730694926 /nfs/dbraw/zinc/69/49/26/730694926.db2.gz OVZZMXJXZIMOEM-NSHDSACASA-N 0 0 357.248 2.817 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cn3c(n2)CCCC3)cc1 ZINC000779878081 738492609 /nfs/dbraw/zinc/49/26/09/738492609.db2.gz WJVUASRNEDFTMB-UHFFFAOYSA-N 0 0 362.499 2.544 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C[C@@H](C)n2cc(Br)cn2)c1 ZINC000862755386 730723483 /nfs/dbraw/zinc/72/34/83/730723483.db2.gz RVLWFESPFIMHAS-LLVKDONJSA-N 0 0 352.232 2.927 20 10 FFCDRN COc1cc(NS(=O)(=O)C[C@H](OC)c2ccc(F)cc2)ccc1O ZINC000863407230 730777506 /nfs/dbraw/zinc/77/75/06/730777506.db2.gz ATWOPPACIARAIE-INIZCTEOSA-N 0 0 355.387 2.669 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1cn[nH]c1 ZINC000863892737 730813822 /nfs/dbraw/zinc/81/38/22/730813822.db2.gz HNLKAWFBQZNRRI-UHFFFAOYSA-N 0 0 352.232 2.859 20 10 FFCDRN Cc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c(F)c1 ZINC000864356481 730841177 /nfs/dbraw/zinc/84/11/77/730841177.db2.gz OZMYKSCULOFLRS-RVDMUPIBSA-N 0 0 366.483 2.668 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ncc2n1CCCC2 ZINC000864918392 730891578 /nfs/dbraw/zinc/89/15/78/730891578.db2.gz FOCFXJLONKRPKA-UHFFFAOYSA-N 0 0 356.495 2.703 20 10 FFCDRN Cc1cc(CNC(=S)NCc2ccc(N3CCSCC3)cc2)no1 ZINC000865230942 730926492 /nfs/dbraw/zinc/92/64/92/730926492.db2.gz YFVUTNTVYQWJPL-UHFFFAOYSA-N 0 0 362.524 2.701 20 10 FFCDRN COC(=O)c1cnc(S[C@@H](C(=O)OC)c2cccc(OC)c2)s1 ZINC000865368660 730947197 /nfs/dbraw/zinc/94/71/97/730947197.db2.gz DBUCLFPWBQHOOP-GFCCVEGCSA-N 0 0 353.421 2.945 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000865682644 730985121 /nfs/dbraw/zinc/98/51/21/730985121.db2.gz IRWRYVHBMZFPQZ-JTQLQIEISA-N 0 0 365.153 2.639 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCO[C@H](C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000866064788 731027612 /nfs/dbraw/zinc/02/76/12/731027612.db2.gz XXNGDFQZRKCTBC-KQIUPUNMSA-N 0 0 356.325 2.641 20 10 FFCDRN CC(F)(F)CCS(=O)(=O)NCc1cc(Br)ccc1O ZINC000867265488 731163038 /nfs/dbraw/zinc/16/30/38/731163038.db2.gz IVNPLCSJBAHSIA-UHFFFAOYSA-N 0 0 358.204 2.619 20 10 FFCDRN CCc1onc(C)c1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000925464734 738508274 /nfs/dbraw/zinc/50/82/74/738508274.db2.gz UBGCHJAGEVTLBE-UHFFFAOYSA-N 0 0 363.801 2.869 20 10 FFCDRN COC(C)(C)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000925486935 738510049 /nfs/dbraw/zinc/51/00/49/738510049.db2.gz UEWCADZJXNTRQZ-ZBFHGGJFSA-N 0 0 350.459 2.896 20 10 FFCDRN CCOCCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000867833856 731231977 /nfs/dbraw/zinc/23/19/77/731231977.db2.gz CMBZSFWOPRXZQF-AWEZNQCLSA-N 0 0 365.451 2.847 20 10 FFCDRN 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COC(=O)C(C)(C)Cc1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1 ZINC000880999273 733002658 /nfs/dbraw/zinc/00/26/58/733002658.db2.gz IZHLNHUHMLEDGP-UHFFFAOYSA-N 0 0 365.817 2.630 20 10 FFCDRN COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(C)cc(Br)c1O ZINC000781922346 738673492 /nfs/dbraw/zinc/67/34/92/738673492.db2.gz XRDVAIPUPMHKCD-JSGCOSHPSA-N 0 0 372.259 2.616 20 10 FFCDRN O=C(c1cc(NCCCSc2nccs2)ccn1)N1CCOCC1 ZINC000881981987 733149718 /nfs/dbraw/zinc/14/97/18/733149718.db2.gz POCGRIKLSUHAHY-UHFFFAOYSA-N 0 0 364.496 2.605 20 10 FFCDRN O=S1(=O)CCCN1c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000882907937 733310095 /nfs/dbraw/zinc/31/00/95/733310095.db2.gz WGOVZWIMULSVPE-UHFFFAOYSA-N 0 0 354.378 2.822 20 10 FFCDRN CO[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883133393 733339831 /nfs/dbraw/zinc/33/98/31/733339831.db2.gz XPFCGWWSWQROMU-ZANVPECISA-N 0 0 364.667 2.949 20 10 FFCDRN O=C1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C[C@@H]2CCCCN12 ZINC000883140608 733341088 /nfs/dbraw/zinc/34/10/88/733341088.db2.gz 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CCCNC(=O)C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895604505 735031014 /nfs/dbraw/zinc/03/10/14/735031014.db2.gz JGOMGKMGIPINTB-UHFFFAOYSA-N 0 0 362.451 2.691 20 10 FFCDRN CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(Br)cc1O ZINC000895863232 735066162 /nfs/dbraw/zinc/06/61/62/735066162.db2.gz JPXRVLLMGUXTGV-KGLIPLIRSA-N 0 0 372.259 2.745 20 10 FFCDRN COc1c([O-])c(C[NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000896810795 735184369 /nfs/dbraw/zinc/18/43/69/735184369.db2.gz CEGSYSLFDNFHHI-JQWIXIFHSA-N 0 0 364.320 2.899 20 10 FFCDRN CN(C(=O)CNC(=O)c1cc2cc(O)c(O)cc2s1)C1CCCCC1 ZINC000896835783 735185387 /nfs/dbraw/zinc/18/53/87/735185387.db2.gz IMLWTTKCSLKNPY-UHFFFAOYSA-N 0 0 362.451 2.833 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000897198829 735205631 /nfs/dbraw/zinc/20/56/31/735205631.db2.gz BZIUVZWRKXLALJ-OCCSQVGLSA-N 0 0 369.259 2.912 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897261710 735212168 /nfs/dbraw/zinc/21/21/68/735212168.db2.gz 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737933004 /nfs/dbraw/zinc/93/30/04/737933004.db2.gz PKXIJCOEEUSUBI-LBPRGKRZSA-N 0 0 354.472 2.852 20 10 FFCDRN Cc1nc2ccc(NC=C3C(=O)NC(=S)N(CC(C)C)C3=O)cc2s1 ZINC000920977577 737937484 /nfs/dbraw/zinc/93/74/84/737937484.db2.gz CVTGECBCMRFSSR-KPKJPENVSA-N 0 0 374.491 2.800 20 10 FFCDRN C[C@@H](NC(=O)C[C@@H](NC(N)=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000773990646 737951927 /nfs/dbraw/zinc/95/19/27/737951927.db2.gz WCGQQAZJCFFPAP-IUODEOHRSA-N 0 0 360.483 2.791 20 10 FFCDRN Cc1cc(O)c(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)cc1C ZINC000774651640 738010535 /nfs/dbraw/zinc/01/05/35/738010535.db2.gz VXISXRLONKBLKZ-INIZCTEOSA-N 0 0 350.459 2.735 20 10 FFCDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)[C@H]1C ZINC000774762126 738023287 /nfs/dbraw/zinc/02/32/87/738023287.db2.gz YZHMXBSVWDIXAO-FRRDWIJNSA-N 0 0 355.529 2.682 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC(c2cn[nH]c2)CC1 ZINC000775444126 738093325 /nfs/dbraw/zinc/09/33/25/738093325.db2.gz WESQQQWFLLBPIN-UHFFFAOYSA-N 0 0 351.501 2.938 20 10 FFCDRN COc1ccc(CNc2cc(CNS(C)(=O)=O)ccc2OC)c(C)c1 ZINC000922164797 738099642 /nfs/dbraw/zinc/09/96/42/738099642.db2.gz YAQLRKGXEONOGU-UHFFFAOYSA-N 0 0 364.467 2.674 20 10 FFCDRN Cc1cc(Br)cc(CN(C)Cc2nnc3n2CCC3)c1O ZINC000775645039 738108829 /nfs/dbraw/zinc/10/88/29/738108829.db2.gz BVDWNGLCZJMXSJ-UHFFFAOYSA-N 0 0 351.248 2.633 20 10 FFCDRN O=C(c1ccn(C(F)F)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000775782290 738124598 /nfs/dbraw/zinc/12/45/98/738124598.db2.gz VSRVVUUKXXQBEG-CYBMUJFWSA-N 0 0 351.353 2.805 20 10 FFCDRN C[C@H](NCc1csc(CS(C)(=O)=O)n1)c1ccc(N(C)C)cc1 ZINC000775832753 738129962 /nfs/dbraw/zinc/12/99/62/738129962.db2.gz BLGCMTGMHWFBRR-LBPRGKRZSA-N 0 0 353.513 2.605 20 10 FFCDRN COCCNS(=O)(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC000922367597 738130269 /nfs/dbraw/zinc/13/02/69/738130269.db2.gz HPTWPBAYGVQWLB-UHFFFAOYSA-N 0 0 370.858 2.582 20 10 FFCDRN NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000776174452 738168073 /nfs/dbraw/zinc/16/80/73/738168073.db2.gz PAGMCAALJNZVNX-CYBMUJFWSA-N 0 0 363.820 2.652 20 10 FFCDRN COc1cc(Br)cc(C[NH2+]C[C@]2(OC(C)C)CCOC2)c1O ZINC000922612224 738173012 /nfs/dbraw/zinc/17/30/12/738173012.db2.gz ZRAJOFJMGGZHFA-MRXNPFEDSA-N 0 0 374.275 2.837 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3C[C@H]3C(F)(F)F)C2)cc1 ZINC000923188208 738252672 /nfs/dbraw/zinc/25/26/72/738252672.db2.gz QJIMVDCMDFPILV-YWPYICTPSA-N 0 0 357.376 2.772 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC000928706240 738897795 /nfs/dbraw/zinc/89/77/95/738897795.db2.gz PMMMVYGSWSAXNB-UHFFFAOYSA-N 0 0 363.410 2.788 20 10 FFCDRN CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2c(O)cccc2F)cc1 ZINC000928708537 738898254 /nfs/dbraw/zinc/89/82/54/738898254.db2.gz NZZKHFSHSJTQCE-UHFFFAOYSA-N 0 0 365.426 2.572 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)C[C@H]1CCCOC1 ZINC000784744867 738916862 /nfs/dbraw/zinc/91/68/62/738916862.db2.gz YRCKTXYQXASRQB-SFHVURJKSA-N 0 0 366.527 2.865 20 10 FFCDRN CCS[C@H]1CCCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000785422380 738962692 /nfs/dbraw/zinc/96/26/92/738962692.db2.gz KOGPISYVZLXASN-KRWDZBQOSA-N 0 0 363.527 2.503 20 10 FFCDRN COCCN(Cc1ccnn1C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000786236052 739036080 /nfs/dbraw/zinc/03/60/80/739036080.db2.gz OMCGNNMAISNWKQ-UHFFFAOYSA-N 0 0 351.834 2.630 20 10 FFCDRN CS[C@@H](C)CCC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000786260045 739037609 /nfs/dbraw/zinc/03/76/09/739037609.db2.gz VLDUGXOIEFILCI-HNNXBMFYSA-N 0 0 363.527 2.503 20 10 FFCDRN CO[C@H](CCNC(=O)NCCCSc1nccs1)C(F)(F)F ZINC000786788078 739076941 /nfs/dbraw/zinc/07/69/41/739076941.db2.gz CUSQACUXRNHKCU-SECBINFHSA-N 0 0 357.423 2.892 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1 ZINC000787131293 739107555 /nfs/dbraw/zinc/10/75/55/739107555.db2.gz MLNBHBAGSZNUGL-MRXNPFEDSA-N 0 0 360.845 2.538 20 10 FFCDRN Cn1cc([C@@H](NC(=O)NCc2cccc(Cl)c2O)C(F)(F)F)cn1 ZINC000931099885 739212213 /nfs/dbraw/zinc/21/22/13/739212213.db2.gz IEBFCMFVEQVOBI-GFCCVEGCSA-N 0 0 362.739 2.882 20 10 FFCDRN C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270273 739226102 /nfs/dbraw/zinc/22/61/02/739226102.db2.gz QTAHOWZKDSDAGT-XVKPBYJWSA-N 0 0 365.065 2.872 20 10 FFCDRN COC(=O)[C@@H](CC(F)F)NCc1cc(C)cc(Br)c1O ZINC000789578538 739369773 /nfs/dbraw/zinc/36/97/73/739369773.db2.gz BLWJUZUILZHHQE-SNVBAGLBSA-N 0 0 352.175 2.750 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc(OC)cc2OC(F)F)c1 ZINC000789815438 739389853 /nfs/dbraw/zinc/38/98/53/739389853.db2.gz BMWUITLHBFCIRC-UHFFFAOYSA-N 0 0 353.321 2.941 20 10 FFCDRN CCC[C@H](CCCS(C)(=O)=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000789996872 739403752 /nfs/dbraw/zinc/40/37/52/739403752.db2.gz VUOGEZQGEBSIPE-UONOGXRCSA-N 0 0 371.499 2.819 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(N2CCOC2=O)cc1 ZINC000790416692 739451483 /nfs/dbraw/zinc/45/14/83/739451483.db2.gz BJWSMVDBTWZBGW-UHFFFAOYSA-N 0 0 362.407 2.712 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCSC1 ZINC000790499995 739462186 /nfs/dbraw/zinc/46/21/86/739462186.db2.gz AQQZVAWFOGGDAT-HNNXBMFYSA-N 0 0 351.541 2.792 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCn3c(cnc3C(F)(F)F)C2)c1O ZINC000932583096 739471749 /nfs/dbraw/zinc/47/17/49/739471749.db2.gz BGWIFPJRJQAREM-UHFFFAOYSA-N 0 0 357.307 2.965 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000790617842 739475713 /nfs/dbraw/zinc/47/57/13/739475713.db2.gz CZHDTMUXACLRDA-JSGCOSHPSA-N 0 0 360.292 2.711 20 10 FFCDRN Cc1[nH]nc(Br)c1C(=O)NCCCSc1nccs1 ZINC000932686161 739493802 /nfs/dbraw/zinc/49/38/02/739493802.db2.gz FNSXXMOHFZRFNN-UHFFFAOYSA-N 0 0 361.290 2.849 20 10 FFCDRN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1O ZINC000790873238 739507352 /nfs/dbraw/zinc/50/73/52/739507352.db2.gz JVLNHKXJYKKIEJ-LBPRGKRZSA-N 0 0 352.431 2.767 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]([C@H]2CCOC2)C(F)(F)F)c1 ZINC000933018131 739558988 /nfs/dbraw/zinc/55/89/88/739558988.db2.gz PLVWEDBCXYRKPQ-BHDSKKPTSA-N 0 0 362.348 2.728 20 10 FFCDRN O=C1NCCN(Cc2ccccc2O)[C@@H]1c1ccc(Br)cc1 ZINC000793384907 739775751 /nfs/dbraw/zinc/77/57/51/739775751.db2.gz PPLKUNONSILHGW-MRXNPFEDSA-N 0 0 361.239 2.828 20 10 FFCDRN COc1ccc(CNC(=O)COc2ccc(Br)cc2)c(O)c1 ZINC000794377007 739884790 /nfs/dbraw/zinc/88/47/90/739884790.db2.gz DVGFVONIPVUBHV-UHFFFAOYSA-N 0 0 366.211 2.859 20 10 FFCDRN COc1ccc(CNC(=O)CNc2cc(Cl)ccc2OC)c(O)c1 ZINC000794377125 739884818 /nfs/dbraw/zinc/88/48/18/739884818.db2.gz MNOPBKCTVNIXOS-UHFFFAOYSA-N 0 0 350.802 2.791 20 10 FFCDRN C[C@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000795828469 740068365 /nfs/dbraw/zinc/06/83/65/740068365.db2.gz FFBVJRDXKDMZSV-GFCCVEGCSA-N 0 0 353.438 2.669 20 10 FFCDRN O=S(=O)(Cc1ccc(F)cc1)NCc1cc(Br)ccc1O ZINC000796190870 740114276 /nfs/dbraw/zinc/11/42/76/740114276.db2.gz LOLMDNQOKWPNIJ-UHFFFAOYSA-N 0 0 374.231 2.913 20 10 FFCDRN CCCN(CCC)S(=O)(=O)NCc1cc(Br)ccc1O ZINC000796191536 740114411 /nfs/dbraw/zinc/11/44/11/740114411.db2.gz WVCMUIBBWSTQRZ-UHFFFAOYSA-N 0 0 365.293 2.611 20 10 FFCDRN C[C@@H]1CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H]1C ZINC000796455513 740144935 /nfs/dbraw/zinc/14/49/35/740144935.db2.gz MHJPSBLBLAYHDW-FRRDWIJNSA-N 0 0 354.472 2.566 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)C2(S(C)(=O)=O)CC2)c1 ZINC000796488267 740147180 /nfs/dbraw/zinc/14/71/80/740147180.db2.gz CJQLSMJUQUQDEI-SNVBAGLBSA-N 0 0 362.289 2.518 20 10 FFCDRN COC(=O)N1CCC(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000796505057 740148312 /nfs/dbraw/zinc/14/83/12/740148312.db2.gz CJBRLQIWBJNGMG-UHFFFAOYSA-N 0 0 357.794 2.522 20 10 FFCDRN CCN(CC(=O)N1CCCCCC1)Cc1cc(F)cc(C(C)=O)c1O ZINC000796603330 740160553 /nfs/dbraw/zinc/16/05/53/740160553.db2.gz QNYWCEOHVBXSMI-UHFFFAOYSA-N 0 0 350.434 2.958 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc(Br)nc2)c(O)c1 ZINC000797635419 740260690 /nfs/dbraw/zinc/26/06/90/740260690.db2.gz OTXPJRBXGNLRBJ-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)c1 ZINC000797820081 740275944 /nfs/dbraw/zinc/27/59/44/740275944.db2.gz FJHZPCLLNPDPQW-UHFFFAOYSA-N 0 0 369.370 2.517 20 10 FFCDRN COc1cncc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000798429957 740331127 /nfs/dbraw/zinc/33/11/27/740331127.db2.gz UJURRLYBBOBDBO-UHFFFAOYSA-N 0 0 363.483 2.756 20 10 FFCDRN CSC[C@H](C)C(=O)N1CCC(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000799689587 740441157 /nfs/dbraw/zinc/44/11/57/740441157.db2.gz NKSLAPMTZAWKOV-AWEZNQCLSA-N 0 0 364.511 2.588 20 10 FFCDRN C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)cc(F)c1[O-] ZINC000799727263 740445558 /nfs/dbraw/zinc/44/55/58/740445558.db2.gz BKKBAZLQMZDRGI-RLBGWGEZSA-N 0 0 350.253 2.856 20 10 FFCDRN CC[C@@](O)(C(=O)OCC(=O)c1ccc(O)c(O)c1)c1cccc(Cl)c1 ZINC000800322794 740513168 /nfs/dbraw/zinc/51/31/68/740513168.db2.gz XIVUHJIXOVCHPG-SFHVURJKSA-N 0 0 364.781 2.775 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cc(Br)cc2[nH]cnc21 ZINC000800519699 740531155 /nfs/dbraw/zinc/53/11/55/740531155.db2.gz UJSATLPJTRZACB-UHFFFAOYSA-N 0 0 362.183 2.667 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(C)(C)C(N)=O)cc2Cl)C1 ZINC000800571286 740534641 /nfs/dbraw/zinc/53/46/41/740534641.db2.gz HXJWCWNYZVSVJW-LBPRGKRZSA-N 0 0 351.878 2.704 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000802781816 740730466 /nfs/dbraw/zinc/73/04/66/740730466.db2.gz HDTNGZFVKCXQBW-RYUDHWBXSA-N 0 0 352.431 2.739 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3csc(C)c3)cc2)CC1 ZINC000803161938 740770804 /nfs/dbraw/zinc/77/08/04/740770804.db2.gz KTRLDWLEPSUXBU-UHFFFAOYSA-N 0 0 357.479 2.655 20 10 FFCDRN COC[C@H]1NC(=O)N(Cc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1=O ZINC000804188649 740852875 /nfs/dbraw/zinc/85/28/75/740852875.db2.gz PKNQCRVLPYKFLC-SWLSCSKDSA-N 0 0 365.861 2.643 20 10 FFCDRN O=C(CCc1ccc(=O)[nH]c1)NCc1cc(Br)ccc1O ZINC000804738880 740901827 /nfs/dbraw/zinc/90/18/27/740901827.db2.gz IBPJRQDRJHKCGC-UHFFFAOYSA-N 0 0 351.200 2.504 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)Nn1cnc2ccccc21 ZINC000804869213 740912048 /nfs/dbraw/zinc/91/20/48/740912048.db2.gz MOLPNLAOBFIJBF-UHFFFAOYSA-N 0 0 361.199 2.958 20 10 FFCDRN CC[C@@H](NC(=O)NCc1cc(Br)ccc1O)[C@@H]1CCCO1 ZINC000805232643 740951308 /nfs/dbraw/zinc/95/13/08/740951308.db2.gz ZUQGMLZLWGDCJS-OCCSQVGLSA-N 0 0 357.248 2.912 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000805292848 740958338 /nfs/dbraw/zinc/95/83/38/740958338.db2.gz JPAJOWAIWRLUTB-UKRRQHHQSA-N 0 0 369.259 2.912 20 10 FFCDRN CC[C@@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806165579 741044344 /nfs/dbraw/zinc/04/43/44/741044344.db2.gz MKYFIZAQMZXNOY-GFCCVEGCSA-N 0 0 373.240 2.818 20 10 FFCDRN CN(Cc1ccc(F)cc1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806275558 741048941 /nfs/dbraw/zinc/04/89/41/741048941.db2.gz LEEWICISZCLQCY-UHFFFAOYSA-N 0 0 367.471 2.539 20 10 FFCDRN CC(C)C[C@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806277434 741049423 /nfs/dbraw/zinc/04/94/23/741049423.db2.gz CBHDRSHHBUJILP-CYBMUJFWSA-N 0 0 355.529 2.636 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C2CN(CC(F)(F)F)C2)C2CC2)cc1 ZINC000806423239 741058640 /nfs/dbraw/zinc/05/86/40/741058640.db2.gz NGSGTIUVCLLZBU-UHFFFAOYSA-N 0 0 355.404 2.738 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1CN(CC(F)(F)F)C1 ZINC000806666495 741079528 /nfs/dbraw/zinc/07/95/28/741079528.db2.gz OFGXNNBEWDYMER-UHFFFAOYSA-N 0 0 355.404 2.787 20 10 FFCDRN CC(C)OC(=O)CCCNC(=O)NCc1cc(Br)ccc1O ZINC000807114198 741112303 /nfs/dbraw/zinc/11/23/03/741112303.db2.gz LECNPRSBPKTWOK-UHFFFAOYSA-N 0 0 373.247 2.686 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCC[C@@H]1CCO ZINC000807154375 741114220 /nfs/dbraw/zinc/11/42/20/741114220.db2.gz JHLXPMMZKUIKOO-MFKMUULPSA-N 0 0 357.248 2.505 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC)c1nccs1 ZINC000807257068 741123365 /nfs/dbraw/zinc/12/33/65/741123365.db2.gz FFPNVTYJBWSIHB-AWEZNQCLSA-N 0 0 361.467 2.855 20 10 FFCDRN CC(C)[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCS1 ZINC000807670015 741148073 /nfs/dbraw/zinc/14/80/73/741148073.db2.gz AACHMGSVUSIRDU-PBHICJAKSA-N 0 0 363.527 2.530 20 10 FFCDRN CC(=O)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C ZINC000808012881 741177713 /nfs/dbraw/zinc/17/77/13/741177713.db2.gz XPCCIZWDYQFLLT-UHFFFAOYSA-N 0 0 352.415 2.944 20 10 FFCDRN CC(=O)C(=O)COC(=O)CC1(CNC(=O)OC(C)(C)C)CCCCC1 ZINC000808537149 741233688 /nfs/dbraw/zinc/23/36/88/741233688.db2.gz IVFPBLRBWQEFLL-UHFFFAOYSA-N 0 0 355.431 2.553 20 10 FFCDRN Cc1cc(Br)cc(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000809699729 741333644 /nfs/dbraw/zinc/33/36/44/741333644.db2.gz WDGXQLOWKUPCGV-CABCVRRESA-N 0 0 356.260 2.843 20 10 FFCDRN Cc1cc(Br)cc(CN2CCOC[C@H]2[C@H]2CCCO2)c1O ZINC000809699734 741333874 /nfs/dbraw/zinc/33/38/74/741333874.db2.gz WDGXQLOWKUPCGV-LSDHHAIUSA-N 0 0 356.260 2.843 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000809779704 741342656 /nfs/dbraw/zinc/34/26/56/741342656.db2.gz WTCDOYYGQMCBCA-CYBMUJFWSA-N 0 0 366.801 2.828 20 10 FFCDRN COCC[C@H](COC)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000810257395 741402226 /nfs/dbraw/zinc/40/22/26/741402226.db2.gz PQQOQYWWWPRXOF-VHSXEESVSA-N 0 0 350.228 2.996 20 10 FFCDRN OC1(c2ccc(Cl)cc2)CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000811508950 741531291 /nfs/dbraw/zinc/53/12/91/741531291.db2.gz FZSFXTMYUGRPCR-UHFFFAOYSA-N 0 0 358.869 2.880 20 10 FFCDRN CN(C)c1cccnc1CNC(=O)NCCCSc1nccs1 ZINC000812153652 741592213 /nfs/dbraw/zinc/59/22/13/741592213.db2.gz GUIJFHFQWQIDLP-UHFFFAOYSA-N 0 0 351.501 2.586 20 10 FFCDRN COc1ccc2c(c1)CCN2Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000813334801 741702288 /nfs/dbraw/zinc/70/22/88/741702288.db2.gz YXVGLSDERFZRQD-UHFFFAOYSA-N 0 0 352.843 2.559 20 10 FFCDRN Cc1cc(CN2CCS(=O)(=O)C3(CCCCC3)C2)ccc1N(C)C ZINC000815060639 741893287 /nfs/dbraw/zinc/89/32/87/741893287.db2.gz XMTAPDROHKKTCA-UHFFFAOYSA-N 0 0 350.528 2.994 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3ccc(F)cc3F)no2)c1 ZINC000815701355 741954346 /nfs/dbraw/zinc/95/43/46/741954346.db2.gz MHHDMUPQMVGZOH-UHFFFAOYSA-N 0 0 367.333 2.759 20 10 FFCDRN O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816530384 742038814 /nfs/dbraw/zinc/03/88/14/742038814.db2.gz GJENDQAUJUNIKJ-UHFFFAOYSA-N 0 0 369.824 2.529 20 10 FFCDRN 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COc1ccc(N2CCN(C(=O)[C@@H]3CCO[C@H](C(C)C)C3)CC2)cc1F ZINC000934403787 1021222312 /nfs/dbraw/zinc/22/23/12/1021222312.db2.gz ICFVLEHQOCCAJP-BEFAXECRSA-N 0 0 364.461 2.934 20 10 FFCDRN CNC(=O)N1CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)CC1 ZINC001116749053 1021392017 /nfs/dbraw/zinc/39/20/17/1021392017.db2.gz XTRQUBBPHKBYKH-UHFFFAOYSA-N 0 0 374.872 2.845 20 10 FFCDRN COCCCOc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1C ZINC000934938361 1021476330 /nfs/dbraw/zinc/47/63/30/1021476330.db2.gz ACNMLGIUVKTRAO-UHFFFAOYSA-N 0 0 359.422 2.794 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)c1 ZINC000934940981 1021477710 /nfs/dbraw/zinc/47/77/10/1021477710.db2.gz UDNQUWQQPNUBEJ-HZMBPMFUSA-N 0 0 358.369 2.843 20 10 FFCDRN CCOc1cccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC001117091568 1021563156 /nfs/dbraw/zinc/56/31/56/1021563156.db2.gz FWVUMAFOKJGODH-CQSZACIVSA-N 0 0 356.422 2.627 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCc2cnc(C)s2)cc1 ZINC001117094843 1021564469 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Cc1cc(C(=O)NCCCN2CCOCC2)c(C)n1-c1ccccc1C ZINC000047465948 1022559088 /nfs/dbraw/zinc/55/90/88/1022559088.db2.gz QFNRILUDNSEWIX-UHFFFAOYSA-N 0 0 355.482 2.855 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000750862093 1022665709 /nfs/dbraw/zinc/66/57/09/1022665709.db2.gz QTVCUWASAWJGDK-IRXDYDNUSA-N 0 0 372.465 2.696 20 10 FFCDRN CCOCCO[C@@H](C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751300314 1022787819 /nfs/dbraw/zinc/78/78/19/1022787819.db2.gz VXQSYJXVQLXJMM-AWEZNQCLSA-N 0 0 354.410 2.776 20 10 FFCDRN NC(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)s1 ZINC000751307920 1022788972 /nfs/dbraw/zinc/78/89/72/1022788972.db2.gz OOXKBTAPVPUBSE-UHFFFAOYSA-N 0 0 363.402 2.809 20 10 FFCDRN O=C(C[C@H]1CCC2(CCC2)CO1)NCc1ccc(N2CCOCC2)cc1 ZINC001119519182 1022834697 /nfs/dbraw/zinc/83/46/97/1022834697.db2.gz CJAJOGDSDIYCMS-LJQANCHMSA-N 0 0 358.482 2.879 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CCCC2(CC2)C1 ZINC001119735121 1022962832 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C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](O)c1cccc(F)c1 ZINC000752911671 1023222001 /nfs/dbraw/zinc/22/20/01/1023222001.db2.gz LMUCSINYYURSTH-XIKOKIGWSA-N 0 0 363.408 2.952 20 10 FFCDRN CCSc1ccc(CNC(=O)C(=O)N(C)Cc2ccccc2O)cc1 ZINC001120299122 1023298671 /nfs/dbraw/zinc/29/86/71/1023298671.db2.gz XZVHEPSAVWDCBS-UHFFFAOYSA-N 0 0 358.463 2.779 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(C(F)(F)F)C1 ZINC001120326568 1023307966 /nfs/dbraw/zinc/30/79/66/1023307966.db2.gz GFPMSXXVTLPBIB-GUYCJALGSA-N 0 0 370.371 2.542 20 10 FFCDRN CN1CCc2ccc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)cc21 ZINC000753369356 1023314430 /nfs/dbraw/zinc/31/44/30/1023314430.db2.gz VIDMPMWGGOKYOB-UHFFFAOYSA-N 0 0 371.506 2.758 20 10 FFCDRN O=C1c2ccccc2C(=O)c2c(OC3CCC(O)CC3)cc(O)c(O)c21 ZINC001218367352 1033125567 /nfs/dbraw/zinc/12/55/67/1033125567.db2.gz PHHSKUZCWQPSGH-UHFFFAOYSA-N 0 0 354.358 2.556 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2cc3c(c(OC)c2)OCO3)cc1 ZINC000753591504 1023357398 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FFCDRN COc1ccc(N2CCC(NC(=O)[C@H]3COc4ccccc43)CC2)cc1 ZINC000078681108 1023923016 /nfs/dbraw/zinc/92/30/16/1023923016.db2.gz PANUETOKTZPHJC-IBGZPJMESA-N 0 0 352.434 2.956 20 10 FFCDRN CCCOc1cccnc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000758093483 1023925738 /nfs/dbraw/zinc/92/57/38/1023925738.db2.gz PYOVZMVRCXIZNX-UHFFFAOYSA-N 0 0 373.428 2.776 20 10 FFCDRN O=C(CCc1cccc(O)c1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001123667320 1023928866 /nfs/dbraw/zinc/92/88/66/1023928866.db2.gz STJQUFTXKWAYBQ-UHFFFAOYSA-N 0 0 368.477 2.850 20 10 FFCDRN COC12CCC(C(=O)NCc3c(O)ccc4c3CCCC4)(CC1)C(=O)C2 ZINC001123669043 1023929813 /nfs/dbraw/zinc/92/98/13/1023929813.db2.gz KGMNOMZCBUVMOV-UHFFFAOYSA-N 0 0 357.450 2.806 20 10 FFCDRN C[C@@H](NC(=O)c1c(N)cccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000779502442 1023943931 /nfs/dbraw/zinc/94/39/31/1023943931.db2.gz FKHSWLLBQCZKCN-CYBMUJFWSA-N 0 0 370.409 2.505 20 10 FFCDRN CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779509420 1023946838 /nfs/dbraw/zinc/94/68/38/1023946838.db2.gz LHSMIOGLWDRACV-POHAHGRESA-N 0 0 373.380 2.842 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000779515512 1023948892 /nfs/dbraw/zinc/94/88/92/1023948892.db2.gz TXYLDMKGXWTIAY-CCCPALQASA-N 0 0 367.401 2.845 20 10 FFCDRN COC(=O)Nc1ccc(CCNC(=O)C=Cc2ccc(O)c(O)c2)cc1 ZINC000779519671 1023950680 /nfs/dbraw/zinc/95/06/80/1023950680.db2.gz LWOCCRDCYYZKGU-UITAMQMPSA-N 0 0 356.378 2.648 20 10 FFCDRN CCOC[C@H]1C(=O)N(CC)CC12CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137835801 1033174639 /nfs/dbraw/zinc/17/46/39/1033174639.db2.gz OEDPIJHAIUTSJL-INIZCTEOSA-N 0 0 364.461 2.628 20 10 FFCDRN [O-]c1cccc(F)c1C[N@@H+]1C[C@@H]2COC[C@]2(COCc2ccncc2)C1 ZINC001137836298 1033176015 /nfs/dbraw/zinc/17/60/15/1033176015.db2.gz YBUSBKPPASSXIO-OXQOHEQNSA-N 0 0 358.413 2.592 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(C[C@@H](O)c1ccc(F)cc1)C1CC1 ZINC000779531639 1023968394 /nfs/dbraw/zinc/96/83/94/1023968394.db2.gz CRNWYXUXPLRBFP-ZZVNXXJOSA-N 0 0 357.381 2.975 20 10 FFCDRN CCn1c(-c2cocn2)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001121846671 1024100572 /nfs/dbraw/zinc/10/05/72/1024100572.db2.gz YMKZPKLDIPPLQS-UHFFFAOYSA-N 0 0 368.441 2.678 20 10 FFCDRN CCOC(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cn1 ZINC000758448751 1024121907 /nfs/dbraw/zinc/12/19/07/1024121907.db2.gz LGSUJSSLNBNMHZ-UHFFFAOYSA-N 0 0 359.401 2.846 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)OC[C@H]3CCN(C(C)=O)C3)ccc21 ZINC000758565271 1024179197 /nfs/dbraw/zinc/17/91/97/1024179197.db2.gz IFULCBFOULITSF-KRWDZBQOSA-N 0 0 372.465 2.930 20 10 FFCDRN Cc1cc(C(=O)NCc2nnnn2C)c(C)n1-c1ccc(C(C)C)cc1 ZINC000779569529 1024187468 /nfs/dbraw/zinc/18/74/68/1024187468.db2.gz FMEBIUWGSDFDPM-UHFFFAOYSA-N 0 0 352.442 2.671 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H](CO)Cc1ccccc1 ZINC000079144889 1024187875 /nfs/dbraw/zinc/18/78/75/1024187875.db2.gz HMXQJDJEPGOEFX-LJQANCHMSA-N 0 0 353.466 2.690 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)CCCNC(=O)C1CCC1 ZINC000758792139 1024302927 /nfs/dbraw/zinc/30/29/27/1024302927.db2.gz VIQRXFTVRIXXOX-UHFFFAOYSA-N 0 0 360.502 2.509 20 10 FFCDRN COc1cccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000079606620 1024310037 /nfs/dbraw/zinc/31/00/37/1024310037.db2.gz FHEXRDOLVRVXRV-UHFFFAOYSA-N 0 0 354.450 2.834 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1ccnc(N2CCOCC2)n1 ZINC000758835575 1024331314 /nfs/dbraw/zinc/33/13/14/1024331314.db2.gz XMGSQTPYWZAIPO-UHFFFAOYSA-N 0 0 367.497 2.940 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cnc3cc(C)ccn3c2=O)cc1 ZINC000079713231 1024340006 /nfs/dbraw/zinc/34/00/06/1024340006.db2.gz JBZVYAIOPXVIRC-UHFFFAOYSA-N 0 0 364.449 2.779 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N([C@@H](C)C3CC3)C3CC3)CC2)cc1 ZINC000079808938 1024375960 /nfs/dbraw/zinc/37/59/60/1024375960.db2.gz DBTKPHJPNLVQDM-INIZCTEOSA-N 0 0 357.498 2.607 20 10 FFCDRN C[C@@H](NC(=O)/C=C/c1cncc(O)c1)c1ccc(N2CCOCC2)cc1 ZINC000779658908 1024379315 /nfs/dbraw/zinc/37/93/15/1024379315.db2.gz CGRHAGYNGZSQQI-MCFICARUSA-N 0 0 353.422 2.514 20 10 FFCDRN C[C@@H]1CC[C@H](CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000759157786 1024496757 /nfs/dbraw/zinc/49/67/57/1024496757.db2.gz UHICWXAOKQVXDL-BPQIPLTHSA-N 0 0 357.498 2.831 20 10 FFCDRN COc1cc(N2CCN(C(=O)CCC(C)(F)F)CC2)cc(OC)c1OC ZINC000759221948 1024524417 /nfs/dbraw/zinc/52/44/17/1024524417.db2.gz VGTBOLNGVCIYPN-UHFFFAOYSA-N 0 0 372.412 2.796 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)CCC3)cc1 ZINC000080271915 1024526473 /nfs/dbraw/zinc/52/64/73/1024526473.db2.gz WDTDFIVAZPBSOQ-UHFFFAOYSA-N 0 0 351.450 2.838 20 10 FFCDRN O=C(Cn1ccc2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000080361058 1024562946 /nfs/dbraw/zinc/56/29/46/1024562946.db2.gz IMFSDSXCFANKLZ-UHFFFAOYSA-N 0 0 367.424 2.933 20 10 FFCDRN CSc1cccc(-n2c(C)cc(C(=O)CN(C)[C@H]3CCNC3=O)c2C)c1 ZINC000759426489 1024605369 /nfs/dbraw/zinc/60/53/69/1024605369.db2.gz UALPMIWBFSELSU-SFHVURJKSA-N 0 0 371.506 2.819 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000193743798 1024651359 /nfs/dbraw/zinc/65/13/59/1024651359.db2.gz CCGTWEIMZNEEAR-QGZVFWFLSA-N 0 0 369.465 2.791 20 10 FFCDRN C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N1CCc2sccc2C1 ZINC000759578093 1024670763 /nfs/dbraw/zinc/67/07/63/1024670763.db2.gz FWFWYJLYOIAUCI-FHMRSRPSSA-N 0 0 373.430 2.689 20 10 FFCDRN COC(=O)[C@H](Cc1ccc(F)cc1)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759587494 1024676551 /nfs/dbraw/zinc/67/65/51/1024676551.db2.gz AASVMIRUKYLDMT-MPNRVQBSSA-N 0 0 360.337 2.578 20 10 FFCDRN C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000759596011 1024679809 /nfs/dbraw/zinc/67/98/09/1024679809.db2.gz SYLAPWOYZKVYFX-CHBFFISISA-N 0 0 361.438 2.984 20 10 FFCDRN COc1ccc(C(=O)[C@@H](C)OC(=O)C=Cc2ccc(O)c(O)c2)cc1OC ZINC000759595281 1024679930 /nfs/dbraw/zinc/67/99/30/1024679930.db2.gz JSZQQIMPOAYIGX-BIPYJSMBSA-N 0 0 372.373 2.943 20 10 FFCDRN COc1cccc(CNC(=O)c2cccc(OCc3noc(C)n3)c2)c1O ZINC000759608495 1024683895 /nfs/dbraw/zinc/68/38/95/1024683895.db2.gz MBELZWOFRFEVFK-UHFFFAOYSA-N 0 0 369.377 2.601 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](OC2CCOCC2)c2ccccc2)c1O ZINC000759607886 1024684330 /nfs/dbraw/zinc/68/43/30/1024684330.db2.gz INEWAFJXUDITFO-HXUWFJFHSA-N 0 0 371.433 2.954 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccn(CC(F)F)n3)CC2)cc1 ZINC000193873384 1024709409 /nfs/dbraw/zinc/70/94/09/1024709409.db2.gz DIAWIJXJOQQUEH-UHFFFAOYSA-N 0 0 364.396 2.509 20 10 FFCDRN O=C(Nc1cccnc1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000193904323 1024712793 /nfs/dbraw/zinc/71/27/93/1024712793.db2.gz HQHFFHNXUZQJBW-UHFFFAOYSA-N 0 0 351.362 2.548 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000194010868 1024729650 /nfs/dbraw/zinc/72/96/50/1024729650.db2.gz GTMWMDCMYPQOLR-UHFFFAOYSA-N 0 0 368.462 2.959 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000195535678 1025030917 /nfs/dbraw/zinc/03/09/17/1025030917.db2.gz VZONHJXAQHUYFD-ABSDTBQOSA-N 0 0 359.514 2.758 20 10 FFCDRN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H](O)CN1CCOCC1 ZINC000245830099 1025551469 /nfs/dbraw/zinc/55/14/69/1025551469.db2.gz BNJKVBNPAULXAP-NQIIRXRSSA-N 0 0 370.493 2.649 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](NC(=O)N(C)C)C2)cc1 ZINC000837132557 1025603772 /nfs/dbraw/zinc/60/37/72/1025603772.db2.gz GSJBJMUFZPVFON-SFHVURJKSA-N 0 0 368.481 2.970 20 10 FFCDRN Nc1ccc(CNC(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)cc1 ZINC000837303352 1025712296 /nfs/dbraw/zinc/71/22/96/1025712296.db2.gz IMMAZAJSGKZPEL-FLIBITNWSA-N 0 0 363.461 2.837 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1[nH]ccc1C1CC1 ZINC000837445060 1025812382 /nfs/dbraw/zinc/81/23/82/1025812382.db2.gz FIJDSFRNXYBFCM-UHFFFAOYSA-N 0 0 357.429 2.922 20 10 FFCDRN C[C@H](Cc1cnn(C)c1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000837491651 1025849427 /nfs/dbraw/zinc/84/94/27/1025849427.db2.gz PUQMZXBHCXXWEH-QAPCUYQASA-N 0 0 357.454 2.512 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C(N)=O)c2ccccn2)c(C)n1-c1ccccc1C ZINC001141343238 1025963214 /nfs/dbraw/zinc/96/32/14/1025963214.db2.gz MVVUSMQANZGQAT-IBGZPJMESA-N 0 0 362.433 2.754 20 10 FFCDRN O=C(CC[C@@H]1CCCCO1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837705830 1025974166 /nfs/dbraw/zinc/97/41/66/1025974166.db2.gz AMWDHKNJORALSV-HNNXBMFYSA-N 0 0 368.424 2.767 20 10 FFCDRN CCc1cnccc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709481 1025975312 /nfs/dbraw/zinc/97/53/12/1025975312.db2.gz XKWRDDSBUAAGPV-UHFFFAOYSA-N 0 0 361.392 2.689 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](CC(N)=O)c2ccccc2)cc1 ZINC000837727190 1025988894 /nfs/dbraw/zinc/98/88/94/1025988894.db2.gz XTHIYPVTRPECSJ-IBGZPJMESA-N 0 0 368.481 2.949 20 10 FFCDRN Cc1cc(C(=O)N[C@H](CO)c2ccnn2C)c(C)n1-c1cccc(C)c1 ZINC000838061564 1026187855 /nfs/dbraw/zinc/18/78/55/1026187855.db2.gz YJJHGHWARDKNKR-GOSISDBHSA-N 0 0 352.438 2.599 20 10 FFCDRN Cn1cc([C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2(C)C)cn1 ZINC001141429467 1026284299 /nfs/dbraw/zinc/28/42/99/1026284299.db2.gz PTFZCVUXWYRLBS-OAHLLOKOSA-N 0 0 354.414 2.848 20 10 FFCDRN CCC[C@@H]1C[C@H]1C(=O)N(C)C1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000955250993 1026320253 /nfs/dbraw/zinc/32/02/53/1026320253.db2.gz OCLKCARKAWDFMX-CZUORRHYSA-N 0 0 371.441 2.568 20 10 FFCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(N2CCCOC2=O)cc1 ZINC001141461125 1026348397 /nfs/dbraw/zinc/34/83/97/1026348397.db2.gz OXDTVZACACLSMK-CYBMUJFWSA-N 0 0 370.405 2.864 20 10 FFCDRN CC[C@@H](CNC(=O)NCc1cc(OC)ccc1O)NC(=O)OC(C)(C)C ZINC000838474128 1026377654 /nfs/dbraw/zinc/37/76/54/1026377654.db2.gz FZDVVHZZIOXEOZ-ZDUSSCGKSA-N 0 0 367.446 2.503 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)C[C@H](O)Cc1ccccc1 ZINC000838478810 1026381583 /nfs/dbraw/zinc/38/15/83/1026381583.db2.gz LYJDDLYMEBFVNW-HXUWFJFHSA-N 0 0 355.482 2.806 20 10 FFCDRN C[C@@H](NC(=O)N[C@H](CC(N)=O)c1ccccc1)c1ccc(N(C)C)cc1 ZINC000838558007 1026412770 /nfs/dbraw/zinc/41/27/70/1026412770.db2.gz BKFFKBUBBIWPRN-RDTXWAMCSA-N 0 0 354.454 2.730 20 10 FFCDRN C[C@@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@@H]1F ZINC000838739818 1026487886 /nfs/dbraw/zinc/48/78/86/1026487886.db2.gz PQKIJXFDTNRQMI-WBMJQRKESA-N 0 0 371.403 2.691 20 10 FFCDRN C[C@@H]1C[C@@H](C)CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838744229 1026489417 /nfs/dbraw/zinc/48/94/17/1026489417.db2.gz JPWKKVQMMOYYAZ-ZIAGYGMSSA-N 0 0 367.440 2.989 20 10 FFCDRN Fc1cc(CNCc2cn3ccccc3n2)cc(F)c1N1CCOCC1 ZINC000839146562 1026605698 /nfs/dbraw/zinc/60/56/98/1026605698.db2.gz MCGBTOQFBVBNMX-UHFFFAOYSA-N 0 0 358.392 2.739 20 10 FFCDRN Cc1cc(C(=O)CN2C[C@H](CO)[C@H](O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000839171253 1026610785 /nfs/dbraw/zinc/61/07/85/1026610785.db2.gz BYOZMEANUPEZPS-WIYYLYMNSA-N 0 0 370.493 2.685 20 10 FFCDRN C[C@@H]1CCN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CC12CCC2 ZINC000839219726 1026623932 /nfs/dbraw/zinc/62/39/32/1026623932.db2.gz QNGCNGXCEKCLIV-MRXNPFEDSA-N 0 0 357.498 2.750 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1ccc(F)cc1 ZINC000839275565 1026638708 /nfs/dbraw/zinc/63/87/08/1026638708.db2.gz WNRBFFREKQAZOK-UHFFFAOYSA-N 0 0 358.413 2.929 20 10 FFCDRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839302323 1026643475 /nfs/dbraw/zinc/64/34/75/1026643475.db2.gz LJFIPHPDYVJMFA-AYBZRNKSSA-N 0 0 357.498 2.891 20 10 FFCDRN C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]2CCCC[C@@H]12 ZINC000839311376 1026645227 /nfs/dbraw/zinc/64/52/27/1026645227.db2.gz DMSMYLZIWXVQFW-MNEFBYGVSA-N 0 0 357.498 2.748 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@H]3c3cccc(O)c3)CC2)cc1 ZINC000839459948 1026684919 /nfs/dbraw/zinc/68/49/19/1026684919.db2.gz WDLZAMDUSIZDGN-VQTJNVASSA-N 0 0 352.434 2.853 20 10 FFCDRN CC[C@@H](C)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000839485562 1026697028 /nfs/dbraw/zinc/69/70/28/1026697028.db2.gz UNPPTOWSPLYDGT-IAQYHMDHSA-N 0 0 373.419 2.770 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc4cnccc4n3)CC2)cc1 ZINC000839555723 1026730632 /nfs/dbraw/zinc/73/06/32/1026730632.db2.gz GEHVYHMKRUXAKE-UHFFFAOYSA-N 0 0 362.433 2.991 20 10 FFCDRN Cc1cc(C(=O)N[C@H](CO)[C@H]2CCCOC2)c(C)n1-c1ccc(F)cc1 ZINC000839852267 1026848367 /nfs/dbraw/zinc/84/83/67/1026848367.db2.gz DRFFXZNZRZKSOG-HNAYVOBHSA-N 0 0 360.429 2.751 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CN1CCCCCCC1=O ZINC000839915954 1026865300 /nfs/dbraw/zinc/86/53/00/1026865300.db2.gz NGWYEWFZVLRYKU-QGZVFWFLSA-N 0 0 359.514 2.901 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CN(C)C(=O)OC(C)(C)C ZINC000839917140 1026865521 /nfs/dbraw/zinc/86/55/21/1026865521.db2.gz AGBLKKHMEAKNSF-HNNXBMFYSA-N 0 0 363.502 2.975 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CCC(=O)NC1CCCC1 ZINC000839920188 1026866007 /nfs/dbraw/zinc/86/60/07/1026866007.db2.gz MYXQSYGQUPPIFD-INIZCTEOSA-N 0 0 359.514 2.947 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc2n[nH]nc2cc1F ZINC000839920691 1026866181 /nfs/dbraw/zinc/86/61/81/1026866181.db2.gz SHWJAHNXLWYVJS-GFCCVEGCSA-N 0 0 355.417 2.832 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CO[C@H](C)c1nccn1C ZINC000839922071 1026867279 /nfs/dbraw/zinc/86/72/79/1026867279.db2.gz QXERYLRPIPYSTK-JKSUJKDBSA-N 0 0 358.486 2.620 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CO[C@@H](C)c1nccn1C ZINC000839922066 1026867287 /nfs/dbraw/zinc/86/72/87/1026867287.db2.gz QXERYLRPIPYSTK-CVEARBPZSA-N 0 0 358.486 2.620 20 10 FFCDRN CC[C@@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(C)C ZINC000840282644 1027032319 /nfs/dbraw/zinc/03/23/19/1027032319.db2.gz CKABFFIMTKCFSA-RTBURBONSA-N 0 0 363.502 2.759 20 10 FFCDRN CC(=O)NC1CCC(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840283527 1027033199 /nfs/dbraw/zinc/03/31/99/1027033199.db2.gz CZYZTSHWRQLWSS-MNNVXMFVSA-N 0 0 374.529 2.739 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](CO)Cc1ccccc1 ZINC000840478646 1027087786 /nfs/dbraw/zinc/08/77/86/1027087786.db2.gz AAFXLIXZGYIPTL-FXAWDEMLSA-N 0 0 369.509 2.895 20 10 FFCDRN COC(=O)[C@@]1(C)CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840478784 1027088149 /nfs/dbraw/zinc/08/81/49/1027088149.db2.gz IQOLEWIKSWWBDV-QRWLVFNGSA-N 0 0 361.486 2.587 20 10 FFCDRN CCc1nnc([C@@H](C)NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)[nH]1 ZINC000840481024 1027088914 /nfs/dbraw/zinc/08/89/14/1027088914.db2.gz GDSLJDIZECDFKQ-ZIAGYGMSSA-N 0 0 358.490 2.733 20 10 FFCDRN COc1ncc(/C=C\C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840555382 1027112247 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Cc1ccc(N2C[C@]3(CCN(C(=O)Cc4ccc(N)cc4)C3)CC2=O)s1 ZINC001160094343 1027588072 /nfs/dbraw/zinc/58/80/72/1027588072.db2.gz NYZASUXEDZQWOT-HXUWFJFHSA-N 0 0 369.490 2.837 20 10 FFCDRN Cc1cc(CC(=O)Nc2nnc3[nH]cnn23)c(C)n1-c1ccc(Cl)cc1 ZINC001160382514 1027689487 /nfs/dbraw/zinc/68/94/87/1027689487.db2.gz XFUIUWMBOOWHNA-UHFFFAOYSA-N 0 0 369.816 2.695 20 10 FFCDRN Cn1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)c(Br)n1 ZINC001153872475 1028036455 /nfs/dbraw/zinc/03/64/55/1028036455.db2.gz NXDPCRAXMYJXQC-UHFFFAOYSA-N 0 0 351.164 2.597 20 10 FFCDRN O=C(Cc1ccc(F)c(Br)c1)NCc1cc(O)ccc1O ZINC001153879062 1028042491 /nfs/dbraw/zinc/04/24/91/1028042491.db2.gz CQMYCWOKPWHXBY-UHFFFAOYSA-N 0 0 354.175 2.858 20 10 FFCDRN CC(=O)CCc1ccc(O[C@H](C)C(=O)NCc2cc(O)ccc2O)cc1 ZINC001153879341 1028043783 /nfs/dbraw/zinc/04/37/83/1028043783.db2.gz KVUNZZDWWCKNSM-CQSZACIVSA-N 0 0 357.406 2.703 20 10 FFCDRN CC(C)(C)OC(=O)NCc1cc(C(=O)NCc2cc(O)ccc2O)co1 ZINC001153885385 1028045359 /nfs/dbraw/zinc/04/53/59/1028045359.db2.gz 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/nfs/dbraw/zinc/06/43/51/1030064351.db2.gz JEWYOTVIZZOUIN-UHFFFAOYSA-N 0 0 352.346 2.632 20 10 FFCDRN CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)Cn1cnnn1 ZINC001142137564 1030082630 /nfs/dbraw/zinc/08/26/30/1030082630.db2.gz SOCBMSBWNXMRFT-UHFFFAOYSA-N 0 0 373.460 2.752 20 10 FFCDRN COc1cc(NC(=O)NCCc2ccc(N)cc2)c(OC)c(C)c1OC ZINC000841226932 1030118763 /nfs/dbraw/zinc/11/87/63/1030118763.db2.gz VZWRBHCBYDFADV-UHFFFAOYSA-N 0 0 359.426 2.967 20 10 FFCDRN Nc1ccc(NC(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1 ZINC000841301884 1030171904 /nfs/dbraw/zinc/17/19/04/1030171904.db2.gz HJJOAQDWJQLZAA-GOSISDBHSA-N 0 0 358.417 2.603 20 10 FFCDRN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Nc2ccc(N)cc2)cc1 ZINC000841301864 1030172045 /nfs/dbraw/zinc/17/20/45/1030172045.db2.gz GLNWWXAHZFXUQZ-LJQANCHMSA-N 0 0 354.454 2.772 20 10 FFCDRN Nc1ccc(NC(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000841302414 1030172418 /nfs/dbraw/zinc/17/24/18/1030172418.db2.gz WBIOOEAMHCBFIC-UHFFFAOYSA-N 0 0 356.401 2.788 20 10 FFCDRN 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COC(=O)c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])C(=O)N2 ZINC001462605813 1061688403 /nfs/dbraw/zinc/68/84/03/1061688403.db2.gz COCYPLBJCWZYPG-MRXNPFEDSA-N 0 0 374.824 2.875 20 10 FFCDRN Cc1cc(Cn2c(C3SC=CC3=O)nnc2N2CCC(F)(F)C2)no1 ZINC001528333806 1061864799 /nfs/dbraw/zinc/86/47/99/1061864799.db2.gz XWEYIMCPDHECID-UHFFFAOYSA-N 0 0 367.381 2.902 20 10 FFCDRN C[C@@]1(C(F)(F)F)CN(C(=O)NCCCSc2nccs2)CCO1 ZINC001478181961 1061934762 /nfs/dbraw/zinc/93/47/62/1061934762.db2.gz JOWWISJZWRSTAG-LBPRGKRZSA-N 0 0 369.434 2.988 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@]1(C)C(=O)NCc1cccc(O)c1O ZINC001528770570 1062039209 /nfs/dbraw/zinc/03/92/09/1062039209.db2.gz ACYPFQITDKTOOM-SFHVURJKSA-N 0 0 350.415 2.504 20 10 FFCDRN COc1ccccc1[C@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774825319 1062088994 /nfs/dbraw/zinc/08/89/94/1062088994.db2.gz CGKIEUHGCPXPKK-CABCVRRESA-N 0 0 369.465 2.816 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](CO)CCC(C)C)C2)cc1 ZINC001478861061 1062131868 /nfs/dbraw/zinc/13/18/68/1062131868.db2.gz VSSZYCNWJOSXPN-DLBZAZTESA-N 0 0 363.502 2.618 20 10 FFCDRN COC(=O)Cc1occc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001523553135 1062517394 /nfs/dbraw/zinc/51/73/94/1062517394.db2.gz GKZIQLITMGTUOG-UHFFFAOYSA-N 0 0 356.422 2.868 20 10 FFCDRN Cc1ccccc1C1(CNC(=O)Cc2ccc(O)c(O)c2)CCOCC1 ZINC001464438460 1062611441 /nfs/dbraw/zinc/61/14/41/1062611441.db2.gz QEFXXUMFWKHWNP-UHFFFAOYSA-N 0 0 355.434 2.813 20 10 FFCDRN CCOC(=O)CN(C)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001530680108 1062614495 /nfs/dbraw/zinc/61/44/95/1062614495.db2.gz JRUBDWZSEJNKDZ-UHFFFAOYSA-N 0 0 358.438 2.550 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1coc2c1C(=O)NCC(C)(C)C2 ZINC001530833491 1062644097 /nfs/dbraw/zinc/64/40/97/1062644097.db2.gz MYEGSCNRNVCMOM-UHFFFAOYSA-N 0 0 369.465 2.896 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc(CNC(C)=O)c2)cc1 ZINC001530907981 1062658950 /nfs/dbraw/zinc/65/89/50/1062658950.db2.gz VPVBGEHEGARVRU-UHFFFAOYSA-N 0 0 369.465 2.540 20 10 FFCDRN CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(Cl)c2O)c(F)c1 ZINC001464792094 1062826774 /nfs/dbraw/zinc/82/67/74/1062826774.db2.gz OLCBMIVGXPJGGJ-UHFFFAOYSA-N 0 0 372.805 2.622 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccc(-n4cccn4)c3)C2)cc1 ZINC001437581470 1062884656 /nfs/dbraw/zinc/88/46/56/1062884656.db2.gz URJXHRIVABSPGN-QGZVFWFLSA-N 0 0 362.433 2.890 20 10 FFCDRN CCCOc1ccnc(CC(=O)NCCCSc2nccs2)n1 ZINC001464897723 1062899233 /nfs/dbraw/zinc/89/92/33/1062899233.db2.gz BJSCKJMXDVHCNG-UHFFFAOYSA-N 0 0 352.485 2.563 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(Cl)no1 ZINC001546151845 1062978573 /nfs/dbraw/zinc/97/85/73/1062978573.db2.gz JAPHTWHHOUNXOS-UHFFFAOYSA-N 0 0 359.165 2.502 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[C@H]1CC[C@@H](C)O1 ZINC001546151945 1062978877 /nfs/dbraw/zinc/97/88/77/1062978877.db2.gz MPNKPLOUBOWYNL-IUODEOHRSA-N 0 0 369.845 2.895 20 10 FFCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N(C)CCNC(=O)C(C)C ZINC001525024200 1063102293 /nfs/dbraw/zinc/10/22/93/1063102293.db2.gz DXRIULYYCAXSFI-UHFFFAOYSA-N 0 0 365.503 2.577 20 10 FFCDRN COc1ncc(/C=C\C(=O)N(Cc2cnn(C)c2)c2ccc(C)cc2)cn1 ZINC001439219945 1063116602 /nfs/dbraw/zinc/11/66/02/1063116602.db2.gz QUXFSWJSCASMFG-TWGQIWQCSA-N 0 0 363.421 2.774 20 10 FFCDRN C[C@H]1C[C@H]1Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1ccccc1O ZINC001493357804 1063140685 /nfs/dbraw/zinc/14/06/85/1063140685.db2.gz UBGJNHAMLFZOLX-ZFWWWQNUSA-N 0 0 352.442 2.677 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1nscc1I ZINC001465843011 1063232400 /nfs/dbraw/zinc/23/24/00/1063232400.db2.gz MRQFOCPBMFMKJA-UHFFFAOYSA-N 0 0 374.203 2.726 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cc2nccc(C(F)(F)F)n2n1 ZINC001465844240 1063234652 /nfs/dbraw/zinc/23/46/52/1063234652.db2.gz KATJUXWIHZHMPC-UHFFFAOYSA-N 0 0 350.300 2.726 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3ccc(O)c(Cl)c3)CC2)cc1 ZINC001465889591 1063248708 /nfs/dbraw/zinc/24/87/08/1063248708.db2.gz HDGUKWNYYFGAKH-UHFFFAOYSA-N 0 0 360.841 2.946 20 10 FFCDRN CCOC(=O)[C@@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C ZINC001466290446 1063383893 /nfs/dbraw/zinc/38/38/93/1063383893.db2.gz XKBLXTIJRLTFRG-FUHWJXTLSA-N 0 0 363.454 2.735 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@@H]3Cc4cc(F)ccc4NC3=O)ccc21 ZINC001442386004 1063529142 /nfs/dbraw/zinc/52/91/42/1063529142.db2.gz FENMBVAWZPYFTF-KRWDZBQOSA-N 0 0 367.424 2.635 20 10 FFCDRN COc1ccc(CNC(=O)CCC(=O)c2cccc([N+](=O)[O-])c2)c(O)c1 ZINC001467471462 1063755955 /nfs/dbraw/zinc/75/59/55/1063755955.db2.gz FCDIFFYBQZIPNR-UHFFFAOYSA-N 0 0 358.350 2.588 20 10 FFCDRN CCOC(=O)[C@@H](C(=O)NCc1cccc(Br)c1O)C(C)C ZINC001467764034 1063844318 /nfs/dbraw/zinc/84/43/18/1063844318.db2.gz NIMBLKREPCLRKD-GFCCVEGCSA-N 0 0 358.232 2.606 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2cnn(CC3CCC3)c2)cc1F ZINC001468355043 1063971886 /nfs/dbraw/zinc/97/18/86/1063971886.db2.gz XBIBQSJQWXPMPI-UHFFFAOYSA-N 0 0 359.449 2.888 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)c(O)c1O ZINC001469227825 1064113073 /nfs/dbraw/zinc/11/30/73/1064113073.db2.gz PGDGWNATYGQXHU-ZIAGYGMSSA-N 0 0 364.442 2.972 20 10 FFCDRN Cc1ncc(Br)c(C(=O)NCc2ccc3cccnc3c2O)n1 ZINC001469251520 1064117660 /nfs/dbraw/zinc/11/76/60/1064117660.db2.gz XVLAJYZFVDDTNB-UHFFFAOYSA-N 0 0 373.210 2.731 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3n[nH]c4c3C[C@H](C)CC4)C2)cc1 ZINC001469282328 1064121026 /nfs/dbraw/zinc/12/10/26/1064121026.db2.gz QANCPUATJHWMHL-CABCVRRESA-N 0 0 368.481 2.799 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC001469873862 1064221702 /nfs/dbraw/zinc/22/17/02/1064221702.db2.gz GKMWEOWOFJYDCS-UHFFFAOYSA-N 0 0 373.771 2.661 20 10 FFCDRN O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCc1cc(Cl)ccc1O ZINC001469876514 1064222632 /nfs/dbraw/zinc/22/26/32/1064222632.db2.gz GVUKOMSNEKIORE-WAYWQWQTSA-N 0 0 370.796 2.733 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1cc(O)ccc1O)C(C)(C)C ZINC001471661589 1064751466 /nfs/dbraw/zinc/75/14/66/1064751466.db2.gz UPUNGJYGESVHAY-CQSZACIVSA-N 0 0 352.431 2.653 20 10 FFCDRN COC(=O)c1cccc2c1CCN2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001472076350 1064920453 /nfs/dbraw/zinc/92/04/53/1064920453.db2.gz KFKACVQDZPVXOG-UHFFFAOYSA-N 0 0 352.350 2.839 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC[C@@](OC)(C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC001472864656 1065161870 /nfs/dbraw/zinc/16/18/70/1065161870.db2.gz SJKQRKLUMXGFOK-DRDHIDPGSA-N 0 0 374.315 2.939 20 10 FFCDRN C[C@@H]1CN=C(N2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)S1 ZINC001474312876 1065491524 /nfs/dbraw/zinc/49/15/24/1065491524.db2.gz QYGXLUTXCANXRN-GFCCVEGCSA-N 0 0 354.470 2.640 20 10 FFCDRN [O-]c1c(CN2CC[NH+](CCCOCC(F)(F)F)CC2)ccc(F)c1F ZINC001474382200 1065508094 /nfs/dbraw/zinc/50/80/94/1065508094.db2.gz GBLFSILADDTAIS-UHFFFAOYSA-N 0 0 368.346 2.757 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2cc(-c3ccccn3)n[nH]2)cc1 ZINC001474438774 1065522058 /nfs/dbraw/zinc/52/20/58/1065522058.db2.gz YTUUMEUQHQKLKK-UHFFFAOYSA-N 0 0 352.394 2.660 20 10 FFCDRN CC1(C)CCC[C@H](CS(=O)(=O)NCCCSc2nccs2)O1 ZINC001474938944 1065651867 /nfs/dbraw/zinc/65/18/67/1065651867.db2.gz BLOKOYIRCOJMQX-GFCCVEGCSA-N 0 0 364.558 2.892 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H](Cc2cn[nH]n2)c2ccccc2)cc1 ZINC001577730043 1078391979 /nfs/dbraw/zinc/39/19/79/1078391979.db2.gz ATQVXTWLOCXKJW-INIZCTEOSA-N 0 0 363.381 2.681 20 10 FFCDRN CN(C)c1ccc([C@@H]([NH3+])CNC(=O)c2ccc3[n-]c(=S)oc3c2)cc1 ZINC001578424652 1078472861 /nfs/dbraw/zinc/47/28/61/1078472861.db2.gz QGLGPBIBVFJCSF-AWEZNQCLSA-N 0 0 356.451 2.612 20 10 FFCDRN Nc1ccc(NC(=O)N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC001580448211 1078806973 /nfs/dbraw/zinc/80/69/73/1078806973.db2.gz YLRHZOHLFVFRTC-KRWDZBQOSA-N 0 0 356.470 2.915 20 10 FFCDRN Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc(-c2nn[nH]n2)c1 ZINC001580984936 1078903438 /nfs/dbraw/zinc/90/34/38/1078903438.db2.gz FGIRCOVEHPFKIX-UHFFFAOYSA-N 0 0 350.342 2.590 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(F)c(S(C)(=O)=O)c1 ZINC001562812316 1073639529 /nfs/dbraw/zinc/63/95/29/1073639529.db2.gz PIUORSVSZYYNLK-UHFFFAOYSA-N 0 0 352.387 2.599 20 10 FFCDRN Cc1nn(C)c(NC(=O)NCc2c(O)cccc2F)c1Br ZINC001562856523 1074012891 /nfs/dbraw/zinc/01/28/91/1074012891.db2.gz YSXKBMFCDWDIMQ-UHFFFAOYSA-N 0 0 357.183 2.657 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2[nH]nc(C(F)(F)F)c2C)cc1 ZINC001583621533 1079242165 /nfs/dbraw/zinc/24/21/65/1079242165.db2.gz ISTXLMRHSAKXQW-UHFFFAOYSA-N 0 0 370.375 2.954 20 10 FFCDRN Cc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCC2)c(O)c1O ZINC001584073331 1079302932 /nfs/dbraw/zinc/30/29/32/1079302932.db2.gz UUVDLFQZOLXXLG-UHFFFAOYSA-N 0 0 364.442 2.974 20 10 FFCDRN Cc1cc(CC(=O)NCCN2C[C@H](C)OC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001584192132 1079319043 /nfs/dbraw/zinc/31/90/43/1079319043.db2.gz XATRVZSDGMBHEE-ROUUACIJSA-N 0 0 369.509 2.862 20 10 FFCDRN Cc1cc(CCNC(=O)Nc2cc(=O)n(C)cn2)c(C)n1-c1ccccc1 ZINC001562979839 1074844723 /nfs/dbraw/zinc/84/47/23/1074844723.db2.gz JEZSYIURRCGJMF-UHFFFAOYSA-N 0 0 365.437 2.552 20 10 FFCDRN CS(=O)(=O)c1cccc2c1N(C(=O)/C=C\c1cncc(F)c1)CCC2 ZINC001584515467 1079360523 /nfs/dbraw/zinc/36/05/23/1079360523.db2.gz RRPPRDASONTMBZ-FPLPWBNLSA-N 0 0 360.410 2.617 20 10 FFCDRN CN1CCc2cc(NC(=O)NCc3cc(Cl)ccc3O)ccc2C1=O ZINC001563038989 1075244393 /nfs/dbraw/zinc/24/43/93/1075244393.db2.gz FQBHHZYBPLMWJY-UHFFFAOYSA-N 0 0 359.813 2.995 20 10 FFCDRN CCOC(=O)CN(CC)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001585144501 1079430908 /nfs/dbraw/zinc/43/09/08/1079430908.db2.gz QIFLIOQQJDZPPK-UHFFFAOYSA-N 0 0 370.449 2.861 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C[C@H]1CCSC1 ZINC001554174741 1075609065 /nfs/dbraw/zinc/60/90/65/1075609065.db2.gz BIWYMVYDXNEWCB-ZBFHGGJFSA-N 0 0 374.510 2.877 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2CCCC2)n1C[C@H]1COCCO1 ZINC001554175688 1075609221 /nfs/dbraw/zinc/60/92/21/1075609221.db2.gz SKQPXNQFEIUZTK-KRWDZBQOSA-N 0 0 372.469 2.693 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)Cc1cccc(F)c1[N+](=O)[O-] ZINC001556516017 1075748987 /nfs/dbraw/zinc/74/89/87/1075748987.db2.gz WMGXPINDZDWKEH-UHFFFAOYSA-N 0 0 353.346 2.784 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1N ZINC001557063349 1075803934 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/nfs/dbraw/zinc/36/13/38/510361338.db2.gz JOJRTYRQTIBRPJ-UHFFFAOYSA-N 0 0 357.414 2.972 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000184686104 510463736 /nfs/dbraw/zinc/46/37/36/510463736.db2.gz IKWVBEHOGCPIIO-RYUDHWBXSA-N 0 0 351.324 2.978 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@H](C)Oc3cccnc3)CC2)cc1 ZINC000172059093 510521699 /nfs/dbraw/zinc/52/16/99/510521699.db2.gz JQJCCGFMOMMWAF-INIZCTEOSA-N 0 0 355.438 2.596 20 10 FFCDRN C[C@H]1CN(S(=O)(=O)c2cccc3nsnc32)c2cccc(F)c2O1 ZINC000194807267 510537299 /nfs/dbraw/zinc/53/72/99/510537299.db2.gz BSBVBEBXIQWRNV-VIFPVBQESA-N 0 0 365.411 2.807 20 10 FFCDRN COc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc(OC)c1OC ZINC000266375195 510548863 /nfs/dbraw/zinc/54/88/63/510548863.db2.gz VQWXLZWXSPQDSN-UHFFFAOYSA-N 0 0 372.421 2.818 20 10 FFCDRN CN(Cc1ncc(Cl)n1C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000181730996 510564241 /nfs/dbraw/zinc/56/42/41/510564241.db2.gz VFIUEZWNVSHGJS-VMPITWQZSA-N 0 0 374.872 2.582 20 10 FFCDRN COc1cc(N(C)Cc2cc(-c3cnn(C)c3)no2)cc(OC)c1OC ZINC000185010230 510633915 /nfs/dbraw/zinc/63/39/15/510633915.db2.gz ZIRXKJUJLHANSC-UHFFFAOYSA-N 0 0 358.398 2.737 20 10 FFCDRN COc1cc(Cl)cc(CNc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000185205568 510746740 /nfs/dbraw/zinc/74/67/40/510746740.db2.gz XVRRDSUODCBOJV-UHFFFAOYSA-N 0 0 370.858 2.917 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175778086 510785977 /nfs/dbraw/zinc/78/59/77/510785977.db2.gz FRBCNRRQFFBBIB-INIZCTEOSA-N 0 0 360.479 2.628 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1cccc(N2CCOC2=O)c1 ZINC000263697265 510796157 /nfs/dbraw/zinc/79/61/57/510796157.db2.gz HSGWTTAIWYONSZ-CYBMUJFWSA-N 0 0 355.394 2.909 20 10 FFCDRN Cc1ccnc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000297298240 510892647 /nfs/dbraw/zinc/89/26/47/510892647.db2.gz HKYDDJRMOBUDEG-SFHVURJKSA-N 0 0 355.438 2.986 20 10 FFCDRN CN(Cc1nc[nH]n1)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000297332149 510906541 /nfs/dbraw/zinc/90/65/41/510906541.db2.gz SURGWEHMWFHSTP-UHFFFAOYSA-N 0 0 356.474 2.915 20 10 FFCDRN CN(CCOCCO)C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000282284138 510914632 /nfs/dbraw/zinc/91/46/32/510914632.db2.gz YJZRFBJLPKNNPL-QURGRASLSA-N 0 0 370.409 2.508 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(=O)OC)cc1 ZINC000275830385 510918731 /nfs/dbraw/zinc/91/87/31/510918731.db2.gz FSJZDAASTXUAEV-UHFFFAOYSA-N 0 0 370.405 2.556 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ccnc(C4CC4)n3)cc2)CC1 ZINC000276313098 510931435 /nfs/dbraw/zinc/93/14/35/510931435.db2.gz NMWGNTLOYSGYGI-UHFFFAOYSA-N 0 0 351.454 2.635 20 10 FFCDRN CCC1(CC)Oc2ccc(NC(=O)C(=O)NCc3ccccc3O)cc2O1 ZINC000276457124 510939265 /nfs/dbraw/zinc/93/92/65/510939265.db2.gz XBUWSHCFODFQTP-UHFFFAOYSA-N 0 0 370.405 2.935 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000276603072 510942586 /nfs/dbraw/zinc/94/25/86/510942586.db2.gz YPNDRJJBULPNQV-GFCCVEGCSA-N 0 0 369.421 2.743 20 10 FFCDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC000276573095 510942641 /nfs/dbraw/zinc/94/26/41/510942641.db2.gz KSKJRUIVFFJTSR-LLVKDONJSA-N 0 0 360.385 2.695 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000276609892 510943158 /nfs/dbraw/zinc/94/31/58/510943158.db2.gz ZYEZSLXQBHAQMA-CYBMUJFWSA-N 0 0 369.421 2.977 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCOc1ccccc1 ZINC000276575651 510943194 /nfs/dbraw/zinc/94/31/94/510943194.db2.gz JDXNOASIQNPGGS-UHFFFAOYSA-N 0 0 369.465 2.744 20 10 FFCDRN Cc1c([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cnn1C ZINC000277257409 510958480 /nfs/dbraw/zinc/95/84/80/510958480.db2.gz ILICNORUBBLQST-NSHDSACASA-N 0 0 362.817 2.613 20 10 FFCDRN Fc1cc(CNc2cc(N3CCCC3)ncn2)ccc1N1CCOCC1 ZINC000277425915 510963302 /nfs/dbraw/zinc/96/33/02/510963302.db2.gz LMPPIUQCAYCRGV-UHFFFAOYSA-N 0 0 357.433 2.665 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[S@@](=O)C[C@@H](C)C1 ZINC000277535613 510965651 /nfs/dbraw/zinc/96/56/51/510965651.db2.gz LTZUMZMJKUFSQV-DAOPMYJZSA-N 0 0 350.509 2.996 20 10 FFCDRN CCc1nnc(C)cc1C(=O)NCc1cccc(Br)c1O ZINC000277556753 510965738 /nfs/dbraw/zinc/96/57/38/510965738.db2.gz OUERXECMCOMZHN-UHFFFAOYSA-N 0 0 350.216 2.746 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2ncnn2C(C)(C)C)cc1 ZINC000282422747 510971344 /nfs/dbraw/zinc/97/13/44/510971344.db2.gz DYTFKYNNGPSLCD-UHFFFAOYSA-N 0 0 358.490 2.879 20 10 FFCDRN C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000270745831 510971337 /nfs/dbraw/zinc/97/13/37/510971337.db2.gz STRGZWMYCARIKU-QRWLVFNGSA-N 0 0 358.482 2.517 20 10 FFCDRN COC1(c2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)CCOCC1 ZINC000277854953 510975141 /nfs/dbraw/zinc/97/51/41/510975141.db2.gz BSFAQOMXHFKMRB-QPJJXVBHSA-N 0 0 371.437 2.729 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(N(C)C(C)=O)cc3)CC2)cc1 ZINC000278157741 510983129 /nfs/dbraw/zinc/98/31/29/510983129.db2.gz BWJWUIZTHCXFKZ-UHFFFAOYSA-N 0 0 367.449 2.640 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn(Cc2ccccn2)nn1 ZINC000282457726 510986125 /nfs/dbraw/zinc/98/61/25/510986125.db2.gz JMAAIWHOIAPZGW-UHFFFAOYSA-N 0 0 365.437 2.870 20 10 FFCDRN CCOC1CC(C[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])(N2CCOCC2)C1 ZINC000278431563 510992436 /nfs/dbraw/zinc/99/24/36/510992436.db2.gz JLXOPSSHPQRJNH-VFPJAPOESA-N 0 0 370.440 2.591 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](C)[C@@H](O)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278508275 510995682 /nfs/dbraw/zinc/99/56/82/510995682.db2.gz PFECGPAMJNOVPZ-MEBBXXQBSA-N 0 0 350.346 2.660 20 10 FFCDRN COc1c(O)c(CNc2ccc(CC(=O)N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000278563478 510998921 /nfs/dbraw/zinc/99/89/21/510998921.db2.gz BQCBWNGVYNJKEO-UHFFFAOYSA-N 0 0 359.382 2.552 20 10 FFCDRN COc1ccccc1O[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278550283 510998988 /nfs/dbraw/zinc/99/89/88/510998988.db2.gz YXTZWCMFEQVJED-LBPRGKRZSA-N 0 0 362.382 2.875 20 10 FFCDRN CC[C@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000285700614 511013609 /nfs/dbraw/zinc/01/36/09/511013609.db2.gz LKALYFWLHONSSC-QGZVFWFLSA-N 0 0 372.444 2.513 20 10 FFCDRN Cc1cc(C(=O)CN(C)Cc2nncn2C)c(C)n1-c1cccc(C)c1 ZINC000286736625 511031579 /nfs/dbraw/zinc/03/15/79/511031579.db2.gz HRYVMIFUSULUAX-UHFFFAOYSA-N 0 0 351.454 2.846 20 10 FFCDRN Cc1cc(C(=O)NCCCC2N=NC(=S)N2C)c(C)n1-c1ccccc1 ZINC000294366870 511041032 /nfs/dbraw/zinc/04/10/32/511041032.db2.gz ZEWKNKRCBNPXRE-UHFFFAOYSA-N 0 0 369.494 2.874 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCn3c(Br)cnc3C2)c1O ZINC000279330260 511047723 /nfs/dbraw/zinc/04/77/23/511047723.db2.gz TWWDZOBEVVNPHE-UHFFFAOYSA-N 0 0 368.206 2.709 20 10 FFCDRN CCOc1ccc(O)c(CN2Cc3c(OC)ccc(OC)c3[C@H](O)C2)c1 ZINC000271034120 511064821 /nfs/dbraw/zinc/06/48/21/511064821.db2.gz JLAUSBKYNWCVJR-QGZVFWFLSA-N 0 0 359.422 2.857 20 10 FFCDRN CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000294439940 511065803 /nfs/dbraw/zinc/06/58/03/511065803.db2.gz XSTYOCLJGGQAQA-UHFFFAOYSA-N 0 0 372.849 2.725 20 10 FFCDRN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3cccc(O)c3O)ccc2NC1=O ZINC000279425129 511078743 /nfs/dbraw/zinc/07/87/43/511078743.db2.gz YRDSEEUDFXUJRJ-BMIGLBTASA-N 0 0 356.378 2.698 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCCN(C(N)=O)C1 ZINC000288598250 511080569 /nfs/dbraw/zinc/08/05/69/511080569.db2.gz MJPWRWJVQNCMHD-KRWDZBQOSA-N 0 0 368.481 2.923 20 10 FFCDRN C[C@@H](O)CCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000279441492 511084399 /nfs/dbraw/zinc/08/43/99/511084399.db2.gz JZTYLFDGCBGNJG-KGLIPLIRSA-N 0 0 371.428 2.717 20 10 FFCDRN CC(=O)C(=O)CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 ZINC000288970210 511090300 /nfs/dbraw/zinc/09/03/00/511090300.db2.gz UJXGTTZGHZWLLA-CQSZACIVSA-N 0 0 363.414 2.513 20 10 FFCDRN CC[C@@H](C)Cc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000289186990 511094725 /nfs/dbraw/zinc/09/47/25/511094725.db2.gz PYZUFFWYESJSKP-OAHLLOKOSA-N 0 0 372.469 2.558 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cnc(C(=O)OC(C)(C)C)cn2)cc1F ZINC000282883911 511148536 /nfs/dbraw/zinc/14/85/36/511148536.db2.gz RNDHUYGBHUQACW-UHFFFAOYSA-N 0 0 374.416 2.567 20 10 FFCDRN Cc1cccc(NC(=O)N2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)c1 ZINC000271319024 511161739 /nfs/dbraw/zinc/16/17/39/511161739.db2.gz WWNYGCVFMUBSBI-UHFFFAOYSA-N 0 0 369.421 2.705 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCc2occc2C1 ZINC000291198805 511162115 /nfs/dbraw/zinc/16/21/15/511162115.db2.gz INOXLHHDHZHKGW-UHFFFAOYSA-N 0 0 355.438 2.774 20 10 FFCDRN CCCc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)no1 ZINC000294830929 511192165 /nfs/dbraw/zinc/19/21/65/511192165.db2.gz LLQCPAMJLLTJGH-UHFFFAOYSA-N 0 0 357.454 2.766 20 10 FFCDRN Cc1cc(Cl)cnc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000291474075 511211745 /nfs/dbraw/zinc/21/17/45/511211745.db2.gz LATZDJVZIMFVAD-UHFFFAOYSA-N 0 0 372.856 2.681 20 10 FFCDRN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1[N+](=O)[O-] ZINC000271681706 511286866 /nfs/dbraw/zinc/28/68/66/511286866.db2.gz CPARYTNVYQOOQL-HNNXBMFYSA-N 0 0 370.453 2.970 20 10 FFCDRN CO[C@@H]1CCC[C@H](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000280022877 511307588 /nfs/dbraw/zinc/30/75/88/511307588.db2.gz VIECFJVFAODWKV-DOTOQJQBSA-N 0 0 364.461 2.874 20 10 FFCDRN COCCCOCC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000271755548 511312165 /nfs/dbraw/zinc/31/21/65/511312165.db2.gz XFDXKNXGVWRLJC-UHFFFAOYSA-N 0 0 360.454 2.928 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCc2ccccc21 ZINC000283310660 511317537 /nfs/dbraw/zinc/31/75/37/511317537.db2.gz BAFZKZCZIMHKMP-HXUWFJFHSA-N 0 0 363.461 2.707 20 10 FFCDRN C[C@H](Nc1cccc(OCC(N)=O)c1)c1ccc(N2CCOCC2)c(F)c1 ZINC000271911836 511369248 /nfs/dbraw/zinc/36/92/48/511369248.db2.gz AVGWNPKBMPADAP-AWEZNQCLSA-N 0 0 373.428 2.700 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc(C2CCC2)cc1 ZINC000280248722 511392339 /nfs/dbraw/zinc/39/23/39/511392339.db2.gz NAWAMUSKZCAOSK-UHFFFAOYSA-N 0 0 354.406 2.663 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCCO1 ZINC000271991068 511393879 /nfs/dbraw/zinc/39/38/79/511393879.db2.gz LWAPPCYUJYEKPQ-VQIMIIECSA-N 0 0 361.486 2.622 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccn(C(C)C)n1 ZINC000283546390 511409801 /nfs/dbraw/zinc/40/98/01/511409801.db2.gz HXMUVWSCORHFHS-UHFFFAOYSA-N 0 0 358.442 2.937 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000280403979 511454092 /nfs/dbraw/zinc/45/40/92/511454092.db2.gz AJOVYMXWWSRHEH-MNOVXSKESA-N 0 0 371.393 2.570 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCc1cn[nH]c1 ZINC000292078382 511456928 /nfs/dbraw/zinc/45/69/28/511456928.db2.gz IZOODVKODNENMB-UHFFFAOYSA-N 0 0 367.247 2.652 20 10 FFCDRN C[C@@H](Sc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1)C(N)=O ZINC000283712905 511472021 /nfs/dbraw/zinc/47/20/21/511472021.db2.gz XBUHKLMEIWMMJM-CQSZACIVSA-N 0 0 371.506 2.991 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(OC(C)C)c(C(N)=O)c2)c1O ZINC000280457527 511473691 /nfs/dbraw/zinc/47/36/91/511473691.db2.gz HQTVHVURMSPQCK-UHFFFAOYSA-N 0 0 373.409 2.609 20 10 FFCDRN CC(C)[C@@H]1NC(=O)N(Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1=O ZINC000272255386 511481545 /nfs/dbraw/zinc/48/15/45/511481545.db2.gz LQMCVSNCNYJZNW-AHIWAGSCSA-N 0 0 363.433 2.516 20 10 FFCDRN C[C@@H]1CCS(=O)(=O)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280492802 511487013 /nfs/dbraw/zinc/48/70/13/511487013.db2.gz FLNPIJDRLHFMSF-GFCCVEGCSA-N 0 0 364.433 2.780 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(N)n2)cc1 ZINC000272354414 511491947 /nfs/dbraw/zinc/49/19/47/511491947.db2.gz REFGYDLVZJMDSQ-QGZVFWFLSA-N 0 0 354.454 2.551 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@H](NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000272527504 511497645 /nfs/dbraw/zinc/49/76/45/511497645.db2.gz ABZNXZATXNLPOL-LBPRGKRZSA-N 0 0 350.415 2.536 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000272534766 511497718 /nfs/dbraw/zinc/49/77/18/511497718.db2.gz BCTAEICOEHKWJL-KRWDZBQOSA-N 0 0 372.513 2.684 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000299060558 511500315 /nfs/dbraw/zinc/50/03/15/511500315.db2.gz ZPHXRPNNJKJNEX-UHFFFAOYSA-N 0 0 369.421 2.516 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000272750537 511506576 /nfs/dbraw/zinc/50/65/76/511506576.db2.gz JWZMDOQISPPXRE-CYBMUJFWSA-N 0 0 364.442 2.735 20 10 FFCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)cc2)c2nonc21 ZINC000299082814 511508559 /nfs/dbraw/zinc/50/85/59/511508559.db2.gz SLFXTXAOWBFMLF-UHFFFAOYSA-N 0 0 355.354 2.580 20 10 FFCDRN CC(C)[C@H]1C[C@@H](CC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000273254644 511520068 /nfs/dbraw/zinc/52/00/68/511520068.db2.gz VHLWGUVOOJJRBU-AZUAARDMSA-N 0 0 360.498 2.981 20 10 FFCDRN Cc1cccc([C@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)c1 ZINC000273227301 511520221 /nfs/dbraw/zinc/52/02/21/511520221.db2.gz LKVZLTKITTUIAP-HNNXBMFYSA-N 0 0 374.462 2.702 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273391077 511524700 /nfs/dbraw/zinc/52/47/00/511524700.db2.gz KREFCONVZLMBOB-GFCCVEGCSA-N 0 0 364.423 2.696 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273424141 511524907 /nfs/dbraw/zinc/52/49/07/511524907.db2.gz SXSSPHRHLVTQAN-LLVKDONJSA-N 0 0 365.411 2.523 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464398 511527888 /nfs/dbraw/zinc/52/78/88/511527888.db2.gz IOVBNAYGSIFJDL-GUYCJALGSA-N 0 0 355.394 2.752 20 10 FFCDRN Cc1ccc(F)cc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000299137039 511528385 /nfs/dbraw/zinc/52/83/85/511528385.db2.gz SAQKKGCRLVZWSA-UHFFFAOYSA-N 0 0 362.426 2.621 20 10 FFCDRN C[C@H]1CC[C@@H](c2nnc(N(C)Cc3ccccc3O)n2C[C@@H]2CCOC2)O1 ZINC000295832171 511530038 /nfs/dbraw/zinc/53/00/38/511530038.db2.gz BBMAUXARUFQYQA-MPGHIAIKSA-N 0 0 372.469 2.897 20 10 FFCDRN C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570669 511537834 /nfs/dbraw/zinc/53/78/34/511537834.db2.gz KQJSBWCDWBCGAU-GUYCJALGSA-N 0 0 357.410 2.651 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C(=O)CC(C)C)CC2)c1 ZINC000273572524 511538133 /nfs/dbraw/zinc/53/81/33/511538133.db2.gz KYNYNAGMYBYRES-CQSZACIVSA-N 0 0 362.470 2.867 20 10 FFCDRN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273593231 511545721 /nfs/dbraw/zinc/54/57/21/511545721.db2.gz PTBPGULYVTXWCM-DHWRWKDMSA-N 0 0 353.484 2.909 20 10 FFCDRN CC[C@H](CO)NC(=O)c1ccc(NCc2cc(OC)c(OC)cc2O)cc1 ZINC000280673867 511558877 /nfs/dbraw/zinc/55/88/77/511558877.db2.gz MLVJNTBKEMLISJ-OAHLLOKOSA-N 0 0 374.437 2.522 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1([S@](C)=O)CCC1 ZINC000280722238 511577103 /nfs/dbraw/zinc/57/71/03/511577103.db2.gz HSOHDFIDZAKMEY-VWLOTQADSA-N 0 0 365.543 2.974 20 10 FFCDRN COc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)cc1C ZINC000280770937 511595414 /nfs/dbraw/zinc/59/54/14/511595414.db2.gz PGJBTLFNHIWMGQ-UHFFFAOYSA-N 0 0 369.465 2.975 20 10 FFCDRN C[C@@H]1CN(c2ccc(NC(=O)NCc3ccccc3O)cn2)C[C@@H](C)O1 ZINC000299467985 511648403 /nfs/dbraw/zinc/64/84/03/511648403.db2.gz CBAKAHQSABJREA-ZIAGYGMSSA-N 0 0 356.426 2.723 20 10 FFCDRN O=C(NCCCCn1cc(Br)cn1)NCc1ccccc1O ZINC000280908023 511649753 /nfs/dbraw/zinc/64/97/53/511649753.db2.gz UELJOKLSVYBEBV-UHFFFAOYSA-N 0 0 367.247 2.631 20 10 FFCDRN Cc1cc(C(=O)N(C)Cc2nncn2C(C)C)c(C)n1-c1ccccn1 ZINC000292591545 511653392 /nfs/dbraw/zinc/65/33/92/511653392.db2.gz QSZCDIKBAACLHX-UHFFFAOYSA-N 0 0 352.442 2.934 20 10 FFCDRN C[C@@H](c1ccccn1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284304948 511676319 /nfs/dbraw/zinc/67/63/19/511676319.db2.gz VJVCKUVWNQFIOB-INIZCTEOSA-N 0 0 366.465 2.518 20 10 FFCDRN COC(=O)[C@H]1CC[C@H](C(=O)NCc2cccc(Br)c2O)CC1 ZINC000280987588 511679378 /nfs/dbraw/zinc/67/93/78/511679378.db2.gz JOFLNVUZQHGOQC-XYPYZODXSA-N 0 0 370.243 2.750 20 10 FFCDRN CC[NH+]1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cn3)cc2F)CC1 ZINC000301160636 511689678 /nfs/dbraw/zinc/68/96/78/511689678.db2.gz AJQHJRVQPLLBGE-UHFFFAOYSA-N 0 0 359.405 2.883 20 10 FFCDRN NS(=O)(=O)c1cccnc1N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 ZINC000301238919 511691692 /nfs/dbraw/zinc/69/16/92/511691692.db2.gz FJXRYPLWPDMJFA-UHFFFAOYSA-N 0 0 372.425 2.643 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000301292548 511693601 /nfs/dbraw/zinc/69/36/01/511693601.db2.gz OCSZXMOLRRDGCG-UHFFFAOYSA-N 0 0 363.439 2.985 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC(O)(C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000301890174 511703681 /nfs/dbraw/zinc/70/36/81/511703681.db2.gz TWCSLJAXTJVDKX-HWKANZROSA-N 0 0 374.315 2.675 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3cnn(C)c3C2)cc1F ZINC000281173275 511746943 /nfs/dbraw/zinc/74/69/43/511746943.db2.gz GZDUFGGSYCQIBN-HNNXBMFYSA-N 0 0 358.461 2.827 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(-c2nc([C@H]3CCC(F)(F)C3)no2)c1 ZINC000281228149 511766799 /nfs/dbraw/zinc/76/67/99/511766799.db2.gz CCMLUSSDIBSNMF-QMMMGPOBSA-N 0 0 359.354 2.717 20 10 FFCDRN Cc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)nnn1C(C)C ZINC000293250115 511895780 /nfs/dbraw/zinc/89/57/80/511895780.db2.gz DKZOLBZMYMZFPM-MRXNPFEDSA-N 0 0 358.442 2.694 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cnn(C)c1C ZINC000293268921 511900849 /nfs/dbraw/zinc/90/08/49/511900849.db2.gz GDBVWRYBQWHSMB-UHFFFAOYSA-N 0 0 366.259 2.788 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)c(C)n1-c1ccccc1 ZINC000281653011 511920483 /nfs/dbraw/zinc/92/04/83/511920483.db2.gz IESUYWBWJAFJBU-QAPCUYQASA-N 0 0 353.422 2.665 20 10 FFCDRN CCOCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000281691939 511932291 /nfs/dbraw/zinc/93/22/91/511932291.db2.gz RYBICNXXFSHCCZ-GASCZTMLSA-N 0 0 364.461 2.872 20 10 FFCDRN CCOCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CC1 ZINC000281691941 511933589 /nfs/dbraw/zinc/93/35/89/511933589.db2.gz RYBICNXXFSHCCZ-HUUCEWRRSA-N 0 0 364.461 2.872 20 10 FFCDRN COCCCOc1cccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000274903438 511982025 /nfs/dbraw/zinc/98/20/25/511982025.db2.gz GVMFVPPIOALKOY-AWEZNQCLSA-N 0 0 359.422 2.874 20 10 FFCDRN CN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](CO)c1ccccc1 ZINC000297064600 512005685 /nfs/dbraw/zinc/00/56/85/512005685.db2.gz DDVBSTZLQPJARI-FQEVSTJZSA-N 0 0 353.466 2.944 20 10 FFCDRN CN(C)c1noc(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000275000002 512012371 /nfs/dbraw/zinc/01/23/71/512012371.db2.gz LQMCASRBVIACJC-UHFFFAOYSA-N 0 0 371.485 2.717 20 10 FFCDRN O=C1[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCN1Cc1ccccn1 ZINC000293609109 512025311 /nfs/dbraw/zinc/02/53/11/512025311.db2.gz LRRIFDLLNGIBKC-MRXNPFEDSA-N 0 0 363.820 2.861 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2ccncc2OCC(F)(F)F)c1 ZINC000282160891 512091580 /nfs/dbraw/zinc/09/15/80/512091580.db2.gz IKJYXZZUJRTFDB-UHFFFAOYSA-N 0 0 357.288 2.926 20 10 FFCDRN CS(=O)(=O)C[C@@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000293820063 512092004 /nfs/dbraw/zinc/09/20/04/512092004.db2.gz FTVZXSRQSZGMBT-GOSISDBHSA-N 0 0 350.528 2.934 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H]2CCN(C(C)=O)c3ccccc32)c(O)c1 ZINC000375690361 512457201 /nfs/dbraw/zinc/45/72/01/512457201.db2.gz KBRWJJIDXRPHCV-QGZVFWFLSA-N 0 0 369.421 2.698 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000371609411 512491706 /nfs/dbraw/zinc/49/17/06/512491706.db2.gz VRMRFBGMMOOXDF-HSVJCBRXSA-N 0 0 360.360 2.784 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc(-c3ncn(C)n3)cc2)c(O)c1 ZINC000373850075 512537118 /nfs/dbraw/zinc/53/71/18/512537118.db2.gz QXTWNFSBUBQWMT-UHFFFAOYSA-N 0 0 353.382 2.518 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC=C(c3ccccc3)C2)c1 ZINC000375966420 512592558 /nfs/dbraw/zinc/59/25/58/512592558.db2.gz ZPQILZLNFYQQDL-UHFFFAOYSA-N 0 0 372.446 2.693 20 10 FFCDRN COc1cccc(CN2CCn3c(Cc4ccccc4)nnc3C2)c1O ZINC000378347565 512708560 /nfs/dbraw/zinc/70/85/60/512708560.db2.gz VTSPCAJYUSIUKM-UHFFFAOYSA-N 0 0 350.422 2.599 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(C(=O)c3ccc(O)cc3)CC2)c(O)c1O ZINC000374721819 512971514 /nfs/dbraw/zinc/97/15/14/512971514.db2.gz VAANHXQQFJXVTQ-UHFFFAOYSA-N 0 0 355.390 2.847 20 10 FFCDRN COc1ccccc1[C@H](NC(=O)c1ccc(C)c(O)c1O)c1nccn1C ZINC000376843312 513012612 /nfs/dbraw/zinc/01/26/12/513012612.db2.gz FQMZAOBETBJOAY-INIZCTEOSA-N 0 0 367.405 2.668 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@@H](c3ncon3)C2)cc1 ZINC000368614825 513027561 /nfs/dbraw/zinc/02/75/61/513027561.db2.gz QQVCROBWYVLMHK-QGZVFWFLSA-N 0 0 352.394 2.691 20 10 FFCDRN NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000372776086 513038892 /nfs/dbraw/zinc/03/88/92/513038892.db2.gz KUXNRDOKLLUPDH-LLVKDONJSA-N 0 0 363.820 2.652 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C(N)=O)c1ccccc1 ZINC000471528381 514918303 /nfs/dbraw/zinc/91/83/03/514918303.db2.gz FIHOLKURORNUSS-SFHVURJKSA-N 0 0 350.422 2.513 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccnc(C(=O)N(C)C)c1 ZINC000467920759 515165413 /nfs/dbraw/zinc/16/54/13/515165413.db2.gz QHNOPNCUWOPKFK-UHFFFAOYSA-N 0 0 365.437 2.905 20 10 FFCDRN CCOC(=O)C1(CNC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CC1 ZINC000472282597 515202195 /nfs/dbraw/zinc/20/21/95/515202195.db2.gz ZWYSMXVXAJRMGM-UHFFFAOYSA-N 0 0 372.465 2.978 20 10 FFCDRN CCOC(=O)c1ccc(C(=O)NCc2c(C)c3ccccc3n2C)nc1 ZINC000509751787 515311674 /nfs/dbraw/zinc/31/16/74/515311674.db2.gz PQIMYQUZNUZJNT-UHFFFAOYSA-N 0 0 351.406 2.988 20 10 FFCDRN Cc1cn2c(ncc(C(=O)NCc3c(C)c4ccccc4n3C)c2=O)s1 ZINC000473278818 515562353 /nfs/dbraw/zinc/56/23/53/515562353.db2.gz IQDAUUJDQCATGP-UHFFFAOYSA-N 0 0 366.446 2.795 20 10 FFCDRN CCC(=O)N[C@@H](CCSC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000473281671 515562761 /nfs/dbraw/zinc/56/27/61/515562761.db2.gz GMVNGBQKPDLYGJ-HNNXBMFYSA-N 0 0 361.511 2.751 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCc3cnc(C)cn3)ccc21 ZINC000457171826 515703783 /nfs/dbraw/zinc/70/37/83/515703783.db2.gz IIYXUUKPIAPWLF-UHFFFAOYSA-N 0 0 366.465 2.975 20 10 FFCDRN COc1ccc(CC(=O)NCCc2ccc(O)c(O)c2)cc1OC(F)F ZINC000528857456 516754611 /nfs/dbraw/zinc/75/46/11/516754611.db2.gz NNXHIJOGXZBAQF-UHFFFAOYSA-N 0 0 367.348 2.609 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000528866715 516759596 /nfs/dbraw/zinc/75/95/96/516759596.db2.gz XMZOZFNOUOPHIK-SNVBAGLBSA-N 0 0 355.316 2.507 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000551895971 516937759 /nfs/dbraw/zinc/93/77/59/516937759.db2.gz SUQVEXOBUJOSRP-AHRSYUTCSA-N 0 0 371.481 2.558 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H]1c1nncn1C ZINC000525934630 517245017 /nfs/dbraw/zinc/24/50/17/517245017.db2.gz YILATWQUMHPIHB-MRXNPFEDSA-N 0 0 352.442 2.662 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000529675628 517276628 /nfs/dbraw/zinc/27/66/28/517276628.db2.gz SCBSCLDCBXSFPR-OLZOCXBDSA-N 0 0 374.300 2.615 20 10 FFCDRN Cc1cc(=NC(=O)Cn2c3ccccc3c3c2CCN(C(C)C)C3)[nH]n1C ZINC000559602743 517336797 /nfs/dbraw/zinc/33/67/97/517336797.db2.gz CTQKQUZQKUOSRA-UHFFFAOYSA-N 0 0 365.481 2.510 20 10 FFCDRN CSc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cn1 ZINC000526922314 517388777 /nfs/dbraw/zinc/38/87/77/517388777.db2.gz KXOKCNNHANHSOW-UHFFFAOYSA-N 0 0 368.462 2.859 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCc3cncnc3)ccc21 ZINC000529934925 517454635 /nfs/dbraw/zinc/45/46/35/517454635.db2.gz XETUCYZNGGOBBQ-UHFFFAOYSA-N 0 0 352.438 2.667 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N=c1ncn(Cc2ccccc2)[n-]1 ZINC000527319229 517635987 /nfs/dbraw/zinc/63/59/87/517635987.db2.gz XSNAGWCYHLWPKN-UHFFFAOYSA-N 0 0 374.448 2.870 20 10 FFCDRN COCC[C@H](COC)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000573258737 518579395 /nfs/dbraw/zinc/57/93/95/518579395.db2.gz QGRJGELRHVEBQV-QGZVFWFLSA-N 0 0 362.470 2.686 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000567840901 518739912 /nfs/dbraw/zinc/73/99/12/518739912.db2.gz QKMOHPGDKPTYDK-RDJZCZTQSA-N 0 0 353.466 2.894 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@](C)(O)CCc1ccccc1 ZINC000577376036 519051115 /nfs/dbraw/zinc/05/11/15/519051115.db2.gz SQVMBFHHLXHMKO-OAQYLSRUSA-N 0 0 354.450 2.862 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000575118207 519509127 /nfs/dbraw/zinc/50/91/27/519509127.db2.gz CDZVFIATHQEFRY-APWZRJJASA-N 0 0 367.453 2.550 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000611658129 521268719 /nfs/dbraw/zinc/26/87/19/521268719.db2.gz QQRCPZPDFAZLIJ-SJORKVTESA-N 0 0 371.481 2.659 20 10 FFCDRN COC[C@@H]1CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000737752727 600573828 /nfs/dbraw/zinc/57/38/28/600573828.db2.gz XHESFUXBAAVAQB-MRXNPFEDSA-N 0 0 370.449 2.943 20 10 FFCDRN C[N@H+](Cc1cc2c(cc1O)OCO2)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694065 604675015 /nfs/dbraw/zinc/67/50/15/604675015.db2.gz ICRLSCKHENMDJF-INIZCTEOSA-N 0 0 369.295 2.796 20 10 FFCDRN C[C@H](C[C@@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824767392 605490614 /nfs/dbraw/zinc/49/06/14/605490614.db2.gz HYBGTVRISRTIEG-ZBFHGGJFSA-N 0 0 365.449 2.673 20 10 FFCDRN O=C([O-])N1CC[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000834077367 605559389 /nfs/dbraw/zinc/55/93/89/605559389.db2.gz HOLNRRYQMFOTLR-OAHLLOKOSA-N 0 0 362.430 2.675 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1cc(C(=O)[O-])ccc1F ZINC000833695566 605830847 /nfs/dbraw/zinc/83/08/47/605830847.db2.gz RLOKVQNDUHSLKJ-UHFFFAOYSA-N 0 0 358.413 2.993 20 10 FFCDRN Cc1ncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[nH]n2)s1 ZINC000822466781 606965662 /nfs/dbraw/zinc/96/56/62/606965662.db2.gz AFYZPRIZJDPGQD-XQRVVYSFSA-N 0 0 360.830 2.961 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)c1O ZINC000821868666 607198251 /nfs/dbraw/zinc/19/82/51/607198251.db2.gz UJNCGCVYXQIRSS-UHFFFAOYSA-N 0 0 374.788 2.556 20 10 FFCDRN COCC[C@@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826153998 607837616 /nfs/dbraw/zinc/83/76/16/607837616.db2.gz FWRDREZDGNBIEG-CYBMUJFWSA-N 0 0 369.425 2.856 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000152518028 728760386 /nfs/dbraw/zinc/76/03/86/728760386.db2.gz SACCTZNKIDMGGT-LPHOPBHVSA-N 0 0 363.527 2.915 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)N(C)CCC3)cc1 ZINC000152724456 728764730 /nfs/dbraw/zinc/76/47/30/728764730.db2.gz UKDJIQGATPYSFU-UHFFFAOYSA-N 0 0 359.495 2.614 20 10 FFCDRN Cc1cccc([C@@H](O)CNC(=O)NCCCSc2nccs2)c1 ZINC000154482558 728805239 /nfs/dbraw/zinc/80/52/39/728805239.db2.gz BIUWSADUWIVLCB-AWEZNQCLSA-N 0 0 351.497 2.967 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC(n2ccnc2)CC1 ZINC000154621962 728808561 /nfs/dbraw/zinc/80/85/61/728808561.db2.gz DOYAQZITHKFVGN-UHFFFAOYSA-N 0 0 351.501 2.869 20 10 FFCDRN CCOC(=O)C1(C(=O)NCc2ccc(N3CCSCC3)cc2)CCC1 ZINC000159026189 728899517 /nfs/dbraw/zinc/89/95/17/728899517.db2.gz HRWFIJAHMGASQQ-UHFFFAOYSA-N 0 0 362.495 2.589 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000159635036 728910114 /nfs/dbraw/zinc/91/01/14/728910114.db2.gz VPRSMWNEFLDBFG-UHFFFAOYSA-N 0 0 356.787 2.775 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc3ncccc32)c1 ZINC000161194021 728930078 /nfs/dbraw/zinc/93/00/78/728930078.db2.gz OQYOFJVFDYLNNQ-GFCCVEGCSA-N 0 0 358.419 2.989 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)Cc2cc(C#N)ccc2F)cc1F ZINC000161714357 728935037 /nfs/dbraw/zinc/93/50/37/728935037.db2.gz YLVLZZHGIHNMHR-UHFFFAOYSA-N 0 0 365.405 2.522 20 10 FFCDRN COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000897987016 735300770 /nfs/dbraw/zinc/30/07/70/735300770.db2.gz MWMLAZOYFFEXNU-LBPRGKRZSA-N 0 0 353.781 2.793 20 10 FFCDRN Cc1cnc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000743564259 735305525 /nfs/dbraw/zinc/30/55/25/735305525.db2.gz HKMDRCKXJWGLPI-AWEZNQCLSA-N 0 0 360.483 2.849 20 10 FFCDRN Cc1ccc(C(=O)OCc2nc([C@@H](C)OCC(C)C)no2)c(O)c1O ZINC000744911413 735385481 /nfs/dbraw/zinc/38/54/81/735385481.db2.gz YMGWVWJPAGQSLR-LLVKDONJSA-N 0 0 350.371 2.880 20 10 FFCDRN CO[C@@H]1CCC[C@@H]([C@@H](CO)NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898586357 735387382 /nfs/dbraw/zinc/38/73/82/735387382.db2.gz GBHCTVLUBNYSLN-RAIGVLPGSA-N 0 0 365.451 2.608 20 10 FFCDRN COc1cccc(/C=C2\SC(N3CCOCC3)=NC2=O)c1OC(C)C ZINC000026763778 727871796 /nfs/dbraw/zinc/87/17/96/727871796.db2.gz WOZMQKBUCXOHFI-PTNGSMBKSA-N 0 0 362.451 2.785 20 10 FFCDRN Cc1ccccc1/C=C1\SC(=S)N(CCCN2CCOCC2)C1=O ZINC000028964083 727888849 /nfs/dbraw/zinc/88/88/49/727888849.db2.gz KDIOEYOQIDGSHP-SSZFMOIBSA-N 0 0 362.520 2.919 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cccc(C)c3)C2)cc1 ZINC000062575198 728133376 /nfs/dbraw/zinc/13/33/76/728133376.db2.gz WOFFTZWBZYOLTN-INIZCTEOSA-N 0 0 360.479 2.808 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc2nccn2c1 ZINC000068550083 728191739 /nfs/dbraw/zinc/19/17/39/728191739.db2.gz LKAQHESZXAWOKS-UHFFFAOYSA-N 0 0 352.463 2.818 20 10 FFCDRN Cc1cccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000070831906 728205963 /nfs/dbraw/zinc/20/59/63/728205963.db2.gz FZNHTFGBSYJDST-UHFFFAOYSA-N 0 0 360.479 2.652 20 10 FFCDRN CCCC(=O)N1CSC[C@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075160095 728244262 /nfs/dbraw/zinc/24/42/62/728244262.db2.gz AVMFVKGFDGEVAK-INIZCTEOSA-N 0 0 362.495 2.589 20 10 FFCDRN CSCC[C@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000077998338 728290943 /nfs/dbraw/zinc/29/09/43/728290943.db2.gz UMKDMRXTJVRRFI-HNNXBMFYSA-N 0 0 351.516 2.806 20 10 FFCDRN CC(=O)N[C@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)c1cccs1 ZINC000746802963 735510568 /nfs/dbraw/zinc/51/05/68/735510568.db2.gz IJBITIOFVKJPFS-OAHLLOKOSA-N 0 0 363.458 2.837 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc([S@](C)=O)cc2)c1 ZINC000080196235 728323659 /nfs/dbraw/zinc/32/36/59/728323659.db2.gz ZJYAONYWYIVVLD-XELLLNAOSA-N 0 0 362.451 2.699 20 10 FFCDRN CCC(C)(C)NC(=O)[C@@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866813 728426455 /nfs/dbraw/zinc/42/64/55/728426455.db2.gz PQGFLQBNBVMUDS-CQSZACIVSA-N 0 0 351.466 2.650 20 10 FFCDRN COc1ccc(N2CCN(Cn3ccc(C(F)(F)F)n3)CC2)cc1F ZINC000084926063 728427561 /nfs/dbraw/zinc/42/75/61/728427561.db2.gz ZFXFUQDGTZVRRE-UHFFFAOYSA-N 0 0 358.339 2.829 20 10 FFCDRN COC(=O)c1cccc2c1OCCN2C(=O)/C=C/c1ccc(Cl)nc1 ZINC000090130933 728449310 /nfs/dbraw/zinc/44/93/10/728449310.db2.gz DTICJUGBQPJENT-SOFGYWHQSA-N 0 0 358.781 2.960 20 10 FFCDRN CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000092510379 728468163 /nfs/dbraw/zinc/46/81/63/728468163.db2.gz XHXQFRIPHHBIOH-AWEZNQCLSA-N 0 0 355.276 2.988 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000093017721 728473350 /nfs/dbraw/zinc/47/33/50/728473350.db2.gz CWQPGLAZEXQEPH-AWEZNQCLSA-N 0 0 369.303 2.699 20 10 FFCDRN C[C@@H](C(=O)NC1CCCC1)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000093077823 728473655 /nfs/dbraw/zinc/47/36/55/728473655.db2.gz YTQIBJHSHLYLQM-AWEZNQCLSA-N 0 0 365.905 2.611 20 10 FFCDRN Cc1c(Cl)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000093900570 728478329 /nfs/dbraw/zinc/47/83/29/728478329.db2.gz PBJPABBBWKFRJP-UHFFFAOYSA-N 0 0 354.815 2.978 20 10 FFCDRN NC(=O)CC[N@H+](Cc1ccccc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000122093621 728643903 /nfs/dbraw/zinc/64/39/03/728643903.db2.gz MEXWRCJGAAITSH-UHFFFAOYSA-N 0 0 363.801 2.831 20 10 FFCDRN CC(C)(C)c1cc(O)c(O)c(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000122368511 728646650 /nfs/dbraw/zinc/64/66/50/728646650.db2.gz PAFZGLAMPFHSNW-OAHLLOKOSA-N 0 0 353.484 2.547 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OC(F)F)c1 ZINC000122361222 728646672 /nfs/dbraw/zinc/64/66/72/728646672.db2.gz JZSVYINRXOZJEE-UHFFFAOYSA-N 0 0 350.321 2.591 20 10 FFCDRN Cc1sc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000123466409 728658721 /nfs/dbraw/zinc/65/87/21/728658721.db2.gz JLNLYABLWVQGOE-UHFFFAOYSA-N 0 0 373.431 2.648 20 10 FFCDRN O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CCOCC1 ZINC000124480461 728671077 /nfs/dbraw/zinc/67/10/77/728671077.db2.gz JLPITLVCYDUYSR-GFCCVEGCSA-N 0 0 373.280 2.770 20 10 FFCDRN COc1cc(N(C)CC(=O)NC2CCC(C)CC2)cc(OC)c1OC ZINC000125782365 728687544 /nfs/dbraw/zinc/68/75/44/728687544.db2.gz HEYPLQMLSRIJCZ-UHFFFAOYSA-N 0 0 350.459 2.844 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](C)O)c(C)n1-c1cccc(Br)c1 ZINC000127484226 728706449 /nfs/dbraw/zinc/70/64/49/728706449.db2.gz CJXVNPRFOGWNPN-NSHDSACASA-N 0 0 351.244 2.967 20 10 FFCDRN Cc1nc(NC(=O)NCCc2ccc(O)c(O)c2)ccc1Br ZINC000128469532 728708900 /nfs/dbraw/zinc/70/89/00/728708900.db2.gz GELUAANAWGKRHT-UHFFFAOYSA-N 0 0 366.215 2.928 20 10 FFCDRN O=S(=O)(Nc1c(F)cccc1N1CCCC1)c1cccc2nonc21 ZINC000129246959 728710832 /nfs/dbraw/zinc/71/08/32/728710832.db2.gz AKKMEKCIUSZHFI-UHFFFAOYSA-N 0 0 362.386 2.763 20 10 FFCDRN Cc1ccc(Cl)c(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000134610588 728731376 /nfs/dbraw/zinc/73/13/76/728731376.db2.gz QTHLQESMRPETQL-NSHDSACASA-N 0 0 362.813 2.746 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCc2n[nH]cc21 ZINC000134647160 728731768 /nfs/dbraw/zinc/73/17/68/728731768.db2.gz KYSHPMRGXHSPDY-MRXNPFEDSA-N 0 0 356.495 2.699 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C1CCOCC1 ZINC000134675566 728732109 /nfs/dbraw/zinc/73/21/09/728732109.db2.gz QGPFCJVNDJJSPR-HNNXBMFYSA-N 0 0 363.527 2.854 20 10 FFCDRN C[C@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000134899095 728733917 /nfs/dbraw/zinc/73/39/17/728733917.db2.gz ZKUVPLMNDHRVRR-BQBZGAKWSA-N 0 0 353.054 2.949 20 10 FFCDRN C[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000134925769 728734201 /nfs/dbraw/zinc/73/42/01/728734201.db2.gz AUZZCHBPCBACHJ-BQBZGAKWSA-N 0 0 353.054 2.949 20 10 FFCDRN O=C(Cn1cc(-c2ccccc2)nn1)NCCCSc1nccs1 ZINC000137271848 728740260 /nfs/dbraw/zinc/74/02/60/728740260.db2.gz VWPJEFYTGWQXQZ-UHFFFAOYSA-N 0 0 359.480 2.700 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3ccccc3C)CC2)cc1F ZINC000150904480 728743727 /nfs/dbraw/zinc/74/37/27/728743727.db2.gz UTGSYKZRLYSIAH-UHFFFAOYSA-N 0 0 364.442 2.654 20 10 FFCDRN COc1ccc(N2CCN(Cn3nc(C(C)C)n(C)c3=S)CC2)cc1 ZINC000171090042 728996842 /nfs/dbraw/zinc/99/68/42/728996842.db2.gz CVUCAGWSHXFTLJ-UHFFFAOYSA-N 0 0 361.515 2.863 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCC[S@@](=O)C(C)(C)C)cc1 ZINC000172061441 729018896 /nfs/dbraw/zinc/01/88/96/729018896.db2.gz ODPALENMOGHTPM-XMMPIXPASA-N 0 0 353.532 2.879 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000172561108 729028203 /nfs/dbraw/zinc/02/82/03/729028203.db2.gz MMYRLVYYQKYIRW-OAHLLOKOSA-N 0 0 360.479 2.662 20 10 FFCDRN CCN(Cc1nc(CCOC)no1)Cc1cc(Br)ccc1O ZINC000174422563 729071812 /nfs/dbraw/zinc/07/18/12/729071812.db2.gz KUVFCDHFGUDGHQ-UHFFFAOYSA-N 0 0 370.247 2.749 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)CS(C)(=O)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000176687544 729117507 /nfs/dbraw/zinc/11/75/07/729117507.db2.gz FRXVYNRALYSBNB-CQSZACIVSA-N 0 0 362.495 2.874 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1(CS(C)(=O)=O)CC1 ZINC000177244996 729132398 /nfs/dbraw/zinc/13/23/98/729132398.db2.gz MLSDVWDGCREQGI-UHFFFAOYSA-N 0 0 366.508 2.710 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1ccc(F)c(F)c1 ZINC000177760694 729145977 /nfs/dbraw/zinc/14/59/77/729145977.db2.gz RBWHEMFOMPNHLM-UHFFFAOYSA-N 0 0 357.407 2.658 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(C(F)F)c2)c1 ZINC000179515423 729187784 /nfs/dbraw/zinc/18/77/84/729187784.db2.gz KGLXNMZTFJWHGC-UHFFFAOYSA-N 0 0 356.350 2.954 20 10 FFCDRN O=C1CCCc2cc(S(=O)(=O)Nc3ccc(O)cc3F)ccc2N1 ZINC000184614811 729329662 /nfs/dbraw/zinc/32/96/62/729329662.db2.gz ZYSUVUMUKQZSKP-UHFFFAOYSA-N 0 0 350.371 2.607 20 10 FFCDRN CC(C)(O)[C@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000185503394 729350892 /nfs/dbraw/zinc/35/08/92/729350892.db2.gz FKICTUBQOOGMJH-QGZVFWFLSA-N 0 0 363.527 2.685 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H](O)C(F)(F)F)cc1F ZINC000186092355 729360568 /nfs/dbraw/zinc/36/05/68/729360568.db2.gz KSHBGLFLHGHDMB-CQSZACIVSA-N 0 0 365.371 2.737 20 10 FFCDRN Cc1ccc(C[NH+](C)C)cc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000192837075 729460774 /nfs/dbraw/zinc/46/07/74/729460774.db2.gz SIAGPUYZJLLQSY-UHFFFAOYSA-N 0 0 362.480 2.862 20 10 FFCDRN COCC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756586758 736345462 /nfs/dbraw/zinc/34/54/62/736345462.db2.gz UCVTXVSHGSBZSB-YMTOWFKASA-N 0 0 350.228 2.732 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccn(CC(F)F)n1 ZINC000193844576 729492180 /nfs/dbraw/zinc/49/21/80/729492180.db2.gz SVEGNKGPPUQAED-UHFFFAOYSA-N 0 0 366.437 2.631 20 10 FFCDRN Cc1cc(C)cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c1 ZINC000255213486 729634333 /nfs/dbraw/zinc/63/43/33/729634333.db2.gz XQFDPCHOSHLMNY-FOWTUZBSSA-N 0 0 362.520 2.837 20 10 FFCDRN Cc1ccc(C#N)cc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC000303664557 729734347 /nfs/dbraw/zinc/73/43/47/729734347.db2.gz XFALHPUXAUBUJV-UHFFFAOYSA-N 0 0 355.463 2.728 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000383625460 729835713 /nfs/dbraw/zinc/83/57/13/729835713.db2.gz AGBKDECQZANQOR-UHFFFAOYSA-N 0 0 356.787 2.775 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCN(CC(C)C)C(=O)C2)c1 ZINC000779199469 738442891 /nfs/dbraw/zinc/44/28/91/738442891.db2.gz AHHAWSFYHPWZKM-UHFFFAOYSA-N 0 0 355.276 2.763 20 10 FFCDRN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907640415 736650640 /nfs/dbraw/zinc/65/06/40/736650640.db2.gz RFXMTNNIKOKOAN-RBIVETJNSA-N 0 0 361.419 2.726 20 10 FFCDRN COCCOc1ncccc1CNCc1cc(F)c(N(C)C)cc1F ZINC000858099811 730416427 /nfs/dbraw/zinc/41/64/27/730416427.db2.gz YNSSHRSNEVAKMQ-UHFFFAOYSA-N 0 0 351.397 2.741 20 10 FFCDRN CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000858252692 730420884 /nfs/dbraw/zinc/42/08/84/730420884.db2.gz PEONGHCIYGFAAP-CHWSQXEVSA-N 0 0 367.298 2.649 20 10 FFCDRN COCCNS(=O)(=O)c1cccc(NCc2cc(Cl)ccc2O)c1 ZINC000858339147 730423167 /nfs/dbraw/zinc/42/31/67/730423167.db2.gz PMVLOPXXQRASBD-UHFFFAOYSA-N 0 0 370.858 2.582 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1COCCN1C)c1cc(Br)cc(Cl)c1[O-] ZINC000858523328 730428078 /nfs/dbraw/zinc/42/80/78/730428078.db2.gz PNJSGHWZMQYCJR-KOLCDFICSA-N 0 0 363.683 2.789 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000858667551 730431167 /nfs/dbraw/zinc/43/11/67/730431167.db2.gz SKNUAKBPETZGBK-DOTOQJQBSA-N 0 0 367.287 2.907 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COCC(F)F)cc1 ZINC000858927334 730436853 /nfs/dbraw/zinc/43/68/53/730436853.db2.gz KUEWMRMPYOELHD-INIZCTEOSA-N 0 0 356.413 2.542 20 10 FFCDRN O=C(Cc1ccccc1CO)NCc1ccc(N2CCSCC2)cc1 ZINC000779609212 738472190 /nfs/dbraw/zinc/47/21/90/738472190.db2.gz ZOCXZMUUPHXHPL-UHFFFAOYSA-N 0 0 356.491 2.591 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cc(C(F)(F)F)ccn1 ZINC000860693512 730537989 /nfs/dbraw/zinc/53/79/89/730537989.db2.gz CXQIASGDUWWWTJ-SNVBAGLBSA-N 0 0 354.328 2.802 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](C)C[S@@](C)=O)ccc1C ZINC000860761983 730544806 /nfs/dbraw/zinc/54/48/06/730544806.db2.gz YNNURSRSEBFHFX-ZJWNCGCPSA-N 0 0 360.479 2.712 20 10 FFCDRN Cc1cc(C2(C(=O)NCc3cc(Cl)ccc3O)CCOCC2)on1 ZINC000862131170 730669049 /nfs/dbraw/zinc/66/90/49/730669049.db2.gz SOWRPUCJVVPPDU-UHFFFAOYSA-N 0 0 350.802 2.707 20 10 FFCDRN COC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862362921 730692065 /nfs/dbraw/zinc/69/20/65/730692065.db2.gz HCERKEWVXRPSBY-OAHLLOKOSA-N 0 0 366.330 2.958 20 10 FFCDRN CC[C@H]1CN(Cc2c(O)cccc2Br)C[C@H](C)S1(=O)=O ZINC000862366466 730692319 /nfs/dbraw/zinc/69/23/19/730692319.db2.gz ITYGSXLNQWBOAB-QWRGUYRKSA-N 0 0 362.289 2.552 20 10 FFCDRN CN(C)C(=O)OC1CC[NH+](Cc2c(O)cccc2Br)CC1 ZINC000862378378 730694523 /nfs/dbraw/zinc/69/45/23/730694523.db2.gz SMUBBJQIHGDGRQ-UHFFFAOYSA-N 0 0 357.248 2.817 20 10 FFCDRN CNC(=O)[C@@]1(C(F)(F)F)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862399775 730697336 /nfs/dbraw/zinc/69/73/36/730697336.db2.gz BTRUPZDCTAFUSC-OAHLLOKOSA-N 0 0 365.346 2.531 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000862758005 730723796 /nfs/dbraw/zinc/72/37/96/730723796.db2.gz LMEMGHPXYSUDOB-SNVBAGLBSA-N 0 0 353.344 2.864 20 10 FFCDRN Cc1cc(CNC(=O)CSc2n[nH]c(C)n2)c(C)n1-c1ccccc1 ZINC000863166090 730753458 /nfs/dbraw/zinc/75/34/58/730753458.db2.gz SRTFASDOFOMWHA-UHFFFAOYSA-N 0 0 355.467 2.929 20 10 FFCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1cn(-c2ccc(F)cc2)nn1 ZINC000863181283 730754222 /nfs/dbraw/zinc/75/42/22/730754222.db2.gz YPLDRCUPMFDHMG-XNTDXEJSSA-N 0 0 357.414 2.863 20 10 FFCDRN CCC1(CO)CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000863583805 730793197 /nfs/dbraw/zinc/79/31/97/730793197.db2.gz HUEDJOZHJLFQHG-UHFFFAOYSA-N 0 0 359.495 2.941 20 10 FFCDRN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000863939227 730816881 /nfs/dbraw/zinc/81/68/81/730816881.db2.gz ZCGNRXDYDLUGHT-QWRGUYRKSA-N 0 0 353.390 2.677 20 10 FFCDRN O=Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000865953719 731015012 /nfs/dbraw/zinc/01/50/12/731015012.db2.gz XMDGWODZDAUXOL-UHFFFAOYSA-N 0 0 358.463 2.699 20 10 FFCDRN COc1c(F)cccc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000866418781 731058007 /nfs/dbraw/zinc/05/80/07/731058007.db2.gz UAZWHMXRXWNGGC-UHFFFAOYSA-N 0 0 352.431 2.721 20 10 FFCDRN C[C@@H](NS(=O)(=O)C[C@@H]1CCC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000866606443 731079644 /nfs/dbraw/zinc/07/96/44/731079644.db2.gz YPSMRBSZSWOVGN-HIFRSBDPSA-N 0 0 374.453 2.549 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1csc(CO)n1 ZINC000866604689 731079688 /nfs/dbraw/zinc/07/96/88/731079688.db2.gz YPYNJSGTWAECCI-UHFFFAOYSA-N 0 0 371.256 2.766 20 10 FFCDRN COc1cccc(CNC(=O)c2c(C(F)F)nc3n2CCCC3)c1O ZINC000866763567 731096675 /nfs/dbraw/zinc/09/66/75/731096675.db2.gz MBXMQYJZXIAXQD-UHFFFAOYSA-N 0 0 351.353 2.801 20 10 FFCDRN COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccc(O)cc1O ZINC000867417523 731181982 /nfs/dbraw/zinc/18/19/82/731181982.db2.gz YHHPBRGKLQSJPJ-UHFFFAOYSA-N 0 0 365.451 2.882 20 10 FFCDRN CC(C)C(=O)Nc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000867691092 731213982 /nfs/dbraw/zinc/21/39/82/731213982.db2.gz RBCSELLBUPMDIV-UHFFFAOYSA-N 0 0 360.435 2.691 20 10 FFCDRN COCCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1C ZINC000867834628 731232086 /nfs/dbraw/zinc/23/20/86/731232086.db2.gz SOXCOOYNAYNKKY-AWEZNQCLSA-N 0 0 365.451 2.765 20 10 FFCDRN CO[C@H](CS(=O)(=O)N[C@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC000867835120 731232205 /nfs/dbraw/zinc/23/22/05/731232205.db2.gz UKJVUNKMFHMZMH-SJKOYZFVSA-N 0 0 353.415 2.899 20 10 FFCDRN O=C(/C=C\COC1CCOCC1)NCc1cc(Br)ccc1O ZINC000868307056 731279871 /nfs/dbraw/zinc/27/98/71/731279871.db2.gz MTGTVQAOKUGNIY-UPHRSURJSA-N 0 0 370.243 2.523 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cccn(C2CC2)c1=O ZINC000868306897 731279895 /nfs/dbraw/zinc/27/98/95/731279895.db2.gz GQHZLBKJLIEFJS-UHFFFAOYSA-N 0 0 363.211 2.581 20 10 FFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000868839215 731337154 /nfs/dbraw/zinc/33/71/54/731337154.db2.gz ZSBJEZILLDZRKN-FAAHXZRKSA-N 0 0 350.409 2.710 20 10 FFCDRN C[C@@H](NC(=O)[C@H]1CSCCS1)c1ccc(N2CCOCC2)cc1 ZINC000920880469 737932714 /nfs/dbraw/zinc/93/27/14/737932714.db2.gz ASRNLELOWGRJGY-CZUORRHYSA-N 0 0 352.525 2.549 20 10 FFCDRN COc1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cn1 ZINC000780143541 738521959 /nfs/dbraw/zinc/52/19/59/738521959.db2.gz OHKNEFXQYZSJDW-MDWZMJQESA-N 0 0 371.443 2.595 20 10 FFCDRN CSc1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)co1 ZINC000869773656 731438644 /nfs/dbraw/zinc/43/86/44/731438644.db2.gz YHZPCAAUXJREBP-UHFFFAOYSA-N 0 0 362.451 2.883 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CC3CCSCC3)CC2)c(OC)c1 ZINC000870165386 731477847 /nfs/dbraw/zinc/47/78/47/731477847.db2.gz XHVDJEONCJUYTJ-UHFFFAOYSA-N 0 0 364.511 2.886 20 10 FFCDRN C[C@@H](NC(=O)NCC[C@H](N(C)C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000922053935 738084479 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C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876545100 732255557 /nfs/dbraw/zinc/25/55/57/732255557.db2.gz AFHZVOXNWCOMNU-JTQLQIEISA-N 0 0 356.394 2.511 20 10 FFCDRN O=S(=O)(CCC[NH2+]Cc1ccc(F)c(F)c1[O-])Cc1ccccc1 ZINC000876939090 732299584 /nfs/dbraw/zinc/29/95/84/732299584.db2.gz FUBKJRMUVBWCNF-UHFFFAOYSA-N 0 0 355.406 2.765 20 10 FFCDRN COc1ccc(CNC(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000926299820 738594839 /nfs/dbraw/zinc/59/48/39/738594839.db2.gz NHAIFQNEAXSPFS-BXUZGUMPSA-N 0 0 362.348 2.700 20 10 FFCDRN CN(C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)c1ccc(N)cc1 ZINC000877081097 732322175 /nfs/dbraw/zinc/32/21/75/732322175.db2.gz ULSAGYBCBVXBJH-UHFFFAOYSA-N 0 0 358.463 2.584 20 10 FFCDRN O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(F)c2[O-])C1 ZINC000877714241 732417929 /nfs/dbraw/zinc/41/79/29/732417929.db2.gz LSSZSTAXGCYFDN-MQMHXKEQSA-N 0 0 353.390 2.765 20 10 FFCDRN Cc1cc2c(cc1NC(=O)C1(S(=O)(=O)c3ccccc3)CC1)OCO2 ZINC000781202098 738605942 /nfs/dbraw/zinc/60/59/42/738605942.db2.gz HRULHTYNMGQHFT-UHFFFAOYSA-N 0 0 359.403 2.669 20 10 FFCDRN O=C1N[C@H](c2cc(Br)ccc2O)N2CCc3ccccc3[C@@H]12 ZINC000877856097 732445283 /nfs/dbraw/zinc/44/52/83/732445283.db2.gz OFUFIOZLKSMKQZ-HOTGVXAUSA-N 0 0 359.223 2.883 20 10 FFCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1CCC[C@H](C(F)(F)F)O1 ZINC000926404577 738611445 /nfs/dbraw/zinc/61/14/45/738611445.db2.gz ZJJHYQIIFNNAAP-NOZJJQNGSA-N 0 0 350.312 2.831 20 10 FFCDRN CSc1nccnc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878437525 732531719 /nfs/dbraw/zinc/53/17/19/732531719.db2.gz OJHRGKIOTLHJSV-CYBMUJFWSA-N 0 0 358.467 2.526 20 10 FFCDRN COC(=O)[C@@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000781594450 738639283 /nfs/dbraw/zinc/63/92/83/738639283.db2.gz MVOHDYJDUYHJJQ-BBRMVZONSA-N 0 0 354.397 2.798 20 10 FFCDRN COC(=O)CC1([NH2+]Cc2cc(C)cc(Br)c2[O-])CCOCC1 ZINC000781632046 738643034 /nfs/dbraw/zinc/64/30/34/738643034.db2.gz DXYAQOFJLRLCOX-UHFFFAOYSA-N 0 0 372.259 2.665 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCN(C(=O)C(C)C)CC2)c1 ZINC000781894622 738668830 /nfs/dbraw/zinc/66/88/30/738668830.db2.gz JGRWXHOICLWJTK-UHFFFAOYSA-N 0 0 355.276 2.763 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1 ZINC000781911923 738671599 /nfs/dbraw/zinc/67/15/99/738671599.db2.gz UZKDVNYSORNFHQ-WFASDCNBSA-N 0 0 367.287 2.954 20 10 FFCDRN COc1cccc(CNC(=O)CCCCNC(=O)OC(C)(C)C)c1O ZINC000782015203 738680580 /nfs/dbraw/zinc/68/05/80/738680580.db2.gz UEEUGLVVXJJWJI-UHFFFAOYSA-N 0 0 352.431 2.712 20 10 FFCDRN C[C@@]1(CS(=O)(=O)NCc2cccc(Br)c2O)CC1(F)F ZINC000882131904 733176685 /nfs/dbraw/zinc/17/66/85/733176685.db2.gz OCYKYNXKTYLTOT-NSHDSACASA-N 0 0 370.215 2.619 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000927136757 738695631 /nfs/dbraw/zinc/69/56/31/738695631.db2.gz SBLTUNHGZHJHGL-AMIZOPFISA-N 0 0 374.666 2.926 20 10 FFCDRN CCc1nn(C)c(OC)c1C[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883082049 733329503 /nfs/dbraw/zinc/32/95/03/733329503.db2.gz VQPPTWBXXUZUMM-UHFFFAOYSA-N 0 0 372.238 2.888 20 10 FFCDRN Cc1ccc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])c(=O)n1C ZINC000883105185 733334054 /nfs/dbraw/zinc/33/40/54/733334054.db2.gz AMXCHZGRSUBCAV-UHFFFAOYSA-N 0 0 355.207 2.591 20 10 FFCDRN CO[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883133391 733339847 /nfs/dbraw/zinc/33/98/47/733339847.db2.gz XPFCGWWSWQROMU-RNCFNFMXSA-N 0 0 364.667 2.949 20 10 FFCDRN O=C1[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])CCN1C1CCC1 ZINC000883191487 733348829 /nfs/dbraw/zinc/34/88/29/733348829.db2.gz CDNOXRSVHRETFD-ZDUSSCGKSA-N 0 0 357.223 2.537 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C1CN(c2ccncn2)C1 ZINC000883197822 733349616 /nfs/dbraw/zinc/34/96/16/733349616.db2.gz UAOLBBOFXDYXAC-UHFFFAOYSA-N 0 0 369.650 2.577 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H](CO)Cc1ccoc1 ZINC000883272201 733357866 /nfs/dbraw/zinc/35/78/66/733357866.db2.gz GSFDMSJRVGEPIO-LLVKDONJSA-N 0 0 358.207 2.828 20 10 FFCDRN Cc1cnc(Cl)c(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000885037517 733614620 /nfs/dbraw/zinc/61/46/20/733614620.db2.gz SRWTUZZKEYDEBI-UHFFFAOYSA-N 0 0 367.858 2.697 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCc2ncsc2C1 ZINC000782558850 738733722 /nfs/dbraw/zinc/73/37/22/738733722.db2.gz RJKXPJBSZTVDOO-UHFFFAOYSA-N 0 0 374.535 2.964 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H](CO)C[C@@H]1CCCO1 ZINC000886220392 733761083 /nfs/dbraw/zinc/76/10/83/733761083.db2.gz HKUCNNLKIYXYQT-NEPJUHHUSA-N 0 0 364.667 2.828 20 10 FFCDRN O=C(NC1(c2ncc(Br)cn2)CCC1)C1=CC(=O)CS1 ZINC000886840474 733848197 /nfs/dbraw/zinc/84/81/97/733848197.db2.gz FFTWYXCGFTXZLJ-UHFFFAOYSA-N 0 0 354.229 2.815 20 10 FFCDRN Nc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000927767774 738780579 /nfs/dbraw/zinc/78/05/79/738780579.db2.gz KFWFTAYRCUULQT-UHFFFAOYSA-N 0 0 352.360 2.679 20 10 FFCDRN C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783262592 738796539 /nfs/dbraw/zinc/79/65/39/738796539.db2.gz MPXPYEFZTFGIMJ-VIFPVBQESA-N 0 0 352.289 2.569 20 10 FFCDRN Cc1cc(Br)cc(CN(C)CC(C)(C)S(C)(=O)=O)c1O ZINC000713912234 734368449 /nfs/dbraw/zinc/36/84/49/734368449.db2.gz WHMGZBWQYSDDDS-UHFFFAOYSA-N 0 0 364.305 2.718 20 10 FFCDRN COc1ccc(N(CC(=O)NC(=O)NC2CCCC2)C(C)C)cc1F ZINC000725815372 734392839 /nfs/dbraw/zinc/39/28/39/734392839.db2.gz DJTZYXVFCLLGOR-UHFFFAOYSA-N 0 0 351.422 2.818 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N=S2(=O)CCOCC2)c1 ZINC000891375173 734421440 /nfs/dbraw/zinc/42/14/40/734421440.db2.gz YHJDJUIASWHIBD-UHFFFAOYSA-N 0 0 360.435 2.545 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1csnn1 ZINC000726568169 734434785 /nfs/dbraw/zinc/43/47/85/734434785.db2.gz YFSNLXFCKMZPMJ-UHFFFAOYSA-N 0 0 354.382 2.538 20 10 FFCDRN COCCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726700768 734440909 /nfs/dbraw/zinc/44/09/09/734440909.db2.gz MMRFNHDTJYMKPS-UHFFFAOYSA-N 0 0 357.401 2.593 20 10 FFCDRN O=C(N[C@@H]1CCCN2CCSC[C@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000928071310 738815968 /nfs/dbraw/zinc/81/59/68/738815968.db2.gz CLFBYJLKTOOUBV-VXGBXAGGSA-N 0 0 364.492 2.622 20 10 FFCDRN CO[C@H](C)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000726986084 734458290 /nfs/dbraw/zinc/45/82/90/734458290.db2.gz KTUSKAXZZYPBDC-LLVKDONJSA-N 0 0 364.423 2.723 20 10 FFCDRN CCOC(=O)CCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000728839716 734545659 /nfs/dbraw/zinc/54/56/59/734545659.db2.gz YAVNGCXXZZZHCY-UHFFFAOYSA-N 0 0 360.376 2.987 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000731868064 734702147 /nfs/dbraw/zinc/70/21/47/734702147.db2.gz KDKFMGHKCNPGQG-UHFFFAOYSA-N 0 0 350.827 2.705 20 10 FFCDRN CN(Cc1ccc(OC(F)F)cc1)C(=O)COC(=O)C1=CC(=O)CS1 ZINC000731911939 734704966 /nfs/dbraw/zinc/70/49/66/734704966.db2.gz OCOWMCDMEDMRCG-UHFFFAOYSA-N 0 0 371.361 2.871 20 10 FFCDRN CC(=O)c1ccc(NC(=S)NNc2ccccc2S(C)(=O)=O)cc1 ZINC000731949773 734709051 /nfs/dbraw/zinc/70/90/51/734709051.db2.gz OJPDBJHKKZELRV-UHFFFAOYSA-N 0 0 363.464 2.606 20 10 FFCDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)c(OC)c1 ZINC000732352960 734736577 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CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2O)[C@]12CCCO2 ZINC000894191811 734815538 /nfs/dbraw/zinc/81/55/38/734815538.db2.gz DOLMGOMJOYDHBK-JJRVBVJISA-N 0 0 354.834 2.571 20 10 FFCDRN COC(=O)N1CCC([C@H](C)NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000894293714 734831404 /nfs/dbraw/zinc/83/14/04/734831404.db2.gz FQSRKODCWKNWDZ-NSHDSACASA-N 0 0 369.849 2.712 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000733880827 734855810 /nfs/dbraw/zinc/85/58/10/734855810.db2.gz OWLWZHOZBAMBPQ-CYBMUJFWSA-N 0 0 361.492 2.795 20 10 FFCDRN Cn1cc(C(=O)NCCCSc2nccs2)c(C(F)(F)F)n1 ZINC000733972298 734864600 /nfs/dbraw/zinc/86/46/00/734864600.db2.gz CBODHNONNPAJSC-UHFFFAOYSA-N 0 0 350.391 2.808 20 10 FFCDRN O=C(NCCc1cn2c(n1)CCCC2)c1cc2cc(O)c(O)cc2s1 ZINC000895629369 735034281 /nfs/dbraw/zinc/03/42/81/735034281.db2.gz KBCFVQGAYGBRTF-UHFFFAOYSA-N 0 0 357.435 2.818 20 10 FFCDRN COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(C)cc(Br)c1O ZINC000895861630 735065850 /nfs/dbraw/zinc/06/58/50/735065850.db2.gz 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735272786 /nfs/dbraw/zinc/27/27/86/735272786.db2.gz IJDTVOUURKITOU-UHFFFAOYSA-N 0 0 365.227 2.807 20 10 FFCDRN CC1(C)CN(C(=O)C(=O)NCc2ccccc2O)c2cccc(Cl)c21 ZINC000748479856 735648787 /nfs/dbraw/zinc/64/87/87/735648787.db2.gz YVLJNQILCFFQJW-UHFFFAOYSA-N 0 0 358.825 2.986 20 10 FFCDRN COc1ccc(CN(C)C(=O)NCCCSc2nccs2)cn1 ZINC000749202271 735703809 /nfs/dbraw/zinc/70/38/09/735703809.db2.gz LXSCSMOMCWGFGF-UHFFFAOYSA-N 0 0 352.485 2.871 20 10 FFCDRN Cc1ccc(-c2nc(/C=C3/SC(N4CCOCC4)=NC3=O)co2)cc1 ZINC000749890951 735758104 /nfs/dbraw/zinc/75/81/04/735758104.db2.gz DZZONSNBGKTSIM-XNTDXEJSSA-N 0 0 355.419 2.953 20 10 FFCDRN O=[N+]([O-])c1cc(CN2C[C@@H](O)CC(F)(F)C2)ccc1N1CCCCC1 ZINC000787438026 739136830 /nfs/dbraw/zinc/13/68/30/739136830.db2.gz GIOAZHTVQNLTHP-AWEZNQCLSA-N 0 0 355.385 2.787 20 10 FFCDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2F)c(O)c1O ZINC000750621851 735805013 /nfs/dbraw/zinc/80/50/13/735805013.db2.gz LJZCLBQTLVGAPW-SECBINFHSA-N 0 0 351.305 2.868 20 10 FFCDRN 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COc1cccc(C(=O)NCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816541366 742039914 /nfs/dbraw/zinc/03/99/14/742039914.db2.gz KXNUGMHMULDLSK-UHFFFAOYSA-N 0 0 352.793 2.713 20 10 FFCDRN O=S1(=O)CCc2cc(C[NH2+]Cc3cc(Cl)c(F)cc3[O-])ccc21 ZINC000816557309 742041737 /nfs/dbraw/zinc/04/17/37/742041737.db2.gz LRUPKFNNPAPWIV-UHFFFAOYSA-N 0 0 355.818 2.804 20 10 FFCDRN CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)c(F)cc1O ZINC000816589980 742044849 /nfs/dbraw/zinc/04/48/49/742044849.db2.gz OBKCMGDPZSPMNG-UHFFFAOYSA-N 0 0 370.833 2.656 20 10 FFCDRN CO[C@@H](CC(C)C)CS(=O)(=O)NCCCSc1nccs1 ZINC000817133498 742091819 /nfs/dbraw/zinc/09/18/19/742091819.db2.gz TXXPAQMXYGXOIK-LBPRGKRZSA-N 0 0 352.547 2.606 20 10 FFCDRN CC[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000817176576 742101599 /nfs/dbraw/zinc/10/15/99/742101599.db2.gz ISLKMLJSSVLDHX-CHWSQXEVSA-N 0 0 357.248 2.912 20 10 FFCDRN CCOc1cc(O)ccc1NS(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000817356069 742128366 /nfs/dbraw/zinc/12/83/66/742128366.db2.gz 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742411023 /nfs/dbraw/zinc/41/10/23/742411023.db2.gz NOJUKMMMIUDNPV-CYBMUJFWSA-N 0 0 360.483 2.758 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nc2c(s1)CCC2 ZINC000819700028 742424629 /nfs/dbraw/zinc/42/46/29/742424629.db2.gz QGSBLUFIDMHLAB-UHFFFAOYSA-N 0 0 360.435 2.543 20 10 FFCDRN CCc1csc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000821470142 742632959 /nfs/dbraw/zinc/63/29/59/742632959.db2.gz SOGDXIGNNSIVMK-UHFFFAOYSA-N 0 0 360.483 2.988 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3nc(SC)ns3)C2)cc1 ZINC000821771415 742660981 /nfs/dbraw/zinc/66/09/81/742660981.db2.gz GLUFSIYSSQOODF-SNVBAGLBSA-N 0 0 365.484 2.669 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC1CCN(CC(F)F)CC1 ZINC000821806777 742664905 /nfs/dbraw/zinc/66/49/05/742664905.db2.gz HHPDTMTZNQZERU-LBPRGKRZSA-N 0 0 356.413 2.512 20 10 FFCDRN COCC(C)(C)[NH+]1CCN(Cc2cccc(Br)c2[O-])CC1 ZINC000822498022 742744018 /nfs/dbraw/zinc/74/40/18/742744018.db2.gz SYJBICPOJIEEFF-UHFFFAOYSA-N 0 0 357.292 2.697 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](n3ccnn3)C2)c1 ZINC000822504546 742745660 /nfs/dbraw/zinc/74/56/60/742745660.db2.gz UYGTYUGWPOYCJT-CYBMUJFWSA-N 0 0 351.248 2.892 20 10 FFCDRN COCc1csc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000822687441 742769609 /nfs/dbraw/zinc/76/96/09/742769609.db2.gz BLUQWUWURGBLQY-UHFFFAOYSA-N 0 0 364.442 2.800 20 10 FFCDRN CSc1ccc(O)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000823292902 742875276 /nfs/dbraw/zinc/87/52/76/742875276.db2.gz UKLVAJYORWFGII-UHFFFAOYSA-N 0 0 358.463 2.881 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCCc3cscn3)C2)cc1 ZINC000823725340 742969676 /nfs/dbraw/zinc/96/96/76/742969676.db2.gz BAKLFLOPRDKKKR-AWEZNQCLSA-N 0 0 360.483 2.520 20 10 FFCDRN C[C@H](NC(=O)c1ccc(Cl)nc1N)c1ccc(N2CCOCC2)cc1 ZINC000823834692 742987673 /nfs/dbraw/zinc/98/76/73/742987673.db2.gz MSEIWQBVINBOPO-LBPRGKRZSA-N 0 0 360.845 2.645 20 10 FFCDRN CCc1nnc(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000823972148 743006202 /nfs/dbraw/zinc/00/62/02/743006202.db2.gz 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CCc1nocc1C(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000830544642 745378237 /nfs/dbraw/zinc/37/82/37/745378237.db2.gz SDRKSHKNCFCFDJ-CQSZACIVSA-N 0 0 363.845 2.990 20 10 FFCDRN CN(C)c1ccc(/C=C\CNc2ccc(CNS(C)(=O)=O)cc2)cc1 ZINC000835034097 745935087 /nfs/dbraw/zinc/93/50/87/745935087.db2.gz XDELOWRTOYPTOP-PLNGDYQASA-N 0 0 359.495 2.927 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](F)C3)cc2F)C[C@H](C)O1 ZINC000836240087 746172147 /nfs/dbraw/zinc/17/21/47/746172147.db2.gz CHGMMRVEASTWKU-VNHYZAJKSA-N 0 0 353.413 2.693 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](F)C3)cc2F)C[C@@H](C)O1 ZINC000836240086 746172151 /nfs/dbraw/zinc/17/21/51/746172151.db2.gz CHGMMRVEASTWKU-UMVBOHGHSA-N 0 0 353.413 2.693 20 10 FFCDRN Cc1nccnc1CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000836486571 746235344 /nfs/dbraw/zinc/23/53/44/746235344.db2.gz GKRUERILVSOYQZ-UHFFFAOYSA-N 0 0 355.225 2.839 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccnc(C(F)(F)F)c2)c(O)c1 ZINC000836555728 746253590 /nfs/dbraw/zinc/25/35/90/746253590.db2.gz 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/nfs/dbraw/zinc/65/56/42/746655642.db2.gz CXJGRHDZLRGBQO-OAHLLOKOSA-N 0 0 365.524 2.870 20 10 FFCDRN CC[C@@H]1C[C@H]1CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838665927 746689884 /nfs/dbraw/zinc/68/98/84/746689884.db2.gz RNOWLZVJKOSLPT-KGLIPLIRSA-N 0 0 353.413 2.647 20 10 FFCDRN COc1c([O-])c(C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000839191553 746799165 /nfs/dbraw/zinc/79/91/65/746799165.db2.gz AKTVSRJJLUGPNU-LLVKDONJSA-N 0 0 354.403 2.719 20 10 FFCDRN Cc1cccc(CS(=O)(=O)CCC(=O)N(C)Cc2ccccc2O)c1 ZINC000839541724 746851543 /nfs/dbraw/zinc/85/15/43/746851543.db2.gz HYOYGYLHMYNNGP-UHFFFAOYSA-N 0 0 361.463 2.664 20 10 FFCDRN CO[C@H](C)c1nsc(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000840325646 747065917 /nfs/dbraw/zinc/06/59/17/747065917.db2.gz KEJWVAUKXAIRFL-SNVBAGLBSA-N 0 0 370.425 2.972 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CS[C@@H](C)C3)CC2)cc1F ZINC000840416971 747088142 /nfs/dbraw/zinc/08/81/42/747088142.db2.gz GXPQUTQXYCZXGK-QWHCGFSZSA-N 0 0 353.463 2.560 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCCC(C)(C)S(C)(=O)=O ZINC000840428030 747090879 /nfs/dbraw/zinc/09/08/79/747090879.db2.gz KQMNNZGTJGNTCJ-UHFFFAOYSA-N 0 0 370.515 2.917 20 10 FFCDRN C[C@@H]1C[C@@H](CNC(=O)NCc2cc(Br)ccc2O)[C@H](C)O1 ZINC000840431241 747091370 /nfs/dbraw/zinc/09/13/70/747091370.db2.gz ABSVFFKMXRFLSC-VWYCJHECSA-N 0 0 357.248 2.767 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCO[C@@H](C(F)F)C1 ZINC000840481919 747104408 /nfs/dbraw/zinc/10/44/08/747104408.db2.gz QAKGLQIZXXAZDE-XJKSGUPXSA-N 0 0 355.429 2.668 20 10 FFCDRN Cn1[nH]cnc1=NCc1ccc(N2CCCCC2)c(Br)c1 ZINC000840879616 747210437 /nfs/dbraw/zinc/21/04/37/747210437.db2.gz RASNRTVIJSMYIY-UHFFFAOYSA-N 0 0 350.264 2.602 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cc2c(cn1)CCC2 ZINC000840900200 747218981 /nfs/dbraw/zinc/21/89/81/747218981.db2.gz BADWPNVWRHDLQX-UHFFFAOYSA-N 0 0 357.797 2.898 20 10 FFCDRN Cc1cc(O)c(CN2CCc3ccc(S(N)(=O)=O)cc32)c(Cl)c1 ZINC000840936647 747234414 /nfs/dbraw/zinc/23/44/14/747234414.db2.gz 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ZINC000842242312 747554339 /nfs/dbraw/zinc/55/43/39/747554339.db2.gz QHIIIQOUTDXEOD-ZDUSSCGKSA-N 0 0 359.857 2.801 20 10 FFCDRN CCn1ccnc1[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842256133 747558030 /nfs/dbraw/zinc/55/80/30/747558030.db2.gz GKWWYQGTJDANQJ-NSHDSACASA-N 0 0 362.817 2.787 20 10 FFCDRN CC[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(F)cc1[O-] ZINC000842882431 747713008 /nfs/dbraw/zinc/71/30/08/747713008.db2.gz ABXOCJCCTZGXIV-DZGCQCFKSA-N 0 0 365.426 2.807 20 10 FFCDRN CC[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(F)cc1[O-] ZINC000842882434 747713254 /nfs/dbraw/zinc/71/32/54/747713254.db2.gz ABXOCJCCTZGXIV-UKRRQHHQSA-N 0 0 365.426 2.807 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCC(=O)C1 ZINC000843808823 747900137 /nfs/dbraw/zinc/90/01/37/747900137.db2.gz SLWGURVPBDSRNB-QWHCGFSZSA-N 0 0 352.381 2.742 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1O ZINC000843935416 747936464 /nfs/dbraw/zinc/93/64/64/747936464.db2.gz 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Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1ccc(O)c(O)c1 ZINC000182524535 971035620 /nfs/dbraw/zinc/03/56/20/971035620.db2.gz YSVNWNMHOHDEKF-UHFFFAOYSA-N 0 0 369.396 2.898 20 10 FFCDRN O=C1CCc2nc(NCc3cc(F)c(N4CCOCC4)c(F)c3)ccc21 ZINC000840326020 971074731 /nfs/dbraw/zinc/07/47/31/971074731.db2.gz PSSISQRQSSMZLD-UHFFFAOYSA-N 0 0 359.376 2.937 20 10 FFCDRN CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1c(O)cccc1Cl ZINC001275837804 1013060866 /nfs/dbraw/zinc/06/08/66/1013060866.db2.gz NNAXVYQYEURYFD-BFUOFWGJSA-N 0 0 364.873 2.980 20 10 FFCDRN Cc1cc(C(=O)N(C)C[C@H](O)C(F)(F)F)c(C)n1-c1ccc(C#N)cc1 ZINC000186101484 971338572 /nfs/dbraw/zinc/33/85/72/971338572.db2.gz FSKYLRWXFRAWMB-INIZCTEOSA-N 0 0 365.355 2.961 20 10 FFCDRN CNC(=O)[C@@H](NC(=O)CNc1ccccc1NC(C)C)c1ccccc1 ZINC000871846117 1013083517 /nfs/dbraw/zinc/08/35/17/1013083517.db2.gz RPDGXPMVDZLBAR-IBGZPJMESA-N 0 0 354.454 2.522 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CNC(=O)Nc1ccccc1 ZINC000840554909 971558853 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CN(C)c1ccc(CN(C)C(=O)c2ccc([C@H]3CCC(=O)N3)cc2)cc1 ZINC000877976955 1014795098 /nfs/dbraw/zinc/79/50/98/1014795098.db2.gz SXAAGYHNFUBXBF-LJQANCHMSA-N 0 0 351.450 2.976 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2ccc(O)cc2O)C(C)(C)C1 ZINC000910958025 982100068 /nfs/dbraw/zinc/10/00/68/982100068.db2.gz VYCWBCMZXRAKLM-AWEZNQCLSA-N 0 0 364.442 2.607 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3nnc(-c4ccco4)o3)C2)cc1 ZINC000911275510 982186381 /nfs/dbraw/zinc/18/63/81/982186381.db2.gz HNHKNNHQVHKUTQ-CYBMUJFWSA-N 0 0 368.393 2.595 20 10 FFCDRN C[C@@H]1CN(c2cccc(F)c2)CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956163 982464022 /nfs/dbraw/zinc/46/40/22/982464022.db2.gz XDTIAWRZMVZRSO-OAHLLOKOSA-N 0 0 356.445 2.871 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000841955868 982465858 /nfs/dbraw/zinc/46/58/58/982465858.db2.gz QBVWZHOWKLMJBH-UHFFFAOYSA-N 0 0 353.466 2.547 20 10 FFCDRN CCN(C[C@@H]1COc2ccccc2O1)C(=O)NCCc1ccc(N)cc1 ZINC000841962053 982476634 /nfs/dbraw/zinc/47/66/34/982476634.db2.gz 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C[C@H]1CCCc2ncc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)n21 ZINC000844340768 997796012 /nfs/dbraw/zinc/79/60/12/997796012.db2.gz CWUJKOQVXXTDQU-AWEZNQCLSA-N 0 0 372.444 2.686 20 10 FFCDRN CCC(=O)C(=O)Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001143968990 997882798 /nfs/dbraw/zinc/88/27/98/997882798.db2.gz LDEMOQBCYZSTNM-UHFFFAOYSA-N 0 0 354.454 2.759 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCNc2ccccn2)cc1F ZINC000731402372 997891770 /nfs/dbraw/zinc/89/17/70/997891770.db2.gz VOGJFYKONYYLDP-UHFFFAOYSA-N 0 0 359.449 2.978 20 10 FFCDRN COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1O)[C@H]1CCC[C@H](OC)C1 ZINC000844447845 997896205 /nfs/dbraw/zinc/89/62/05/997896205.db2.gz WEPKHIFSHVKIHD-YLQAJVPDSA-N 0 0 367.417 2.570 20 10 FFCDRN COC(=O)c1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1OC ZINC000844778669 998137917 /nfs/dbraw/zinc/13/79/17/998137917.db2.gz RDJYRUBETOGDLZ-UHFFFAOYSA-N 0 0 357.410 2.870 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc3c2CC(=O)CC3)cc1 ZINC000844857311 998170467 /nfs/dbraw/zinc/17/04/67/998170467.db2.gz SYUZJVPNKJCNHU-UHFFFAOYSA-N 0 0 366.461 2.961 20 10 FFCDRN Cc1cc(CCNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c(C)n1-c1ccccc1 ZINC000844866299 998182694 /nfs/dbraw/zinc/18/26/94/998182694.db2.gz BSPOFEWZJXIKKW-LZJCXSABSA-N 0 0 371.506 2.551 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000844853717 998196543 /nfs/dbraw/zinc/19/65/43/998196543.db2.gz COPFCLNGORCMSZ-UHFFFAOYSA-N 0 0 357.410 2.741 20 10 FFCDRN CO[C@@H]1CCCC[C@H]1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000844928291 998235447 /nfs/dbraw/zinc/23/54/47/998235447.db2.gz WMTPDKODQAVFHR-ATZDWAIDSA-N 0 0 361.486 2.841 20 10 FFCDRN COc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(O)c1OC ZINC001599563050 998235479 /nfs/dbraw/zinc/23/54/79/998235479.db2.gz GHKABJIISNUWFY-JKSUJKDBSA-N 0 0 357.406 2.710 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@H](C)Cn2ccnc2C)cc1 ZINC000844939080 998243630 /nfs/dbraw/zinc/24/36/30/998243630.db2.gz MQTCYWDSGFAOLV-INIZCTEOSA-N 0 0 373.501 2.614 20 10 FFCDRN COC[C@@H](NC(=O)N(C)CCN(C)c1ccc(OC)cc1)c1ccco1 ZINC000845019258 998297141 /nfs/dbraw/zinc/29/71/41/998297141.db2.gz FGFBOXCABFCYFA-QGZVFWFLSA-N 0 0 361.442 2.754 20 10 FFCDRN C[C@H](NC(=O)c1cnn2ccccc12)c1ccc(N2CCOCC2)cc1 ZINC000731979577 998381778 /nfs/dbraw/zinc/38/17/78/998381778.db2.gz HFGULMMFZOONBO-HNNXBMFYSA-N 0 0 350.422 2.662 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCCc2ccc(C)cn2)cc1 ZINC000845250925 998437531 /nfs/dbraw/zinc/43/75/31/998437531.db2.gz ICIQCQZEKNHZMC-UHFFFAOYSA-N 0 0 356.470 2.719 20 10 FFCDRN COC(=O)Cc1ccc(NCc2cc(Br)ccc2O)nc1 ZINC001171174075 998459097 /nfs/dbraw/zinc/45/90/97/998459097.db2.gz GMULQOLIKSGKMG-UHFFFAOYSA-N 0 0 351.200 2.877 20 10 FFCDRN COc1nc(C)nc(NCc2cc(Br)ccc2O)c1[N+](=O)[O-] ZINC001171174092 998461393 /nfs/dbraw/zinc/46/13/93/998461393.db2.gz HMPIUDWLINNVJR-UHFFFAOYSA-N 0 0 369.175 2.782 20 10 FFCDRN COc1nc(NCc2cc(Br)ccc2O)nc(C)c1[N+](=O)[O-] ZINC001171174171 998463889 /nfs/dbraw/zinc/46/38/89/998463889.db2.gz LFGNCSOOROYSQQ-UHFFFAOYSA-N 0 0 369.175 2.782 20 10 FFCDRN CCOC[C@H]1CN(Cc2c(O)cc(O)cc2O)Cc2nn(CC3CC3)cc21 ZINC001144509965 998623485 /nfs/dbraw/zinc/62/34/85/998623485.db2.gz ONJIBHDSDCLKHD-CQSZACIVSA-N 0 0 373.453 2.546 20 10 FFCDRN CNC(=O)c1ccc(N(C)CCN(C)c2ccc(OC)cc2)c([N+](=O)[O-])c1 ZINC000845673125 998628218 /nfs/dbraw/zinc/62/82/18/998628218.db2.gz PXJLBUDLNDCTNU-UHFFFAOYSA-N 0 0 372.425 2.536 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCCc3c2ccc(=O)n3C)cc1 ZINC000845760007 998649980 /nfs/dbraw/zinc/64/99/80/998649980.db2.gz IHUGJHVKPSSXJC-GOSISDBHSA-N 0 0 368.481 2.670 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2(Cn3cnnn3)CCCCC2)c1 ZINC000845834180 998670133 /nfs/dbraw/zinc/67/01/33/998670133.db2.gz QZSCXXKKRWTCHN-CQSZACIVSA-N 0 0 373.457 2.605 20 10 FFCDRN C[C@H]1[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC[C@H]1CC(=O)[O-] ZINC001594183806 998710934 /nfs/dbraw/zinc/71/09/34/998710934.db2.gz AKHMYFYYMDNGSO-MOXGXCLJSA-N 0 0 360.498 2.874 20 10 FFCDRN Cc1cc(CCNC(=O)C2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000732954067 998830222 /nfs/dbraw/zinc/83/02/22/998830222.db2.gz WFMOKDOYKSXCBP-UHFFFAOYSA-N 0 0 374.506 2.578 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc3c([nH]c2=O)CCC3)c1 ZINC000733650987 999038758 /nfs/dbraw/zinc/03/87/58/999038758.db2.gz DZFFHFKLRZOXDZ-LLVKDONJSA-N 0 0 357.410 2.551 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCC(=O)Nc2ccccc2)c1 ZINC000733653415 999038896 /nfs/dbraw/zinc/03/88/96/999038896.db2.gz HUBUJUQENJTCGT-CYBMUJFWSA-N 0 0 357.410 2.790 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c1 ZINC000734061660 999187317 /nfs/dbraw/zinc/18/73/17/999187317.db2.gz QTASVHVAMSSBOS-UHFFFAOYSA-N 0 0 355.394 2.632 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCCCOc2ccccc2OC)c1 ZINC000734071717 999190703 /nfs/dbraw/zinc/19/07/03/999190703.db2.gz VCDVATGYOOOCJC-UHFFFAOYSA-N 0 0 360.410 2.678 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccccc2OCC(C)C)c1 ZINC000734073733 999190996 /nfs/dbraw/zinc/19/09/96/999190996.db2.gz APXFOVANUOIJLS-UHFFFAOYSA-N 0 0 372.421 2.691 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(N2CCNC2=O)c(C)c1 ZINC000734471008 999299879 /nfs/dbraw/zinc/29/98/79/999299879.db2.gz KMERUPSSNZGQJE-UHFFFAOYSA-N 0 0 366.465 2.829 20 10 FFCDRN CCc1noc(C)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000735827822 999497010 /nfs/dbraw/zinc/49/70/10/999497010.db2.gz CUORUSCASJKNGS-UHFFFAOYSA-N 0 0 357.454 2.684 20 10 FFCDRN CN(C)[C@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738145131 999622940 /nfs/dbraw/zinc/62/29/40/999622940.db2.gz OJVJXFVYEHOMFF-INIZCTEOSA-N 0 0 354.450 2.855 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(N2CCCCC2)n1 ZINC000739692722 999652689 /nfs/dbraw/zinc/65/26/89/999652689.db2.gz FKPCYADDHUKHGY-UHFFFAOYSA-N 0 0 365.481 2.997 20 10 FFCDRN O=C(NCc1ccccc1O)c1cn(-c2cccc(C(F)(F)F)c2)nn1 ZINC000740083143 999658744 /nfs/dbraw/zinc/65/87/44/999658744.db2.gz DMIQHQNWGCSXPR-UHFFFAOYSA-N 0 0 362.311 2.922 20 10 FFCDRN CCOC(=O)[C@@H]1CN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)CCO1 ZINC000741250550 999714564 /nfs/dbraw/zinc/71/45/64/999714564.db2.gz WPPZHZCOXSSVRJ-FQEVSTJZSA-N 0 0 370.449 2.541 20 10 FFCDRN CCOC(=O)[C@H]1CCCN(C(=O)CN2CCCCc3cc(OC)ccc32)C1 ZINC000766269554 999718775 /nfs/dbraw/zinc/71/87/75/999718775.db2.gz LOLVCJAAUKHLGS-KRWDZBQOSA-N 0 0 374.481 2.640 20 10 FFCDRN CCC(CC)[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N1CCOCC1 ZINC000742058302 999753584 /nfs/dbraw/zinc/75/35/84/999753584.db2.gz WUZVBWBSJOJNHN-IBGZPJMESA-N 0 0 365.493 2.645 20 10 FFCDRN COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)cc1C(=O)OC ZINC000743228892 999807502 /nfs/dbraw/zinc/80/75/02/999807502.db2.gz DPWJWOLDKDLFES-UHFFFAOYSA-N 0 0 372.377 2.629 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1 ZINC000743413357 999818489 /nfs/dbraw/zinc/81/84/89/999818489.db2.gz VYPQVTKWUVTNER-CVEARBPZSA-N 0 0 355.390 2.592 20 10 FFCDRN CC1(C)[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)[C@@H]2CCCO[C@H]21 ZINC000743558607 999823254 /nfs/dbraw/zinc/82/32/54/999823254.db2.gz AOTUFCDZIGMEIX-IPMKNSEASA-N 0 0 373.497 2.526 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)N3CCC[C@H](C)[C@@H]3C)CC2)cc1 ZINC000743566862 999824846 /nfs/dbraw/zinc/82/48/46/999824846.db2.gz JYZFIIXSVCUVPE-ROUUACIJSA-N 0 0 374.529 2.647 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccccc2NC(C)=O)c1 ZINC000743642354 999827467 /nfs/dbraw/zinc/82/74/67/999827467.db2.gz OSTPIAFQKFYINW-GFCCVEGCSA-N 0 0 357.410 2.920 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000743719548 999830300 /nfs/dbraw/zinc/83/03/00/999830300.db2.gz GLINMLVNXKXUNU-OAHLLOKOSA-N 0 0 356.466 2.678 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NC3CCN(C(C)=O)CC3)c2C)cc1 ZINC000743775731 999831166 /nfs/dbraw/zinc/83/11/66/999831166.db2.gz HMPKSAHSHZGPTI-UHFFFAOYSA-N 0 0 369.465 2.843 20 10 FFCDRN COC[C@@](C)(O)C(=O)OCC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000745322095 999906584 /nfs/dbraw/zinc/90/65/84/999906584.db2.gz QXSWQJSRYPZWLL-HXUWFJFHSA-N 0 0 359.422 2.526 20 10 FFCDRN COc1cccc(CNC(=O)NCCc2cccc3cccnc32)c1O ZINC000745417376 999913189 /nfs/dbraw/zinc/91/31/89/999913189.db2.gz HNVYAGZRTZDEIC-UHFFFAOYSA-N 0 0 351.406 2.991 20 10 FFCDRN C[C@@H]1CC[C@@H](CCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000745708861 999926880 /nfs/dbraw/zinc/92/68/80/999926880.db2.gz MUQKVCPLBPVWME-QAPCUYQASA-N 0 0 362.470 2.602 20 10 FFCDRN CC(C)N1C(=O)CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1(C)C ZINC000745789032 999931142 /nfs/dbraw/zinc/93/11/42/999931142.db2.gz YUGLVCAQWIBJFF-UHFFFAOYSA-N 0 0 372.513 2.610 20 10 FFCDRN CCN1CCO[C@@H](C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)C1 ZINC000746117534 999950408 /nfs/dbraw/zinc/95/04/08/999950408.db2.gz FQHFZXFDNJWDBI-HXUWFJFHSA-N 0 0 371.481 2.595 20 10 FFCDRN Cc1csc(CCNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000065434199 999952585 /nfs/dbraw/zinc/95/25/85/999952585.db2.gz APXQZBWXRPWCAM-OAHLLOKOSA-N 0 0 374.510 2.891 20 10 FFCDRN Nc1cccc2c1C(=O)N(CN1CCCc3cc(OC(F)F)ccc31)C2=O ZINC000766352995 999986879 /nfs/dbraw/zinc/98/68/79/999986879.db2.gz VQQQWISUTMOSTH-UHFFFAOYSA-N 0 0 373.359 2.877 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cccc(CN2CCOCC2)c1 ZINC001168858524 1000002285 /nfs/dbraw/zinc/00/22/85/1000002285.db2.gz CHGWHYHFYIDRKK-UHFFFAOYSA-N 0 0 367.493 2.984 20 10 FFCDRN C[C@H](Cc1c(F)cccc1F)NC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000121354097 1000058432 /nfs/dbraw/zinc/05/84/32/1000058432.db2.gz FWQOMYAMRYHVJW-GFCCVEGCSA-N 0 0 362.376 2.877 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2cc(OC(F)F)n(C)n2)C2CC2)cc1 ZINC000767057362 1000097864 /nfs/dbraw/zinc/09/78/64/1000097864.db2.gz JFOANDUOHZTVSH-UHFFFAOYSA-N 0 0 364.396 2.892 20 10 FFCDRN CCc1cccnc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000767069216 1000098633 /nfs/dbraw/zinc/09/86/33/1000098633.db2.gz MSYCONFJISAJQE-UHFFFAOYSA-N 0 0 355.438 2.525 20 10 FFCDRN CCOC(=O)c1cnc(C)c(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000767793842 1000145943 /nfs/dbraw/zinc/14/59/43/1000145943.db2.gz GVZROBFTRISLJN-GFCCVEGCSA-N 0 0 358.394 2.772 20 10 FFCDRN CCOc1cccc(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1O ZINC000845998566 1000192350 /nfs/dbraw/zinc/19/23/50/1000192350.db2.gz DBULXBBWNJGORG-LJQANCHMSA-N 0 0 366.461 2.996 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CCO[C@@H](C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC001356036111 1055235239 /nfs/dbraw/zinc/23/52/39/1055235239.db2.gz AEXHMLWULJIYAV-LJQANCHMSA-N 0 0 364.461 2.874 20 10 FFCDRN CC(C)(C)OC(=O)c1cncc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000847209075 1055236278 /nfs/dbraw/zinc/23/62/78/1055236278.db2.gz DIRYFZMGZNBSAN-UHFFFAOYSA-N 0 0 373.409 2.812 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1C1CCCC1 ZINC001349556503 1055335830 /nfs/dbraw/zinc/33/58/30/1055335830.db2.gz SHKQGXVXDDXGLJ-JYJNAYRXSA-N 0 0 361.438 2.515 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)C(=O)Nc1cnn(C2CCCC2)c1 ZINC001338237713 1055349753 /nfs/dbraw/zinc/34/97/53/1055349753.db2.gz TWEXBOPWHNJNSA-UHFFFAOYSA-N 0 0 362.817 2.612 20 10 FFCDRN CCc1nc(C)ncc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001356165603 1055349976 /nfs/dbraw/zinc/34/99/76/1055349976.db2.gz NTPZVQPCLBYABB-AWEZNQCLSA-N 0 0 354.454 2.675 20 10 FFCDRN CCc1cccc(CNc2ccc(C(=O)NCCC(=O)OC)cc2)c1O ZINC000848919717 1055365573 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FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cnc2c(c1)NC(=O)CS2 ZINC001465953777 1063276789 /nfs/dbraw/zinc/27/67/89/1063276789.db2.gz JFUIWBLZCGVYKX-UHFFFAOYSA-N 0 0 369.446 2.640 20 10 FFCDRN C[C@H](CNC(=O)C[C@@H]1C[C@H]1C1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001494938259 1063414830 /nfs/dbraw/zinc/41/48/30/1063414830.db2.gz YKLNQNVTJVHOFK-WPGHFRTFSA-N 0 0 371.441 2.520 20 10 FFCDRN C[C@H](C(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1)S(C)(=O)=O ZINC001466397855 1063422297 /nfs/dbraw/zinc/42/22/97/1063422297.db2.gz ASOJBFLDPCGPKO-HUUCEWRRSA-N 0 0 361.463 2.915 20 10 FFCDRN Cc1[nH]c(=O)ccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001441786379 1063474397 /nfs/dbraw/zinc/47/43/97/1063474397.db2.gz QDSINFGCGGWJDR-CHWSQXEVSA-N 0 0 373.428 2.778 20 10 FFCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(N2CCCC2=O)c1 ZINC001442124343 1063502525 /nfs/dbraw/zinc/50/25/25/1063502525.db2.gz VJHLHMJUUFFFJW-CYBMUJFWSA-N 0 0 354.406 2.645 20 10 FFCDRN C[C@@H](Cn1ccnc1)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894654 1063587904 /nfs/dbraw/zinc/58/79/04/1063587904.db2.gz ZSWXICFJOOKYAP-AWEZNQCLSA-N 0 0 361.409 2.803 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-n2ccc(=O)[nH]2)cc1 ZINC001467099582 1063637570 /nfs/dbraw/zinc/63/75/70/1063637570.db2.gz MRIJJNONPVFTNY-LBPRGKRZSA-N 0 0 368.393 2.742 20 10 FFCDRN O=C(NCc1ncn(-c2ccccc2)n1)NCc1ccc(N2CC=CC2)cc1 ZINC001468967310 1064067779 /nfs/dbraw/zinc/06/77/79/1064067779.db2.gz FSEQRITXQPBUTA-UHFFFAOYSA-N 0 0 374.448 2.643 20 10 FFCDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1ccc(O)cc1O ZINC001469160764 1064101534 /nfs/dbraw/zinc/10/15/34/1064101534.db2.gz SHRJVJVNTDDIOS-UHFFFAOYSA-N 0 0 359.332 2.800 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1c(C(F)F)nc2cnccn21 ZINC001469876266 1064222505 /nfs/dbraw/zinc/22/25/05/1064222505.db2.gz DOZZEIYIFPUHDB-UHFFFAOYSA-N 0 0 352.728 2.956 20 10 FFCDRN CC(C)(C)OC(=O)NCCCCCC(=O)NCc1cccc(O)c1O ZINC001471642283 1064743017 /nfs/dbraw/zinc/74/30/17/1064743017.db2.gz QZZRGRXBFDQZRI-UHFFFAOYSA-N 0 0 352.431 2.799 20 10 FFCDRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1cccc(O)c1O ZINC001471642740 1064744065 /nfs/dbraw/zinc/74/40/65/1064744065.db2.gz YVYICJAIIQMALO-JTQLQIEISA-N 0 0 366.211 2.944 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1[nH]nc2ccc(Br)cc21 ZINC001471661204 1064748906 /nfs/dbraw/zinc/74/89/06/1064748906.db2.gz JNRLSDLNZNVNQB-UHFFFAOYSA-N 0 0 362.183 2.667 20 10 FFCDRN O=C(Cc1c(F)ccc(Br)c1F)NCc1cc(O)ccc1O ZINC001471661019 1064749709 /nfs/dbraw/zinc/74/97/09/1064749709.db2.gz DHPIAUJPKQCVON-UHFFFAOYSA-N 0 0 372.165 2.997 20 10 FFCDRN C[C@@H](C(=O)NCc1c(O)cccc1F)N(C(=O)OC(C)(C)C)C1CC1 ZINC001471976466 1064875751 /nfs/dbraw/zinc/87/57/51/1064875751.db2.gz ZUCFGFHYDXHRQF-NSHDSACASA-N 0 0 352.406 2.936 20 10 FFCDRN O=C(Cn1c2ccccc2nc1C(F)(F)F)NCc1c(O)cccc1O ZINC001472063011 1064913640 /nfs/dbraw/zinc/91/36/40/1064913640.db2.gz BVVSQNJYOQALGU-UHFFFAOYSA-N 0 0 365.311 2.783 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1nc(Br)sc1Cl ZINC001472063250 1064914225 /nfs/dbraw/zinc/91/42/25/1064914225.db2.gz FQSKFYVPNDQBJM-UHFFFAOYSA-N 0 0 363.620 2.900 20 10 FFCDRN Cc1ccc(-c2nnn(CC(=O)NCc3c(O)ccc4ccccc43)n2)cc1 ZINC001472086164 1064925316 /nfs/dbraw/zinc/92/53/16/1064925316.db2.gz OLLVGRQOFYHFAY-UHFFFAOYSA-N 0 0 373.416 2.824 20 10 FFCDRN Cc1ccc([C@H](CN2CCOCC2)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001473917159 1065418184 /nfs/dbraw/zinc/41/81/84/1065418184.db2.gz QRYBULHZVDTACT-IBGZPJMESA-N 0 0 371.437 2.772 20 10 FFCDRN CS(=O)(=O)Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC001474007795 1065437968 /nfs/dbraw/zinc/43/79/68/1065437968.db2.gz AVWBDUWOVMFOSY-UHFFFAOYSA-N 0 0 360.479 2.680 20 10 FFCDRN CS(=O)(=O)NCc1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC001474062474 1065448802 /nfs/dbraw/zinc/44/88/02/1065448802.db2.gz FMNLGFHRWBXXIB-UHFFFAOYSA-N 0 0 358.822 2.846 20 10 FFCDRN C[C@@](O)(C(=O)NCCc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC001576252514 1078210678 /nfs/dbraw/zinc/21/06/78/1078210678.db2.gz SDLDGUSXSDXGPE-KRWDZBQOSA-N 0 0 352.356 2.854 20 10 FFCDRN C[C@H](c1ccccc1)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC001576310554 1078214794 /nfs/dbraw/zinc/21/47/94/1078214794.db2.gz KMXVBAIRDJTKJY-QGZVFWFLSA-N 0 0 352.482 2.900 20 10 FFCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1ccncc1OC[C@H]1CCOC1 ZINC001474559445 1065551261 /nfs/dbraw/zinc/55/12/61/1065551261.db2.gz HMNOADLUNDQQHP-LBPRGKRZSA-N 0 0 350.365 2.771 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CSCN3)cc2Cl)C1 ZINC001576711210 1078264337 /nfs/dbraw/zinc/26/43/37/1078264337.db2.gz PHTXAWDHLPJYCB-IUODEOHRSA-N 0 0 353.919 2.855 20 10 FFCDRN CN(C)c1cc(F)c(CN(CCc2cn[nH]n2)CC(F)(F)F)cc1F ZINC001576757986 1078271621 /nfs/dbraw/zinc/27/16/21/1078271621.db2.gz QXMWIRSMQXCAGB-UHFFFAOYSA-N 0 0 363.334 2.756 20 10 FFCDRN Cc1ccc(NC(=O)N(C)c2ccc(N)cc2)c(OCC(=O)N(C)C)c1 ZINC001579720039 1078668845 /nfs/dbraw/zinc/66/88/45/1078668845.db2.gz QMNUOITXHUHNED-UHFFFAOYSA-N 0 0 356.426 2.713 20 10 FFCDRN Nc1ccc(OC(=O)[C@H]2C[C@@H](F)CN2C(=O)OCc2ccccc2)cc1 ZINC001580449686 1078806323 /nfs/dbraw/zinc/80/63/23/1078806323.db2.gz RRRXJUVDKOFFRQ-RHSMWYFYSA-N 0 0 358.369 2.923 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCCc1coc(-c2ccc(F)cc2)n1 ZINC001584249273 1079327723 /nfs/dbraw/zinc/32/77/23/1079327723.db2.gz FVLNTPSDLJGYHB-UHFFFAOYSA-N 0 0 356.353 2.793 20 10 FFCDRN Cc1cc(C(=O)NCc2nc(C(N)=O)co2)c(C)n1-c1ccc(Cl)cc1 ZINC001584230460 1079326038 /nfs/dbraw/zinc/32/60/38/1079326038.db2.gz RBPZPRIDTNGTAS-UHFFFAOYSA-N 0 0 372.812 2.764 20 10 FFCDRN O=C(Nc1ccc(O[C@H]2CC(=O)N2)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001556589377 1075755756 /nfs/dbraw/zinc/75/57/56/1075755756.db2.gz ICGJLORIRMLTRF-KRWDZBQOSA-N 0 0 370.386 2.790 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)c3cnc(N)c([N+](=O)[O-])c3)cc2)CC1 ZINC001585540019 1079473610 /nfs/dbraw/zinc/47/36/10/1079473610.db2.gz AUYUTPBUTAPQKB-UHFFFAOYSA-N 0 0 369.425 2.738 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2n[nH]c3c2C[C@H](C)CC3)cc1 ZINC001557357713 1075842545 /nfs/dbraw/zinc/84/25/45/1075842545.db2.gz YHNVUMPRULDVDD-CQSZACIVSA-N 0 0 356.470 2.752 20 10 FFCDRN CC(C)c1c(C(=O)NCc2cccc(O)c2O)cnn1-c1ccccn1 ZINC001558159585 1075952734 /nfs/dbraw/zinc/95/27/34/1075952734.db2.gz IEOCXCKVPASFBE-UHFFFAOYSA-N 0 0 352.394 2.732 20 10 FFCDRN Cc1cc(C(=O)N[C@H](CO)C[C@H]2CCCO2)c(C)n1-c1ccc(F)cc1 ZINC001558387879 1075995544 /nfs/dbraw/zinc/99/55/44/1075995544.db2.gz MXHAXJLCOFERNL-FUHWJXTLSA-N 0 0 360.429 2.893 20 10 FFCDRN COC(=O)c1cc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)ccc1N(C)C ZINC001559456845 1076162328 /nfs/dbraw/zinc/16/23/28/1076162328.db2.gz RFYOANKVATYLBB-JJRVBVJISA-N 0 0 362.470 2.859 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@H]1CCO[C@@H](C)C1 ZINC001561102627 1076332635 /nfs/dbraw/zinc/33/26/35/1076332635.db2.gz RMMVUVXKVNPNFA-RDJZCZTQSA-N 0 0 354.516 2.719 20 10 FFCDRN CCc1nn(C)cc1S(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001561819740 1076428413 /nfs/dbraw/zinc/42/84/13/1076428413.db2.gz HUAZMAPRACJLBK-UHFFFAOYSA-N 0 0 372.494 2.869 20 10 FFCDRN NC(=O)c1cc2cc(NC(=O)NCc3cc(Cl)ccc3O)ccc2[nH]1 ZINC001563152284 1076524161 /nfs/dbraw/zinc/52/41/61/1076524161.db2.gz BKKKYIKOKRNJAC-UHFFFAOYSA-N 0 0 358.785 2.948 20 10 FFCDRN Cc1cc(CNC(=O)N[C@@H](C)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC001563470715 1076558259 /nfs/dbraw/zinc/55/82/59/1076558259.db2.gz JPQVIISEMKSTOG-INIZCTEOSA-N 0 0 370.497 2.614 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]2C)cc1 ZINC001563693363 1076576248 /nfs/dbraw/zinc/57/62/48/1076576248.db2.gz NVCHJTLSOOLOCL-HRCADAONSA-N 0 0 360.502 2.682 20 10 FFCDRN O=C(NCc1ccc2c(=O)cc[nH]c2c1)NCc1cc(Cl)ccc1O ZINC001564891788 1076668214 /nfs/dbraw/zinc/66/82/14/1076668214.db2.gz AIJFAZZZBBQVDV-UHFFFAOYSA-N 0 0 357.797 2.887 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1C[C@H](OC)C1 ZINC001565157225 1076691968 /nfs/dbraw/zinc/69/19/68/1076691968.db2.gz BVESFRMUMSBPNU-JOCQHMNTSA-N 0 0 357.248 2.864 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001565265898 1076706041 /nfs/dbraw/zinc/70/60/41/1076706041.db2.gz AYWOPQIBPZXJNI-SFHVURJKSA-N 0 0 372.513 2.684 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCNC(=O)[C@@H]1c1cccs1 ZINC001566155994 1076926380 /nfs/dbraw/zinc/92/63/80/1076926380.db2.gz HPVDADCJGLZVSX-HNNXBMFYSA-N 0 0 374.443 2.687 20 10 FFCDRN COc1cc2[nH]cc(C(=O)N(C)Cc3ccccc3O)c(=O)c2c(OC)c1 ZINC001566303888 1076943550 /nfs/dbraw/zinc/94/35/50/1076943550.db2.gz JDFIBLWJLMZZOB-UHFFFAOYSA-N 0 0 368.389 2.523 20 10 FFCDRN CCn1ncnc1-c1ccc(C(=O)NCc2cccc(OC)c2O)cc1 ZINC001566374682 1076952840 /nfs/dbraw/zinc/95/28/40/1076952840.db2.gz QGRJUDVHOIKONZ-UHFFFAOYSA-N 0 0 352.394 2.609 20 10 FFCDRN Cc1c(NC(=O)c2ccc(N=NC(N)=O)cc2)cccc1N1CCNC1=O ZINC001568162694 1077075026 /nfs/dbraw/zinc/07/50/26/1077075026.db2.gz GDIVGOXPGNNDSO-UHFFFAOYSA-N 0 0 366.381 2.939 20 10 FFCDRN O=C(Cc1ccc(OCc2ccncc2)cc1)NCc1ccc(O)cc1O ZINC001570463491 1077207521 /nfs/dbraw/zinc/20/75/21/1077207521.db2.gz RAIKXGCOTXWBJA-UHFFFAOYSA-N 0 0 364.401 2.931 20 10 FFCDRN Nc1cccnc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001587150845 1079746068 /nfs/dbraw/zinc/74/60/68/1079746068.db2.gz JWQOBODGCURMMG-LBPRGKRZSA-N 0 0 362.380 2.664 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H]3CCOC[C@@H]3OC)c2C)cc1 ZINC001589194425 1080409112 /nfs/dbraw/zinc/40/91/12/1080409112.db2.gz HCDHFAZVNJJCFH-PMACEKPBSA-N 0 0 372.465 2.979 20 10 FFCDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)C1 ZINC001589616214 1080635602 /nfs/dbraw/zinc/63/56/02/1080635602.db2.gz ODISCSQUKIIIRC-QGZVFWFLSA-N 0 0 360.498 2.971 20 10 FFCDRN C[C@H](CCc1ccc(O)cc1)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589836939 1080788781 /nfs/dbraw/zinc/78/87/81/1080788781.db2.gz RAGXAOLYIRHOMB-CHWSQXEVSA-N 0 0 353.426 2.950 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-])c1cnn(CC2CCC2)c1 ZINC001589953798 1080900068 /nfs/dbraw/zinc/90/00/68/1080900068.db2.gz VYCSSHGOQGWHHR-OLZOCXBDSA-N 0 0 367.457 2.981 20 10 FFCDRN Cn1c2ccc(F)cc2c(C[NH2+][C@@H](CO)Cc2ccccc2)c1C(=O)[O-] ZINC001600902665 1126220772 /nfs/dbraw/zinc/22/07/72/1126220772.db2.gz ZWWKBQBROUWKGZ-OAHLLOKOSA-N 0 0 356.397 2.709 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](c3nccn3C)C2)cc1F ZINC000373114970 512179189 /nfs/dbraw/zinc/17/91/89/512179189.db2.gz FZNHOWOQUUSOOU-HNNXBMFYSA-N 0 0 359.449 2.714 20 10 FFCDRN Cc1cc(C(=O)N2CCCS(=O)(=O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000371128420 512231332 /nfs/dbraw/zinc/23/13/32/512231332.db2.gz LCUWCVGTRBAZSV-UHFFFAOYSA-N 0 0 374.506 2.972 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2COc3cc(F)cc(F)c32)c1 ZINC000373284101 512255277 /nfs/dbraw/zinc/25/52/77/512255277.db2.gz JYYABRNCTBBIMJ-CYBMUJFWSA-N 0 0 350.321 2.612 20 10 FFCDRN CCOc1ccccc1C(=O)NCCCC(=O)N(C)Cc1ccccc1O ZINC000053915085 506461107 /nfs/dbraw/zinc/46/11/07/506461107.db2.gz IJDJZPZABDNHFV-UHFFFAOYSA-N 0 0 370.449 2.960 20 10 FFCDRN COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(OC)c1 ZINC000054354826 506539681 /nfs/dbraw/zinc/53/96/81/506539681.db2.gz AMWZGKOZMBOWSH-UHFFFAOYSA-N 0 0 371.437 2.862 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCCNC(=O)OC(C)(C)C ZINC000066702255 506614589 /nfs/dbraw/zinc/61/45/89/506614589.db2.gz KKMYPSLGNSYQBM-UHFFFAOYSA-N 0 0 351.447 2.839 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000066700792 506614845 /nfs/dbraw/zinc/61/48/45/506614845.db2.gz DOBNRLAUFRJVAW-UHFFFAOYSA-N 0 0 369.465 2.972 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000043138609 506704700 /nfs/dbraw/zinc/70/47/00/506704700.db2.gz JHIBQAJQHRZCTK-UHFFFAOYSA-N 0 0 361.486 2.569 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)cc1F ZINC000055523616 506769741 /nfs/dbraw/zinc/76/97/41/506769741.db2.gz FOYBTIWEWQJFDX-UHFFFAOYSA-N 0 0 350.340 2.871 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C2CCN(CC(F)(F)F)CC2)cc1 ZINC000044915494 506900993 /nfs/dbraw/zinc/90/09/93/506900993.db2.gz PAQLPIPFYLAAJI-UHFFFAOYSA-N 0 0 357.420 2.985 20 10 FFCDRN Cc1cc(C(=O)N(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000067508782 506904955 /nfs/dbraw/zinc/90/49/55/506904955.db2.gz ASXWXBBDSROWRF-GOSISDBHSA-N 0 0 372.490 2.886 20 10 FFCDRN O=C(NCc1ccc(O)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000045530437 506978848 /nfs/dbraw/zinc/97/88/48/506978848.db2.gz 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/nfs/dbraw/zinc/63/53/81/507635381.db2.gz MHHIOWOBBAKFCM-UHFFFAOYSA-N 0 0 372.899 2.717 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccccc1CN1C(=O)CCC1=O ZINC000063289956 507712228 /nfs/dbraw/zinc/71/22/28/507712228.db2.gz QRHCRGKGUZIVBE-UHFFFAOYSA-N 0 0 367.405 2.705 20 10 FFCDRN COc1ccnc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)n1 ZINC000052426878 507808898 /nfs/dbraw/zinc/80/88/98/507808898.db2.gz RRMWHOXERNYWBK-UHFFFAOYSA-N 0 0 368.359 2.953 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCCC3)nc2)cc1 ZINC000031730190 507821436 /nfs/dbraw/zinc/82/14/36/507821436.db2.gz OTTARRZWCVRGFS-UHFFFAOYSA-N 0 0 353.470 2.747 20 10 FFCDRN COc1cccc(CNc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cn2)c1O ZINC000091479376 507988992 /nfs/dbraw/zinc/98/89/92/507988992.db2.gz CVYPMCSZNMJJBK-UHFFFAOYSA-N 0 0 352.394 2.775 20 10 FFCDRN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCC(C)(C)CC1 ZINC000092431835 508070429 /nfs/dbraw/zinc/07/04/29/508070429.db2.gz MXKWPOIZNFFBRC-UHFFFAOYSA-N 0 0 354.472 2.805 20 10 FFCDRN COC(=O)CN(Cc1nccn1C(F)F)Cc1cc(Cl)ccc1O ZINC000111238303 508081163 /nfs/dbraw/zinc/08/11/63/508081163.db2.gz BUYNWIDSKQGMKQ-UHFFFAOYSA-N 0 0 359.760 2.812 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 ZINC000081203262 508147229 /nfs/dbraw/zinc/14/72/29/508147229.db2.gz GJVDNHQARLNPHV-GFCCVEGCSA-N 0 0 351.353 2.983 20 10 FFCDRN Cc1ccc(O)c(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000093608143 508149982 /nfs/dbraw/zinc/14/99/82/508149982.db2.gz HCWUMGBBSYEVCX-UHFFFAOYSA-N 0 0 355.394 2.567 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(O)c1 ZINC000112442653 508185759 /nfs/dbraw/zinc/18/57/59/508185759.db2.gz XTIPIXRNGPWVQY-CQSZACIVSA-N 0 0 373.428 2.928 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1F ZINC000084814752 508294068 /nfs/dbraw/zinc/29/40/68/508294068.db2.gz OHEDMCYJUKWSPU-UHFFFAOYSA-N 0 0 359.357 2.705 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccn(C)c(=O)c2)cc1 ZINC000103413629 508311070 /nfs/dbraw/zinc/31/10/70/508311070.db2.gz DFNBFJGRYAICBH-UHFFFAOYSA-N 0 0 367.371 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/nfs/dbraw/zinc/78/97/29/508789729.db2.gz REPMLUNPCPYCOC-AWEZNQCLSA-N 0 0 360.845 2.861 20 10 FFCDRN COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000124297793 508811996 /nfs/dbraw/zinc/81/19/96/508811996.db2.gz VFVZLOMRTAPCSN-UHFFFAOYSA-N 0 0 356.426 2.557 20 10 FFCDRN COc1cc(O)c(CN(C)[C@@H]2CCN(c3ccccc3F)C2=O)cc1OC ZINC000160187906 508951368 /nfs/dbraw/zinc/95/13/68/508951368.db2.gz AGWDMMSDNCDTDT-MRXNPFEDSA-N 0 0 374.412 2.786 20 10 FFCDRN COc1cc(O)c(CN(C)[C@H]2CCN(c3ccccc3F)C2=O)cc1OC ZINC000160188046 508951471 /nfs/dbraw/zinc/95/14/71/508951471.db2.gz AGWDMMSDNCDTDT-INIZCTEOSA-N 0 0 374.412 2.786 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2ccn(CC(F)(F)F)n2)cc1F ZINC000160638812 509013261 /nfs/dbraw/zinc/01/32/61/509013261.db2.gz DEFUINDXEJMJJA-UHFFFAOYSA-N 0 0 359.327 2.972 20 10 FFCDRN COc1cc(N(C)CC(=O)NCc2ccc(F)cc2)cc(OC)c1OC ZINC000125781586 509029309 /nfs/dbraw/zinc/02/93/09/509029309.db2.gz SHSGJGJFFPEELF-UHFFFAOYSA-N 0 0 362.401 2.604 20 10 FFCDRN C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@]2(CCCOC2)O1 ZINC000373640042 512438099 /nfs/dbraw/zinc/43/80/99/512438099.db2.gz PXVBMRGXFYRUTN-BLLLJJGKSA-N 0 0 356.260 2.925 20 10 FFCDRN C[C@H]1CN(Cc2cc(Br)ccc2O)C[C@]2(CCCOC2)O1 ZINC000373640043 512438159 /nfs/dbraw/zinc/43/81/59/512438159.db2.gz PXVBMRGXFYRUTN-LRDDRELGSA-N 0 0 356.260 2.925 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2cn(C)nc2C(F)(F)F)cc1 ZINC000121601039 509179261 /nfs/dbraw/zinc/17/92/61/509179261.db2.gz ZTDWEJPDOJWGEI-UHFFFAOYSA-N 0 0 369.391 2.847 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)c1nnc2n1CCC2 ZINC000266870005 509232975 /nfs/dbraw/zinc/23/29/75/509232975.db2.gz ULYSAXSCIQUPKS-OAHLLOKOSA-N 0 0 370.501 2.972 20 10 FFCDRN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc(O)c(C)c3)cc21 ZINC000182475009 509256557 /nfs/dbraw/zinc/25/65/57/509256557.db2.gz AHWPAOWRUDVAEW-UHFFFAOYSA-N 0 0 360.435 2.801 20 10 FFCDRN C[C@@H](C[S@](C)=O)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000182571996 509311132 /nfs/dbraw/zinc/31/11/32/509311132.db2.gz 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509450507 /nfs/dbraw/zinc/45/05/07/509450507.db2.gz XOYKTQJJIGQNCQ-UHFFFAOYSA-N 0 0 372.494 2.857 20 10 FFCDRN O=C(NCc1cccc(CO)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264396202 509502784 /nfs/dbraw/zinc/50/27/84/509502784.db2.gz ISOYSHDXGLMMLG-LJQANCHMSA-N 0 0 370.449 2.775 20 10 FFCDRN Cc1cc([C@](C)(O)CNC(=O)NCc2ccc(N3CC=CC3)cc2)c(C)o1 ZINC000173291092 509508494 /nfs/dbraw/zinc/50/84/94/509508494.db2.gz GJPSAGOBNTWSPB-OAQYLSRUSA-N 0 0 369.465 2.980 20 10 FFCDRN COC(=O)c1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)ccn1 ZINC000267556937 509540460 /nfs/dbraw/zinc/54/04/60/509540460.db2.gz FJHDNKLKVAASSU-UHFFFAOYSA-N 0 0 353.422 2.739 20 10 FFCDRN COc1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000173393823 509571808 /nfs/dbraw/zinc/57/18/08/509571808.db2.gz BSAUBIYTFLSRMA-UHFFFAOYSA-N 0 0 354.406 2.535 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000189430975 509572799 /nfs/dbraw/zinc/57/27/99/509572799.db2.gz PHIJUVUTWPUKHX-UHFFFAOYSA-N 0 0 360.435 2.664 20 10 FFCDRN CNC(=O)CN1CCC([NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000192656679 509586471 /nfs/dbraw/zinc/58/64/71/509586471.db2.gz KLFBOEVNHGYKNU-JTQLQIEISA-N 0 0 360.285 2.560 20 10 FFCDRN C[C@H](COCC(F)(F)F)NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264567161 509602929 /nfs/dbraw/zinc/60/29/29/509602929.db2.gz QBRGFZHBTYAOMU-BTKRWWFXSA-N 0 0 372.387 2.620 20 10 FFCDRN CN(CCc1ccccn1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264567175 509603656 /nfs/dbraw/zinc/60/36/56/509603656.db2.gz QCQLAYMEWWYIED-JXMROGBWSA-N 0 0 351.450 2.633 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)C3(CCCCC3)C2)c1O ZINC000267870629 509651067 /nfs/dbraw/zinc/65/10/67/509651067.db2.gz CKKTYBYVWJUSPS-UHFFFAOYSA-N 0 0 369.458 2.667 20 10 FFCDRN CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186376815 509676879 /nfs/dbraw/zinc/67/68/79/509676879.db2.gz ULESMILHKUGTFQ-CYBMUJFWSA-N 0 0 358.479 2.632 20 10 FFCDRN CC(C)NC(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000267942852 509680214 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Nc1ccc(CCNC(=O)[C@@H](c2ccccc2)N2CCSCC2)cc1 ZINC000237945122 509782097 /nfs/dbraw/zinc/78/20/97/509782097.db2.gz GEKGEWWQCSEYFK-LJQANCHMSA-N 0 0 355.507 2.718 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000183468431 509809220 /nfs/dbraw/zinc/80/92/20/509809220.db2.gz BDZMSIQSOYNPNV-XIRDDKMYSA-N 0 0 374.481 2.574 20 10 FFCDRN CNc1nnc(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000183564252 509862681 /nfs/dbraw/zinc/86/26/81/509862681.db2.gz QOPWYUMINMJRDN-UHFFFAOYSA-N 0 0 359.499 2.675 20 10 FFCDRN CNC(=O)c1cccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000174008399 509901905 /nfs/dbraw/zinc/90/19/05/509901905.db2.gz OJCBCSYLCWMSEV-UHFFFAOYSA-N 0 0 367.449 2.630 20 10 FFCDRN Cc1cc(=O)n(C)cc1NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000268403875 509908952 /nfs/dbraw/zinc/90/89/52/509908952.db2.gz SDVVGDSMWQQZRA-UHFFFAOYSA-N 0 0 354.454 2.956 20 10 FFCDRN CC[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCO1 ZINC000180408972 509911734 /nfs/dbraw/zinc/91/17/34/509911734.db2.gz XFJCSCOCFTZVNA-HOCLYGCPSA-N 0 0 350.434 2.688 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cccc2cccnc21 ZINC000174063991 509930882 /nfs/dbraw/zinc/93/08/82/509930882.db2.gz UMFDHGARMSKIAI-UHFFFAOYSA-N 0 0 369.446 2.889 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnc4onc(C)c4c3)CC2)cc1F ZINC000177285454 509980013 /nfs/dbraw/zinc/98/00/13/509980013.db2.gz QGQYUOPJBKJJKU-UHFFFAOYSA-N 0 0 370.384 2.641 20 10 FFCDRN C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180601799 510008509 /nfs/dbraw/zinc/00/85/09/510008509.db2.gz VWZRGBNVPREYKO-DEYRLNKFSA-N 0 0 364.405 2.911 20 10 FFCDRN C[C@@H](NCc1nnc2n1CCCC2)c1ccc(Br)cc1O ZINC000183856320 510009708 /nfs/dbraw/zinc/00/97/08/510009708.db2.gz FAMKFYFVERUPHW-SNVBAGLBSA-N 0 0 351.248 2.933 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@]23CCOC3=O)cc1F ZINC000187061760 510033614 /nfs/dbraw/zinc/03/36/14/510033614.db2.gz RBYYECXKWXHPRK-LJQANCHMSA-N 0 0 363.433 2.663 20 10 FFCDRN COCC[S@@](=O)Cc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000265474997 510075899 /nfs/dbraw/zinc/07/58/99/510075899.db2.gz ZWAKEOMMXMAJCA-RUZDIDTESA-N 0 0 362.451 2.609 20 10 FFCDRN CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1cn(-c2ccccc2)nn1 ZINC000180856541 510145827 /nfs/dbraw/zinc/14/58/27/510145827.db2.gz ZJSAVJXDMVMUQG-PKNBQFBNSA-N 0 0 364.405 2.743 20 10 FFCDRN O=C(NCc1ccc(CO)c(F)c1)NCc1c(O)ccc2c1CCCC2 ZINC000174518217 510154757 /nfs/dbraw/zinc/15/47/57/510154757.db2.gz NXVTWQRDWBGSPG-UHFFFAOYSA-N 0 0 358.413 2.902 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(F)c(OC)c1 ZINC000190490882 510161823 /nfs/dbraw/zinc/16/18/23/510161823.db2.gz UUSPFJRBVDYSFR-UHFFFAOYSA-N 0 0 360.385 2.917 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@@H]3CC[C@@H](C)C3)cc2)CC1 ZINC000190571335 510215052 /nfs/dbraw/zinc/21/50/52/510215052.db2.gz HMVAKVVHPLCEDO-VQIMIIECSA-N 0 0 357.498 2.798 20 10 FFCDRN CC(C)NC(=O)CSc1ccccc1C(=O)NCc1ccccc1O ZINC000269135587 510253396 /nfs/dbraw/zinc/25/33/96/510253396.db2.gz JSJUBOUIIBXENS-UHFFFAOYSA-N 0 0 358.463 2.939 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Cn1cnc2sccc2c1=O ZINC000269157019 510262117 /nfs/dbraw/zinc/26/21/17/510262117.db2.gz NGAAXUDHMRSUJI-UHFFFAOYSA-N 0 0 357.435 2.602 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(N2CCCC2=O)CC1 ZINC000171632829 510264940 /nfs/dbraw/zinc/26/49/40/510264940.db2.gz IISGYEXGAGICOC-UHFFFAOYSA-N 0 0 370.497 2.583 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCc4[nH]c5ccccc5c4C3)cc2N1 ZINC000177809270 510265643 /nfs/dbraw/zinc/26/56/43/510265643.db2.gz QAOPUEGOCWALJR-UHFFFAOYSA-N 0 0 364.361 2.970 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269203773 510289510 /nfs/dbraw/zinc/28/95/10/510289510.db2.gz MOSICLGOILXXOQ-UHFFFAOYSA-N 0 0 354.450 2.669 20 10 FFCDRN CN(Cc1cn(C)nc1C(F)(F)F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181246754 510321592 /nfs/dbraw/zinc/32/15/92/510321592.db2.gz LGXOKEISPWIHGN-GQCTYLIASA-N 0 0 355.316 2.522 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1OC ZINC000181276533 510334557 /nfs/dbraw/zinc/33/45/57/510334557.db2.gz HWZKNGUVSDWLNL-LBPRGKRZSA-N 0 0 373.413 2.992 20 10 FFCDRN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187673042 510382252 /nfs/dbraw/zinc/38/22/52/510382252.db2.gz OAGNVYUSSXROQE-LLVKDONJSA-N 0 0 350.365 2.760 20 10 FFCDRN CN(c1ccc(CNS(=O)(=O)C[C@@H]2CCOC2)cc1)C1CCCCC1 ZINC000171962216 510475159 /nfs/dbraw/zinc/47/51/59/510475159.db2.gz NOMBSXIYCYYEDV-QGZVFWFLSA-N 0 0 366.527 2.911 20 10 FFCDRN Cn1nc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1OC(F)F ZINC000184721407 510483995 /nfs/dbraw/zinc/48/39/95/510483995.db2.gz BUHWQOHZZJMTJQ-UHFFFAOYSA-N 0 0 351.353 2.536 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1scnc1C ZINC000181589382 510487670 /nfs/dbraw/zinc/48/76/70/510487670.db2.gz ZXQRWKMDVICYNT-UHFFFAOYSA-N 0 0 354.815 2.626 20 10 FFCDRN Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)nnn1-c1ccccc1 ZINC000266324594 510518450 /nfs/dbraw/zinc/51/84/50/510518450.db2.gz HZZJCDBSJVWQCE-UHFFFAOYSA-N 0 0 363.421 2.681 20 10 FFCDRN COCCOC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000172061356 510523464 /nfs/dbraw/zinc/52/34/64/510523464.db2.gz JRGZBVWTJAMSAI-UHFFFAOYSA-N 0 0 361.486 2.624 20 10 FFCDRN Cc1ncncc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266357766 510536513 /nfs/dbraw/zinc/53/65/13/510536513.db2.gz GUSJXVLJSZKARN-CYBMUJFWSA-N 0 0 362.380 2.785 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(N2CCOC2=O)c1 ZINC000266377799 510549704 /nfs/dbraw/zinc/54/97/04/510549704.db2.gz WJFNJJIYWLBNAF-UHFFFAOYSA-N 0 0 367.405 2.748 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000172168197 510579821 /nfs/dbraw/zinc/57/98/21/510579821.db2.gz CWMHGFBMFGRDAR-WTGUMLROSA-N 0 0 358.482 2.828 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1O ZINC000266434702 510585442 /nfs/dbraw/zinc/58/54/42/510585442.db2.gz JPJJKPKLAQEMOS-LSDHHAIUSA-N 0 0 355.390 2.592 20 10 FFCDRN CN(CCc1cccs1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000266494464 510621935 /nfs/dbraw/zinc/62/19/35/510621935.db2.gz FVPMEADXFPPAPU-UHFFFAOYSA-N 0 0 359.495 2.969 20 10 FFCDRN Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191370224 510626201 /nfs/dbraw/zinc/62/62/01/510626201.db2.gz GRDOXEKCBBVYAD-INIZCTEOSA-N 0 0 353.825 2.864 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2nc3c(s2)COCC3)cc1F ZINC000172256637 510631542 /nfs/dbraw/zinc/63/15/42/510631542.db2.gz GFPXUWLOWWQKKV-UHFFFAOYSA-N 0 0 350.419 2.743 20 10 FFCDRN Oc1cc(OCc2ccccc2)ccc1CN1CCOC[C@]12CCOC2 ZINC000195016260 510632783 /nfs/dbraw/zinc/63/27/83/510632783.db2.gz ZCRQQZZKHORXIK-OAQYLSRUSA-N 0 0 355.434 2.963 20 10 FFCDRN CC1(C)[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)[C@@H]2CCO[C@H]21 ZINC000246926000 510750922 /nfs/dbraw/zinc/75/09/22/510750922.db2.gz NABFNIZNWHFTSW-RNIPGJKVSA-N 0 0 374.481 2.896 20 10 FFCDRN Cc1nn(C)c(C)c1CNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000266736251 510757967 /nfs/dbraw/zinc/75/79/67/510757967.db2.gz AXJYJMTYCITQFD-UHFFFAOYSA-N 0 0 355.486 2.977 20 10 FFCDRN C[C@](O)(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000182132586 510773907 /nfs/dbraw/zinc/77/39/07/510773907.db2.gz WZZWVQSKBHFFQL-NRFANRHFSA-N 0 0 372.440 2.576 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)Nc3ccccc3)cc2)CC1 ZINC000191738519 510809762 /nfs/dbraw/zinc/80/97/62/510809762.db2.gz YLFGNMIONYTOMC-UHFFFAOYSA-N 0 0 352.438 2.677 20 10 FFCDRN CCn1cc([C@H](C)NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000297268356 510880192 /nfs/dbraw/zinc/88/01/92/510880192.db2.gz DCVHEQIKFSFAFF-INIZCTEOSA-N 0 0 371.485 2.642 20 10 FFCDRN COc1cccc(CNC(=O)NCCc2cccc(C(F)(F)F)n2)c1O ZINC000297285310 510887216 /nfs/dbraw/zinc/88/72/16/510887216.db2.gz JPXUHVFJVAXZHE-UHFFFAOYSA-N 0 0 369.343 2.857 20 10 FFCDRN Cc1ncccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275787406 510917300 /nfs/dbraw/zinc/91/73/00/510917300.db2.gz WUSNNHDJEJOKIO-UHFFFAOYSA-N 0 0 354.454 2.832 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCCS(=O)(=O)C2)cc1F ZINC000293989446 510921324 /nfs/dbraw/zinc/92/13/24/510921324.db2.gz CVMCWTQYFRPIBL-OAHLLOKOSA-N 0 0 370.490 2.503 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C=C3CCCCC3)cc2)CC1 ZINC000276111116 510927300 /nfs/dbraw/zinc/92/73/00/510927300.db2.gz HQTATYNPWAHJJS-UHFFFAOYSA-N 0 0 355.482 2.862 20 10 FFCDRN CN(CCCCO)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000276377067 510934361 /nfs/dbraw/zinc/93/43/61/510934361.db2.gz CJBPGOXXYDPLFW-AWEZNQCLSA-N 0 0 371.428 2.671 20 10 FFCDRN COC(=O)[C@H](CC(F)(F)F)NCc1cc(Br)ccc1O ZINC000276381435 510934781 /nfs/dbraw/zinc/93/47/81/510934781.db2.gz AQZYYIIOONMTHC-VIFPVBQESA-N 0 0 356.138 2.738 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[S@](=O)CC2)cc1F ZINC000297420482 510938267 /nfs/dbraw/zinc/93/82/67/510938267.db2.gz YIUBIICRHNPYIF-HWRSSNJWSA-N 0 0 369.506 2.724 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCn3cnnc3[C@@H]2C)cc1F ZINC000276618891 510942675 /nfs/dbraw/zinc/94/26/75/510942675.db2.gz SQIXDOWJBUDWAC-ZDUSSCGKSA-N 0 0 360.437 2.550 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000276959641 510951190 /nfs/dbraw/zinc/95/11/90/510951190.db2.gz UMILHDVASQSJQH-UHFFFAOYSA-N 0 0 360.435 2.648 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CC12CCS(=O)(=O)CC2 ZINC000282383566 510954861 /nfs/dbraw/zinc/95/48/61/510954861.db2.gz CXSRASXZSBHTFF-INIZCTEOSA-N 0 0 365.495 2.736 20 10 FFCDRN CCO[C@H]1C[C@@]2(NC(=O)N(Cc3ccc(N4CCCC4)cc3)C2=O)C1(C)C ZINC000277249535 510957018 /nfs/dbraw/zinc/95/70/18/510957018.db2.gz HXKXDMGSWCMLLA-UWJYYQICSA-N 0 0 371.481 2.912 20 10 FFCDRN C[C@H]1C(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)N1C ZINC000277282165 510958017 /nfs/dbraw/zinc/95/80/17/510958017.db2.gz SYQDMTVVOWZHLE-WCQYABFASA-N 0 0 353.369 2.539 20 10 FFCDRN CN(CCF)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000297474430 510959924 /nfs/dbraw/zinc/95/99/24/510959924.db2.gz VACQBJJCIREEBR-UHFFFAOYSA-N 0 0 363.355 2.653 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1Cc2ccccc2C1 ZINC000277400542 510961985 /nfs/dbraw/zinc/96/19/85/510961985.db2.gz OBJUFWDPUNMMHD-UHFFFAOYSA-N 0 0 350.462 2.897 20 10 FFCDRN CC(C)c1nn(C)cc1C(=O)NCc1cccc(Br)c1O ZINC000277417675 510962220 /nfs/dbraw/zinc/96/22/20/510962220.db2.gz CPSCLEOBSRRYTL-UHFFFAOYSA-N 0 0 352.232 2.942 20 10 FFCDRN CC(C)(CO)CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277521261 510964992 /nfs/dbraw/zinc/96/49/92/510964992.db2.gz VENJPEXERLRXOL-UHFFFAOYSA-N 0 0 354.834 2.609 20 10 FFCDRN C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1CCCCO1 ZINC000277604872 510967324 /nfs/dbraw/zinc/96/73/24/510967324.db2.gz VMEVRHLUGQXIEP-GWCFXTLKSA-N 0 0 357.248 2.912 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@H](NC(N)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000270781765 510983259 /nfs/dbraw/zinc/98/32/59/510983259.db2.gz SQPNQZFFWJFFBN-CQSZACIVSA-N 0 0 360.845 2.630 20 10 FFCDRN C[C@H]1OCC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000361103285 510992675 /nfs/dbraw/zinc/99/26/75/510992675.db2.gz NSKDWKMTUZYRFP-WBMJQRKESA-N 0 0 354.397 2.798 20 10 FFCDRN CN(C)c1ccc(CNc2cc(-c3cccnc3)nn2CCO)cc1F ZINC000278484826 510993379 /nfs/dbraw/zinc/99/33/79/510993379.db2.gz KFPNJASEEPCBPS-UHFFFAOYSA-N 0 0 355.417 2.755 20 10 FFCDRN COc1ccc([C@@H](CCO)[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278499446 510995726 /nfs/dbraw/zinc/99/57/26/510995726.db2.gz NKHKWLFFCYHGMG-OAHLLOKOSA-N 0 0 362.382 2.531 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278854984 511011600 /nfs/dbraw/zinc/01/16/00/511011600.db2.gz LKPZLVZFYYBVEI-ZUZCIYMTSA-N 0 0 350.346 2.660 20 10 FFCDRN CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000286497734 511026199 /nfs/dbraw/zinc/02/61/99/511026199.db2.gz DDXVSIIHDVRXCA-IEBWSBKVSA-N 0 0 372.513 2.779 20 10 FFCDRN CC(C)SCCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000287319152 511046894 /nfs/dbraw/zinc/04/68/94/511046894.db2.gz LKXGBZNWULGMEW-UHFFFAOYSA-N 0 0 369.506 2.728 20 10 FFCDRN CNC(=O)CC[C@@H]1CCCCN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000287647010 511054408 /nfs/dbraw/zinc/05/44/08/511054408.db2.gz USIBQOKIXDDDRF-SFHVURJKSA-N 0 0 372.513 2.659 20 10 FFCDRN C[C@@H]1COCC[C@@H]1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000287925343 511060342 /nfs/dbraw/zinc/06/03/42/511060342.db2.gz RGMNCMHWLMCZCM-JFIYKMOQSA-N 0 0 362.470 2.755 20 10 FFCDRN Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282654789 511062433 /nfs/dbraw/zinc/06/24/33/511062433.db2.gz IEBHLCMOBMBCAF-MLGOLLRUSA-N 0 0 370.287 2.812 20 10 FFCDRN CSCC(C)(C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000282659106 511064516 /nfs/dbraw/zinc/06/45/16/511064516.db2.gz IKHAMPJCCSIZCI-UHFFFAOYSA-N 0 0 350.528 2.901 20 10 FFCDRN O=C(c1ccncc1)N1CCC([NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000294477885 511077972 /nfs/dbraw/zinc/07/79/72/511077972.db2.gz ZVDRQVJPIFVLOP-UHFFFAOYSA-N 0 0 363.820 2.974 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1COc2ccccc21 ZINC000288655902 511082160 /nfs/dbraw/zinc/08/21/60/511082160.db2.gz FUKHEVNPICHLQG-CYBMUJFWSA-N 0 0 372.808 2.986 20 10 FFCDRN CN(Cc1cccs1)c1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000294501991 511085764 /nfs/dbraw/zinc/08/57/64/511085764.db2.gz BIZNWJCUQUESCE-HNNXBMFYSA-N 0 0 350.509 2.661 20 10 FFCDRN CC(=O)C(=O)CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 ZINC000288832679 511087728 /nfs/dbraw/zinc/08/77/28/511087728.db2.gz JBOFDLBZOSAFRM-UHFFFAOYSA-N 0 0 372.494 2.563 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c(C)n1-c1ccccc1C ZINC000294507436 511088333 /nfs/dbraw/zinc/08/83/33/511088333.db2.gz BLAIUKBFWKNXAP-RDJZCZTQSA-N 0 0 360.479 2.708 20 10 FFCDRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc2c(cc1O)OCO2 ZINC000289192265 511095469 /nfs/dbraw/zinc/09/54/69/511095469.db2.gz WSVVNRIIQBRZDD-GFCCVEGCSA-N 0 0 356.426 2.947 20 10 FFCDRN CCn1c(SCC(=O)C(C)=O)nc2sc3c(c2c1=O)CCCC3 ZINC000289511356 511102583 /nfs/dbraw/zinc/10/25/83/511102583.db2.gz CISOBTRFFGEYIR-UHFFFAOYSA-N 0 0 350.465 2.607 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]12 ZINC000289603434 511106772 /nfs/dbraw/zinc/10/67/72/511106772.db2.gz SYHFYFIHHLHDMK-DFQSSKMNSA-N 0 0 358.482 2.687 20 10 FFCDRN CCSCCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000282797639 511115363 /nfs/dbraw/zinc/11/53/63/511115363.db2.gz JWWCRHHWEFQNHC-UHFFFAOYSA-N 0 0 365.543 2.838 20 10 FFCDRN CO[C@@H](C)c1noc(CN(C)Cc2cc(Br)ccc2O)n1 ZINC000271194638 511115691 /nfs/dbraw/zinc/11/56/91/511115691.db2.gz HFGGLKBXXQDYPX-VIFPVBQESA-N 0 0 356.220 2.877 20 10 FFCDRN COC(=O)CN(Cc1cnc([C@@H](C)O)s1)Cc1cc(Cl)ccc1O ZINC000290188182 511130753 /nfs/dbraw/zinc/13/07/53/511130753.db2.gz ZUIIYALQPXVJMA-SNVBAGLBSA-N 0 0 370.858 2.731 20 10 FFCDRN Cc1ccc(C(=O)N2CCOC[C@H]2CC(=O)c2cccs2)c(O)c1O ZINC000271238349 511132470 /nfs/dbraw/zinc/13/24/70/511132470.db2.gz DDPWVLUAJYYHFP-GFCCVEGCSA-N 0 0 361.419 2.582 20 10 FFCDRN Cc1ncc2n1CC[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C2 ZINC000290761446 511150459 /nfs/dbraw/zinc/15/04/59/511150459.db2.gz KHEJHMLFXDSHKL-VQIMIIECSA-N 0 0 369.465 2.667 20 10 FFCDRN COCC1(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)CCOCC1 ZINC000290888253 511152808 /nfs/dbraw/zinc/15/28/08/511152808.db2.gz UQWYESDARRMMIF-UHFFFAOYSA-N 0 0 360.498 2.982 20 10 FFCDRN Cc1nn(C)c(C)c1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000271336785 511168419 /nfs/dbraw/zinc/16/84/19/511168419.db2.gz BRNJMIGZPJCAFW-UHFFFAOYSA-N 0 0 357.458 2.537 20 10 FFCDRN CC(C)[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1 ZINC000271357072 511176251 /nfs/dbraw/zinc/17/62/51/511176251.db2.gz KMRUMOBYWACWPZ-GYAHQXATSA-N 0 0 358.482 2.856 20 10 FFCDRN CCc1n[nH]c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1Br ZINC000279722151 511190076 /nfs/dbraw/zinc/19/00/76/511190076.db2.gz LQUFTZAAXZKINS-QMMMGPOBSA-N 0 0 368.231 2.507 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000279759397 511204170 /nfs/dbraw/zinc/20/41/70/511204170.db2.gz PEZCKNZRHZGILK-DYVFJYSZSA-N 0 0 357.406 2.627 20 10 FFCDRN O=C(CCc1ccc(=O)[nH]c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279822685 511229800 /nfs/dbraw/zinc/22/98/00/511229800.db2.gz KDUXIQJCOMXVAY-KRWDZBQOSA-N 0 0 356.422 2.633 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccc(S(C)(=O)=O)cc2)C2CC2)cc1 ZINC000298401813 511272075 /nfs/dbraw/zinc/27/20/75/511272075.db2.gz UAPWTCZNAQIBAM-UHFFFAOYSA-N 0 0 372.490 2.961 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccnn3CC(F)F)CC2)cc1 ZINC000365135229 511277772 /nfs/dbraw/zinc/27/77/72/511277772.db2.gz RWZRUIKQZIQOGM-UHFFFAOYSA-N 0 0 364.396 2.509 20 10 FFCDRN CO[C@H]1CCC[C@H](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000280022881 511307341 /nfs/dbraw/zinc/30/73/41/511307341.db2.gz VIECFJVFAODWKV-RDJZCZTQSA-N 0 0 364.461 2.874 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCc3ccccc3N)CC2)cc1F ZINC000280032371 511310989 /nfs/dbraw/zinc/31/09/89/511310989.db2.gz YHSHSWGFOWGCFJ-UHFFFAOYSA-N 0 0 357.429 2.698 20 10 FFCDRN CC1=C(C(=O)N(C)C)[C@@H](c2ccc(N3CCCCC3)cc2)NC(=S)N1 ZINC000298536818 511320791 /nfs/dbraw/zinc/32/07/91/511320791.db2.gz XPAHZZLCPUFCTK-QGZVFWFLSA-N 0 0 358.511 2.558 20 10 FFCDRN CO[C@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000298588925 511339337 /nfs/dbraw/zinc/33/93/37/511339337.db2.gz UIJHYQNXMHCGGL-FQEVSTJZSA-N 0 0 354.450 2.869 20 10 FFCDRN COCCCOCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000271873140 511355154 /nfs/dbraw/zinc/35/51/54/511355154.db2.gz YLXBJIXAKFLHML-UHFFFAOYSA-N 0 0 362.392 2.697 20 10 FFCDRN Cc1ccccc1[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283408293 511355896 /nfs/dbraw/zinc/35/58/96/511355896.db2.gz IEQKAOFASRNQFE-MRXNPFEDSA-N 0 0 353.466 2.897 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)CCN1C(=O)OC(C)(C)C ZINC000295314525 511359888 /nfs/dbraw/zinc/35/98/88/511359888.db2.gz WAGYUNRXPJSHPG-MNOVXSKESA-N 0 0 368.405 2.755 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cnn(CCOC)c1 ZINC000283487017 511385485 /nfs/dbraw/zinc/38/54/85/511385485.db2.gz XPVSRFBGMBZLAZ-UHFFFAOYSA-N 0 0 360.458 2.747 20 10 FFCDRN Cc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2O)N2CCOCC2)o1 ZINC000298751309 511398960 /nfs/dbraw/zinc/39/89/60/511398960.db2.gz MQSOQZXHCFRTSE-QGZVFWFLSA-N 0 0 373.453 2.509 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnn1CC(F)(F)F ZINC000295421723 511399596 /nfs/dbraw/zinc/39/95/96/511399596.db2.gz VZRMHPNOEZRZEN-UHFFFAOYSA-N 0 0 354.332 2.551 20 10 FFCDRN CCOc1ccc(C(=O)CCC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000298765204 511404114 /nfs/dbraw/zinc/40/41/14/511404114.db2.gz MVRDEBMVTKSNKC-UHFFFAOYSA-N 0 0 357.406 2.818 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000365388630 511420089 /nfs/dbraw/zinc/42/00/89/511420089.db2.gz VRLPPFJWWIJTKB-JKSUJKDBSA-N 0 0 374.824 2.746 20 10 FFCDRN COc1cc(N2CCN(CCc3cscn3)CC2)cc(OC)c1OC ZINC000295648110 511471190 /nfs/dbraw/zinc/47/11/90/511471190.db2.gz CTASYQUWVKBHAT-UHFFFAOYSA-N 0 0 363.483 2.534 20 10 FFCDRN COC1CCN(c2ccc(CN[C@@](C)(C(N)=O)c3ccccc3)cc2)CC1 ZINC000295684681 511482321 /nfs/dbraw/zinc/48/23/21/511482321.db2.gz MYNFDKINGDIUSF-JOCHJYFZSA-N 0 0 367.493 2.792 20 10 FFCDRN Cn1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C2CC2)n1 ZINC000292150501 511485019 /nfs/dbraw/zinc/48/50/19/511485019.db2.gz WYNMMUQKQOTRDX-UHFFFAOYSA-N 0 0 373.432 2.595 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272453107 511495273 /nfs/dbraw/zinc/49/52/73/511495273.db2.gz NSDVLJZXMLWFFU-KGXGESDWSA-N 0 0 362.426 2.627 20 10 FFCDRN COc1ccc(C[C@H](C)C(=O)NCCc2ccc(O)c(O)c2)cc1OC ZINC000272952812 511512156 /nfs/dbraw/zinc/51/21/56/511512156.db2.gz VHZRAOMMNGOEAD-ZDUSSCGKSA-N 0 0 359.422 2.653 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C(N)=O)c2ccccc2)cc1 ZINC000299100323 511514474 /nfs/dbraw/zinc/51/44/74/511514474.db2.gz YZWYTKIHFAZEQH-GOSISDBHSA-N 0 0 354.454 2.559 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCCOCCOCc1ccccc1 ZINC000273054320 511516708 /nfs/dbraw/zinc/51/67/08/511516708.db2.gz XFCFXMBRQDBUBE-CSKARUKUSA-N 0 0 371.433 2.851 20 10 FFCDRN CCOc1ccccc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000299105190 511517277 /nfs/dbraw/zinc/51/72/77/511517277.db2.gz GCKZAJRDUNKYNM-UHFFFAOYSA-N 0 0 374.462 2.572 20 10 FFCDRN CC(C)NC(=O)Nc1cccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273132060 511517485 /nfs/dbraw/zinc/51/74/85/511517485.db2.gz BUMCOWZCRMMWPG-ZDUSSCGKSA-N 0 0 371.437 2.989 20 10 FFCDRN COc1ccc(OC)c(/C=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273157730 511519441 /nfs/dbraw/zinc/51/94/41/511519441.db2.gz JPPPEZJCJQRLEQ-OMDQHUAHSA-N 0 0 357.406 2.876 20 10 FFCDRN CC(C)NC(=O)Nc1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000273171471 511519578 /nfs/dbraw/zinc/51/95/78/511519578.db2.gz MNEWSFSZVMWADS-ZDUSSCGKSA-N 0 0 371.437 2.989 20 10 FFCDRN CCN1C(=O)CCc2cc(NC(=O)NCCc3ccc(O)c(O)c3)ccc21 ZINC000273546230 511530817 /nfs/dbraw/zinc/53/08/17/511530817.db2.gz AHOFKBOWVJRVHO-UHFFFAOYSA-N 0 0 369.421 2.761 20 10 FFCDRN COc1cc(N2CCN([C@@H](C)c3cccnc3)CC2)cc(OC)c1OC ZINC000273559202 511534024 /nfs/dbraw/zinc/53/40/24/511534024.db2.gz CZZNNXFFLQPDLD-HNNXBMFYSA-N 0 0 357.454 2.991 20 10 FFCDRN COc1cccc(CNC(=O)N[C@H](C)[C@@H]2OCCc3sccc32)c1O ZINC000292305524 511545730 /nfs/dbraw/zinc/54/57/30/511545730.db2.gz VYSQQLDZVXQITE-DIFFPNOSSA-N 0 0 362.451 2.964 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccnc(-n3ccnc3)c2)cc1 ZINC000363443863 511555965 /nfs/dbraw/zinc/55/59/65/511555965.db2.gz ZVCRKSBOOVOBTC-UHFFFAOYSA-N 0 0 364.453 2.675 20 10 FFCDRN Cc1cc(C)c([C@@H](C)[NH2+]CCCN2CCN(c3ncccn3)CC2)c(O)c1 ZINC000283958998 511556383 /nfs/dbraw/zinc/55/63/83/511556383.db2.gz GBJWFEKILXUQSJ-GOSISDBHSA-N 0 0 369.513 2.662 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2COc3ccccc3[C@H]2O)c(C)n1-c1ccccn1 ZINC000365610516 511557521 /nfs/dbraw/zinc/55/75/21/511557521.db2.gz RLSPTVGERCYNHV-FXAWDEMLSA-N 0 0 363.417 2.714 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000283972306 511561947 /nfs/dbraw/zinc/56/19/47/511561947.db2.gz GSCATHNXGOFXRS-LJQANCHMSA-N 0 0 369.465 2.645 20 10 FFCDRN Cc1nc(C2CC2)oc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000273663685 511567605 /nfs/dbraw/zinc/56/76/05/511567605.db2.gz IGCJRVSTDIORPK-UHFFFAOYSA-N 0 0 373.428 2.891 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@](CO)(c3ccccc3)C2)cc1OC ZINC000292380600 511575682 /nfs/dbraw/zinc/57/56/82/511575682.db2.gz QCUDRNMCCJBIGA-IBGZPJMESA-N 0 0 358.394 2.752 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@]3(CCO[C@H]3C)C2)cc1 ZINC000280755769 511589581 /nfs/dbraw/zinc/58/95/81/511589581.db2.gz IFAUXZFYESYRSB-OXJNMPFZSA-N 0 0 361.486 2.622 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3oc(C4CC4)nc3C)CC2)cc1F ZINC000273760364 511599889 /nfs/dbraw/zinc/59/98/89/511599889.db2.gz UUXKCBWPXJPEKE-UHFFFAOYSA-N 0 0 359.401 2.971 20 10 FFCDRN Cc1cnc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000284154546 511625334 /nfs/dbraw/zinc/62/53/34/511625334.db2.gz QSPGBTGMGAQUCV-AWEZNQCLSA-N 0 0 372.494 2.545 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCOc3cc(OC)ccc32)c1 ZINC000363563559 511630581 /nfs/dbraw/zinc/63/05/81/511630581.db2.gz MUDFMEGAWKUTNV-MRXNPFEDSA-N 0 0 358.394 2.732 20 10 FFCDRN CCCCOc1ccc(OC)cc1NC(=O)C(=O)NCc1ccccc1O ZINC000299528585 511661014 /nfs/dbraw/zinc/66/10/14/511661014.db2.gz RVYFHNKYILAYAG-UHFFFAOYSA-N 0 0 372.421 2.835 20 10 FFCDRN Cc1ccc([C@@H](CNC(=O)NCc2ccccc2O)N2CCOCC2)cc1 ZINC000299546712 511662948 /nfs/dbraw/zinc/66/29/48/511662948.db2.gz WPVVSUNLQDPVFP-LJQANCHMSA-N 0 0 369.465 2.573 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Cn1cnc2ccccc2c1=O ZINC000299575501 511664284 /nfs/dbraw/zinc/66/42/84/511664284.db2.gz BWTVLDJUGJXUMF-UHFFFAOYSA-N 0 0 351.406 2.541 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccccc3O)C2)cc1 ZINC000299615950 511666072 /nfs/dbraw/zinc/66/60/72/511666072.db2.gz YRMBKPYHTNLYHY-SFHVURJKSA-N 0 0 352.434 2.869 20 10 FFCDRN COc1ccc(N2CC[NH+](CCCNc3nc(C)cnc3C)CC2)cc1 ZINC000301069463 511688392 /nfs/dbraw/zinc/68/83/92/511688392.db2.gz LGCNIVCNSYANFM-UHFFFAOYSA-N 0 0 355.486 2.726 20 10 FFCDRN CN(Cc1nc2c(s1)CCCC2)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301672042 511699835 /nfs/dbraw/zinc/69/98/35/511699835.db2.gz FVRMQXXFXYZBBG-UHFFFAOYSA-N 0 0 374.422 2.897 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ccnc(C(C)C)n3)cc2)CC1 ZINC000302715123 511710224 /nfs/dbraw/zinc/71/02/24/511710224.db2.gz MQRDNLCLMNMMFP-UHFFFAOYSA-N 0 0 353.470 2.881 20 10 FFCDRN CNC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000292803438 511725491 /nfs/dbraw/zinc/72/54/91/511725491.db2.gz XQLWRNDNGPCFBG-OLZOCXBDSA-N 0 0 366.893 2.510 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc([C@@H]3CCOC3)cc2)cc1 ZINC000292984132 511795831 /nfs/dbraw/zinc/79/58/31/511795831.db2.gz HXGQZHNXRHJYOV-QGZVFWFLSA-N 0 0 367.449 2.511 20 10 FFCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000296572221 511802384 /nfs/dbraw/zinc/80/23/84/511802384.db2.gz DGAQSQKNZBDIGB-PWSUYJOCSA-N 0 0 368.405 2.612 20 10 FFCDRN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCc2ccc(O)c(O)c2)n1 ZINC000281325152 511804809 /nfs/dbraw/zinc/80/48/09/511804809.db2.gz PMBUVXWAERDPPC-UHFFFAOYSA-N 0 0 359.382 2.770 20 10 FFCDRN COC(=O)CCc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000281522338 511877262 /nfs/dbraw/zinc/87/72/62/511877262.db2.gz VXQMADDNQUZJTJ-ZDUSSCGKSA-N 0 0 372.421 2.956 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccccc1COC ZINC000285011300 511967565 /nfs/dbraw/zinc/96/75/65/511967565.db2.gz QSOYYQMJBGIRTI-UHFFFAOYSA-N 0 0 370.449 2.594 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)CN(C)C(=O)OC(C)(C)C ZINC000274952526 511996168 /nfs/dbraw/zinc/99/61/68/511996168.db2.gz RSWMWKQZWHKUCD-STQMWFEESA-N 0 0 366.458 2.648 20 10 FFCDRN CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274947441 511996849 /nfs/dbraw/zinc/99/68/49/511996849.db2.gz QZISAZRMHBNJJI-BLLLJJGKSA-N 0 0 366.458 2.694 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000274960708 511999099 /nfs/dbraw/zinc/99/90/99/511999099.db2.gz UAYBEMWCWPMIPK-GFCCVEGCSA-N 0 0 356.422 2.828 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2ccc(OC)c(F)c2)cn1 ZINC000275056941 512028398 /nfs/dbraw/zinc/02/83/98/512028398.db2.gz PVUOFCZXJLATRU-UHFFFAOYSA-N 0 0 357.389 2.728 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cncnc3C(C)C)CC2)cc1 ZINC000360108907 512072943 /nfs/dbraw/zinc/07/29/43/512072943.db2.gz ZHBOALXDOVXRLX-UHFFFAOYSA-N 0 0 354.454 2.961 20 10 FFCDRN CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@]2(CCOC2)O1 ZINC000366533731 512075923 /nfs/dbraw/zinc/07/59/23/512075923.db2.gz UMZBSBHCTPDAIK-LAUBAEHRSA-N 0 0 369.465 2.899 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000293776098 512081162 /nfs/dbraw/zinc/08/11/62/512081162.db2.gz NGHUWSPKOZWUHN-GUYCJALGSA-N 0 0 364.442 2.539 20 10 FFCDRN CCOc1cccc(CN2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000364325450 512085889 /nfs/dbraw/zinc/08/58/89/512085889.db2.gz POXFLTSRFKJOGR-OAHLLOKOSA-N 0 0 366.458 2.516 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 ZINC000375769067 512498000 /nfs/dbraw/zinc/49/80/00/512498000.db2.gz BZNHEBDJOPBACW-VFADXPBXSA-N 0 0 370.409 2.899 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@]2(CCCOC2)O1 ZINC000369798997 512618348 /nfs/dbraw/zinc/61/83/48/512618348.db2.gz JEJNIBPWUXLIHG-UWJYYQICSA-N 0 0 371.481 2.542 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@]2(CCCOC2)O1 ZINC000369798994 512618427 /nfs/dbraw/zinc/61/84/27/512618427.db2.gz JEJNIBPWUXLIHG-DYESRHJHSA-N 0 0 371.481 2.542 20 10 FFCDRN CC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(F)cc1[O-] ZINC000367722655 512633072 /nfs/dbraw/zinc/63/30/72/512633072.db2.gz BNFAZPGPCISAJB-SJLPKXTDSA-N 0 0 354.491 2.780 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC[C@@H]2CC(c3ccc(C)cc3)=NO2)c1 ZINC000374315999 512762570 /nfs/dbraw/zinc/76/25/70/512762570.db2.gz WOYHVHSNPKTPMT-KRWDZBQOSA-N 0 0 369.421 2.702 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](C)[C@@H]2OCCc3sccc32)c(O)c1 ZINC000368362492 512914083 /nfs/dbraw/zinc/91/40/83/512914083.db2.gz GIASVMGXUGLBEI-DIFFPNOSSA-N 0 0 362.451 2.964 20 10 FFCDRN CC(=O)N[C@H]1Cc2ccccc2N(Cc2cn(C)nc2-c2cccnc2)C1 ZINC000374757087 512987307 /nfs/dbraw/zinc/98/73/07/512987307.db2.gz AOXWGJCBXHMFBF-IBGZPJMESA-N 0 0 361.449 2.550 20 10 FFCDRN CC[C@@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000376883858 513031998 /nfs/dbraw/zinc/03/19/98/513031998.db2.gz DLRRXQFJVRKTFW-HZPDHXFCSA-N 0 0 352.862 2.866 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCCC[C@H]3CC(N)=O)ccc21 ZINC000486043552 515311349 /nfs/dbraw/zinc/31/13/49/515311349.db2.gz JLSAELBRPPZGGL-KRWDZBQOSA-N 0 0 371.481 2.775 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc2c(c1)COC2 ZINC000472797047 515402893 /nfs/dbraw/zinc/40/28/93/515402893.db2.gz YIXBDWFSZKUKFA-UHFFFAOYSA-N 0 0 363.417 2.772 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCNC(=O)[C@@H]1CC=CCC1 ZINC000541373580 517015776 /nfs/dbraw/zinc/01/57/76/517015776.db2.gz LSANWKMEGNHDNB-MRXNPFEDSA-N 0 0 371.481 2.731 20 10 FFCDRN COC[C@@]1([NH2+]Cc2cc(OC)c(OC)cc2O)COc2ccccc2C1 ZINC000529669173 517274262 /nfs/dbraw/zinc/27/42/62/517274262.db2.gz QALMOTJXZLIUPS-HXUWFJFHSA-N 0 0 359.422 2.519 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(c2nncn2C)CC1 ZINC000526926869 517392546 /nfs/dbraw/zinc/39/25/46/517392546.db2.gz WEHRHTKRKLFUAV-UHFFFAOYSA-N 0 0 366.469 2.704 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000529965373 517474004 /nfs/dbraw/zinc/47/40/04/517474004.db2.gz BXXCNRJWIXCZCT-KDURUIRLSA-N 0 0 362.495 2.609 20 10 FFCDRN COCCCCc1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000546387102 517660450 /nfs/dbraw/zinc/66/04/50/517660450.db2.gz NIMWWHQJYIRHII-UHFFFAOYSA-N 0 0 357.435 2.922 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000527519300 517726202 /nfs/dbraw/zinc/72/62/02/517726202.db2.gz PWJIVMVFEBFMPN-NRFANRHFSA-N 0 0 371.481 2.966 20 10 FFCDRN Cc1cc(-c2nc(C[C@H]3CCCO3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000546593076 517744947 /nfs/dbraw/zinc/74/49/47/517744947.db2.gz LEZPMYFRPJWVBN-CQSZACIVSA-N 0 0 369.446 2.983 20 10 FFCDRN COCCOc1ncccc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000542952868 517836352 /nfs/dbraw/zinc/83/63/52/517836352.db2.gz DPIKSOLDIQCTNS-UHFFFAOYSA-N 0 0 372.425 2.604 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCc1ccccc1F ZINC000550426509 518048723 /nfs/dbraw/zinc/04/87/23/518048723.db2.gz JCHKZGCLUPOSQS-UHFFFAOYSA-N 0 0 367.424 2.601 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccn(CCn2cccn2)n1 ZINC000583793758 519435608 /nfs/dbraw/zinc/43/56/08/519435608.db2.gz LJJYWFZJKNRKGF-UHFFFAOYSA-N 0 0 362.437 2.510 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@]1(C)CCCS1 ZINC000578392786 519568079 /nfs/dbraw/zinc/56/80/79/519568079.db2.gz HTARQJYKULRWQZ-IBGZPJMESA-N 0 0 359.495 2.505 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(-c3nn[nH]n3)c2C)c1 ZINC000821838926 607283133 /nfs/dbraw/zinc/28/31/33/607283133.db2.gz RIFXYKZAPNKHGU-LLVKDONJSA-N 0 0 368.397 2.772 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2sccc2-c2nn[nH]n2)cc1F ZINC000736531781 598556462 /nfs/dbraw/zinc/55/64/62/598556462.db2.gz KYBSQKNYUVBZTR-UHFFFAOYSA-N 0 0 374.445 2.844 20 10 FFCDRN Cc1cc(C(=O)Nc2ccnc(C)c2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737275177 598617567 /nfs/dbraw/zinc/61/75/67/598617567.db2.gz RYLIIBLHOOKFQR-UHFFFAOYSA-N 0 0 373.420 2.652 20 10 FFCDRN C[NH+](C)CCN(Cc1ccccn1)c1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000830609184 604811453 /nfs/dbraw/zinc/81/14/53/604811453.db2.gz XGCLVVITZVXVBY-VQHVLOKHSA-N 0 0 370.409 2.656 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825483852 604933664 /nfs/dbraw/zinc/93/36/64/604933664.db2.gz BNEMWYNFDPLYBW-HUUCEWRRSA-N 0 0 365.449 2.703 20 10 FFCDRN Cc1cc(Br)cc(C[N@H+]2CC[C@H]([C@H](C)NC(=O)[O-])C2)c1O ZINC000833896945 605655106 /nfs/dbraw/zinc/65/51/06/605655106.db2.gz BRYMMHIUTKPBRL-QWRGUYRKSA-N 0 0 357.248 2.941 20 10 FFCDRN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1O ZINC000833897904 605992822 /nfs/dbraw/zinc/99/28/22/605992822.db2.gz PGAZCMDTQOEEND-GWCFXTLKSA-N 0 0 357.248 2.941 20 10 FFCDRN CC(C)(C)c1cnc(S[C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)s1 ZINC000819966202 607120353 /nfs/dbraw/zinc/12/03/53/607120353.db2.gz YOFQQXAEFLPKDR-GFCCVEGCSA-N 0 0 374.495 2.939 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CCCS2(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000153756990 728787307 /nfs/dbraw/zinc/78/73/07/728787307.db2.gz YJDOIPSKJKGARZ-KRWDZBQOSA-N 0 0 360.479 2.710 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@H](CO)c1ccccc1 ZINC000154645880 728808774 /nfs/dbraw/zinc/80/87/74/728808774.db2.gz IWVYSONSKUNRRT-CQSZACIVSA-N 0 0 351.497 2.701 20 10 FFCDRN CSC[C@@H](CCO)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000154871091 728814667 /nfs/dbraw/zinc/81/46/67/728814667.db2.gz PLLNDELVHYUFLV-QGZVFWFLSA-N 0 0 365.543 2.836 20 10 FFCDRN Cc1cc(C(=O)CSc2cn[nH]n2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000156027499 728841251 /nfs/dbraw/zinc/84/12/51/728841251.db2.gz DANACVAWFUSAKC-UHFFFAOYSA-N 0 0 356.407 2.916 20 10 FFCDRN Cc1cc(Cl)ncc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000157274488 728869499 /nfs/dbraw/zinc/86/94/99/728869499.db2.gz FGLPKMSIUGHISS-UHFFFAOYSA-N 0 0 364.808 2.503 20 10 FFCDRN C[C@H]1CC(NC(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](C)O1 ZINC000157649380 728874933 /nfs/dbraw/zinc/87/49/33/728874933.db2.gz VQPGGXDHEHRMHW-GJZGRUSLSA-N 0 0 363.527 2.995 20 10 FFCDRN O=S(=O)(NCc1ccccc1O)c1ccc(F)cc1Br ZINC000158575237 728890693 /nfs/dbraw/zinc/89/06/93/728890693.db2.gz AFJUWADWGVRVSP-UHFFFAOYSA-N 0 0 360.204 2.772 20 10 FFCDRN COc1ccc(Cl)cc1NCCC(=O)NCc1ccc(O)c(O)c1 ZINC000158950213 728897563 /nfs/dbraw/zinc/89/75/63/728897563.db2.gz ITXPNZAPFQTSRW-UHFFFAOYSA-N 0 0 350.802 2.878 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N(C)C[C@H]2CCC[C@@H]2O)cc1F ZINC000161028176 728928191 /nfs/dbraw/zinc/92/81/91/728928191.db2.gz PPYDVBYRMNTXQV-QAPCUYQASA-N 0 0 351.466 2.974 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1O ZINC000161102969 728928926 /nfs/dbraw/zinc/92/89/26/728928926.db2.gz XQKRTTAATPRIQK-UHFFFAOYSA-N 0 0 361.341 2.898 20 10 FFCDRN CC(C)[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCS1 ZINC000743559669 735305447 /nfs/dbraw/zinc/30/54/47/735305447.db2.gz LOJWMSXUCFCAML-GOSISDBHSA-N 0 0 363.527 2.806 20 10 FFCDRN CN(c1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1)S(C)(=O)=O ZINC000898284558 735336281 /nfs/dbraw/zinc/33/62/81/735336281.db2.gz MIPKWVRWMYNDPC-UHFFFAOYSA-N 0 0 372.849 2.870 20 10 FFCDRN Cc1ccc(C(=O)OCc2nc([C@H](C)OCC(C)C)no2)c(O)c1O ZINC000744911415 735385513 /nfs/dbraw/zinc/38/55/13/735385513.db2.gz YMGWVWJPAGQSLR-NSHDSACASA-N 0 0 350.371 2.880 20 10 FFCDRN O=C(NCCOC1CCSCC1)NCc1c(O)ccc2c1CCCC2 ZINC000899067647 735441826 /nfs/dbraw/zinc/44/18/26/735441826.db2.gz IQRJBUMLMQTPFV-UHFFFAOYSA-N 0 0 364.511 2.982 20 10 FFCDRN COC(=O)COc1ccccc1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000899260787 735467516 /nfs/dbraw/zinc/46/75/16/735467516.db2.gz QQFLIACRLZPJKE-ZROIWOOFSA-N 0 0 363.460 2.992 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)ccc1O ZINC000011639374 727811197 /nfs/dbraw/zinc/81/11/97/727811197.db2.gz FDMNQFMLTLCHTG-UHFFFAOYSA-N 0 0 352.184 2.538 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1cc(Br)ccc1F ZINC000026763696 727872069 /nfs/dbraw/zinc/87/20/69/727872069.db2.gz RZWKMPYDNHCWLP-WQLSENKSSA-N 0 0 371.231 2.891 20 10 FFCDRN CS(=O)(=O)c1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000028047065 727882437 /nfs/dbraw/zinc/88/24/37/727882437.db2.gz NPERGEDPFGILOU-UHFFFAOYSA-N 0 0 358.463 2.620 20 10 FFCDRN CC(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000030419008 727902913 /nfs/dbraw/zinc/90/29/13/727902913.db2.gz YKDJCJWBDIGWRE-UHFFFAOYSA-N 0 0 358.463 2.968 20 10 FFCDRN COc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c(C)c1 ZINC000041374267 727939940 /nfs/dbraw/zinc/93/99/40/727939940.db2.gz LSJDHJSDYRHIHW-UHFFFAOYSA-N 0 0 362.451 2.641 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cnc3sccn3c2=O)cc1 ZINC000057116779 728107599 /nfs/dbraw/zinc/10/75/99/728107599.db2.gz XLAJHZVNYSQIHJ-UHFFFAOYSA-N 0 0 356.451 2.532 20 10 FFCDRN CSCCCNC(=S)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065222356 728156161 /nfs/dbraw/zinc/15/61/61/728156161.db2.gz OGTMOBPGLKUOJD-CQSZACIVSA-N 0 0 353.557 2.801 20 10 FFCDRN CCCC(=O)N1CSC[C@@H]1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075160094 728244344 /nfs/dbraw/zinc/24/43/44/728244344.db2.gz AVMFVKGFDGEVAK-MRXNPFEDSA-N 0 0 362.495 2.589 20 10 FFCDRN CC(C)(C)OCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000746727791 735507635 /nfs/dbraw/zinc/50/76/35/735507635.db2.gz YFXBQOSNEURAIY-UHFFFAOYSA-N 0 0 351.516 2.854 20 10 FFCDRN NS(=O)(=O)CCSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000077491070 728276030 /nfs/dbraw/zinc/27/60/30/728276030.db2.gz OJSUXJVVOIHLMW-UHFFFAOYSA-N 0 0 363.464 2.572 20 10 FFCDRN CS(=O)(=O)CC1(CC(=O)NCc2ccc(N3CCCCC3)cc2)CC1 ZINC000746839403 735512257 /nfs/dbraw/zinc/51/22/57/735512257.db2.gz YEALBTIFTFTCDK-UHFFFAOYSA-N 0 0 364.511 2.508 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000093011846 728473139 /nfs/dbraw/zinc/47/31/39/728473139.db2.gz IGXLUBYJNKBCEC-HNNXBMFYSA-N 0 0 369.303 2.841 20 10 FFCDRN COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000093610712 728476700 /nfs/dbraw/zinc/47/67/00/728476700.db2.gz RXOUESDONCPOKT-NSHDSACASA-N 0 0 360.273 2.635 20 10 FFCDRN Cc1nsc(N2CCN(Cc3cc(Br)ccc3O)CC2)n1 ZINC000093663310 728476965 /nfs/dbraw/zinc/47/69/65/728476965.db2.gz XUHZUNXKLUQLJT-UHFFFAOYSA-N 0 0 369.288 2.637 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCN(C)CC(F)(F)F)c1 ZINC000103512734 728497781 /nfs/dbraw/zinc/49/77/81/728497781.db2.gz ZBEYGVQZULKJRZ-LLVKDONJSA-N 0 0 363.380 2.645 20 10 FFCDRN COc1cccc(CNC(=O)c2cn(-c3ccccc3Cl)nn2)c1O ZINC000105651132 728507672 /nfs/dbraw/zinc/50/76/72/728507672.db2.gz RJQUAXOUPWTMRF-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN Oc1ccc2cc(Br)ccc2c1CN1CCn2cnnc2C1 ZINC000111174040 728535130 /nfs/dbraw/zinc/53/51/30/728535130.db2.gz UNPWAVMINXQYTN-UHFFFAOYSA-N 0 0 359.227 2.915 20 10 FFCDRN CC[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H](C)O1 ZINC000111471980 728536430 /nfs/dbraw/zinc/53/64/30/728536430.db2.gz NSNYIYSTQQBJRK-QAPCUYQASA-N 0 0 363.527 2.949 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(Br)c1[O-])C(=O)NCc1ccco1 ZINC000111399037 728536488 /nfs/dbraw/zinc/53/64/88/728536488.db2.gz FFGWXJOPDMYNLE-JTQLQIEISA-N 0 0 353.216 2.542 20 10 FFCDRN O=C1OCc2ccc(S(=O)(=O)Nc3cccc(N4CCCC4)c3)cc21 ZINC000111995395 728540383 /nfs/dbraw/zinc/54/03/83/728540383.db2.gz BWYGHBORNMQCPL-UHFFFAOYSA-N 0 0 358.419 2.758 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000111995507 728540422 /nfs/dbraw/zinc/54/04/22/728540422.db2.gz FLFLLTXUVZWKAP-UHFFFAOYSA-N 0 0 360.435 2.874 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@H]1CCCN1c1nccs1 ZINC000114374569 728559980 /nfs/dbraw/zinc/55/99/80/728559980.db2.gz BYOLOQHJSZTBEL-LLVKDONJSA-N 0 0 354.526 2.867 20 10 FFCDRN CCc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)n(C)n1 ZINC000116514241 728572136 /nfs/dbraw/zinc/57/21/36/728572136.db2.gz VTIKQEJDNQOYLJ-UHFFFAOYSA-N 0 0 359.499 2.857 20 10 FFCDRN Cc1cc(S(=O)(=O)NCCCSc2nccs2)cnc1Cl ZINC000117365263 728578253 /nfs/dbraw/zinc/57/82/53/728578253.db2.gz HCHJJVHXESIBRP-UHFFFAOYSA-N 0 0 363.917 2.961 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCCOCC(F)(F)F)cc1F ZINC000120354740 728609984 /nfs/dbraw/zinc/60/99/84/728609984.db2.gz YCDLLYLFNDHVKY-UHFFFAOYSA-N 0 0 351.344 2.660 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@@H](CO)SC)cc1F ZINC000120313950 728609625 /nfs/dbraw/zinc/60/96/25/728609625.db2.gz JWMRDQPBXJHAMM-MLGOLLRUSA-N 0 0 357.495 2.584 20 10 FFCDRN COc1ccc(N(C)Cc2csc(CS(C)(=O)=O)n2)cc1Cl ZINC000121887941 728641327 /nfs/dbraw/zinc/64/13/27/728641327.db2.gz STHSBLVQKXTZQZ-UHFFFAOYSA-N 0 0 360.888 2.986 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1Br ZINC000122328803 728646425 /nfs/dbraw/zinc/64/64/25/728646425.db2.gz XRBYBRJZHNRYIQ-UHFFFAOYSA-N 0 0 363.211 2.752 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCc2ccccc2[C@H]1CO ZINC000132330868 728724279 /nfs/dbraw/zinc/72/42/79/728724279.db2.gz HBNKRRQYDFCERX-OAHLLOKOSA-N 0 0 363.508 2.927 20 10 FFCDRN Cc1cc(C(=O)CN(C)[C@H](C)CS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000133165693 728726358 /nfs/dbraw/zinc/72/63/58/728726358.db2.gz LVOARUAPCBVMBH-OAHLLOKOSA-N 0 0 362.495 2.642 20 10 FFCDRN C[C@H]1CCCCN1C(=O)CN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000133727271 728727676 /nfs/dbraw/zinc/72/76/76/728727676.db2.gz NBCMIIMJMZBKPS-HNNXBMFYSA-N 0 0 365.905 2.564 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(Cl)c1 ZINC000134614052 728731442 /nfs/dbraw/zinc/73/14/42/728731442.db2.gz STRHPGVPCZNFDO-NSHDSACASA-N 0 0 362.813 2.746 20 10 FFCDRN C[C@@H]([NH2+]C[C@H](C)O)c1cc(Br)cc(Br)c1[O-] ZINC000134899134 728733903 /nfs/dbraw/zinc/73/39/03/728733903.db2.gz ZKUVPLMNDHRVRR-NKWVEPMBSA-N 0 0 353.054 2.949 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1c(F)cccc1F ZINC000162923870 728951152 /nfs/dbraw/zinc/95/11/52/728951152.db2.gz ZAAKFHXIWVYFLO-UHFFFAOYSA-N 0 0 354.422 2.959 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1cc(C#N)ccc1F ZINC000162923994 728951155 /nfs/dbraw/zinc/95/11/55/728951155.db2.gz FUIPTFBQQPQMGO-UHFFFAOYSA-N 0 0 361.442 2.691 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N(C)Cc3cscn3)CC2)cc1 ZINC000170698535 728986516 /nfs/dbraw/zinc/98/65/16/728986516.db2.gz UJCVBEQGFJMBSV-UHFFFAOYSA-N 0 0 360.483 2.962 20 10 FFCDRN Cc1nc2n(n1)C[C@H](NC(=O)c1sccc1-n1c(C)ccc1C)CC2 ZINC000171455537 729005028 /nfs/dbraw/zinc/00/50/28/729005028.db2.gz BOLKRXYSDFCWDJ-CQSZACIVSA-N 0 0 355.467 2.800 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000751318674 735863648 /nfs/dbraw/zinc/86/36/48/735863648.db2.gz OAMGRSNNHMWQIK-SNVBAGLBSA-N 0 0 355.387 2.588 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c(C)nn(C(C)C)c2C)c1 ZINC000751319463 735863788 /nfs/dbraw/zinc/86/37/88/735863788.db2.gz XBHGKXZAGBBHEN-LLVKDONJSA-N 0 0 367.471 2.835 20 10 FFCDRN O=S(=O)(CCCF)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000175595406 729098795 /nfs/dbraw/zinc/09/87/95/729098795.db2.gz UCTXUHPQTUSUJT-LBPRGKRZSA-N 0 0 366.405 2.536 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)CC3CCCC3)CC2)cc1 ZINC000178326733 729159927 /nfs/dbraw/zinc/15/99/27/729159927.db2.gz WHOKICSRVFBTIJ-UHFFFAOYSA-N 0 0 352.500 2.774 20 10 FFCDRN COC(=O)CN(Cc1cnn2ccccc12)Cc1cc(Cl)ccc1O ZINC000179555574 729188740 /nfs/dbraw/zinc/18/87/40/729188740.db2.gz PUISCCIURNBLGC-UHFFFAOYSA-N 0 0 359.813 2.869 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)cc1 ZINC000179806867 729195393 /nfs/dbraw/zinc/19/53/93/729195393.db2.gz KUQIBOWGAUFTHM-UHFFFAOYSA-N 0 0 367.783 2.939 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778925951 738421703 /nfs/dbraw/zinc/42/17/03/738421703.db2.gz RNNZVSJDBQTXTN-UHFFFAOYSA-N 0 0 354.265 2.537 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)c3cc(C)oc3C)CC2)cc1 ZINC000183154210 729296838 /nfs/dbraw/zinc/29/68/38/729296838.db2.gz XSKPROCIZIPCCJ-UHFFFAOYSA-N 0 0 364.467 2.852 20 10 FFCDRN COC(=O)COc1ccc(N(C)C[C@@H](O)c2ccc(F)cc2F)cc1 ZINC000183796384 729313839 /nfs/dbraw/zinc/31/38/39/729313839.db2.gz DRJYYASCGPMHLM-QGZVFWFLSA-N 0 0 351.349 2.686 20 10 FFCDRN CC1(C)CC[C@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC000186347033 729363531 /nfs/dbraw/zinc/36/35/31/729363531.db2.gz ZAZBCYKWMSPSLF-QGZVFWFLSA-N 0 0 363.527 2.997 20 10 FFCDRN CCC1(CC)CN(Cc2ccc(N3CCOCC3)cc2)CC[S@]1=O ZINC000187565137 729378532 /nfs/dbraw/zinc/37/85/32/729378532.db2.gz AOMGKRZBQHJJLZ-XMMPIXPASA-N 0 0 350.528 2.646 20 10 FFCDRN CC(C)C[C@H](CO)N(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000188419493 729387996 /nfs/dbraw/zinc/38/79/96/729387996.db2.gz WLZKBSKERQCGEK-GOSISDBHSA-N 0 0 365.543 2.788 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCC[C@H]1CCO ZINC000190301392 729406900 /nfs/dbraw/zinc/40/69/00/729406900.db2.gz UJIKSRIDVKAUQG-FUHWJXTLSA-N 0 0 363.527 2.590 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000190950139 729413357 /nfs/dbraw/zinc/41/33/57/729413357.db2.gz BTCDEDMULJTLCX-VIFPVBQESA-N 0 0 350.444 3.000 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](C)C2CCN(CC(F)(F)F)CC2)c(O)c1O ZINC000194653019 729517192 /nfs/dbraw/zinc/51/71/92/729517192.db2.gz GTDFOZHLSDJLKH-LLVKDONJSA-N 0 0 360.376 2.799 20 10 FFCDRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000246754377 729590156 /nfs/dbraw/zinc/59/01/56/729590156.db2.gz XPGWPARLBCMHIL-JPDCCXOHSA-N 0 0 368.499 2.841 20 10 FFCDRN Cc1ccccc1/C=C1/SC(=S)N(CCCN2CCOCC2)C1=O ZINC000255053711 729630495 /nfs/dbraw/zinc/63/04/95/729630495.db2.gz KDIOEYOQIDGSHP-DTQAZKPQSA-N 0 0 362.520 2.919 20 10 FFCDRN C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCCC1 ZINC000856228379 730318109 /nfs/dbraw/zinc/31/81/09/730318109.db2.gz XURCSZHJSWVEGD-LBPRGKRZSA-N 0 0 354.472 2.710 20 10 FFCDRN COC(=O)c1cc(O)ccc1NS(=O)(=O)C1=Cc2ccccc2CC1 ZINC000779460158 738466373 /nfs/dbraw/zinc/46/63/73/738466373.db2.gz KWOYONNJKVWPNQ-UHFFFAOYSA-N 0 0 359.403 2.908 20 10 FFCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(Br)c[nH]c1=O ZINC000779496960 738468144 /nfs/dbraw/zinc/46/81/44/738468144.db2.gz DAJQOXANTAUHIM-RQOWECAXSA-N 0 0 351.156 2.613 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[C@@H](CO)C2)cc1F ZINC000856859699 730362552 /nfs/dbraw/zinc/36/25/52/730362552.db2.gz SGNPVYDORCGCDX-GOEBONIOSA-N 0 0 351.466 2.832 20 10 FFCDRN O=C(CCc1nc(-c2ccncc2)no1)NCc1cc(Cl)ccc1O ZINC000857547766 730399230 /nfs/dbraw/zinc/39/92/30/730399230.db2.gz SOMWMGDDKPTLOW-UHFFFAOYSA-N 0 0 358.785 2.740 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCc2cnc(N)nc2C1 ZINC000857975041 730415073 /nfs/dbraw/zinc/41/50/73/730415073.db2.gz YAULWDXVIXZAPR-UHFFFAOYSA-N 0 0 353.451 2.726 20 10 FFCDRN CN(C)c1cc(F)c(CN[C@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000858149768 730417869 /nfs/dbraw/zinc/41/78/69/730417869.db2.gz UMAOOIYSKPTFLW-HNNXBMFYSA-N 0 0 352.406 2.649 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@]1(C)Br ZINC000858201798 730419669 /nfs/dbraw/zinc/41/96/69/730419669.db2.gz WDGRIUORYHVTPS-WBVHZDCISA-N 0 0 367.287 2.655 20 10 FFCDRN Cc1cc(CNC(=O)N[C@@H](C)C[S@@](C)=O)c(C)n1-c1cccc(C)c1 ZINC000858358523 730423775 /nfs/dbraw/zinc/42/37/75/730423775.db2.gz PZIVBHFSDABWNT-HWRSSNJWSA-N 0 0 361.511 2.969 20 10 FFCDRN C[C@@H](NC(=O)NC[C@H]1CCCN1CC(F)F)c1ccc(N(C)C)cc1 ZINC000858369159 730424066 /nfs/dbraw/zinc/42/40/66/730424066.db2.gz RGOHJMCKRIJXPT-CZUORRHYSA-N 0 0 354.445 2.842 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2COC(C)(C)C2)cc1F ZINC000858964531 730438298 /nfs/dbraw/zinc/43/82/98/730438298.db2.gz LQZROUPDPAJDGZ-CQSZACIVSA-N 0 0 358.479 2.659 20 10 FFCDRN CCCOCCOC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000859004566 730439276 /nfs/dbraw/zinc/43/92/76/730439276.db2.gz SVZVHSLTUKRQSU-UHFFFAOYSA-N 0 0 350.459 2.548 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@]3(C)Br)CC2)cc1 ZINC000859097731 730441847 /nfs/dbraw/zinc/44/18/47/730441847.db2.gz UDZHVSSEHMLJLM-RDJZCZTQSA-N 0 0 367.287 2.954 20 10 FFCDRN CC(C)(C)CNC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000859632595 730461394 /nfs/dbraw/zinc/46/13/94/730461394.db2.gz OHDPBYATULXRON-UHFFFAOYSA-N 0 0 361.467 2.635 20 10 FFCDRN Nc1ccc(NC(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC000859697602 730463321 /nfs/dbraw/zinc/46/33/21/730463321.db2.gz JNVPTPFNSFAEKZ-KRWDZBQOSA-N 0 0 360.845 2.949 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](O)C(F)(F)F)c1 ZINC000859887937 730468583 /nfs/dbraw/zinc/46/85/83/730468583.db2.gz LVEZYHIRRZBBOD-HNNXBMFYSA-N 0 0 354.328 2.560 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3[C@@H](C)[C@@H](C)O[C@H]3C)CC2)cc1F ZINC000859966479 730470780 /nfs/dbraw/zinc/47/07/80/730470780.db2.gz YXYVZMCIPDMGSV-AHXJXLJNSA-N 0 0 350.434 2.542 20 10 FFCDRN C[C@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000860317660 730501216 /nfs/dbraw/zinc/50/12/16/730501216.db2.gz DPULDQVQEKYMPT-GFCCVEGCSA-N 0 0 360.376 2.843 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCOC(=O)N3)cc2Cl)C1 ZINC000861537832 730622496 /nfs/dbraw/zinc/62/24/96/730622496.db2.gz DIJGIRIBWMTRMQ-WFASDCNBSA-N 0 0 365.861 2.691 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@@]2(C)Br)cc1 ZINC000862128169 730668846 /nfs/dbraw/zinc/66/88/46/730668846.db2.gz AODQJVBRRANLNW-GDBMZVCRSA-N 0 0 355.276 2.763 20 10 FFCDRN Oc1cccc(Br)c1CN1CCN(Cc2cccnc2)CC1 ZINC000862302376 730686989 /nfs/dbraw/zinc/68/69/89/730686989.db2.gz RNFLKHQOKFYNHR-UHFFFAOYSA-N 0 0 362.271 2.868 20 10 FFCDRN CS(=O)(=O)[C@H]1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000862356564 730691303 /nfs/dbraw/zinc/69/13/03/730691303.db2.gz LDKOZXYAHZSXOM-NSHDSACASA-N 0 0 362.289 2.554 20 10 FFCDRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)ccc1O ZINC000862758689 730723630 /nfs/dbraw/zinc/72/36/30/730723630.db2.gz HLERMDZCOPQEPU-AWEZNQCLSA-N 0 0 368.499 2.963 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@H](CCS(C)(=O)=O)c2ccccc2)c1 ZINC000862756500 730723678 /nfs/dbraw/zinc/72/36/78/730723678.db2.gz ZEFMAXTVFAUJES-QGZVFWFLSA-N 0 0 361.463 2.535 20 10 FFCDRN CCN1C(=O)N[C@@H](c2cc(F)c(N(C)C)cc2F)C(C(=O)OC)=C1C ZINC000863387868 730775111 /nfs/dbraw/zinc/77/51/11/730775111.db2.gz NHPVJWNCENDAQZ-HNNXBMFYSA-N 0 0 353.369 2.564 20 10 FFCDRN C/C=C/C[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000863819201 730810492 /nfs/dbraw/zinc/81/04/92/730810492.db2.gz RTDLAHKMUIBDGD-OOPCZODUSA-N 0 0 352.456 2.582 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1c(Cl)n[nH]c1C1CC1 ZINC000864984499 730899419 /nfs/dbraw/zinc/89/94/19/730899419.db2.gz UMHXKZRXFZRCAE-UHFFFAOYSA-N 0 0 360.845 2.707 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cnn(C(F)F)c3)CC2)cc1 ZINC000865116529 730914063 /nfs/dbraw/zinc/91/40/63/730914063.db2.gz XJVIPIFMRZZFFQ-UHFFFAOYSA-N 0 0 350.369 2.686 20 10 FFCDRN Cn1nnnc1CCSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000865353347 730945923 /nfs/dbraw/zinc/94/59/23/730945923.db2.gz HEWHGNRPTFWXDX-UHFFFAOYSA-N 0 0 368.388 2.971 20 10 FFCDRN CCOCn1nc(C)c(CC(=O)NCCCSc2nccs2)c1C ZINC000865785150 730997649 /nfs/dbraw/zinc/99/76/49/730997649.db2.gz LXRDMDXBJBVXKU-UHFFFAOYSA-N 0 0 368.528 2.792 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(Br)cc(Cl)c1[O-] ZINC000866497847 731067439 /nfs/dbraw/zinc/06/74/39/731067439.db2.gz MYFDKXGTTWHUHL-NZXMKCKXSA-N 0 0 350.640 2.609 20 10 FFCDRN CC(F)(F)CCS(=O)(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866829695 731105790 /nfs/dbraw/zinc/10/57/90/731105790.db2.gz YMQUXACXYAVCSN-CQSZACIVSA-N 0 0 363.426 2.748 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)c1 ZINC000866841671 731107353 /nfs/dbraw/zinc/10/73/53/731107353.db2.gz KDWWASGAVLOCOZ-ZANVPECISA-N 0 0 368.282 2.965 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)C[C@@H]3CCC(F)(F)C3)C2)cc1 ZINC000867496661 731191944 /nfs/dbraw/zinc/19/19/44/731191944.db2.gz GSHYONNYHBORPD-ZIAGYGMSSA-N 0 0 374.453 2.629 20 10 FFCDRN CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccccc2O)c1 ZINC000867833957 731231794 /nfs/dbraw/zinc/23/17/94/731231794.db2.gz ANWJCSLEKPTXJW-CYBMUJFWSA-N 0 0 362.451 2.524 20 10 FFCDRN Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000867961012 731246072 /nfs/dbraw/zinc/24/60/72/731246072.db2.gz BCAZXLRSQUTRTP-UHFFFAOYSA-N 0 0 363.820 2.828 20 10 FFCDRN CCO[C@H](C(=O)NCc1cc(Br)ccc1O)C1CCOCC1 ZINC000868306867 731279899 /nfs/dbraw/zinc/27/98/99/731279899.db2.gz FPIWYAZOAUPNFP-HNNXBMFYSA-N 0 0 372.259 2.603 20 10 FFCDRN CCS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000868480092 731296531 /nfs/dbraw/zinc/29/65/31/731296531.db2.gz SBYYAXLBJHTVJJ-ZDUSSCGKSA-N 0 0 362.451 2.746 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@@H]3C[C@H]3C(F)(F)F)C2)cc1 ZINC000868720424 731323643 /nfs/dbraw/zinc/32/36/43/731323643.db2.gz LNRFBGGOQRKSRL-KCPJHIHWSA-N 0 0 357.376 2.772 20 10 FFCDRN CS[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000868984620 731352137 /nfs/dbraw/zinc/35/21/37/731352137.db2.gz ASJZAOPWECYTNI-SAABIXHNSA-N 0 0 363.527 2.589 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cnn(C(F)F)c3)C2)cc1 ZINC000870441127 731515062 /nfs/dbraw/zinc/51/50/62/731515062.db2.gz UHDPJXXHVSWLDT-GFCCVEGCSA-N 0 0 351.353 2.970 20 10 FFCDRN CN(C(=O)CSCC(=O)N1Cc2cccc(O)c2C1)C1CCCCC1 ZINC000871197958 731605242 /nfs/dbraw/zinc/60/52/42/731605242.db2.gz BESQDCUBLPUOBD-UHFFFAOYSA-N 0 0 362.495 2.759 20 10 FFCDRN C[C@H](CC(F)(F)F)CS(=O)(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000656923003 731674919 /nfs/dbraw/zinc/67/49/19/731674919.db2.gz NXIGUSBHZWYDQH-LLVKDONJSA-N 0 0 366.405 2.870 20 10 FFCDRN O=C(NCc1ncc(Cl)s1)NCc1ccc(N2CCOCC2)cc1 ZINC000872849551 731841763 /nfs/dbraw/zinc/84/17/63/731841763.db2.gz VFBPBAOVWJNJGV-UHFFFAOYSA-N 0 0 366.874 2.633 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@H]1CC12CCC2 ZINC000873038115 731866838 /nfs/dbraw/zinc/86/68/38/731866838.db2.gz IJTZSVPISBNLNN-HNNXBMFYSA-N 0 0 351.397 2.543 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873145096 731880922 /nfs/dbraw/zinc/88/09/22/731880922.db2.gz ILHYJBPNYXMKOR-OSMZGAPFSA-N 0 0 369.259 2.912 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ocnc3C(F)(F)F)CC2)cc1 ZINC000873779426 731963300 /nfs/dbraw/zinc/96/33/00/731963300.db2.gz UZGOCSMPUDJWSX-UHFFFAOYSA-N 0 0 355.316 2.664 20 10 FFCDRN CCn1ncc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1Br ZINC000874250222 732031089 /nfs/dbraw/zinc/03/10/89/732031089.db2.gz KAMSYIGYRRJIGP-UHFFFAOYSA-N 0 0 369.238 2.801 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2cc(OC)no2)cc1F ZINC000875261407 732139184 /nfs/dbraw/zinc/13/91/84/732139184.db2.gz MKQMHDICIKTLAK-UHFFFAOYSA-N 0 0 350.394 2.668 20 10 FFCDRN COC(=O)[C@]12CCC[C@H]1N(C(=O)NCCCSc1nccs1)CC2 ZINC000875376465 732149540 /nfs/dbraw/zinc/14/95/40/732149540.db2.gz OUDAKVAKGRAXSP-WBMJQRKESA-N 0 0 369.512 2.753 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1cnc(C)s1 ZINC000875673808 732179396 /nfs/dbraw/zinc/17/93/96/732179396.db2.gz SNZDDBBIMVQSOX-GFCCVEGCSA-N 0 0 361.467 2.773 20 10 FFCDRN COCCN(CC(=O)NCc1ccc(N(C)C)cc1)Cc1cccs1 ZINC000780858494 738582031 /nfs/dbraw/zinc/58/20/31/738582031.db2.gz JRAOAXBBPLOKOI-UHFFFAOYSA-N 0 0 361.511 2.579 20 10 FFCDRN Cc1ccc([C@H](C[NH2+]Cc2ccc(F)c(F)c2[O-])N2CCOCC2)o1 ZINC000876902203 732294655 /nfs/dbraw/zinc/29/46/55/732294655.db2.gz BMNKRIMSSYXBMT-HNNXBMFYSA-N 0 0 352.381 2.735 20 10 FFCDRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000877524253 732380449 /nfs/dbraw/zinc/38/04/49/732380449.db2.gz SWXOQZPIOXUKCU-IUCAKERBSA-N 0 0 370.425 2.837 20 10 FFCDRN C[N@H+](CCN1CC2(C1)CCOCC2)Cc1cccc(Br)c1[O-] ZINC000877765883 732425973 /nfs/dbraw/zinc/42/59/73/732425973.db2.gz SLNCMTSNJIWOAC-UHFFFAOYSA-N 0 0 369.303 2.699 20 10 FFCDRN C[C@H](NC(=O)Cc1c(Br)cnn1C)c1ccc(N(C)C)cc1 ZINC000879538948 732717972 /nfs/dbraw/zinc/71/79/72/732717972.db2.gz NGDPOWKENBLFFO-NSHDSACASA-N 0 0 365.275 2.669 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cc(Br)nn2C)cc1F ZINC000879645696 732742223 /nfs/dbraw/zinc/74/22/23/732742223.db2.gz VHVLBXOVSPQWDM-UHFFFAOYSA-N 0 0 370.226 2.709 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H](C)C(=O)NCc2ccco2)c1 ZINC000781630496 738642518 /nfs/dbraw/zinc/64/25/18/738642518.db2.gz VAUBBUZYXNPNJR-NSHDSACASA-N 0 0 367.243 2.851 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccnc(N(C)C)n2)c1 ZINC000781637333 738644045 /nfs/dbraw/zinc/64/40/45/738644045.db2.gz CFVCQYGUUOUEGL-UHFFFAOYSA-N 0 0 351.248 2.609 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cn(C)nc2Br)cc1F ZINC000880043611 732828274 /nfs/dbraw/zinc/82/82/74/732828274.db2.gz LUOLHVDUJCKUBI-UHFFFAOYSA-N 0 0 370.226 2.709 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)CC3(C)CCC3)C2)cc1 ZINC000882276365 733202184 /nfs/dbraw/zinc/20/21/84/733202184.db2.gz HHUHJXLHBYAFGK-OAHLLOKOSA-N 0 0 352.500 2.631 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)cc(F)c1[O-] ZINC000927142488 738695802 /nfs/dbraw/zinc/69/58/02/738695802.db2.gz CLUCDIDFQGESKH-WPRPVWTQSA-N 0 0 369.238 2.630 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCS(=O)(=O)[C@@H](C)C1 ZINC000887187905 733891252 /nfs/dbraw/zinc/89/12/52/733891252.db2.gz OAZMOFIVGRNGPY-KBPBESRZSA-N 0 0 366.508 2.851 20 10 FFCDRN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)NCCCSc3nccs3)O2)CO1 ZINC000888565548 734072617 /nfs/dbraw/zinc/07/26/17/734072617.db2.gz NJJVZEPXXJTHEU-DVOMOZLQSA-N 0 0 371.528 2.651 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCC[C@H]1CCCS1(=O)=O ZINC000889816049 734229155 /nfs/dbraw/zinc/22/91/55/734229155.db2.gz PCWNURLYCQBWFW-MRXNPFEDSA-N 0 0 368.499 2.671 20 10 FFCDRN CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890757482 734336378 /nfs/dbraw/zinc/33/63/78/734336378.db2.gz FGOYQYQDPXAJQT-ZDUSSCGKSA-N 0 0 352.862 2.947 20 10 FFCDRN CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1cccc(Cl)c1O ZINC000890760804 734336880 /nfs/dbraw/zinc/33/68/80/734336880.db2.gz ZJFRUHXDOVGIGW-DOMZBBRYSA-N 0 0 367.877 2.882 20 10 FFCDRN COCC[C@@H](COC)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708124649 734362629 /nfs/dbraw/zinc/36/26/29/734362629.db2.gz IKZNAYZHFUKLIU-NSHDSACASA-N 0 0 352.656 2.949 20 10 FFCDRN CC(C)(CS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708179146 734362631 /nfs/dbraw/zinc/36/26/31/734362631.db2.gz SKZYEBMNOFLULY-UHFFFAOYSA-N 0 0 370.696 2.721 20 10 FFCDRN O=C(Nc1nncs1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726608762 734437027 /nfs/dbraw/zinc/43/70/27/734437027.db2.gz BESXCYSAOYKVPH-UHFFFAOYSA-N 0 0 369.397 2.930 20 10 FFCDRN CCc1nc(CCNC(=O)NCc2ccc(N(C)C)c(F)c2)cs1 ZINC000726618986 734437340 /nfs/dbraw/zinc/43/73/40/734437340.db2.gz IQAYXRDVSPGRFL-UHFFFAOYSA-N 0 0 350.463 2.953 20 10 FFCDRN COC(=O)c1ccc(/C=C2\N=C(C3=S=C4CCCCC4=C3)OC2=O)o1 ZINC000726750301 734443033 /nfs/dbraw/zinc/44/30/33/734443033.db2.gz QQNMOLNYOLGBDA-XFXZXTDPSA-N 0 0 357.387 2.954 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000728981973 734552887 /nfs/dbraw/zinc/55/28/87/734552887.db2.gz GOODFRMUOTTZER-GFCCVEGCSA-N 0 0 363.435 2.604 20 10 FFCDRN Cc1cc(CC(=O)N2CCNC(=O)[C@@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC000729532650 734582986 /nfs/dbraw/zinc/58/29/86/734582986.db2.gz FWYCAIHHICMNTM-AWEZNQCLSA-N 0 0 359.857 2.637 20 10 FFCDRN Cc1cc(CCNS(=O)(=O)C[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000731671097 734690304 /nfs/dbraw/zinc/69/03/04/734690304.db2.gz JOMIJMGLVQETNH-KRWDZBQOSA-N 0 0 362.495 2.593 20 10 FFCDRN O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000731870081 734702200 /nfs/dbraw/zinc/70/22/00/734702200.db2.gz BFTRDUKPXOSWDY-UHFFFAOYSA-N 0 0 365.842 2.993 20 10 FFCDRN O=C(NCC1(c2ccc3c(c2)OCO3)CCOCC1)C1=CC(=O)CS1 ZINC000731871659 734702535 /nfs/dbraw/zinc/70/25/35/734702535.db2.gz PPYKJUDCTOFEFI-UHFFFAOYSA-N 0 0 361.419 2.661 20 10 FFCDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000893477952 734706224 /nfs/dbraw/zinc/70/62/24/734706224.db2.gz LQDIYJWNXIHCKZ-BTELXILVSA-N 0 0 358.891 2.925 20 10 FFCDRN Cc1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH]1 ZINC000732282513 734729961 /nfs/dbraw/zinc/72/99/61/734729961.db2.gz HYGGIPFADXUSGM-UHFFFAOYSA-N 0 0 350.369 2.718 20 10 FFCDRN O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732283000 734730042 /nfs/dbraw/zinc/73/00/42/734730042.db2.gz CQULBXQFWYCKAC-UHFFFAOYSA-N 0 0 355.419 2.533 20 10 FFCDRN O=C(COC(=O)C1=CC(=O)CS1)NCCc1ccc(OC(F)F)cc1 ZINC000732353995 734736818 /nfs/dbraw/zinc/73/68/18/734736818.db2.gz YCMOOVUTMRHEQJ-UHFFFAOYSA-N 0 0 371.361 2.571 20 10 FFCDRN Cc1ccc(NC(=O)NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732354958 734737387 /nfs/dbraw/zinc/73/73/87/734737387.db2.gz XQHXSWOMFNANEU-NSHDSACASA-N 0 0 362.407 2.964 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000733329123 734809586 /nfs/dbraw/zinc/80/95/86/734809586.db2.gz NGSDFDGESRNRIV-OAHLLOKOSA-N 0 0 369.303 2.888 20 10 FFCDRN COC(=O)N1CCC([C@@H](C)NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC000894293711 734831354 /nfs/dbraw/zinc/83/13/54/734831354.db2.gz FQSRKODCWKNWDZ-LLVKDONJSA-N 0 0 369.849 2.712 20 10 FFCDRN C[C@@H]1CCCC[C@@H]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000734017141 734867751 /nfs/dbraw/zinc/86/77/51/734867751.db2.gz CEYFFHUOZVMHLB-CHWSQXEVSA-N 0 0 354.472 2.710 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000734502313 734900302 /nfs/dbraw/zinc/90/03/02/734900302.db2.gz NWUIQWNLYINHJI-AWEZNQCLSA-N 0 0 360.479 2.863 20 10 FFCDRN O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C[C@H]2C1)C(F)(F)F ZINC000894899724 734933801 /nfs/dbraw/zinc/93/38/01/734933801.db2.gz ACNWBUXBZBJVKJ-ONGXEEELSA-N 0 0 364.314 2.513 20 10 FFCDRN O=C1CCC2=C(CC[N@@H+](Cc3cc(Br)cc(F)c3[O-])C2)N1 ZINC000895226124 734976326 /nfs/dbraw/zinc/97/63/26/734976326.db2.gz UDXYMJGQTCAWPJ-UHFFFAOYSA-N 0 0 355.207 2.664 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000738554993 735035096 /nfs/dbraw/zinc/03/50/96/735035096.db2.gz RMIJPXPFYDRRLK-UHFFFAOYSA-N 0 0 350.827 2.592 20 10 FFCDRN Cn1ncc(C(F)(F)F)c1CNC(=O)NCc1cccc(Cl)c1O ZINC000895956645 735080081 /nfs/dbraw/zinc/08/00/81/735080081.db2.gz QLTDWZJCVLXTIB-UHFFFAOYSA-N 0 0 362.739 2.797 20 10 FFCDRN CCCS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2O)cc1 ZINC000741069646 735115400 /nfs/dbraw/zinc/11/54/00/735115400.db2.gz ZFPNJDSIFZRCAF-UHFFFAOYSA-N 0 0 363.439 2.866 20 10 FFCDRN O=C(c1cc2occc2s1)N1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000741302071 735133081 /nfs/dbraw/zinc/13/30/81/735133081.db2.gz QVNMYHPLKNAOGY-UHFFFAOYSA-N 0 0 362.432 2.860 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCC2(CCOCC2)CO1 ZINC000896428389 735158684 /nfs/dbraw/zinc/15/86/84/735158684.db2.gz LGYAUCWGJXXXFQ-CQSZACIVSA-N 0 0 368.861 2.821 20 10 FFCDRN CCO[C@@H]1C[C@@](O)(CNC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC000897534791 735243860 /nfs/dbraw/zinc/24/38/60/735243860.db2.gz RZFVTSRZONOGMP-CRAIPNDOSA-N 0 0 365.451 2.608 20 10 FFCDRN CCO[C@H]1C[C@](O)(CNC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC000897534794 735243909 /nfs/dbraw/zinc/24/39/09/735243909.db2.gz RZFVTSRZONOGMP-YJBOKZPZSA-N 0 0 365.451 2.608 20 10 FFCDRN O=C1NCCN1CC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000897581856 735251502 /nfs/dbraw/zinc/25/15/02/735251502.db2.gz IMKOKZURVQPXNL-UHFFFAOYSA-N 0 0 358.269 2.936 20 10 FFCDRN O=C(NCc1c(O)cccc1F)C1CCC(OC[C@H]2CCCO2)CC1 ZINC000928706170 738897591 /nfs/dbraw/zinc/89/75/91/738897591.db2.gz OMCNEUVLLSYKAC-YMAMQOFZSA-N 0 0 351.418 2.902 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(Cl)c2cccnc12 ZINC000748482611 735649527 /nfs/dbraw/zinc/64/95/27/735649527.db2.gz VIQSGLIQWLTYHR-UHFFFAOYSA-N 0 0 355.781 2.849 20 10 FFCDRN CC(=C\c1cccc([N+](=O)[O-])c1)/C=C1\SC(N2CCOCC2)=NC1=O ZINC000787169697 739109818 /nfs/dbraw/zinc/10/98/18/739109818.db2.gz OQVLVEJEOKRBBY-QFPSWVGZSA-N 0 0 359.407 2.844 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN(C)CC(=O)NCc2ccco2)c1O ZINC000750033736 735767862 /nfs/dbraw/zinc/76/78/62/735767862.db2.gz ULCOQNVGWJLPMI-UHFFFAOYSA-N 0 0 350.802 2.589 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@@H]2c2cccs2)c1O ZINC000750053098 735768166 /nfs/dbraw/zinc/76/81/66/735768166.db2.gz GHIDSHVCGZXALB-HNNXBMFYSA-N 0 0 364.854 2.983 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1OCC(F)F ZINC000901442022 735779243 /nfs/dbraw/zinc/77/92/43/735779243.db2.gz FRHPPSBFTPMRBS-LCYFTJDESA-N 0 0 354.378 2.633 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2c(C)nn(C(C)C)c2C)c1 ZINC000751319471 735863603 /nfs/dbraw/zinc/86/36/03/735863603.db2.gz XBHGKXZAGBBHEN-NSHDSACASA-N 0 0 367.471 2.835 20 10 FFCDRN Cc1cc(CCNC(=O)N[C@@H](C)C[S@@](C)=O)c(C)n1-c1ccccc1 ZINC000784526410 738900760 /nfs/dbraw/zinc/90/07/60/738900760.db2.gz ICJWJKGAXSCXSM-HWRSSNJWSA-N 0 0 361.511 2.703 20 10 FFCDRN COC(=O)c1cc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)c[nH]1 ZINC000753139348 736040858 /nfs/dbraw/zinc/04/08/58/736040858.db2.gz SRCDRHHUIUJZQB-NTEUORMPSA-N 0 0 373.459 2.640 20 10 FFCDRN C[C@H]([NH2+]CCN1CCCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000903226547 736059971 /nfs/dbraw/zinc/05/99/71/736059971.db2.gz HDMHSAYMNPFNMM-NSHDSACASA-N 0 0 361.255 2.667 20 10 FFCDRN CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000903233145 736062712 /nfs/dbraw/zinc/06/27/12/736062712.db2.gz ASLJBJCRDRVPFE-LBPRGKRZSA-N 0 0 352.431 2.680 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1c([O-])cccc1F ZINC000903423976 736091017 /nfs/dbraw/zinc/09/10/17/736091017.db2.gz JUXMCVMWSIOLDZ-LBPRGKRZSA-N 0 0 352.431 2.778 20 10 FFCDRN COc1cc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])ccc1OCCO ZINC000756443674 736331786 /nfs/dbraw/zinc/33/17/86/736331786.db2.gz UBVGRXLLALOXFO-LLVKDONJSA-N 0 0 353.365 2.901 20 10 FFCDRN C[C@H]([NH2+]C[C@H](O)COc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756459531 736333049 /nfs/dbraw/zinc/33/30/49/736333049.db2.gz OUFBPUZWDWXZMP-FZMZJTMJSA-N 0 0 350.346 2.530 20 10 FFCDRN Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])CC2 ZINC000756535616 736339803 /nfs/dbraw/zinc/33/98/03/736339803.db2.gz NLGQAOVITJJGEF-WPRPVWTQSA-N 0 0 369.238 2.859 20 10 FFCDRN C[C@@H]([NH2+]CCN1CCSCC1)c1cc(Br)cc(F)c1[O-] ZINC000756575645 736344728 /nfs/dbraw/zinc/34/47/28/736344728.db2.gz IOIMYQORLKWSAW-SNVBAGLBSA-N 0 0 363.296 2.993 20 10 FFCDRN C[C@@H]([NH2+]CCNc1cnccn1)c1cc(Br)cc(F)c1[O-] ZINC000756645689 736349643 /nfs/dbraw/zinc/34/96/43/736349643.db2.gz INZUZTRHLJMHGP-SECBINFHSA-N 0 0 355.211 2.847 20 10 FFCDRN Cn1ccnc1[C@H]1CCN(C(=O)NCCCSc2nccs2)C1 ZINC000756719722 736355098 /nfs/dbraw/zinc/35/50/98/736355098.db2.gz CEJQQPUMAFGVAQ-LBPRGKRZSA-N 0 0 351.501 2.558 20 10 FFCDRN COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756733436 736356764 /nfs/dbraw/zinc/35/67/64/736356764.db2.gz PNLMLDMZKBNOBO-ZJUUUORDSA-N 0 0 350.228 2.996 20 10 FFCDRN COC(=O)N1CC([NH2+][C@H](C)c2cc(Br)cc(Cl)c2[O-])C1 ZINC000756762400 736359708 /nfs/dbraw/zinc/35/97/08/736359708.db2.gz ZKYDKOACRMVXCZ-SSDOTTSWSA-N 0 0 363.639 2.909 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756775709 736360752 /nfs/dbraw/zinc/36/07/52/736360752.db2.gz RLXXJEZYZLHZOA-ZDSQKVDBSA-N 0 0 359.239 2.859 20 10 FFCDRN C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1ccc(Br)cc1O ZINC000757637933 736414974 /nfs/dbraw/zinc/41/49/74/736414974.db2.gz PARKQHLTXRBCHO-SNVBAGLBSA-N 0 0 367.247 2.613 20 10 FFCDRN Cc1nn(C)c(C)c1[C@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000757889033 736433318 /nfs/dbraw/zinc/43/33/18/736433318.db2.gz OPQOPKMMCQFDDH-AWEZNQCLSA-N 0 0 356.348 2.845 20 10 FFCDRN C[C@H](NC(=S)NC[C@@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000758210639 736463387 /nfs/dbraw/zinc/46/33/87/736463387.db2.gz QNXNHKHVGBSAQO-YJBOKZPZSA-N 0 0 363.527 2.617 20 10 FFCDRN COc1cc(CNC(=O)NCCCSc2nccs2)ccc1O ZINC000759547805 736576336 /nfs/dbraw/zinc/57/63/36/736576336.db2.gz MCZJJQMOLZZBOZ-UHFFFAOYSA-N 0 0 353.469 2.839 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1ccc(-n2ccnc2)nc1 ZINC000759554312 736576820 /nfs/dbraw/zinc/57/68/20/736576820.db2.gz TTYUVJFTDMLQKT-UHFFFAOYSA-N 0 0 374.495 2.705 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](O)C(Cl)(Cl)Cl)c1 ZINC000907062015 736578038 /nfs/dbraw/zinc/57/80/38/736578038.db2.gz ZZUONOJIIBCRSR-CPCISQLKSA-N 0 0 356.633 2.699 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1cc2c([nH]c1=O)CCC2 ZINC000759583413 736578579 /nfs/dbraw/zinc/57/85/79/736578579.db2.gz YRUHRDOBGCJTSX-UHFFFAOYSA-N 0 0 364.496 2.714 20 10 FFCDRN COc1cccc([C@@H](O)CNC(=O)NCCCSc2nccs2)c1 ZINC000759601525 736580044 /nfs/dbraw/zinc/58/00/44/736580044.db2.gz NIOZXFJEEBYOJW-AWEZNQCLSA-N 0 0 367.496 2.667 20 10 FFCDRN C[C@@H](C[C@H]1CCOC1)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000759727403 736588995 /nfs/dbraw/zinc/58/89/95/736588995.db2.gz MCXOLDLEOLWZEJ-DOTOQJQBSA-N 0 0 363.527 2.854 20 10 FFCDRN Cc1cc(CC(=O)N(C)[C@@H]2CCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000760117107 736616229 /nfs/dbraw/zinc/61/62/29/736616229.db2.gz WIDPNLQYIYBORX-QGZVFWFLSA-N 0 0 359.857 2.637 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC[C@@H]1CCCO1 ZINC000760539915 736648580 /nfs/dbraw/zinc/64/85/80/736648580.db2.gz JCXHSGCSNHAODM-SFHVURJKSA-N 0 0 354.516 2.862 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCNC(=O)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000760856922 736674972 /nfs/dbraw/zinc/67/49/72/736674972.db2.gz UEHBHAWFOYLQGH-CYBMUJFWSA-N 0 0 370.352 2.786 20 10 FFCDRN CCC(CC)[C@@H](C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000761372800 736728519 /nfs/dbraw/zinc/72/85/19/736728519.db2.gz PXLVPOATHXTKOH-OAHLLOKOSA-N 0 0 366.527 2.610 20 10 FFCDRN Cc1cccc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)c1 ZINC000761565808 736745773 /nfs/dbraw/zinc/74/57/73/736745773.db2.gz HHEZEZUYISCNMQ-UHFFFAOYSA-N 0 0 359.407 2.713 20 10 FFCDRN C[C@H]1CN(CCC[NH2+]Cc2cccc(Br)c2[O-])CCCO1 ZINC000762481963 736828554 /nfs/dbraw/zinc/82/85/54/736828554.db2.gz JQJVSRIHBBKQSW-ZDUSSCGKSA-N 0 0 357.292 2.745 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2scnc2C2CC2)c1 ZINC000763133885 736904775 /nfs/dbraw/zinc/90/47/75/736904775.db2.gz BZHAIUJUWUNFHA-VIFPVBQESA-N 0 0 361.423 2.551 20 10 FFCDRN CC1(CS(=O)(=O)NCc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000763214954 736914825 /nfs/dbraw/zinc/91/48/25/736914825.db2.gz CEBSEPPIIMBIPN-UHFFFAOYSA-N 0 0 366.527 2.913 20 10 FFCDRN O=C(NCCOCC1CCC1)NCc1cccc(Br)c1O ZINC000764806733 737051863 /nfs/dbraw/zinc/05/18/63/737051863.db2.gz PTOFWAJKKOAUII-UHFFFAOYSA-N 0 0 357.248 2.771 20 10 FFCDRN Cc1[nH]nc2ncc(C(=O)NCc3cccc(Br)c3O)cc12 ZINC000765735003 737150837 /nfs/dbraw/zinc/15/08/37/737150837.db2.gz BPUZEAMHZWAOSY-UHFFFAOYSA-N 0 0 361.199 2.664 20 10 FFCDRN CCc1cc(C(=O)NCc2cccc(Br)c2O)c(C)nn1 ZINC000765766026 737156437 /nfs/dbraw/zinc/15/64/37/737156437.db2.gz UVPARZJIKUKDTM-UHFFFAOYSA-N 0 0 350.216 2.746 20 10 FFCDRN C[C@H](CO)COC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O ZINC000766660215 737248931 /nfs/dbraw/zinc/24/89/31/737248931.db2.gz HHXOYPVJXOCJTI-SNVBAGLBSA-N 0 0 358.777 2.901 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC([C@H](F)C(N)=O)CC1 ZINC000913116446 737380539 /nfs/dbraw/zinc/38/05/39/737380539.db2.gz YLILRDPLYMCQPB-HNNXBMFYSA-N 0 0 363.458 2.831 20 10 FFCDRN CC(C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000768326969 737414023 /nfs/dbraw/zinc/41/40/23/737414023.db2.gz LMUHZPYKHFQGEM-UHFFFAOYSA-N 0 0 355.276 2.891 20 10 FFCDRN CCN(CC)c1ccc(CN2CCCC[C@H]2CNS(C)(=O)=O)cc1F ZINC000768342145 737414766 /nfs/dbraw/zinc/41/47/66/737414766.db2.gz QABGMTWSHYBELK-INIZCTEOSA-N 0 0 371.522 2.576 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](CO)Cc2cncs2)cc1 ZINC000913697857 737434284 /nfs/dbraw/zinc/43/42/84/737434284.db2.gz PNRDFCRYOLDSNN-MRXNPFEDSA-N 0 0 355.463 2.884 20 10 FFCDRN CN1C(=O)C[C@@H](NC(=O)C2=CC(=O)CS2)[C@@H]1c1ccc(Cl)cc1 ZINC000768752550 737455125 /nfs/dbraw/zinc/45/51/25/737455125.db2.gz CZDDAGSXCVRLJW-DOMZBBRYSA-N 0 0 350.827 2.809 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnn(C2CCC2)c1 ZINC000913878016 737463449 /nfs/dbraw/zinc/46/34/49/737463449.db2.gz KLZAOHYJVZNFRN-UHFFFAOYSA-N 0 0 362.499 2.885 20 10 FFCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cnn(C2CCC2)c1 ZINC000913915500 737471541 /nfs/dbraw/zinc/47/15/41/737471541.db2.gz FROQYSOSXUQDAL-UHFFFAOYSA-N 0 0 360.483 2.687 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cn(-c3ccc(Cl)cc3)nn2)cc1 ZINC000914750877 737592083 /nfs/dbraw/zinc/59/20/83/737592083.db2.gz LYBWDGRQENUMPB-UHFFFAOYSA-N 0 0 355.829 2.917 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]([C@@H]2CCOC2)C(F)(F)F)cc1F ZINC000915367241 737626952 /nfs/dbraw/zinc/62/69/52/737626952.db2.gz XQHKLQZFOJBUES-RISCZKNCSA-N 0 0 363.355 2.658 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(Br)cc1O ZINC000770629568 737647165 /nfs/dbraw/zinc/64/71/65/737647165.db2.gz IUPWOHCVPAAWMW-UHFFFAOYSA-N 0 0 352.184 2.538 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2c(C)cccc2SC)c1O ZINC000770747674 737659774 /nfs/dbraw/zinc/65/97/74/737659774.db2.gz NORLAQQEUAFGJT-UHFFFAOYSA-N 0 0 360.435 2.686 20 10 FFCDRN CC(C)[C@](C)(O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000771377534 737719820 /nfs/dbraw/zinc/71/98/20/737719820.db2.gz DRTUJQOUUCHVHW-UGSOOPFHSA-N 0 0 356.413 2.780 20 10 FFCDRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917927945 737784952 /nfs/dbraw/zinc/78/49/52/737784952.db2.gz OFTSAIKISJFHAW-IYBDPMFKSA-N 0 0 365.543 2.940 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000918745922 737823110 /nfs/dbraw/zinc/82/31/10/737823110.db2.gz UMCOLALWTNYHJX-FZMZJTMJSA-N 0 0 362.348 2.700 20 10 FFCDRN C[C@H](NC(=O)CCS(=O)(=O)C1CCCC1)c1ccc(N(C)C)cc1 ZINC000773008079 737863020 /nfs/dbraw/zinc/86/30/20/737863020.db2.gz BZHVGKKCIRDQKR-AWEZNQCLSA-N 0 0 352.500 2.677 20 10 FFCDRN C[C@H](NC(=O)NCCCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773232897 737883410 /nfs/dbraw/zinc/88/34/10/737883410.db2.gz WKAHDNFPZCJKKT-ZDUSSCGKSA-N 0 0 360.424 2.997 20 10 FFCDRN C[C@H](NC(=O)N[C@H]1CCN(CC(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000773370642 737899786 /nfs/dbraw/zinc/89/97/86/737899786.db2.gz GHVVALMWKLSMOM-JSGCOSHPSA-N 0 0 358.408 2.749 20 10 FFCDRN COCc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1 ZINC000773376067 737900231 /nfs/dbraw/zinc/90/02/31/737900231.db2.gz QLDWOKUOEXNZDO-UHFFFAOYSA-N 0 0 365.480 2.527 20 10 FFCDRN Cc1cc(COC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(C)s1 ZINC000920637820 737918565 /nfs/dbraw/zinc/91/85/65/737918565.db2.gz KPXABEHYWMMDSL-UHFFFAOYSA-N 0 0 355.437 2.799 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(-c2cccnc2)s1 ZINC000773743781 737932483 /nfs/dbraw/zinc/93/24/83/737932483.db2.gz KWKBUXTVILGYQY-NSHDSACASA-N 0 0 355.419 2.977 20 10 FFCDRN CCN1C(=O)C(=CN[C@H](C)c2ccccc2Cl)C(=O)N(CC)C1=S ZINC000920980569 737937962 /nfs/dbraw/zinc/93/79/62/737937962.db2.gz QIBHOKBIZVOGOM-LLVKDONJSA-N 0 0 365.886 2.870 20 10 FFCDRN Cn1nc(CNC(=O)NCCCSc2nccs2)cc1C1CC1 ZINC000921447977 737986271 /nfs/dbraw/zinc/98/62/71/737986271.db2.gz ZPBCNHJKXVTMFC-UHFFFAOYSA-N 0 0 351.501 2.736 20 10 FFCDRN COc1c(O)c(CN(CC(=O)OC(C)(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000774906683 738039039 /nfs/dbraw/zinc/03/90/39/738039039.db2.gz CWGUOOLFDOIGCI-UHFFFAOYSA-N 0 0 354.403 2.861 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@]2(N(C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774979308 738047402 /nfs/dbraw/zinc/04/74/02/738047402.db2.gz TWLHBWLFBUUYJE-ACJLOTCBSA-N 0 0 351.447 2.909 20 10 FFCDRN CC(=O)Nc1nc(CN[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000775255808 738076520 /nfs/dbraw/zinc/07/65/20/738076520.db2.gz RBECYYIGYAMYLG-ZDUSSCGKSA-N 0 0 360.483 2.789 20 10 FFCDRN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)cn1C ZINC000775291520 738079875 /nfs/dbraw/zinc/07/98/75/738079875.db2.gz KVSYZMZWQVNHHW-UHFFFAOYSA-N 0 0 366.439 2.633 20 10 FFCDRN O=C(c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1)N1CCOCC1 ZINC000775847490 738131334 /nfs/dbraw/zinc/13/13/34/738131334.db2.gz GVFPHWVRNJIISL-UHFFFAOYSA-N 0 0 360.841 2.808 20 10 FFCDRN CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(Br)c1[O-] ZINC000922401658 738138672 /nfs/dbraw/zinc/13/86/72/738138672.db2.gz SGEYOGMUWXTGCK-UKRRQHHQSA-N 0 0 366.259 2.991 20 10 FFCDRN COC(=O)C[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(SC)cc1 ZINC000776647420 738218704 /nfs/dbraw/zinc/21/87/04/738218704.db2.gz FKXIJLPPHJGFIA-CQSZACIVSA-N 0 0 361.419 2.854 20 10 FFCDRN CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000776809705 738235130 /nfs/dbraw/zinc/23/51/30/738235130.db2.gz UMJKPYOYWYKYGH-CHWSQXEVSA-N 0 0 351.403 2.647 20 10 FFCDRN CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000776809710 738235157 /nfs/dbraw/zinc/23/51/57/738235157.db2.gz UMJKPYOYWYKYGH-STQMWFEESA-N 0 0 351.403 2.647 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2c(C)ccc3cccnc32)c1O ZINC000778007005 738341692 /nfs/dbraw/zinc/34/16/92/738341692.db2.gz YTXWOBNEBVSJOR-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1[nH]nc(C2CC2)c1Br ZINC000928712323 738898699 /nfs/dbraw/zinc/89/86/99/738898699.db2.gz RFTSORHXAVBRAD-UHFFFAOYSA-N 0 0 354.179 2.824 20 10 FFCDRN CC(C)[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000778620659 738399455 /nfs/dbraw/zinc/39/94/55/738399455.db2.gz QGDXWMXBJIYRRJ-GOSISDBHSA-N 0 0 363.527 2.806 20 10 FFCDRN NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)OC(=O)C1=CC(=O)CS1 ZINC000785318565 738953852 /nfs/dbraw/zinc/95/38/52/738953852.db2.gz YDCCQPILTJVNRJ-LLVKDONJSA-N 0 0 359.325 2.726 20 10 FFCDRN CCC1(CC)CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCS1 ZINC000785424731 738962722 /nfs/dbraw/zinc/96/27/22/738962722.db2.gz TVYZJKQCXADEBZ-UHFFFAOYSA-N 0 0 363.527 2.503 20 10 FFCDRN C[C@@H](NC(=O)Cc1ccc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC000785956284 739014282 /nfs/dbraw/zinc/01/42/82/739014282.db2.gz RAIIVRPUOBIPIF-CQSZACIVSA-N 0 0 359.857 2.992 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1c(F)cncc1F ZINC000929974745 739044348 /nfs/dbraw/zinc/04/43/48/739044348.db2.gz AIPBQIWUFNKJSQ-UHFFFAOYSA-N 0 0 356.756 2.894 20 10 FFCDRN CC(C)[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000786722546 739072545 /nfs/dbraw/zinc/07/25/45/739072545.db2.gz BWHZGMWEVAPFFH-HNNXBMFYSA-N 0 0 359.392 2.909 20 10 FFCDRN Cc1ccc(CNC(=O)C(=O)NCCCSc2nccs2)c(C)c1 ZINC000787299401 739124426 /nfs/dbraw/zinc/12/44/26/739124426.db2.gz UOWJEXKERNKDLM-UHFFFAOYSA-N 0 0 363.508 2.675 20 10 FFCDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000789951977 739399019 /nfs/dbraw/zinc/39/90/19/739399019.db2.gz MTSLRJAWXMQUKU-INIZCTEOSA-N 0 0 368.543 2.918 20 10 FFCDRN O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1c(F)ccc(O)c1O ZINC000789979244 739402010 /nfs/dbraw/zinc/40/20/10/739402010.db2.gz RDQREKDTTCAJQU-UHFFFAOYSA-N 0 0 363.732 2.870 20 10 FFCDRN O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1c(F)ccc(O)c1O ZINC000789989621 739402837 /nfs/dbraw/zinc/40/28/37/739402837.db2.gz KEMYILUIQSERBM-SECBINFHSA-N 0 0 352.312 2.524 20 10 FFCDRN O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1c(F)ccc(O)c1O ZINC000789996962 739404423 /nfs/dbraw/zinc/40/44/23/739404423.db2.gz WNTMENFBNDKHOQ-LBPRGKRZSA-N 0 0 359.275 2.719 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3cnn(C)c3Cl)C2)cc1 ZINC000932397024 739445190 /nfs/dbraw/zinc/44/51/90/739445190.db2.gz LBZZYSWTUHFMGL-LBPRGKRZSA-N 0 0 363.849 2.730 20 10 FFCDRN CCCOCC(=O)Nc1ccc(N2CCC(O)CC2)cc1OCCC ZINC000791247364 739540202 /nfs/dbraw/zinc/54/02/02/739540202.db2.gz XJGNELKWOYKWDS-UHFFFAOYSA-N 0 0 350.459 2.802 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccccc1S(=O)(=O)C1CC1 ZINC000933268143 739591915 /nfs/dbraw/zinc/59/19/15/739591915.db2.gz RUJQXUFYHBHFQL-UHFFFAOYSA-N 0 0 360.435 2.992 20 10 FFCDRN COC(=O)[C@@H](NCc1cc(Br)ccc1O)c1cccc(O)c1 ZINC000792178292 739647201 /nfs/dbraw/zinc/64/72/01/739647201.db2.gz AYNZQMMZKVJRML-HNNXBMFYSA-N 0 0 366.211 2.864 20 10 FFCDRN CCNS(=O)(=O)c1ccc2c(c1)N(Cc1cc(Cl)ccc1O)CC2 ZINC000792176431 739647301 /nfs/dbraw/zinc/64/73/01/739647301.db2.gz DFDOCCRYGVVPGZ-UHFFFAOYSA-N 0 0 366.870 2.907 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C[C@H]2CCOC2)c1O ZINC000933670150 739670197 /nfs/dbraw/zinc/67/01/97/739670197.db2.gz HYXNZPFDZBCJIX-CZUORRHYSA-N 0 0 353.846 2.876 20 10 FFCDRN CN(C)c1ccc(CN(CCS(C)(=O)=O)C2CC2)c(C(F)(F)F)c1 ZINC000792839178 739711423 /nfs/dbraw/zinc/71/14/23/739711423.db2.gz USBXNQFJTBXEPO-UHFFFAOYSA-N 0 0 364.433 2.780 20 10 FFCDRN CC[C@@H]([NH2+]CCn1cc(C(=O)OC)nn1)c1ccc(Cl)c(Cl)c1[O-] ZINC000793572017 739795146 /nfs/dbraw/zinc/79/51/46/739795146.db2.gz VEOCMLIVEQYRPJ-LLVKDONJSA-N 0 0 373.240 2.818 20 10 FFCDRN COc1ccc(CNC(=O)C(C)(C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000794387947 739885807 /nfs/dbraw/zinc/88/58/07/739885807.db2.gz POSCJRYPNARXNT-UHFFFAOYSA-N 0 0 352.431 2.568 20 10 FFCDRN COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(C)C)cc1C(F)(F)F ZINC000794782088 739929901 /nfs/dbraw/zinc/92/99/01/739929901.db2.gz PINISCKOSLLMLO-ZDUSSCGKSA-N 0 0 357.332 2.572 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2ccc(Cl)cc2OC)c(O)c1 ZINC000795358010 740009552 /nfs/dbraw/zinc/00/95/52/740009552.db2.gz JQQHHCONXNXUPA-UHFFFAOYSA-N 0 0 357.815 2.541 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(S(C)(=O)=O)nc1 ZINC000935855498 740021598 /nfs/dbraw/zinc/02/15/98/740021598.db2.gz 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/nfs/dbraw/zinc/27/58/91/740275891.db2.gz ASMXUHNQVWKCHG-UHFFFAOYSA-N 0 0 367.423 2.620 20 10 FFCDRN COCC[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000798940384 740375418 /nfs/dbraw/zinc/37/54/18/740375418.db2.gz GNXBWILLTWVTFP-PSASIEDQSA-N 0 0 352.656 2.856 20 10 FFCDRN O=C(COc1ccsc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000800498066 740528425 /nfs/dbraw/zinc/52/84/25/740528425.db2.gz AUQPWXWHIIHIPK-UHFFFAOYSA-N 0 0 360.479 2.652 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CC3OCCO3)cc2Cl)C1 ZINC000800572348 740534666 /nfs/dbraw/zinc/53/46/66/740534666.db2.gz WEHPSJBATCCOTM-CYBMUJFWSA-N 0 0 352.862 2.956 20 10 FFCDRN COc1ccc(N2CCN(c3nc([C@@H](C)OC)ns3)CC2)cc1F ZINC000800857246 740557403 /nfs/dbraw/zinc/55/74/03/740557403.db2.gz KTAYHULQHPQJPB-LLVKDONJSA-N 0 0 352.435 2.720 20 10 FFCDRN CCNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000800940722 740569347 /nfs/dbraw/zinc/56/93/47/740569347.db2.gz JSOQRHWSMUZPFA-OAHLLOKOSA-N 0 0 350.463 2.638 20 10 FFCDRN CCc1csc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000801140419 740587484 /nfs/dbraw/zinc/58/74/84/740587484.db2.gz MGUVMZPICIEHHU-CQSZACIVSA-N 0 0 359.495 2.962 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@@H](C(F)F)C2)c1O ZINC000802653507 740715873 /nfs/dbraw/zinc/71/58/73/740715873.db2.gz NQYNNSFGWDJDKY-LLVKDONJSA-N 0 0 352.175 2.629 20 10 FFCDRN O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccc1O ZINC000802777969 740729987 /nfs/dbraw/zinc/72/99/87/740729987.db2.gz ULRINEMIZGSIRZ-UHFFFAOYSA-N 0 0 367.854 2.916 20 10 FFCDRN Cc1cc(C(=O)NCCc2nnc(N)o2)c(C)n1-c1ccc(Cl)cc1 ZINC000803149863 740770023 /nfs/dbraw/zinc/77/00/23/740770023.db2.gz YWBYGJCWNWAIHG-UHFFFAOYSA-N 0 0 359.817 2.685 20 10 FFCDRN CCc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1F ZINC000804267412 740857744 /nfs/dbraw/zinc/85/77/44/740857744.db2.gz PTQBVMKCRDQBNK-UHFFFAOYSA-N 0 0 352.387 2.718 20 10 FFCDRN Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cc(Br)ccc1O ZINC000804733568 740900150 /nfs/dbraw/zinc/90/01/50/740900150.db2.gz UAOKJSACPMBGAA-UHFFFAOYSA-N 0 0 366.171 2.575 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1ccnc(-n2ccnc2)c1 ZINC000804732829 740900162 /nfs/dbraw/zinc/90/01/62/740900162.db2.gz DAVUXNGNBUXTIA-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804735477 740900642 /nfs/dbraw/zinc/90/06/42/740900642.db2.gz APVRHOFTEGVPAZ-QMMMGPOBSA-N 0 0 352.232 2.915 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1ccc2[nH]c(=O)oc2c1 ZINC000804734057 740900670 /nfs/dbraw/zinc/90/06/70/740900670.db2.gz BBIYJWQEDLDENP-UHFFFAOYSA-N 0 0 363.167 2.932 20 10 FFCDRN C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1cc(Br)ccc1O ZINC000804737995 740901397 /nfs/dbraw/zinc/90/13/97/740901397.db2.gz YDCCCAQPBKPMHD-SMDDNHRTSA-N 0 0 372.259 2.745 20 10 FFCDRN Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC000804738279 740901503 /nfs/dbraw/zinc/90/15/03/740901503.db2.gz JXHAEMBDIGDLRO-SECBINFHSA-N 0 0 366.259 2.925 20 10 FFCDRN CC(C)c1cc(C(=O)NCc2cc(Br)ccc2O)n(C)n1 ZINC000804738834 740901809 /nfs/dbraw/zinc/90/18/09/740901809.db2.gz GNOPOICGRGUDDB-UHFFFAOYSA-N 0 0 352.232 2.942 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(-n2ccnn2)cc1 ZINC000804740859 740902186 /nfs/dbraw/zinc/90/21/86/740902186.db2.gz NHYIENFKLXCYDP-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN Nc1cc(C(=O)NCc2cc(Br)ccc2O)cc(Cl)n1 ZINC000804739735 740902193 /nfs/dbraw/zinc/90/21/93/740902193.db2.gz QQXJUHTWBVGRNM-UHFFFAOYSA-N 0 0 356.607 2.715 20 10 FFCDRN NC(=O)c1cnc(NCc2cc(Br)ccc2O)c(Cl)c1 ZINC000804828653 740908273 /nfs/dbraw/zinc/90/82/73/740908273.db2.gz VKGSAOPAJMCTHN-UHFFFAOYSA-N 0 0 356.607 2.914 20 10 FFCDRN O=C(NCCOCC(F)(F)F)NCc1cc(Br)ccc1O ZINC000804944793 740918815 /nfs/dbraw/zinc/91/88/15/740918815.db2.gz IGVVBDMRRLPVCB-UHFFFAOYSA-N 0 0 371.153 2.533 20 10 FFCDRN C[C@@H]1COCC[C@@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000804969667 740921173 /nfs/dbraw/zinc/92/11/73/740921173.db2.gz RPORQWLHFDOOOZ-NVXWUHKLSA-N 0 0 363.527 2.712 20 10 FFCDRN CCc1cc(NC(=O)NCc2cc(Br)ccc2O)n(C)n1 ZINC000806272519 741049126 /nfs/dbraw/zinc/04/91/26/741049126.db2.gz 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FFCDRN COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c3nonc32)cc1F ZINC000814385668 741817158 /nfs/dbraw/zinc/81/71/58/741817158.db2.gz KOLHGUAWIOWTEA-UHFFFAOYSA-N 0 0 371.777 2.849 20 10 FFCDRN Cc1nc([C@@H]2CCCOC2)sc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000815834230 741964561 /nfs/dbraw/zinc/96/45/61/741964561.db2.gz ZIUUOBZMGGYVCP-CYBMUJFWSA-N 0 0 362.451 2.729 20 10 FFCDRN O=C(NCCC[NH2+]Cc1cc(Cl)c(F)cc1[O-])c1cccc(O)c1 ZINC000816544388 742040337 /nfs/dbraw/zinc/04/03/37/742040337.db2.gz GMSXTEVWUABXHU-UHFFFAOYSA-N 0 0 352.793 2.800 20 10 FFCDRN CCOC(=O)[C@H](F)C1CN(Cc2cc(C)cc(Br)c2O)C1 ZINC000816635029 742049236 /nfs/dbraw/zinc/04/92/36/742049236.db2.gz AGVNJQDYGAUFNP-CYBMUJFWSA-N 0 0 360.223 2.796 20 10 FFCDRN CC[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000817176820 742101797 /nfs/dbraw/zinc/10/17/97/742101797.db2.gz MNNVFDPXGLUTGY-VXGBXAGGSA-N 0 0 357.248 2.912 20 10 FFCDRN C[C@H](CN)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817966410 742224877 /nfs/dbraw/zinc/22/48/77/742224877.db2.gz 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CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1CCC(=O)N1C ZINC000830149014 745314901 /nfs/dbraw/zinc/31/49/01/745314901.db2.gz AFCAHZZLIKLFTG-CYBMUJFWSA-N 0 0 369.259 2.514 20 10 FFCDRN Cc1csc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000830200426 745322507 /nfs/dbraw/zinc/32/25/07/745322507.db2.gz IBPOWKOWECCHEF-AWEZNQCLSA-N 0 0 366.508 2.933 20 10 FFCDRN CC(C)(C)OC(=O)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)(C)C ZINC000830531246 745376277 /nfs/dbraw/zinc/37/62/77/745376277.db2.gz FZOLSCIQFBVATP-OAHLLOKOSA-N 0 0 351.443 2.761 20 10 FFCDRN COC[C@](C)(O)CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000834844584 745913316 /nfs/dbraw/zinc/91/33/16/745913316.db2.gz RMSPKTHFULRQNB-YMTOWFKASA-N 0 0 350.228 2.732 20 10 FFCDRN Cc1c(Cl)cncc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000835235785 745976978 /nfs/dbraw/zinc/97/69/78/745976978.db2.gz TWGMIBCMLHWZDG-GFCCVEGCSA-N 0 0 360.845 2.925 20 10 FFCDRN CC(C)(O)C(C)(C)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000836242758 746173225 /nfs/dbraw/zinc/17/32/25/746173225.db2.gz 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COc1ccc([C@H](CO)C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000839185752 746797813 /nfs/dbraw/zinc/79/78/13/746797813.db2.gz ZCPKNHXCOUBNNI-ZDUSSCGKSA-N 0 0 366.801 2.828 20 10 FFCDRN Cc1nc(C(C)(C)NCC(=O)NCc2ccc(N(C)C)cc2)sc1C ZINC000839519805 746845418 /nfs/dbraw/zinc/84/54/18/746845418.db2.gz DOHTWVHFAMJCBL-UHFFFAOYSA-N 0 0 360.527 2.967 20 10 FFCDRN COc1cc2c(c(OC)c1)N([C@@H]1CCN(CC(F)(F)F)C1=O)CCC2 ZINC000839656881 746883127 /nfs/dbraw/zinc/88/31/27/746883127.db2.gz WHWQQIVCKGNZIB-CYBMUJFWSA-N 0 0 358.360 2.620 20 10 FFCDRN CC(=O)c1ncc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000839674949 746889197 /nfs/dbraw/zinc/88/91/97/746889197.db2.gz NHFPTLUQBYGPKH-AWEZNQCLSA-N 0 0 360.435 2.873 20 10 FFCDRN COc1ccc2ccc(O)c(CN3CCS(=O)(=O)[C@@H]4CCC[C@@H]43)c2c1 ZINC000840147797 747019602 /nfs/dbraw/zinc/01/96/02/747019602.db2.gz YYPGLEMBNWGSCL-PKOBYXMFSA-N 0 0 361.463 2.706 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCC(F)(F)[C@H]2O)cc1 ZINC000840263826 747051596 /nfs/dbraw/zinc/05/15/96/747051596.db2.gz XTQKILBYVSHYSC-CVEARBPZSA-N 0 0 355.429 2.881 20 10 FFCDRN COCc1cc(O)ccc1NS(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000840915293 747223541 /nfs/dbraw/zinc/22/35/41/747223541.db2.gz NYZVJQRKVIJPDR-UHFFFAOYSA-N 0 0 351.424 2.965 20 10 FFCDRN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2ccc(N(C)C)cc2C)cn1 ZINC000840941665 747236201 /nfs/dbraw/zinc/23/62/01/747236201.db2.gz HBAUPROJRBCPDD-CLOONOSVSA-N 0 0 360.527 2.583 20 10 FFCDRN C[C@@H](NC(=O)C1SCCCS1)c1ccc(N2CCOCC2)cc1 ZINC000841079447 747264985 /nfs/dbraw/zinc/26/49/85/747264985.db2.gz IDLXRKWESRTQRM-CYBMUJFWSA-N 0 0 352.525 2.897 20 10 FFCDRN Cc1nc(CC(C)C)c(NC(=O)C(=O)NCCc2ccc(N)cc2)s1 ZINC000841175228 747288966 /nfs/dbraw/zinc/28/89/66/747288966.db2.gz HYAYSPPOVPZRFB-UHFFFAOYSA-N 0 0 360.483 2.530 20 10 FFCDRN C[C@H]([C@@H](C)C(=O)N(Cc1ccco1)Cc1ccccc1O)S(C)(=O)=O ZINC000841402754 747339038 /nfs/dbraw/zinc/33/90/38/747339038.db2.gz GMNJVEULLGMBJE-ZIAGYGMSSA-N 0 0 365.451 2.583 20 10 FFCDRN Cc1sccc1/C=C1\SC(=S)N(CCN2CCOCC2)C1=O ZINC000841494600 747369121 /nfs/dbraw/zinc/36/91/21/747369121.db2.gz CUXHPLCLIIGNOG-RAXLEYEMSA-N 0 0 354.522 2.590 20 10 FFCDRN Nc1ccc(CCNC(=O)NCCNc2ncc(Cl)cc2Cl)cc1 ZINC000841698934 747434677 /nfs/dbraw/zinc/43/46/77/747434677.db2.gz GMLSGWGNFQVPTN-UHFFFAOYSA-N 0 0 368.268 2.924 20 10 FFCDRN C[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841748778 747448270 /nfs/dbraw/zinc/44/82/70/747448270.db2.gz YMPDMMMQYVRQGX-XJKSGUPXSA-N 0 0 353.894 2.639 20 10 FFCDRN C[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841748775 747448321 /nfs/dbraw/zinc/44/83/21/747448321.db2.gz YMPDMMMQYVRQGX-BBRMVZONSA-N 0 0 353.894 2.639 20 10 FFCDRN CC(=O)N(C)c1ccc(NC(=O)NCCCSc2nccs2)cn1 ZINC000841819879 747471516 /nfs/dbraw/zinc/47/15/16/747471516.db2.gz KNCWXNRFGNZVJC-UHFFFAOYSA-N 0 0 365.484 2.825 20 10 FFCDRN CO[C@@H](CS(=O)(=O)Nc1cc(C)c(O)c(C)c1C)C1CCOCC1 ZINC000842589190 747633467 /nfs/dbraw/zinc/63/34/67/747633467.db2.gz SAXSYNBTXFHTIE-INIZCTEOSA-N 0 0 357.472 2.501 20 10 FFCDRN Cn1nccc1[C@H](NCc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000842775496 747684316 /nfs/dbraw/zinc/68/43/16/747684316.db2.gz PSZILSJYTHSWDV-HNNXBMFYSA-N 0 0 351.834 2.952 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)CN(C)[C@@H]3CCSC3)C2)cc1 ZINC000842874224 747711816 /nfs/dbraw/zinc/71/18/16/747711816.db2.gz ATPNRHKRUBNRLT-DOTOQJQBSA-N 0 0 364.511 2.502 20 10 FFCDRN Nc1ccc(Cc2noc(-c3nc(N4CCCC4)ncc3Cl)n2)cc1 ZINC000843160310 747782390 /nfs/dbraw/zinc/78/23/90/747782390.db2.gz HGTXDBKVVPASDT-UHFFFAOYSA-N 0 0 356.817 2.953 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@@]3(CCSC3)C2)c1O ZINC000843418026 747833397 /nfs/dbraw/zinc/83/33/97/747833397.db2.gz NRAOWKHIOICZPE-HNNXBMFYSA-N 0 0 374.300 2.871 20 10 FFCDRN O=C(NCCc1ccc2c(c1)OCCO2)NCc1cc(Cl)ccc1O ZINC000844851202 748116672 /nfs/dbraw/zinc/11/66/72/748116672.db2.gz MPTHZNWTHBDIGS-UHFFFAOYSA-N 0 0 362.813 2.859 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC1CCN(c2ccccn2)CC1 ZINC000844885482 748125509 /nfs/dbraw/zinc/12/55/09/748125509.db2.gz JDIUOFZTBJSQMX-UHFFFAOYSA-N 0 0 360.845 2.909 20 10 FFCDRN CCC[C@H](C)[C@@H](CO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000844890105 748125988 /nfs/dbraw/zinc/12/59/88/748125988.db2.gz UBFKDDJSDBQOON-MAUKXSAKSA-N 0 0 365.543 2.836 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CSCCS2)cc1 ZINC000845028880 748163908 /nfs/dbraw/zinc/16/39/08/748163908.db2.gz DWWHPGJHVOEXSB-MRXNPFEDSA-N 0 0 369.556 2.621 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000845089503 748177738 /nfs/dbraw/zinc/17/77/38/748177738.db2.gz NJIVVRDDVYOMSV-CQSZACIVSA-N 0 0 365.861 2.778 20 10 FFCDRN COC(=O)c1cnc([C@@H](C)NC(=O)NCc2cc(Cl)ccc2O)s1 ZINC000845272665 748216866 /nfs/dbraw/zinc/21/68/66/748216866.db2.gz VQIQYHNZDFRMKQ-MRVPVSSYSA-N 0 0 369.830 2.849 20 10 FFCDRN COCC1(CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)CCC1 ZINC000845817359 748330612 /nfs/dbraw/zinc/33/06/12/748330612.db2.gz GFUSDGCIIFDAGK-UHFFFAOYSA-N 0 0 352.500 2.523 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2ccc(S(C)(=O)=O)s2)cc1 ZINC000846051989 748392912 /nfs/dbraw/zinc/39/29/12/748392912.db2.gz NYBJVYNUMSWJCA-UHFFFAOYSA-N 0 0 368.524 2.728 20 10 FFCDRN CCOc1ccc(CN[C@H](C(=O)OC)[C@@H]2CCC[C@H](OC)C2)c(O)c1 ZINC000846107557 748408979 /nfs/dbraw/zinc/40/89/79/748408979.db2.gz JLUYQLLGAHXHNM-XUWXXGDYSA-N 0 0 351.443 2.627 20 10 FFCDRN COc1c(O)c(CN2CCOc3cc(F)c(F)cc32)ccc1[N+](=O)[O-] ZINC000846122705 748411832 /nfs/dbraw/zinc/41/18/32/748411832.db2.gz LOZZHLADBRGIBT-UHFFFAOYSA-N 0 0 352.293 2.986 20 10 FFCDRN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846472064 748487016 /nfs/dbraw/zinc/48/70/16/748487016.db2.gz GJBYTTCFYZHKAW-MFKMUULPSA-N 0 0 356.875 2.609 20 10 FFCDRN CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846473203 748487782 /nfs/dbraw/zinc/48/77/82/748487782.db2.gz KGXFGXJHPNQOGE-CYBMUJFWSA-N 0 0 372.849 2.592 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCO[C@@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000846659335 748520895 /nfs/dbraw/zinc/52/08/95/748520895.db2.gz RQNCOCOHELSQGD-IAGOWNOFSA-N 0 0 358.463 2.569 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H](OC)C(C)(C)C)cc1 ZINC000846712742 748528723 /nfs/dbraw/zinc/52/87/23/748528723.db2.gz XVVSCWWOAHTWJE-QGZVFWFLSA-N 0 0 351.491 2.834 20 10 FFCDRN C[C@@H](CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)NC(N)=O ZINC000848035736 748831823 /nfs/dbraw/zinc/83/18/23/748831823.db2.gz BVQRVPJMTZCKCB-STQMWFEESA-N 0 0 366.893 2.639 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1cnccc1Cl ZINC000848232190 748881923 /nfs/dbraw/zinc/88/19/23/748881923.db2.gz ZDAMBVUHXMBNDZ-UHFFFAOYSA-N 0 0 362.813 2.575 20 10 FFCDRN CCn1cnnc1CN[C@H](C)c1cc(Br)cc(OC)c1O ZINC000848520215 748948104 /nfs/dbraw/zinc/94/81/04/748948104.db2.gz XBTORIDVJLFUTH-SECBINFHSA-N 0 0 355.236 2.626 20 10 FFCDRN COc1cc(CNc2cccc(S(N)(=O)=O)c2)c(O)c(C(C)(C)C)c1 ZINC000849346083 749108252 /nfs/dbraw/zinc/10/82/52/749108252.db2.gz YBAMGBHTQHIGHK-UHFFFAOYSA-N 0 0 364.467 2.958 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000849368787 749114183 /nfs/dbraw/zinc/11/41/83/749114183.db2.gz IKZXUGKUEDCXDB-GOSISDBHSA-N 0 0 354.516 2.767 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC000849371600 749116231 /nfs/dbraw/zinc/11/62/31/749116231.db2.gz YRXGCQIQDIMULA-LJQANCHMSA-N 0 0 366.527 2.911 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3sccc3C)C2)cc1 ZINC000849415567 749141904 /nfs/dbraw/zinc/14/19/04/749141904.db2.gz BYAFKUCEWRWRKY-CYBMUJFWSA-N 0 0 352.481 2.622 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)C[C@H]3CCCC3(F)F)C2)cc1 ZINC000849417066 749143255 /nfs/dbraw/zinc/14/32/55/749143255.db2.gz IDYVALRYTPVGAG-KGLIPLIRSA-N 0 0 374.453 2.629 20 10 FFCDRN C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000850506586 749377573 /nfs/dbraw/zinc/37/75/73/749377573.db2.gz FVBBRYHYRDANHL-ZUZCIYMTSA-N 0 0 350.242 2.518 20 10 FFCDRN C[C@]1(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1(F)F ZINC000851990196 749744270 /nfs/dbraw/zinc/74/42/70/749744270.db2.gz PFNTVQJSKQGCML-MRXNPFEDSA-N 0 0 357.376 2.507 20 10 FFCDRN CC(C)CSCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852227365 749807589 /nfs/dbraw/zinc/80/75/89/749807589.db2.gz CDKYCSTWMVNAKN-UHFFFAOYSA-N 0 0 365.543 2.836 20 10 FFCDRN CSCCCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852262136 749817624 /nfs/dbraw/zinc/81/76/24/749817624.db2.gz ZMHZYDMXBCHAMO-UHFFFAOYSA-N 0 0 365.543 2.980 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](C3CC3)C(F)(F)F)C2)cc1 ZINC000852344910 749840588 /nfs/dbraw/zinc/84/05/88/749840588.db2.gz USFNFUSJVZTPAJ-WFASDCNBSA-N 0 0 357.376 2.914 20 10 FFCDRN Nc1ccc(CC(=O)N2CCC[C@@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000852849696 749965027 /nfs/dbraw/zinc/96/50/27/749965027.db2.gz KFHUXAIWHHPYOX-CYBMUJFWSA-N 0 0 350.344 2.984 20 10 FFCDRN CCOC(=O)c1cnc(N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000853095934 750007260 /nfs/dbraw/zinc/00/72/60/750007260.db2.gz FUMXALDWHNWQGI-UHFFFAOYSA-N 0 0 361.467 2.793 20 10 FFCDRN Cc1cc(CC(=O)OC2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1 ZINC000853128518 750013957 /nfs/dbraw/zinc/01/39/57/750013957.db2.gz WOIFXSLZFDDHSW-UHFFFAOYSA-N 0 0 361.463 2.757 20 10 FFCDRN c1cc(N2CCOCC2)ccc1CNc1nc(C2CCOCC2)ns1 ZINC000853229813 750033560 /nfs/dbraw/zinc/03/35/60/750033560.db2.gz LTCDRHOQYXTJFM-UHFFFAOYSA-N 0 0 360.483 2.881 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2ncnc(F)c2Br)cc1 ZINC000853711447 750141371 /nfs/dbraw/zinc/14/13/71/750141371.db2.gz DCBRAYCNEAGEIZ-UHFFFAOYSA-N 0 0 369.238 2.959 20 10 FFCDRN O=[N+]([O-])c1sccc1NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000853792232 750165679 /nfs/dbraw/zinc/16/56/79/750165679.db2.gz WAPYDGMQYQULPK-UHFFFAOYSA-N 0 0 367.452 2.503 20 10 FFCDRN OC1CCN(c2ccc(CNc3ncncc3Br)cc2)CC1 ZINC000853955385 750209246 /nfs/dbraw/zinc/20/92/46/750209246.db2.gz MQLXIHOUMDJPHW-UHFFFAOYSA-N 0 0 363.259 2.812 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NC/C=C\CO)cc2Cl)C1 ZINC000854039252 750230213 /nfs/dbraw/zinc/23/02/13/750230213.db2.gz KVBCILZSZFLRKT-SFAKSCPVSA-N 0 0 351.878 2.924 20 10 FFCDRN CON(C)CCNC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000854039595 750230865 /nfs/dbraw/zinc/23/08/65/750230865.db2.gz NXARZWSUMGUABT-CQSZACIVSA-N 0 0 368.909 2.869 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000855022882 750411470 /nfs/dbraw/zinc/41/14/70/750411470.db2.gz LOZOGBHEQBPEJW-VXGBXAGGSA-N 0 0 367.751 2.646 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1S(C)(=O)=O ZINC000058734008 845406232 /nfs/dbraw/zinc/40/62/32/845406232.db2.gz LXRHOBKRGQRZJR-UHFFFAOYSA-N 0 0 364.442 2.534 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2c(C)nn(C)c2C)cc1F ZINC000066902823 845485508 /nfs/dbraw/zinc/48/55/08/845485508.db2.gz COEIBHHTDKMBHN-UHFFFAOYSA-N 0 0 368.478 2.501 20 10 FFCDRN COc1cccc(CNC(=O)CCc2nc(-c3cccs3)no2)c1O ZINC000068488979 845523583 /nfs/dbraw/zinc/52/35/83/845523583.db2.gz XNGSZGQURCBOAR-UHFFFAOYSA-N 0 0 359.407 2.761 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\c1cccnc1 ZINC000588392570 845956416 /nfs/dbraw/zinc/95/64/16/845956416.db2.gz AUNMVRODGMVFKS-DAXSKMNVSA-N 0 0 360.797 2.656 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC(c3ccn(C)n3)CC2)c([N+](=O)[O-])c1 ZINC000895649293 970805461 /nfs/dbraw/zinc/80/54/61/970805461.db2.gz LFFOLVQTVSUBFG-GQCTYLIASA-N 0 0 370.409 2.899 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@]2(C)OCCc3ccccc32)ccc1[N+](=O)[O-] ZINC000895640353 970811533 /nfs/dbraw/zinc/81/15/33/970811533.db2.gz STKFGCJYVDQQHF-LJQANCHMSA-N 0 0 358.394 2.887 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC(n3ccnc3)C2)CCCC1 ZINC000651344004 970864954 /nfs/dbraw/zinc/86/49/54/970864954.db2.gz NUBVAWUHRZCIEC-UHFFFAOYSA-N 0 0 364.449 2.809 20 10 FFCDRN CC1CCC2(CC1)OC[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)O2 ZINC000181052705 970884008 /nfs/dbraw/zinc/88/40/08/970884008.db2.gz NFWDCWLPUXOYGI-RVSXGSNBSA-N 0 0 361.486 2.874 20 10 FFCDRN COC(=O)[C@H](C[C@H]1CCCO1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000895862892 971004042 /nfs/dbraw/zinc/00/40/42/971004042.db2.gz ISFGLUOUCZMRJT-ZBFHGGJFSA-N 0 0 374.403 2.972 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2nc(Cc3ccccc3)no2)cc1 ZINC000183796348 971142949 /nfs/dbraw/zinc/14/29/49/971142949.db2.gz YFBBYMPHVQJHSN-UHFFFAOYSA-N 0 0 367.405 2.849 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)C(C)(C)n3cnc(C)c3)CC2)cc1 ZINC000896088135 971218803 /nfs/dbraw/zinc/21/88/03/971218803.db2.gz PFELUMUWNJBASX-UHFFFAOYSA-N 0 0 356.470 2.720 20 10 FFCDRN CC1(CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)OCCO1 ZINC000185130728 971243603 /nfs/dbraw/zinc/24/36/03/971243603.db2.gz ULYDOZLDVCRTNZ-UHFFFAOYSA-N 0 0 360.410 2.850 20 10 FFCDRN Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCc1ccc(O)c(O)c1 ZINC000121180435 971255389 /nfs/dbraw/zinc/25/53/89/971255389.db2.gz KPQPQVILKQECPF-UHFFFAOYSA-N 0 0 351.406 2.873 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N(C)C[C@H](O)C(F)(F)F)cc2)CC1 ZINC000186072223 971337278 /nfs/dbraw/zinc/33/72/78/971337278.db2.gz IRHKOKONTWHYIL-INIZCTEOSA-N 0 0 373.419 2.988 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)nnn3C)cc1F ZINC000066840999 971512289 /nfs/dbraw/zinc/51/22/89/971512289.db2.gz PYOVULYXEWCKLB-UHFFFAOYSA-N 0 0 355.417 2.884 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCc3cccc(OC)c3)CC2)cc1 ZINC000053626187 971781462 /nfs/dbraw/zinc/78/14/62/971781462.db2.gz QOSGBHAJXORZBE-UHFFFAOYSA-N 0 0 354.450 2.985 20 10 FFCDRN COc1cc(N2CCN([C@@H](C)c3ccncc3)CC2)cc(OC)c1OC ZINC000759885407 971893814 /nfs/dbraw/zinc/89/38/14/971893814.db2.gz DCBRPFDGHCRRLQ-HNNXBMFYSA-N 0 0 357.454 2.991 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C2=C(C)N(C)c3ncnn3[C@H]2C)cc1 ZINC000195123659 971925019 /nfs/dbraw/zinc/92/50/19/971925019.db2.gz HKKGRYOERQWJFA-HNNXBMFYSA-N 0 0 368.485 2.726 20 10 FFCDRN CS[C@H](CO)[C@H](C)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888592210 1013134090 /nfs/dbraw/zinc/13/40/90/1013134090.db2.gz USDILWLXLCLYPM-GXTWGEPZSA-N 0 0 371.466 2.630 20 10 FFCDRN Nc1ccc2c(c1Nc1ccc3ncnn3c1)C(=O)c1ccccc1C2=O ZINC001174375935 1013191773 /nfs/dbraw/zinc/19/17/73/1013191773.db2.gz TVGQQLIZTNRKBY-UHFFFAOYSA-N 0 0 355.357 2.831 20 10 FFCDRN Cc1cc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175789839 960353983 /nfs/dbraw/zinc/35/39/83/960353983.db2.gz RYFXMWVDVXHFOW-KRWDZBQOSA-N 0 0 374.506 2.970 20 10 FFCDRN COc1ccc(Cn2cc(N(c3ccc(N)cc3)S(C)(=O)=O)cn2)cc1 ZINC001174437863 1013210494 /nfs/dbraw/zinc/21/04/94/1013210494.db2.gz VLDKYOWBQIDXNS-UHFFFAOYSA-N 0 0 372.450 2.620 20 10 FFCDRN Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1-c1ccc(C)cc1 ZINC000010072677 1013315646 /nfs/dbraw/zinc/31/56/46/1013315646.db2.gz KKQUXYASCQUHAO-UHFFFAOYSA-N 0 0 364.405 2.814 20 10 FFCDRN Cc1cnccc1/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249219 962583850 /nfs/dbraw/zinc/58/38/50/962583850.db2.gz PLWHFVVXXGJEJK-NHHWLVAYSA-N 0 0 352.482 2.888 20 10 FFCDRN COc1ccc(C[NH2+][C@H](C)C(=O)N2CCCC[C@@H]2C)cc1Cn1cccn1 ZINC000873035476 1013357063 /nfs/dbraw/zinc/35/70/63/1013357063.db2.gz KKKDDNNZRUMQAV-DLBZAZTESA-N 0 0 370.497 2.819 20 10 FFCDRN CCOC1CC2(C[C@H]2NC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000873048226 1013363702 /nfs/dbraw/zinc/36/37/02/1013363702.db2.gz SMLFGWGKXCHORO-MMXVYOJRSA-N 0 0 373.497 2.778 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000175853379 963196250 /nfs/dbraw/zinc/19/62/50/963196250.db2.gz NRMHZKCDDQYCDE-UHFFFAOYSA-N 0 0 362.474 2.513 20 10 FFCDRN CCn1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000843553985 963278989 /nfs/dbraw/zinc/27/89/89/963278989.db2.gz FVCIVIIZOWYPAM-ZDUSSCGKSA-N 0 0 364.396 2.903 20 10 FFCDRN Cc1cccc(-c2nnc3n2C[C@@H](C(=O)NCc2ccccc2O)CC3)c1 ZINC000825665042 1013427673 /nfs/dbraw/zinc/42/76/73/1013427673.db2.gz NBTQAIXKAOMCHW-KRWDZBQOSA-N 0 0 362.433 2.838 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000588403499 963566772 /nfs/dbraw/zinc/56/67/72/963566772.db2.gz LHRMSEPLCVDSDW-CLFYSBASSA-N 0 0 366.417 2.532 20 10 FFCDRN CCOCCN1CC[C@]2(CCC[N@H+](Cc3cccc(F)c3[O-])CC2)C1=O ZINC001276087103 1013429768 /nfs/dbraw/zinc/42/97/68/1013429768.db2.gz WWNBQJFPKHUEMM-HXUWFJFHSA-N 0 0 364.461 2.772 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)c3nccnc3C)CC2)cc1F ZINC000873245363 1013445399 /nfs/dbraw/zinc/44/53/99/1013445399.db2.gz NHILBXMSUPDPOO-AWEZNQCLSA-N 0 0 373.432 2.526 20 10 FFCDRN CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3cc(F)c(F)cc3O)C2)C1 ZINC001279108750 964069006 /nfs/dbraw/zinc/06/90/06/964069006.db2.gz WNFGVJDTSAGXQN-HNNXBMFYSA-N 0 0 360.404 2.837 20 10 FFCDRN Cc1ccc(C(=O)N2CCN(C/C=C\c3ccccc3)CC2)c(O)c1O ZINC000255343324 964108305 /nfs/dbraw/zinc/10/83/05/964108305.db2.gz RFEJPKSETIRSAC-YVMONPNESA-N 0 0 352.434 2.877 20 10 FFCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@H]1CC[S@@](=O)C1 ZINC000785064073 964192107 /nfs/dbraw/zinc/19/21/07/964192107.db2.gz HBNSHXKAFLXXMX-YHAMSUFESA-N 0 0 370.434 2.678 20 10 FFCDRN COc1ccc(F)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093843 1013477617 /nfs/dbraw/zinc/47/76/17/1013477617.db2.gz BHDSXFNOVSFZJK-UHFFFAOYSA-N 0 0 372.440 2.973 20 10 FFCDRN O=C(CCc1ccncc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000098093992 1013478114 /nfs/dbraw/zinc/47/81/14/1013478114.db2.gz BKCOUNZRXFRARD-UHFFFAOYSA-N 0 0 353.466 2.539 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnn(C(C)C)c3C)CC2)cc1F ZINC000092498756 965394447 /nfs/dbraw/zinc/39/44/47/965394447.db2.gz MALJIRKHUCAQIP-UHFFFAOYSA-N 0 0 360.433 2.883 20 10 FFCDRN Cc1c(F)cccc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894593840 965507681 /nfs/dbraw/zinc/50/76/81/965507681.db2.gz YBBIQHKQFRBJDR-UHFFFAOYSA-N 0 0 369.440 2.766 20 10 FFCDRN Cc1ccc([C@H](C)C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)o1 ZINC000894597196 965509817 /nfs/dbraw/zinc/50/98/17/965509817.db2.gz HWNHCZRVJLVHOC-HNNXBMFYSA-N 0 0 369.465 2.710 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1cccs1 ZINC000894597871 965510408 /nfs/dbraw/zinc/51/04/08/965510408.db2.gz QJMJFEBWKFFRPO-AWEZNQCLSA-N 0 0 371.506 2.870 20 10 FFCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(F)c1 ZINC000873667834 1013580192 /nfs/dbraw/zinc/58/01/92/1013580192.db2.gz LDFNUYCMAXNKCI-UHFFFAOYSA-N 0 0 371.412 2.689 20 10 FFCDRN COC(=O)c1c(CNc2ccc(CCO)nc2)c2cc(F)ccc2n1C ZINC000894785107 965693721 /nfs/dbraw/zinc/69/37/21/965693721.db2.gz 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967418359 /nfs/dbraw/zinc/41/83/59/967418359.db2.gz FAQHWSRKZWUGJF-INIZCTEOSA-N 0 0 373.497 2.579 20 10 FFCDRN Cc1ncccc1CCNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000892334899 967459992 /nfs/dbraw/zinc/45/99/92/967459992.db2.gz UYSBXTPVFCQDGQ-KRWDZBQOSA-N 0 0 368.481 2.830 20 10 FFCDRN Oc1cc(O)c(CCNc2nc(-c3ccncc3)nc3ccccc32)cc1O ZINC001168005341 967565465 /nfs/dbraw/zinc/56/54/65/967565465.db2.gz BEMFVKWNSQLGKG-UHFFFAOYSA-N 0 0 374.400 2.885 20 10 FFCDRN COC(=O)c1cnc2cc(NCCc3cc(O)c(O)cc3O)ccc2c1 ZINC001168005908 967591203 /nfs/dbraw/zinc/59/12/03/967591203.db2.gz OZMCTVHUGXOPRU-UHFFFAOYSA-N 0 0 354.362 2.793 20 10 FFCDRN COc1ccc(CNc2cc(F)cc(N3CCOCC3)c2)c(O)c1OC ZINC000892359841 967732209 /nfs/dbraw/zinc/73/22/09/967732209.db2.gz WRCLZXJUCAOSGR-UHFFFAOYSA-N 0 0 362.401 2.997 20 10 FFCDRN COc1cc(NC(=O)C(=O)N2Cc3cccc(O)c3C2)ccc1OC(C)C ZINC000874100023 1013758863 /nfs/dbraw/zinc/75/88/63/1013758863.db2.gz HHNXLPZCXYZEDH-UHFFFAOYSA-N 0 0 370.405 2.669 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)cc1F ZINC000843778970 967990217 /nfs/dbraw/zinc/99/02/17/967990217.db2.gz NIZJUVFKPUOEHN-OKILXGFUSA-N 0 0 365.449 2.811 20 10 FFCDRN C[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255597228 968096394 /nfs/dbraw/zinc/09/63/94/968096394.db2.gz PJIACJLMIHMGCM-AWEZNQCLSA-N 0 0 351.410 2.861 20 10 FFCDRN C[C@@H](NC(=O)Cc1n[nH]c2ccccc12)c1ccc(N2CCOCC2)cc1 ZINC000050612997 968149263 /nfs/dbraw/zinc/14/92/63/968149263.db2.gz NACANUZNADIXNV-OAHLLOKOSA-N 0 0 364.449 2.819 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 ZINC000729536655 968669891 /nfs/dbraw/zinc/66/98/91/968669891.db2.gz IITXMUMRAWYSCC-ZUZCIYMTSA-N 0 0 358.369 2.843 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1C[C@@H]2CCC[C@H]12 ZINC000895290845 968987917 /nfs/dbraw/zinc/98/79/17/968987917.db2.gz BYNLDKWDRXFJFV-GRDNDAEWSA-N 0 0 365.424 2.789 20 10 FFCDRN CNC(=O)c1cccc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773611730 1013859500 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/nfs/dbraw/zinc/35/95/52/1014359552.db2.gz UPQPWRXEKPQYQW-NRFANRHFSA-N 0 0 365.477 2.827 20 10 FFCDRN Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)C(=O)NCCc2ccc(N)cc2)o1 ZINC000842236816 976961951 /nfs/dbraw/zinc/96/19/51/976961951.db2.gz REWKGGDRMUFILS-KSSFIOAISA-N 0 0 369.465 2.829 20 10 FFCDRN Nc1cc(F)ccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000876729202 1014366184 /nfs/dbraw/zinc/36/61/84/1014366184.db2.gz HGJZGDKOFBPIEM-UHFFFAOYSA-N 0 0 357.429 2.547 20 10 FFCDRN Cc1cccc(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000178607203 977466705 /nfs/dbraw/zinc/46/67/05/977466705.db2.gz MXYVAJNGCLOQPO-UHFFFAOYSA-N 0 0 374.506 2.682 20 10 FFCDRN Cc1cc(C(=O)CN2CCNC(=O)CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000728917408 977491999 /nfs/dbraw/zinc/49/19/99/977491999.db2.gz CMQMGQKVQYTMFU-UHFFFAOYSA-N 0 0 353.466 2.716 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(N)nc2)cc1 ZINC000876872807 1014407090 /nfs/dbraw/zinc/40/70/90/1014407090.db2.gz NJQBMCDOWQVADW-GOSISDBHSA-N 0 0 354.454 2.551 20 10 FFCDRN COc1ccc(N2CCN(Cc3nnc(-c4ccccc4)n3C)CC2)cc1 ZINC000178768008 977913337 /nfs/dbraw/zinc/91/33/37/977913337.db2.gz ZRAPFMNUVNNLKP-UHFFFAOYSA-N 0 0 363.465 2.813 20 10 FFCDRN CN(C(=O)/C=C\c1cnn(C)c1)c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC000894130888 977935837 /nfs/dbraw/zinc/93/58/37/977935837.db2.gz IKBFSXMYGXTQPQ-SREVYHEPSA-N 0 0 371.441 2.516 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000728949645 978034767 /nfs/dbraw/zinc/03/47/67/978034767.db2.gz AZJRPOHEFFUZND-KGLIPLIRSA-N 0 0 369.421 2.567 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](NC(N)=O)c2cccc(C)c2)c1 ZINC000728978707 978136988 /nfs/dbraw/zinc/13/69/88/978136988.db2.gz UACYOOVCDAKPFG-CXAGYDPISA-N 0 0 371.437 2.686 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c1 ZINC000728978101 978137830 /nfs/dbraw/zinc/13/78/30/978137830.db2.gz MFWXCCCAXBBSNU-KBPBESRZSA-N 0 0 360.454 2.759 20 10 FFCDRN COCCCOc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)cn1 ZINC000728979510 978138003 /nfs/dbraw/zinc/13/80/03/978138003.db2.gz WZYWMNGIRLAABD-CYBMUJFWSA-N 0 0 360.410 2.702 20 10 FFCDRN COc1ccc2c(c1)C[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)CO2 ZINC000728978861 978138166 /nfs/dbraw/zinc/13/81/66/978138166.db2.gz VOADFTOLPMRCRV-GXTWGEPZSA-N 0 0 357.406 2.838 20 10 FFCDRN COCCNC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000728984622 978147086 /nfs/dbraw/zinc/14/70/86/978147086.db2.gz IXTDAJBEBZDZSS-INIZCTEOSA-N 0 0 358.438 2.710 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(Cn3cncn3)c2)c1 ZINC000729035245 978164057 /nfs/dbraw/zinc/16/40/57/978164057.db2.gz ZPLHPLMKWDCFCK-CYBMUJFWSA-N 0 0 367.409 2.923 20 10 FFCDRN CN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(N)cc1 ZINC000877079104 1014470877 /nfs/dbraw/zinc/47/08/77/1014470877.db2.gz QOCFEGSRSVYVPZ-UHFFFAOYSA-N 0 0 373.478 2.720 20 10 FFCDRN C[C@H](NC(=O)N1CCOC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000126378142 1014497346 /nfs/dbraw/zinc/49/73/46/1014497346.db2.gz XRYUANKYCQUODR-INIZCTEOSA-N 0 0 359.470 2.549 20 10 FFCDRN CC[C@H](C)N1CC[C@@]2(CCCN(C(=O)c3ccc(O)c(O)c3)CC2)C1=O ZINC001271857766 979160763 /nfs/dbraw/zinc/16/07/63/979160763.db2.gz VHARWGGAIJLTBA-XOBRGWDASA-N 0 0 360.454 2.741 20 10 FFCDRN Cn1cc([C@@H]2CSCCN2Cc2ccc(N3CCC(O)CC3)cc2)cn1 ZINC000877473479 1014593506 /nfs/dbraw/zinc/59/35/06/1014593506.db2.gz MVZMXGSPQRZXNT-FQEVSTJZSA-N 0 0 372.538 2.671 20 10 FFCDRN CCCC(=O)N1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]2C1 ZINC000986292677 979919176 /nfs/dbraw/zinc/91/91/76/979919176.db2.gz IBCRXKJUIVMUQW-CABCVRRESA-N 0 0 371.441 2.570 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3COC(C)(C)O3)ccc21 ZINC000760177864 980179569 /nfs/dbraw/zinc/17/95/69/980179569.db2.gz UWPJBMYMHRQGRM-MRXNPFEDSA-N 0 0 360.454 2.786 20 10 FFCDRN CCC(=O)N1CCc2ccc(NC(=O)NCCc3ccc(N)cc3)cc21 ZINC000904552868 980298917 /nfs/dbraw/zinc/29/89/17/980298917.db2.gz TVJNIBBHQLFPDP-UHFFFAOYSA-N 0 0 352.438 2.932 20 10 FFCDRN OC[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(F)cc1F ZINC000877640739 1014656706 /nfs/dbraw/zinc/65/67/06/1014656706.db2.gz RNZLYIMFDDKKMD-FQEVSTJZSA-N 0 0 362.420 2.749 20 10 FFCDRN CNC(=O)Nc1cccc(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000906353751 980636819 /nfs/dbraw/zinc/63/68/19/980636819.db2.gz YOYOSYMATWSYOR-UHFFFAOYSA-N 0 0 354.410 2.527 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cccc2[nH]c(CO)nc21 ZINC000906433966 980649401 /nfs/dbraw/zinc/64/94/01/980649401.db2.gz OLQAJTIFEABBHC-UHFFFAOYSA-N 0 0 364.449 2.976 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC(c2ccccn2)=NO1 ZINC000906435500 980650069 /nfs/dbraw/zinc/65/00/69/980650069.db2.gz XKBGBPGCMTZGRB-HXUWFJFHSA-N 0 0 364.449 2.881 20 10 FFCDRN COc1ccccc1C1=N/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)O1 ZINC000008180170 980839343 /nfs/dbraw/zinc/83/93/43/980839343.db2.gz XCMQHJAQJVOBGC-JXAWBTAJSA-N 0 0 364.401 2.876 20 10 FFCDRN C[C@@H]1C(=O)Nc2ccccc2CN1Cc1ccc(N2CCOCC2)cc1 ZINC000877706176 1014693390 /nfs/dbraw/zinc/69/33/90/1014693390.db2.gz HMQRKLBFJIJAQM-MRXNPFEDSA-N 0 0 351.450 2.866 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC(=O)N4CCC[C@@H]43)ccc21 ZINC000888175053 981066309 /nfs/dbraw/zinc/06/63/09/981066309.db2.gz YMXNRBDNKJEVOR-IBGZPJMESA-N 0 0 369.465 2.699 20 10 FFCDRN C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H](C)N1CCOCC1 ZINC000729623643 981190024 /nfs/dbraw/zinc/19/00/24/981190024.db2.gz NOKBKOVNGROJNX-SJORKVTESA-N 0 0 374.529 2.536 20 10 FFCDRN COc1cccc(CNC(=O)CC2CC(NC(=O)OC(C)(C)C)C2)c1O ZINC000907061202 981193003 /nfs/dbraw/zinc/19/30/03/981193003.db2.gz SMSRXWPACBBTSU-UHFFFAOYSA-N 0 0 364.442 2.710 20 10 FFCDRN CC1(C)CC(=O)Nc2ccc(S(=O)(=O)N3Cc4cccc(O)c4C3)cc21 ZINC000907313500 981223720 /nfs/dbraw/zinc/22/37/20/981223720.db2.gz KUGGFKYEEPEBTQ-UHFFFAOYSA-N 0 0 372.446 2.717 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)[C@@H](O)CC ZINC000907762339 981287581 /nfs/dbraw/zinc/28/75/81/981287581.db2.gz AWBUVFXGIDMUMD-KSSFIOAISA-N 0 0 364.486 2.782 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H](C(C)C)N2Cc3ccccc3C2=O)c(O)c1 ZINC000907926841 981327133 /nfs/dbraw/zinc/32/71/33/981327133.db2.gz RSEKWQUGRZPXGH-LJQANCHMSA-N 0 0 368.433 2.698 20 10 FFCDRN C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1C(=O)C=C1CCC1 ZINC000988679994 981532178 /nfs/dbraw/zinc/53/21/78/981532178.db2.gz NEOYFCROSHHHBJ-WBMJQRKESA-N 0 0 369.425 2.679 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(C(=O)NCCc3ccc(N)cc3)cc2)C[C@@H](C)O1 ZINC000237415982 981566022 /nfs/dbraw/zinc/56/60/22/981566022.db2.gz GKLLXZCIRKXLEB-IAGOWNOFSA-N 0 0 367.493 2.851 20 10 FFCDRN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911277772 982186783 /nfs/dbraw/zinc/18/67/83/982186783.db2.gz WYLDVJLHLHOVBW-ZYSHUDEJSA-N 0 0 374.481 2.617 20 10 FFCDRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)NCCc1ccc(N)cc1 ZINC000841957257 982464723 /nfs/dbraw/zinc/46/47/23/982464723.db2.gz QHPYQXKUZHRQOO-QGZVFWFLSA-N 0 0 362.474 2.510 20 10 FFCDRN Cn1cc([C@H]2C[C@H](NC(=O)c3cc4cc(O)c(O)cc4s3)CCO2)cn1 ZINC000897848373 982535551 /nfs/dbraw/zinc/53/55/51/982535551.db2.gz KGOJIKUHSGDPMP-IUODEOHRSA-N 0 0 373.434 2.696 20 10 FFCDRN COCCN(Cc1ccc2oc(=O)n(C)c2c1)c1ccc(OC)c(OC)c1 ZINC000878255375 1014948919 /nfs/dbraw/zinc/94/89/19/1014948919.db2.gz GRDYADIAGSLPQJ-UHFFFAOYSA-N 0 0 372.421 2.802 20 10 FFCDRN Cc1cc(C)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000912709160 984094769 /nfs/dbraw/zinc/09/47/69/984094769.db2.gz BOASDJRZLVDNAA-UHFFFAOYSA-N 0 0 353.466 2.898 20 10 FFCDRN COC(=O)c1cccc(CNC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000151441364 984291086 /nfs/dbraw/zinc/29/10/86/984291086.db2.gz AUFFNOJVEWUHST-UHFFFAOYSA-N 0 0 355.438 2.847 20 10 FFCDRN COc1cc(/C=C/c2nc(-c3ccnc(OC)c3F)no2)cc(O)c1O ZINC001212152183 984403611 /nfs/dbraw/zinc/40/36/11/984403611.db2.gz JBNFWNBTSYCXCP-ONEGZZNKSA-N 0 0 359.313 2.870 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCOc3ccccc3)CC2)cc1 ZINC000056360080 984431318 /nfs/dbraw/zinc/43/13/18/984431318.db2.gz ZIVCHAIBHFRKNL-UHFFFAOYSA-N 0 0 369.465 2.996 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCCOCC(C)C)CC2)cc1 ZINC000056383981 984433754 /nfs/dbraw/zinc/43/37/54/984433754.db2.gz WNJBYUPLBVAESN-UHFFFAOYSA-N 0 0 363.502 2.980 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3cc(C)ccc3C)CC2)cc1 ZINC000056965691 984470837 /nfs/dbraw/zinc/47/08/37/984470837.db2.gz RHYVTWARFBMDGW-UHFFFAOYSA-N 0 0 367.493 2.864 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC[C@@H](C)COc2ccccc2OC)c1 ZINC000764407587 984474255 /nfs/dbraw/zinc/47/42/55/984474255.db2.gz OOMISZZZZLFZCU-CQSZACIVSA-N 0 0 374.437 2.924 20 10 FFCDRN CO/C(=C/c1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000764427226 984486676 /nfs/dbraw/zinc/48/66/76/984486676.db2.gz OTLRXYLHRWOXJB-HMMYKYKNSA-N 0 0 352.434 2.827 20 10 FFCDRN COC[C@]1(C)NC(=O)N(CCc2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000760968711 984602277 /nfs/dbraw/zinc/60/22/77/984602277.db2.gz INEJHMTVNFYEEA-FQEVSTJZSA-N 0 0 355.438 2.594 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccco2)on1 ZINC000058527971 984612570 /nfs/dbraw/zinc/61/25/70/984612570.db2.gz KWBPFJULKJRFKI-UHFFFAOYSA-N 0 0 371.368 2.840 20 10 FFCDRN COc1ccc(N2CCN(Cn3nc4n(c3=S)CCCCC4)CC2)cc1 ZINC000058592202 984620960 /nfs/dbraw/zinc/62/09/60/984620960.db2.gz FZVMANGBKKFPQS-UHFFFAOYSA-N 0 0 373.526 2.929 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCOc2ccccc2[N+](=O)[O-])cc1F ZINC000058733858 984648071 /nfs/dbraw/zinc/64/80/71/984648071.db2.gz XDECRIPJCVKUPQ-UHFFFAOYSA-N 0 0 361.373 2.885 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN1c1ncccn1 ZINC000764899681 984791330 /nfs/dbraw/zinc/79/13/30/984791330.db2.gz RPNBRLGVNYTBOM-GOSISDBHSA-N 0 0 353.470 2.560 20 10 FFCDRN CC[C@@H]1CN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C[C@@H]1O ZINC000761123034 984819928 /nfs/dbraw/zinc/81/99/28/984819928.db2.gz JSSAMWYGWOEWAG-QAPCUYQASA-N 0 0 370.449 2.708 20 10 FFCDRN COc1cccc([C@@H](O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000765209563 984991024 /nfs/dbraw/zinc/99/10/24/984991024.db2.gz IEZCLWDACZTMTF-AZUAARDMSA-N 0 0 371.433 2.642 20 10 FFCDRN COc1cccc([C@H](O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000765209565 984991048 /nfs/dbraw/zinc/99/10/48/984991048.db2.gz IEZCLWDACZTMTF-ICSRJNTNSA-N 0 0 371.433 2.642 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCc3cccc(O)c3)CC2)cc1 ZINC000170685276 985112136 /nfs/dbraw/zinc/11/21/36/985112136.db2.gz GVEKNCWUSOINML-UHFFFAOYSA-N 0 0 355.438 2.869 20 10 FFCDRN CC[C@@H]1Cc2ccccc2CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785433297 985128167 /nfs/dbraw/zinc/12/81/67/985128167.db2.gz MDQPDAFRVHDMJM-LJQANCHMSA-N 0 0 365.477 2.732 20 10 FFCDRN CCN(CCNC(=O)NCc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C ZINC000170791219 985143578 /nfs/dbraw/zinc/14/35/78/985143578.db2.gz CSIIDHJHNVKXIP-UHFFFAOYSA-N 0 0 364.490 2.809 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COC(=O)[C@@H](C)CC(C)C)CC2)cc1 ZINC000765550978 985184239 /nfs/dbraw/zinc/18/42/39/985184239.db2.gz REZYFINOQFHQKJ-INIZCTEOSA-N 0 0 362.470 2.569 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Nc3ccc(C(N)=O)cc3)CC2)cc1 ZINC000171057366 985209997 /nfs/dbraw/zinc/20/99/97/985209997.db2.gz INXUFWABMFXDBL-UHFFFAOYSA-N 0 0 368.437 2.585 20 10 FFCDRN Cc1ccc(C(C)(C)CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000785435445 985214942 /nfs/dbraw/zinc/21/49/42/985214942.db2.gz 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374.441 2.736 20 10 FFCDRN CCOC(=O)N1CCC(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000743717426 999829992 /nfs/dbraw/zinc/82/99/92/999829992.db2.gz MSAQGBSVQYYONU-UHFFFAOYSA-N 0 0 360.454 2.756 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncccc1O ZINC000743735118 999830816 /nfs/dbraw/zinc/83/08/16/999830816.db2.gz DPUGJOWJWHDIBZ-LBPRGKRZSA-N 0 0 363.364 2.787 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](C)CN1CCOCC1 ZINC000745434602 999914059 /nfs/dbraw/zinc/91/40/59/999914059.db2.gz DMFCDCBNRGGRPZ-MRXNPFEDSA-N 0 0 355.482 2.853 20 10 FFCDRN C[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000745691749 999925881 /nfs/dbraw/zinc/92/58/81/999925881.db2.gz NBUIHBRGAGRJFH-SOLBZPMBSA-N 0 0 372.513 2.718 20 10 FFCDRN C[C@H]1CC[C@@H](CCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)O1 ZINC000745708862 999926746 /nfs/dbraw/zinc/92/67/46/999926746.db2.gz MUQKVCPLBPVWME-YJBOKZPZSA-N 0 0 362.470 2.602 20 10 FFCDRN COC(=O)C1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000745809795 999932885 /nfs/dbraw/zinc/93/28/85/999932885.db2.gz VHZKJTHEHIFDPD-UHFFFAOYSA-N 0 0 360.454 2.802 20 10 FFCDRN O=C(NCc1ccccc1O)c1ccn(-c2ccc([N+](=O)[O-])cc2F)n1 ZINC001545682020 999936604 /nfs/dbraw/zinc/93/66/04/999936604.db2.gz NMOFWGPEVAXYFE-UHFFFAOYSA-N 0 0 356.313 2.555 20 10 FFCDRN CCN(CC(=O)NCCc1ccc(OC)c(OC)c1)c1ccc(OC)cc1 ZINC000746109293 999949738 /nfs/dbraw/zinc/94/97/38/999949738.db2.gz OKHWHLMEFRTANG-UHFFFAOYSA-N 0 0 372.465 2.898 20 10 FFCDRN CC(C)[C@]1(C)NC(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C1=O ZINC000766351418 999986866 /nfs/dbraw/zinc/98/68/66/999986866.db2.gz LJMWHHGQVTWUNB-SFHVURJKSA-N 0 0 367.396 2.965 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cnc(C2CC2)nc1 ZINC000103241167 1000054361 /nfs/dbraw/zinc/05/43/61/1000054361.db2.gz HPOUZXMJBMZLOD-UHFFFAOYSA-N 0 0 367.453 2.855 20 10 FFCDRN C=CC(=O)NCCNc1nc(C)c(C)cc1C=C(N=[N+]=[N-])C(=O)OCC ZINC001169803243 1000076366 /nfs/dbraw/zinc/07/63/66/1000076366.db2.gz TYFHOPRFMVDCHA-UVTDQMKNSA-N 0 0 358.402 2.627 20 10 FFCDRN Cc1cc(C(=O)N[C@H](CO)Cc2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC000767135960 1000101026 /nfs/dbraw/zinc/10/10/26/1000101026.db2.gz SGSNZGPZRBAUIJ-SFHVURJKSA-N 0 0 367.424 2.962 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3cccc(C)c3C)CC2)cc1 ZINC000742916483 1000187660 /nfs/dbraw/zinc/18/76/60/1000187660.db2.gz JGQHGDVVNLGSHN-UHFFFAOYSA-N 0 0 367.493 2.864 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2cnnn2Cc2ccccc2)cc1 ZINC000846051705 1000197790 /nfs/dbraw/zinc/19/77/90/1000197790.db2.gz LFKSPKZXVWSMBV-UHFFFAOYSA-N 0 0 365.481 2.903 20 10 FFCDRN COC(=O)[C@H]1CCC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000768231590 1000198849 /nfs/dbraw/zinc/19/88/49/1000198849.db2.gz WOMRSEKOVRKDSQ-INIZCTEOSA-N 0 0 361.442 2.970 20 10 FFCDRN CCN(CC)c1ccc(CN2CCN(c3nccc(OC)n3)CC2)cc1 ZINC000768263416 1000201137 /nfs/dbraw/zinc/20/11/37/1000201137.db2.gz HECBLCMALQVVSQ-UHFFFAOYSA-N 0 0 355.486 2.654 20 10 FFCDRN CCc1ccccc1NC(=O)C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846099073 1000207840 /nfs/dbraw/zinc/20/78/40/1000207840.db2.gz WGUDGRRLRFDPLK-UHFFFAOYSA-N 0 0 369.465 2.791 20 10 FFCDRN COc1cccc(O)c1CN1CCN(C(=O)c2ccc(F)c(F)c2)CC1 ZINC000768334940 1000213475 /nfs/dbraw/zinc/21/34/75/1000213475.db2.gz RXPAYOSHSCAAFA-UHFFFAOYSA-N 0 0 362.376 2.637 20 10 FFCDRN C[C@H](C1CC1)[N@@H+](Cc1ccccc1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846228919 1000237626 /nfs/dbraw/zinc/23/76/26/1000237626.db2.gz SVCOEOMNJALUSC-CYBMUJFWSA-N 0 0 366.421 2.934 20 10 FFCDRN Cc1cccc([C@H]2CCC[N@@H+]2Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)c1 ZINC000846237158 1000240020 /nfs/dbraw/zinc/24/00/20/1000240020.db2.gz BGGYDRGHYARYJU-MRXNPFEDSA-N 0 0 352.394 2.779 20 10 FFCDRN CC(C)Oc1cccc(C[N@H+](C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)c1 ZINC000846254092 1000245277 /nfs/dbraw/zinc/24/52/77/1000245277.db2.gz IGBZGPMDKKEWCL-UHFFFAOYSA-N 0 0 370.409 2.552 20 10 FFCDRN Cc1ccc(C(C)(C)C[N@H+](C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000846251526 1000245517 /nfs/dbraw/zinc/24/55/17/1000245517.db2.gz KIJZVIWWLPZJFW-UHFFFAOYSA-N 0 0 368.437 2.851 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2nnc([C@H]3CCCCO3)n2C)cc1 ZINC000846297055 1000260024 /nfs/dbraw/zinc/26/00/24/1000260024.db2.gz YKFAQCYRCWTRTQ-QGZVFWFLSA-N 0 0 359.474 2.638 20 10 FFCDRN CCn1c([C@@H]2CCO[C@@H]2C)nnc1N(C)CCN(C)c1ccc(OC)cc1 ZINC000846306241 1000263993 /nfs/dbraw/zinc/26/39/93/1000263993.db2.gz VHIUDAFHMFSWNR-CRAIPNDOSA-N 0 0 373.501 2.772 20 10 FFCDRN COC(=O)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)c(C)c1 ZINC000768627760 1000308388 /nfs/dbraw/zinc/30/83/88/1000308388.db2.gz WHBBYLHBKWFVHG-PYJQOMOHSA-N 0 0 359.353 2.589 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2c(C)[nH]nc2C(F)(F)F)cc1 ZINC000846441696 1000313319 /nfs/dbraw/zinc/31/33/19/1000313319.db2.gz CZCLZBGVPBVRQO-UHFFFAOYSA-N 0 0 370.375 2.954 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000846442396 1000314947 /nfs/dbraw/zinc/31/49/47/1000314947.db2.gz PMERUZWLVDMWFM-SANMLTNESA-N 0 0 374.506 2.570 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)c1 ZINC000768911704 1000384574 /nfs/dbraw/zinc/38/45/74/1000384574.db2.gz SFHXHFYXFIJXBZ-YUNKPMOVSA-N 0 0 355.390 2.750 20 10 FFCDRN C[C@@H](NC(=O)c1scc2c1OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000846835567 1000454226 /nfs/dbraw/zinc/45/42/26/1000454226.db2.gz LVIOYRRFTKRDFI-CYBMUJFWSA-N 0 0 374.462 2.847 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@](C)(NC(C)=O)C(C)C)cc1F ZINC001144977608 1000487605 /nfs/dbraw/zinc/48/76/05/1000487605.db2.gz JNWUFWMUIDGSIM-LJQANCHMSA-N 0 0 351.466 2.839 20 10 FFCDRN COc1ccc(CNC(=O)c2c(C(F)(F)F)nc3n2CCCC3)c(O)c1 ZINC000846951584 1000495872 /nfs/dbraw/zinc/49/58/72/1000495872.db2.gz YEVSDJPQYZWXEQ-UHFFFAOYSA-N 0 0 369.343 2.882 20 10 FFCDRN CCN(CC)c1ccc(CN2CCc3nn(CC)c(=O)cc3C2)cc1F ZINC000769512800 1000538884 /nfs/dbraw/zinc/53/88/84/1000538884.db2.gz QUUCROBXGZOXON-UHFFFAOYSA-N 0 0 358.461 2.807 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1 ZINC000769540237 1000544740 /nfs/dbraw/zinc/54/47/40/1000544740.db2.gz GXNZZUWLLZZJEU-OAHLLOKOSA-N 0 0 366.458 2.956 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H]1C(=O)Nc2ccc(F)cc21 ZINC001146195853 1000637878 /nfs/dbraw/zinc/63/78/78/1000637878.db2.gz DXIRGCJBKOBSOK-QGZVFWFLSA-N 0 0 355.413 2.942 20 10 FFCDRN C[C@H](C(=O)NCc1cc(Cl)ccc1O)n1nnc(-c2ccccc2)n1 ZINC001146231003 1000645780 /nfs/dbraw/zinc/64/57/80/1000645780.db2.gz BJSCKDDZKQKTCI-LLVKDONJSA-N 0 0 357.801 2.577 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@@]3(C)C(C)C)CC2)cc1 ZINC000772973327 1000688338 /nfs/dbraw/zinc/68/83/38/1000688338.db2.gz VQQUXJPTYSHZRP-FPOVZHCZSA-N 0 0 359.514 2.616 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nccc(N2CCOCC2)n1 ZINC000770445571 1000791422 /nfs/dbraw/zinc/79/14/22/1000791422.db2.gz BCETYIRFEUAIML-UHFFFAOYSA-N 0 0 367.497 2.940 20 10 FFCDRN CCO[C@H](C)c1noc(CN(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000771223003 1001055446 /nfs/dbraw/zinc/05/54/46/1001055446.db2.gz AVQQSSRSBVCRMM-SNVBAGLBSA-N 0 0 366.374 2.729 20 10 FFCDRN CCO[C@@H](C)c1noc(CN(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])n1 ZINC000771223000 1001055503 /nfs/dbraw/zinc/05/55/03/1001055503.db2.gz AVQQSSRSBVCRMM-JTQLQIEISA-N 0 0 366.374 2.729 20 10 FFCDRN CC(C)(C)OC(=O)c1ccccc1C(=O)NCCc1cc(O)c(O)cc1O ZINC001148385121 1001137151 /nfs/dbraw/zinc/13/71/51/1001137151.db2.gz HBGJWPKMPDCDMK-UHFFFAOYSA-N 0 0 373.405 2.731 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1nnnn1CC1CC1 ZINC000771556185 1001148313 /nfs/dbraw/zinc/14/83/13/1001148313.db2.gz IAVGIZKQKCKGEG-UHFFFAOYSA-N 0 0 364.453 2.729 20 10 FFCDRN CCOC(=O)c1c(NC(=O)c2cc(O)c(O)c(O)c2)sc2c1CCC2 ZINC001148579976 1001174109 /nfs/dbraw/zinc/17/41/09/1001174109.db2.gz DBWWQOSEVLOJBD-UHFFFAOYSA-N 0 0 363.391 2.783 20 10 FFCDRN CC[NH+]1CCN(c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])c2)CC1 ZINC000771635733 1001175177 /nfs/dbraw/zinc/17/51/77/1001175177.db2.gz FZIQGFAJALTPHU-UHFFFAOYSA-N 0 0 370.409 2.695 20 10 FFCDRN CN(C)c1ccc(C=Cc2nc3c(cnn3-c3ncccn3)c(=O)[nH]2)cc1 ZINC000746519399 1001249377 /nfs/dbraw/zinc/24/93/77/1001249377.db2.gz CRJCYMOODBNWBN-RMKNXTFCSA-N 0 0 359.393 2.548 20 10 FFCDRN CC[C@@H]1CC[C@@H](C)N1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000772449711 1001398423 /nfs/dbraw/zinc/39/84/23/1001398423.db2.gz UUKCSXQDLGQHFK-KBAYOESNSA-N 0 0 372.513 2.861 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000772498952 1001398904 /nfs/dbraw/zinc/39/89/04/1001398904.db2.gz XNOVPCVGGVWUJD-KRWDZBQOSA-N 0 0 372.513 2.794 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)c1 ZINC000772461563 1001402050 /nfs/dbraw/zinc/40/20/50/1001402050.db2.gz DDUMKWMAMYZHIO-GXTWGEPZSA-N 0 0 369.421 2.887 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](O)c3cccnc3)ccc21 ZINC000772508941 1001412179 /nfs/dbraw/zinc/41/21/79/1001412179.db2.gz QGDLGBGXBIJJCS-HXUWFJFHSA-N 0 0 367.449 2.763 20 10 FFCDRN Cc1cc(NC(=O)NCCc2ccc(O)c(O)c2)nn1-c1ccccc1 ZINC000772574122 1001422381 /nfs/dbraw/zinc/42/23/81/1001422381.db2.gz BWOUSALIBIQQEI-UHFFFAOYSA-N 0 0 352.394 2.956 20 10 FFCDRN Cc1cc(C(=O)CN(C[C@H](C)O)[C@@H](C)CO)c(C)n1-c1ccc(C)cc1 ZINC000785537179 1001451003 /nfs/dbraw/zinc/45/10/03/1001451003.db2.gz NIEKMQJGMRROIW-IRXDYDNUSA-N 0 0 358.482 2.649 20 10 FFCDRN NC(=O)N1CCc2ccc(NCc3ccc(N4CCOCC4)cc3)cc21 ZINC000785570977 1001458912 /nfs/dbraw/zinc/45/89/12/1001458912.db2.gz DIQYRXKDJHNJHS-UHFFFAOYSA-N 0 0 352.438 2.577 20 10 FFCDRN CCOC(=O)NCC(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000785673927 1001465892 /nfs/dbraw/zinc/46/58/92/1001465892.db2.gz HLNNPNSYCCQNRU-UHFFFAOYSA-N 0 0 358.394 2.566 20 10 FFCDRN CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)C3COC3)c2C)cc1 ZINC000785778915 1001483392 /nfs/dbraw/zinc/48/33/92/1001483392.db2.gz YXTZLWQJYPKNSS-UHFFFAOYSA-N 0 0 357.406 2.865 20 10 FFCDRN CC(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3cc(F)c(F)cc3[O-])C2)C1=O ZINC001276191716 1016502249 /nfs/dbraw/zinc/50/22/49/1016502249.db2.gz RATBNTMVCIHBLU-IBGZPJMESA-N 0 0 366.408 2.668 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@]1(O)CCc2ccccc2C1 ZINC000786409658 1001586908 /nfs/dbraw/zinc/58/69/08/1001586908.db2.gz PPBMMXZONZJLCT-QFIPXVFZSA-N 0 0 351.446 2.807 20 10 FFCDRN COc1cccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000786757677 1001622937 /nfs/dbraw/zinc/62/29/37/1001622937.db2.gz DJMABQZSAWOAKI-OAHLLOKOSA-N 0 0 369.465 2.563 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COc3cc(F)ccc3C)CC2)cc1 ZINC000786759908 1001623339 /nfs/dbraw/zinc/62/33/39/1001623339.db2.gz CKIBDROGWYGNGB-UHFFFAOYSA-N 0 0 358.413 2.870 20 10 FFCDRN COc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000786764182 1001623881 /nfs/dbraw/zinc/62/38/81/1001623881.db2.gz YRXBIBMPPSJOLJ-HNNXBMFYSA-N 0 0 369.465 2.563 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1ccc([C@@H]2C[C@H]2C)o1 ZINC000787328159 1001686074 /nfs/dbraw/zinc/68/60/74/1001686074.db2.gz OWXNNPVPGYIXER-RDTXWAMCSA-N 0 0 369.465 2.710 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C2(OCc3ccccc3)CCOCC2)c1 ZINC000772716216 1001767017 /nfs/dbraw/zinc/76/70/17/1001767017.db2.gz GYQDQUCKUFVADC-UHFFFAOYSA-N 0 0 371.433 2.783 20 10 FFCDRN Cc1cc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)no1 ZINC000788248963 1001778064 /nfs/dbraw/zinc/77/80/64/1001778064.db2.gz XQPSVAGNCVTXSZ-UHFFFAOYSA-N 0 0 371.437 2.666 20 10 FFCDRN COC(=O)c1cc(NC(=O)NCCc2ccc(O)c(O)c2)c(C)cc1C ZINC000788315576 1001790151 /nfs/dbraw/zinc/79/01/51/1001790151.db2.gz MOTQDLQPZHJKJT-UHFFFAOYSA-N 0 0 358.394 2.865 20 10 FFCDRN COC[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000746759090 1001851317 /nfs/dbraw/zinc/85/13/17/1001851317.db2.gz ZRSTVHMDNXLMCF-CRAIPNDOSA-N 0 0 373.453 2.864 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1COC2(CCCC2)O1 ZINC000774314309 1001854251 /nfs/dbraw/zinc/85/42/51/1001854251.db2.gz KSQMDSQWBVFSLT-SFHVURJKSA-N 0 0 361.486 2.970 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccccc2)cc1 ZINC000774323439 1001862321 /nfs/dbraw/zinc/86/23/21/1001862321.db2.gz MYUDAADAGZCIRK-UHFFFAOYSA-N 0 0 353.466 2.808 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)c1ccccc1 ZINC000774359769 1001872167 /nfs/dbraw/zinc/87/21/67/1001872167.db2.gz JOWNYLYAQOORNT-INIZCTEOSA-N 0 0 353.466 2.897 20 10 FFCDRN 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364.442 2.545 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H]1OCc2ccccc21 ZINC000848231499 1059432754 /nfs/dbraw/zinc/43/27/54/1059432754.db2.gz DBRXKYCUKMQQOE-IBGZPJMESA-N 0 0 369.417 2.946 20 10 FFCDRN C[C@H]1Cc2cc(NC(=O)C(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2O1 ZINC001515361174 1059612378 /nfs/dbraw/zinc/61/23/78/1059612378.db2.gz DFKRMPNYDWQAKC-AWEZNQCLSA-N 0 0 367.449 2.673 20 10 FFCDRN CCOC(=O)Cn1ccc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000848345975 1059821508 /nfs/dbraw/zinc/82/15/08/1059821508.db2.gz ANJAOTLTNDKGRA-UHFFFAOYSA-N 0 0 367.409 2.501 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)C[C@@H]3CCCO3)c2C)cc1 ZINC001455840509 1059931063 /nfs/dbraw/zinc/93/10/63/1059931063.db2.gz ALXWWWQPBWBEBF-APWZRJJASA-N 0 0 372.465 2.763 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC(N2CCCC2=O)C1 ZINC001456298206 1060082877 /nfs/dbraw/zinc/08/28/77/1060082877.db2.gz IZZGZAOUINWBHK-UHFFFAOYSA-N 0 0 351.450 2.849 20 10 FFCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N1CC[C@@H](CF)C1 ZINC001516566138 1060147357 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CCN1C[C@H](COC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)OC1=O ZINC000848714205 1060531236 /nfs/dbraw/zinc/53/12/36/1060531236.db2.gz JQVIGRIJNIGKBI-MRXNPFEDSA-N 0 0 374.437 2.902 20 10 FFCDRN CCOC(=O)CCc1cc(N[C@@H](C)Cc2ccc(O)c(O)c2)nc(C)n1 ZINC001458311748 1060562873 /nfs/dbraw/zinc/56/28/73/1060562873.db2.gz WWALCSHORTUHIU-LBPRGKRZSA-N 0 0 359.426 2.735 20 10 FFCDRN CCCC[C@](C)(F)C(=O)OCc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000849845195 1060861034 /nfs/dbraw/zinc/86/10/34/1060861034.db2.gz AYZWBFZJZJBSLB-KRWDZBQOSA-N 0 0 367.377 2.573 20 10 FFCDRN CCOc1ccc(N2CCN(S(=O)(=O)CCCC3CC3)CC2)cc1 ZINC001475158556 1060974416 /nfs/dbraw/zinc/97/44/16/1060974416.db2.gz JSRKJADZSPAXPE-UHFFFAOYSA-N 0 0 352.500 2.727 20 10 FFCDRN CCOc1ccc(N(Cc2nnnn2CC2CCOCC2)CC2CC2)cc1 ZINC001460625843 1061039501 /nfs/dbraw/zinc/03/95/01/1061039501.db2.gz FNSDCQARESTLMG-UHFFFAOYSA-N 0 0 371.485 2.915 20 10 FFCDRN Cc1ccc(O)c(CNS(=O)(=O)c2cc3c(cc2Cl)CCC3=O)c1 ZINC001475511530 1061120703 /nfs/dbraw/zinc/12/07/03/1061120703.db2.gz ZFMVWEULUUXFGJ-UHFFFAOYSA-N 0 0 365.838 2.961 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CC=NO2)n1C[C@@H]1CCCCO1 ZINC001526460942 1061136497 /nfs/dbraw/zinc/13/64/97/1061136497.db2.gz RQSVMJDKRASRJW-RDJZCZTQSA-N 0 0 371.441 2.636 20 10 FFCDRN COC(=O)c1cc(C)c(C)c(S(=O)(=O)N2Cc3cccc(O)c3C2)c1 ZINC001475608589 1061162945 /nfs/dbraw/zinc/16/29/45/1061162945.db2.gz UIGYHUFRXXIVJW-UHFFFAOYSA-N 0 0 361.419 2.500 20 10 FFCDRN Cc1cc(CC(=O)N2CC[C@@H](OC(=O)N(C)C)C2)c(C)n1-c1ccccc1 ZINC001526614197 1061185081 /nfs/dbraw/zinc/18/50/81/1061185081.db2.gz YOHAOWPCEMTXNX-LJQANCHMSA-N 0 0 369.465 2.936 20 10 FFCDRN COc1ccc(CNCc2nncn2-c2ccccc2)cc1Cn1cccn1 ZINC001461039692 1061193748 /nfs/dbraw/zinc/19/37/48/1061193748.db2.gz LJRFXTUGRAXQLT-UHFFFAOYSA-N 0 0 374.448 2.811 20 10 FFCDRN Cc1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1-n1cnnn1 ZINC001475900711 1061307959 /nfs/dbraw/zinc/30/79/59/1061307959.db2.gz ABQJXUUYXYLYFT-UHFFFAOYSA-N 0 0 358.789 2.651 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1CCCC(F)(F)[C@H]1O ZINC001461570382 1061353927 /nfs/dbraw/zinc/35/39/27/1061353927.db2.gz FEKTXFCFVAVWTE-PWSUYJOCSA-N 0 0 354.166 2.932 20 10 FFCDRN CCCNS(=O)(=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC001461737592 1061394106 /nfs/dbraw/zinc/39/41/06/1061394106.db2.gz NMLMVPJYMPHHPM-UHFFFAOYSA-N 0 0 356.394 2.971 20 10 FFCDRN COc1cc(C)c(CN2CCN(C(=O)Cc3ccccc3C)CC2)c(O)c1 ZINC001461840217 1061424146 /nfs/dbraw/zinc/42/41/46/1061424146.db2.gz CMOHKGLLEMZFOZ-UHFFFAOYSA-N 0 0 368.477 2.905 20 10 FFCDRN CN(Cc1sc(N2CCOCC2)nc1Cl)c1ccc2c(c1)OCO2 ZINC001462077383 1061497070 /nfs/dbraw/zinc/49/70/70/1061497070.db2.gz XEKIQOVXBCQVAI-UHFFFAOYSA-N 0 0 367.858 2.998 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1nnc2n1CCCCC2 ZINC001527473999 1061509568 /nfs/dbraw/zinc/50/95/68/1061509568.db2.gz KJGJMWXFCYVZMO-UHFFFAOYSA-N 0 0 370.501 2.721 20 10 FFCDRN COc1c(O)c(CNc2ccc([C@@H](C)CC(N)=O)cc2)ccc1[N+](=O)[O-] ZINC001462602408 1061686768 /nfs/dbraw/zinc/68/67/68/1061686768.db2.gz HOHPMWKUVPXYTG-NSHDSACASA-N 0 0 359.382 2.900 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)C2(COC)CCC2)cc1F ZINC001463070325 1061923921 /nfs/dbraw/zinc/92/39/21/1061923921.db2.gz VKKCJIWKVMXNCX-UHFFFAOYSA-N 0 0 358.479 2.660 20 10 FFCDRN Cc1cc([N+](=O)[O-])c(Cl)cc1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC001464326332 1062545974 /nfs/dbraw/zinc/54/59/74/1062545974.db2.gz ITRVAOLZSXZEHM-UHFFFAOYSA-N 0 0 368.798 2.967 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCS[C@H](C(C)C)C1 ZINC001523653888 1062565536 /nfs/dbraw/zinc/56/55/36/1062565536.db2.gz VWZZSWGZLXTVAT-ZDUSSCGKSA-N 0 0 368.528 2.936 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[C@H]1CC[C@H](C)O1 ZINC001546151946 1062978678 /nfs/dbraw/zinc/97/86/78/1062978678.db2.gz MPNKPLOUBOWYNL-SWLSCSKDSA-N 0 0 369.845 2.895 20 10 FFCDRN COC(=O)c1cnc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC001438294893 1062981284 /nfs/dbraw/zinc/98/12/84/1062981284.db2.gz CIGJNWKXAVWSIU-UHFFFAOYSA-N 0 0 364.405 2.601 20 10 FFCDRN Cc1cc(CNC(=O)Cn2c(C)ncc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC001438307332 1062981539 /nfs/dbraw/zinc/98/15/39/1062981539.db2.gz YVDHCNFBVFCQOP-UHFFFAOYSA-N 0 0 367.409 2.824 20 10 FFCDRN COC(=O)CC(C)(C)NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001532270577 1063017495 /nfs/dbraw/zinc/01/74/95/1063017495.db2.gz HRTVCFGCRRCGSI-UHFFFAOYSA-N 0 0 372.465 2.987 20 10 FFCDRN COC(=O)CCCc1nnc(NC(=O)N[C@H](C)c2ccccc2O)s1 ZINC001465731571 1063196556 /nfs/dbraw/zinc/19/65/56/1063196556.db2.gz MTJBENRGOHPIJB-SNVBAGLBSA-N 0 0 364.427 2.622 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1ccc(Cl)cc1Cl ZINC001465856124 1063236985 /nfs/dbraw/zinc/23/69/85/1063236985.db2.gz KRYLGVAERZTMEI-OAHLLOKOSA-N 0 0 356.205 2.797 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ncccc1-c1ccccn1 ZINC001442231214 1063511154 /nfs/dbraw/zinc/51/11/54/1063511154.db2.gz GORRVTJQYSXJPJ-UHFFFAOYSA-N 0 0 374.444 2.910 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(F)ccc1Br ZINC001466790090 1063558507 /nfs/dbraw/zinc/55/85/07/1063558507.db2.gz BPAPHIBGBCBUSQ-QMMMGPOBSA-N 0 0 369.190 2.755 20 10 FFCDRN CC1=CC(C(=O)Nc2n[nH]c(-c3ccncc3)n2)=S=C1c1ccccc1 ZINC001442719652 1063558696 /nfs/dbraw/zinc/55/86/96/1063558696.db2.gz GPDOJTLGHLUGTF-UHFFFAOYSA-N 0 0 361.430 2.891 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCN(c2ccccc2)C1=O ZINC001468619710 1064013500 /nfs/dbraw/zinc/01/35/00/1064013500.db2.gz QLHSYWMQIVZJIU-HNNXBMFYSA-N 0 0 359.813 2.650 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)cc2)CC1 ZINC001468679287 1064021918 /nfs/dbraw/zinc/02/19/18/1064021918.db2.gz NBMHTAHUFRJFJQ-DFQSSKMNSA-N 0 0 357.498 2.978 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001468744086 1064030625 /nfs/dbraw/zinc/03/06/25/1064030625.db2.gz PGBOUHNUFABHFS-KRWDZBQOSA-N 0 0 367.449 2.894 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(c2ccc3cccnc3n2)CC1 ZINC001469656370 1064187458 /nfs/dbraw/zinc/18/74/58/1064187458.db2.gz ZGPCJYGFNXJXPV-UHFFFAOYSA-N 0 0 363.417 2.990 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCCN(CC(F)F)C2)cc1 ZINC001469806481 1064214175 /nfs/dbraw/zinc/21/41/75/1064214175.db2.gz RQEMDQJWBBUZHH-HNNXBMFYSA-N 0 0 369.456 2.567 20 10 FFCDRN C[C@@](CO)(NC(=O)Cc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC001470276726 1064292098 /nfs/dbraw/zinc/29/20/98/1064292098.db2.gz XEALYMHDWYJXBO-KRWDZBQOSA-N 0 0 369.339 2.683 20 10 FFCDRN CN(C[C@H]1CCCCN1C(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C ZINC001471587189 1064724217 /nfs/dbraw/zinc/72/42/17/1064724217.db2.gz NHIIUMDWLUBMAN-CYBMUJFWSA-N 0 0 364.442 2.959 20 10 FFCDRN COc1ccccc1-n1ncc(C(=O)NCc2cc(O)ccc2O)c1C ZINC001471661525 1064748693 /nfs/dbraw/zinc/74/86/93/1064748693.db2.gz RJZDQRRNJMJTGX-UHFFFAOYSA-N 0 0 353.378 2.531 20 10 FFCDRN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1cc(O)ccc1O ZINC001471661063 1064749514 /nfs/dbraw/zinc/74/95/14/1064749514.db2.gz GPWJHFVCIMDUGG-CQSZACIVSA-N 0 0 350.415 2.504 20 10 FFCDRN CC(C)(C)OC(=O)NC1(C(=O)NCc2cc(O)ccc2O)CCCCC1 ZINC001471661161 1064750094 /nfs/dbraw/zinc/75/00/94/1064750094.db2.gz ITZIWEUTIJAVCB-UHFFFAOYSA-N 0 0 364.442 2.942 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001473344159 1065244172 /nfs/dbraw/zinc/24/41/72/1065244172.db2.gz IALZYBYZTUDAHU-SFHVURJKSA-N 0 0 355.413 2.896 20 10 FFCDRN C[C@](O)(C(=O)NCCc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC001576252516 1078210373 /nfs/dbraw/zinc/21/03/73/1078210373.db2.gz SDLDGUSXSDXGPE-QGZVFWFLSA-N 0 0 352.356 2.854 20 10 FFCDRN COC(=O)c1c(CN2CCO[C@H](C(F)(F)F)C2)c2cc(F)ccc2n1C ZINC001474338195 1065498018 /nfs/dbraw/zinc/49/80/18/1065498018.db2.gz LELTVBZGROFAIQ-AWEZNQCLSA-N 0 0 374.334 2.867 20 10 FFCDRN O=C(N[C@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474510529 1065540476 /nfs/dbraw/zinc/54/04/76/1065540476.db2.gz KPXQGPYAZZUERB-UONOGXRCSA-N 0 0 370.396 2.540 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)C[C@H]1CCCC2(CCC2)O1 ZINC001474956942 1065655720 /nfs/dbraw/zinc/65/57/20/1065655720.db2.gz RGCZKQFOFBBMCC-GOSISDBHSA-N 0 0 366.527 2.972 20 10 FFCDRN Cc1c(C(=O)Nc2ccc(N)cc2)nnn1CCOc1ccc(F)cc1 ZINC001579528528 1078639731 /nfs/dbraw/zinc/63/97/31/1078639731.db2.gz NOEXMRCFUFYTGM-UHFFFAOYSA-N 0 0 355.373 2.639 20 10 FFCDRN Cc1nnc(SCC(=O)Oc2ccc(N)cc2)n1Cc1ccccc1 ZINC001579914507 1078714651 /nfs/dbraw/zinc/71/46/51/1078714651.db2.gz NCZJKFSBRUTBAP-UHFFFAOYSA-N 0 0 354.435 2.915 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC(N3CCOCC3)C2)c1 ZINC001583259334 1079185319 /nfs/dbraw/zinc/18/53/19/1079185319.db2.gz VZSPHZWFHVCWPW-UHFFFAOYSA-N 0 0 373.884 2.904 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCn2sc3ccccc3c2=O)cc1F ZINC001583753236 1079259400 /nfs/dbraw/zinc/25/94/00/1079259400.db2.gz UFFWBTFFTCRSQS-UHFFFAOYSA-N 0 0 373.453 2.975 20 10 FFCDRN Cc1cc(NC(=O)C2=S=C(S(C)(=O)=O)C=C2)ccc1-c1ccncc1 ZINC001583979885 1079291561 /nfs/dbraw/zinc/29/15/61/1079291561.db2.gz HOEHINZKAJOBSA-UHFFFAOYSA-N 0 0 372.471 2.645 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C[C@H]1CCCOC1 ZINC001554175788 1075609105 /nfs/dbraw/zinc/60/91/05/1075609105.db2.gz WTTGPHBZSYLZDQ-WBVHZDCISA-N 0 0 372.469 2.551 20 10 FFCDRN C[C@](O)(CNC(=O)C1=CC(=O)CS1)c1ccccc1Br ZINC001556373834 1075733732 /nfs/dbraw/zinc/73/37/32/1075733732.db2.gz PMQWENBASXDAEN-AWEZNQCLSA-N 0 0 356.241 2.854 20 10 FFCDRN C[C@@](CO)(NC(=O)Cc1ccc(O)c(O)c1)c1cc(Cl)cc(Cl)c1 ZINC001556609782 1075758149 /nfs/dbraw/zinc/75/81/49/1075758149.db2.gz GUCUGAAXLAFDLJ-KRWDZBQOSA-N 0 0 370.232 2.971 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(Cl)cc1N ZINC001557113204 1075809984 /nfs/dbraw/zinc/80/99/84/1075809984.db2.gz BSZOEFSEJCLJFH-UHFFFAOYSA-N 0 0 362.813 2.833 20 10 FFCDRN C[C@@](CO)(Cc1ccc(F)cc1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001557753533 1075884153 /nfs/dbraw/zinc/88/41/53/1075884153.db2.gz DPGHRBGMBPSDKL-SFHVURJKSA-N 0 0 358.373 2.712 20 10 FFCDRN O=C(c1ccccc1S(=O)(=O)C(F)F)N1Cc2cccc(O)c2C1 ZINC001558035670 1075932678 /nfs/dbraw/zinc/93/26/78/1075932678.db2.gz LRDLRQALFYURIK-UHFFFAOYSA-N 0 0 353.346 2.545 20 10 FFCDRN CC(C)[C@H](C(=O)NCc1cccc(O)c1O)[C@@H](C)NC(=O)OC(C)(C)C ZINC001558161480 1075952916 /nfs/dbraw/zinc/95/29/16/1075952916.db2.gz NXAMKJQDHAMIDT-DOMZBBRYSA-N 0 0 366.458 2.899 20 10 FFCDRN COc1ccc(C)cc1-n1ccc(C(=O)NCc2cc(O)ccc2O)n1 ZINC001558175006 1075956603 /nfs/dbraw/zinc/95/66/03/1075956603.db2.gz XJNNBGKAVYUBPA-UHFFFAOYSA-N 0 0 353.378 2.531 20 10 FFCDRN O=C(NCCc1ccc2c(c1)OC(F)(F)O2)c1c(F)ccc(O)c1O ZINC001559007337 1076114289 /nfs/dbraw/zinc/11/42/89/1076114289.db2.gz XLTDGNXMVTZTQI-UHFFFAOYSA-N 0 0 355.268 2.531 20 10 FFCDRN CCOC(=O)COCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001559192941 1076133584 /nfs/dbraw/zinc/13/35/84/1076133584.db2.gz NUPQSGCZOCVUJF-UHFFFAOYSA-N 0 0 372.377 2.817 20 10 FFCDRN Cc1cc(O)c(CN2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)c(Cl)c1 ZINC001560951662 1076312465 /nfs/dbraw/zinc/31/24/65/1076312465.db2.gz OWBQESKIVFXQMR-LSDHHAIUSA-N 0 0 359.857 2.704 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cn(C)nc2C2CCCC2)cc1 ZINC001561086002 1076330298 /nfs/dbraw/zinc/33/02/98/1076330298.db2.gz RHBSOGDJYACQDA-UHFFFAOYSA-N 0 0 362.499 2.622 20 10 FFCDRN Cc1cc(CNS(=O)(=O)c2ccc(C)nn2)c(C)n1-c1ccccc1 ZINC001561819770 1076428285 /nfs/dbraw/zinc/42/82/85/1076428285.db2.gz IZHJZTFYVGWMJB-UHFFFAOYSA-N 0 0 356.451 2.671 20 10 FFCDRN C[C@@H](NS(=O)(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC001561837863 1076431757 /nfs/dbraw/zinc/43/17/57/1076431757.db2.gz FAEYWSWTBPANOG-UHIISALHSA-N 0 0 367.389 2.873 20 10 FFCDRN CS(C)(=O)=NC(=O)c1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001563241767 1076533076 /nfs/dbraw/zinc/53/30/76/1076533076.db2.gz HZSMAKIARFBUEA-UHFFFAOYSA-N 0 0 373.434 2.808 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](CCO)C(F)(F)F)cc1F ZINC001563998501 1076598211 /nfs/dbraw/zinc/59/82/11/1076598211.db2.gz FLIKJMHUZMJJMG-CQSZACIVSA-N 0 0 365.371 2.784 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@@H](CO)Cc1ccoc1 ZINC001564946867 1076672314 /nfs/dbraw/zinc/67/23/14/1076672314.db2.gz XJLBEQDESLDKBO-WMZOPIPTSA-N 0 0 373.497 2.735 20 10 FFCDRN CCOC(=O)C[C@@H](CNC(=O)NCc1c(O)cccc1F)CC(C)C ZINC001565030074 1076679447 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C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589953352 1080899827 /nfs/dbraw/zinc/89/98/27/1080899827.db2.gz FNPXASHEQRHILA-CHWSQXEVSA-N 0 0 368.416 2.641 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589958462 1080903451 /nfs/dbraw/zinc/90/34/51/1080903451.db2.gz YTVCBVQILMKTKL-OCCSQVGLSA-N 0 0 368.416 2.641 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589962156 1080905738 /nfs/dbraw/zinc/90/57/38/1080905738.db2.gz HCLBWWGDNUVMRP-CWSCBRNRSA-N 0 0 371.363 2.723 20 10 FFCDRN C[C@H]([NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589963336 1080906747 /nfs/dbraw/zinc/90/67/47/1080906747.db2.gz WHKQUMLNWXHJRX-OPQQBVKSSA-N 0 0 371.363 2.723 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc(CC(N)=O)cs2)cc1 ZINC000010377531 207298747 /nfs/dbraw/zinc/29/87/47/207298747.db2.gz VIUAIUOBTWXNBP-UHFFFAOYSA-N 0 0 354.435 2.831 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nnc2ccccn21 ZINC000045589458 208335614 /nfs/dbraw/zinc/33/56/14/208335614.db2.gz RSMXBXMRVSCSFO-AWEZNQCLSA-N 0 0 352.442 2.698 20 10 FFCDRN CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000068786729 208749201 /nfs/dbraw/zinc/74/92/01/208749201.db2.gz UGXPZWNQDMLDIC-SFHVURJKSA-N 0 0 360.479 2.743 20 10 FFCDRN CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC000097653821 132230591 /nfs/dbraw/zinc/23/05/91/132230591.db2.gz VWRMJOXHLWWIGE-QZTJIDSGSA-N 0 0 359.514 2.997 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC[C@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000366738673 512165465 /nfs/dbraw/zinc/16/54/65/512165465.db2.gz MAPPPDTXCNMKKJ-YVZNUBBCSA-N 0 0 356.382 2.508 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000053752835 506439321 /nfs/dbraw/zinc/43/93/21/506439321.db2.gz QGMHPCJOQOJXKE-UHFFFAOYSA-N 0 0 368.481 2.589 20 10 FFCDRN NC(=O)c1cnc(NCc2ccc(N3CCC(CO)CC3)cc2)c(Cl)c1 ZINC000054061018 506486883 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COc1cccc(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000047293819 507304451 /nfs/dbraw/zinc/30/44/51/507304451.db2.gz AMNQFHSJIZHWHS-UHFFFAOYSA-N 0 0 372.440 2.654 20 10 FFCDRN COc1cccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000047321811 507308383 /nfs/dbraw/zinc/30/83/83/507308383.db2.gz YAKYQFHVDKHSEX-UHFFFAOYSA-N 0 0 359.401 2.993 20 10 FFCDRN CNC(=O)c1ccc(OC)c(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000058625211 507446647 /nfs/dbraw/zinc/44/66/47/507446647.db2.gz HVGGNFBYUAVMFT-UHFFFAOYSA-N 0 0 374.416 2.582 20 10 FFCDRN Cc1ccccc1[C@@H](CC(=O)NCc1ccc(N(C)C)c(F)c1)NC(N)=O ZINC000058733933 507458172 /nfs/dbraw/zinc/45/81/72/507458172.db2.gz KLPQWSRRPVLXJD-QGZVFWFLSA-N 0 0 372.444 2.616 20 10 FFCDRN Cc1cc(C(=O)N2CCC(CC(N)=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000061979680 507649668 /nfs/dbraw/zinc/64/96/68/507649668.db2.gz VEPDWOOFEAZHAV-UHFFFAOYSA-N 0 0 357.429 2.961 20 10 FFCDRN Cc1cc(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)no1 ZINC000072504383 507800663 /nfs/dbraw/zinc/80/06/63/507800663.db2.gz 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COc1ccc([C@@H](CO)N(C)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000113363335 508262353 /nfs/dbraw/zinc/26/23/53/508262353.db2.gz LBYKABROGFECKW-LJQANCHMSA-N 0 0 357.454 2.636 20 10 FFCDRN COCc1cccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000084815232 508294061 /nfs/dbraw/zinc/29/40/61/508294061.db2.gz IZJXQPFQYKGSTE-UHFFFAOYSA-N 0 0 358.413 2.943 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CCc2nc(-c3ccsc3)no2)c1 ZINC000114543731 508325470 /nfs/dbraw/zinc/32/54/70/508325470.db2.gz UUYNCZGTGFTQBM-UHFFFAOYSA-N 0 0 359.407 2.761 20 10 FFCDRN Cc1cccnc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000105162964 508363942 /nfs/dbraw/zinc/36/39/42/508363942.db2.gz KNODAFCPODQZHN-UHFFFAOYSA-N 0 0 368.481 2.598 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCc2nc(-c3ccccn3)no2)cc1F ZINC000121744836 508408864 /nfs/dbraw/zinc/40/88/64/508408864.db2.gz JHKQBAJNDWCKLW-UHFFFAOYSA-N 0 0 369.400 2.586 20 10 FFCDRN Cn1c(=O)oc2c1cccc2C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000133926054 508468755 /nfs/dbraw/zinc/46/87/55/508468755.db2.gz NOYJRKRGPIYEFC-UHFFFAOYSA-N 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O=C(c1c(F)ccc(O)c1O)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000295707028 511490452 /nfs/dbraw/zinc/49/04/52/511490452.db2.gz UJWGFLWKOMXEHX-UHFFFAOYSA-N 0 0 359.397 2.694 20 10 FFCDRN COc1ccc(SCCC(=O)NCc2ccc(O)c(O)c2)cc1OC ZINC000272345556 511492018 /nfs/dbraw/zinc/49/20/18/511492018.db2.gz PLVBGUPDSOHSOW-UHFFFAOYSA-N 0 0 363.435 2.914 20 10 FFCDRN COc1cccc(N2CC[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000272431057 511493699 /nfs/dbraw/zinc/49/36/99/511493699.db2.gz LFXIYGYUAFHFMA-VFADXPBXSA-N 0 0 354.406 2.515 20 10 FFCDRN Cc1ccc(C(=O)N2CCn3c(C4CCCC4)nnc3[C@H]2C)c(O)c1O ZINC000292179327 511495995 /nfs/dbraw/zinc/49/59/95/511495995.db2.gz FGJHHAUJPFTLCR-GFCCVEGCSA-N 0 0 356.426 2.872 20 10 FFCDRN Cc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(O[C@H]2CCOC2)c1 ZINC000272581585 511500391 /nfs/dbraw/zinc/50/03/91/511500391.db2.gz FAALMHIVSNSVFC-PFWMLDTASA-N 0 0 369.417 2.904 20 10 FFCDRN O=C(NCCOc1ccccc1F)NCc1ccc(N2CCOCC2)cc1 ZINC000299109852 511518451 /nfs/dbraw/zinc/51/84/51/511518451.db2.gz OQXUAJCFOMJTIG-UHFFFAOYSA-N 0 0 373.428 2.541 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccnc(-n3cncn3)c2)C2CC2)cc1 ZINC000299116247 511520299 /nfs/dbraw/zinc/52/02/99/511520299.db2.gz ZBLLCAWZQVCYJD-UHFFFAOYSA-N 0 0 362.437 2.533 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000273415729 511524281 /nfs/dbraw/zinc/52/42/81/511524281.db2.gz QTJGPYOPJLKUDR-OAHLLOKOSA-N 0 0 369.465 2.889 20 10 FFCDRN CCNC(=O)COc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)cc1 ZINC000273499739 511529242 /nfs/dbraw/zinc/52/92/42/511529242.db2.gz PWQHHDCCQYTIFY-CYBMUJFWSA-N 0 0 372.421 2.867 20 10 FFCDRN COc1ccc(N2CC[NH+](CCCN[C@@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000295847739 511533947 /nfs/dbraw/zinc/53/39/47/511533947.db2.gz FXZANWSCZGQLEJ-YLJYHZDGSA-N 0 0 369.513 2.699 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1[nH]nc2ccccc21 ZINC000299157302 511534004 /nfs/dbraw/zinc/53/40/04/511534004.db2.gz NHMWYIGRTZHAHN-UHFFFAOYSA-N 0 0 368.412 2.593 20 10 FFCDRN C[C@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273610796 511550331 /nfs/dbraw/zinc/55/03/31/511550331.db2.gz VTDKJSQQFVUCOE-VIFPVBQESA-N 0 0 371.319 2.872 20 10 FFCDRN CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(OC)c(OC)cc2O)cc1 ZINC000280673866 511559103 /nfs/dbraw/zinc/55/91/03/511559103.db2.gz MLVJNTBKEMLISJ-HNNXBMFYSA-N 0 0 374.437 2.522 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCc3cncc(C)c3)CC2)cc1F ZINC000292350894 511563983 /nfs/dbraw/zinc/56/39/83/511563983.db2.gz DRNPTCZSPIVLFZ-UHFFFAOYSA-N 0 0 357.429 2.819 20 10 FFCDRN COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000296008139 511587222 /nfs/dbraw/zinc/58/72/22/511587222.db2.gz QYIFUPFWLJPFHK-ZFWWWQNUSA-N 0 0 366.458 2.687 20 10 FFCDRN O=C(Nc1cccc(F)c1)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000280757614 511590751 /nfs/dbraw/zinc/59/07/51/511590751.db2.gz XSPUOQKDDYTVMK-UHFFFAOYSA-N 0 0 358.369 2.728 20 10 FFCDRN Cc1ccc(C(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c(O)c1O ZINC000273735628 511591055 /nfs/dbraw/zinc/59/10/55/511591055.db2.gz QEPMOGNPMIQMDO-UHFFFAOYSA-N 0 0 368.389 2.698 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC(n3ccnc3)CC2)c([N+](=O)[O-])c1 ZINC000299471894 511649599 /nfs/dbraw/zinc/64/95/99/511649599.db2.gz AMLKSWJIVMWSEX-HWKANZROSA-N 0 0 356.382 2.819 20 10 FFCDRN Cc1nnc([C@H](C)NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)s1 ZINC000273971991 511675554 /nfs/dbraw/zinc/67/55/54/511675554.db2.gz MQEMXZQRMVDUAX-LJLILKBBSA-N 0 0 358.467 2.574 20 10 FFCDRN COc1ccc(N2CCN(c3cncc(-n4nc(C)cc4C)n3)CC2)cc1 ZINC000301180744 511689076 /nfs/dbraw/zinc/68/90/76/511689076.db2.gz MYVZJCDWURZCOB-UHFFFAOYSA-N 0 0 364.453 2.614 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ncc([N+](=O)[O-])cn2)cc1 ZINC000274038847 511700444 /nfs/dbraw/zinc/70/04/44/511700444.db2.gz XOKYLVQJYNSSKB-QGZVFWFLSA-N 0 0 357.414 2.636 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1 ZINC000296361937 511713991 /nfs/dbraw/zinc/71/39/91/511713991.db2.gz NPTQJGDVGMZQEW-MRXNPFEDSA-N 0 0 360.502 2.576 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCc3ccccc32)cc1 ZINC000284423704 511717791 /nfs/dbraw/zinc/71/77/91/511717791.db2.gz SQMKNODLBVMCJG-IBGZPJMESA-N 0 0 351.450 2.515 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN1CC(F)(F)F ZINC000292819381 511732417 /nfs/dbraw/zinc/73/24/17/511732417.db2.gz ZQWYEHDRHXLBNB-MRXNPFEDSA-N 0 0 355.404 2.930 20 10 FFCDRN COc1c([O-])c(C[NH2+]C2CCN(c3nccs3)CC2)ccc1[N+](=O)[O-] ZINC000281158260 511741422 /nfs/dbraw/zinc/74/14/22/511741422.db2.gz FZSMSXNPRPWVGS-UHFFFAOYSA-N 0 0 364.427 2.524 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000281259953 511778377 /nfs/dbraw/zinc/77/83/77/511778377.db2.gz APSXYFYLJCWNCU-GFCCVEGCSA-N 0 0 355.394 2.587 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCO[C@@H](C)C1 ZINC000296541267 511790234 /nfs/dbraw/zinc/79/02/34/511790234.db2.gz FEGLDBBYWZRXKF-YJBOKZPZSA-N 0 0 354.516 2.860 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@H](c3ncon3)C2)c(C)n1-c1ccc(F)cc1 ZINC000363831073 511794965 /nfs/dbraw/zinc/79/49/65/511794965.db2.gz VTMHIBZOHGPYKW-QGZVFWFLSA-N 0 0 370.384 2.830 20 10 FFCDRN COc1ccc(C[C@@](C)(O)C[NH2+][C@H]2CCc3cccc(O)c32)cc1OC ZINC000296633338 511829843 /nfs/dbraw/zinc/82/98/43/511829843.db2.gz BLKGNOIVVMDRCR-HRAATJIYSA-N 0 0 357.450 2.980 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc3c(cc2OC)CCC(=O)N3)c1O ZINC000274430647 511832285 /nfs/dbraw/zinc/83/22/85/511832285.db2.gz HYTXGPWSEFKLGQ-UHFFFAOYSA-N 0 0 371.393 2.616 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(Cl)n2)cc1 ZINC000284719486 511839395 /nfs/dbraw/zinc/83/93/95/511839395.db2.gz JICIRQHBMRDVFM-UHFFFAOYSA-N 0 0 360.845 2.836 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000281632855 511914810 /nfs/dbraw/zinc/91/48/10/511914810.db2.gz OKFGARCZGNHISX-GFCCVEGCSA-N 0 0 361.467 2.955 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCc3cccc(C)n3)CC2)cc1 ZINC000366238131 511916611 /nfs/dbraw/zinc/91/66/11/511916611.db2.gz WFIRKGAKOIANQL-UHFFFAOYSA-N 0 0 368.481 2.863 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000274720677 511920725 /nfs/dbraw/zinc/92/07/25/511920725.db2.gz AAOUFHJIKFRIEL-GFCCVEGCSA-N 0 0 368.437 2.799 20 10 FFCDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000281654531 511922123 /nfs/dbraw/zinc/92/21/23/511922123.db2.gz SAQVCACNFYPRRT-ZDUSSCGKSA-N 0 0 374.393 2.831 20 10 FFCDRN CCOC(=O)[C@@H](NCc1cccc(OC)c1O)c1ccc(OC)c(F)c1 ZINC000275122305 512047901 /nfs/dbraw/zinc/04/79/01/512047901.db2.gz JJEKGJBKZKDMJM-KRWDZBQOSA-N 0 0 363.385 2.943 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(C(C)=O)cn3)CC2)cc1F ZINC000297200425 512058688 /nfs/dbraw/zinc/05/86/88/512058688.db2.gz OBQDGDPTOUXAMF-UHFFFAOYSA-N 0 0 372.400 2.786 20 10 FFCDRN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293734585 512068180 /nfs/dbraw/zinc/06/81/80/512068180.db2.gz VDQCTRGGYYURRC-ZDUSSCGKSA-N 0 0 357.241 2.620 20 10 FFCDRN Nc1ccc(CNC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 ZINC000297228160 512068942 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COc1ccc(N2CCCN(C(=O)c3cccc([N+](=O)[O-])c3N)CC2)cc1 ZINC000371856492 512604620 /nfs/dbraw/zinc/60/46/20/512604620.db2.gz SUNKPSUBZQXWAO-UHFFFAOYSA-N 0 0 370.409 2.538 20 10 FFCDRN COc1ccc(N2CCCN(c3nnc(-c4ccon4)s3)CC2)cc1 ZINC000376116787 512668996 /nfs/dbraw/zinc/66/89/96/512668996.db2.gz PXYBUMGZWUYDBN-UHFFFAOYSA-N 0 0 357.439 2.918 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@H](COC(C)C)C2)c(C)n1-c1ccccn1 ZINC000372189640 512752176 /nfs/dbraw/zinc/75/21/76/512752176.db2.gz ZNAUYOZPVXFOAL-KRWDZBQOSA-N 0 0 357.454 2.755 20 10 FFCDRN COCc1nc([C@H]2COCCN2Cc2ccc(N3CCCCC3)cc2)no1 ZINC000378537624 512813376 /nfs/dbraw/zinc/81/33/76/512813376.db2.gz KJFYYMCQJFROJX-GOSISDBHSA-N 0 0 372.469 2.780 20 10 FFCDRN COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000370344256 512886222 /nfs/dbraw/zinc/88/62/22/512886222.db2.gz WCRSAVHRJBBCSO-MOPGFXCFSA-N 0 0 370.449 2.887 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC000376967694 513070731 /nfs/dbraw/zinc/07/07/31/513070731.db2.gz MVUXKRFHLPVHFV-MGPUTAFESA-N 0 0 360.454 2.998 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c1 ZINC000370723172 513071278 /nfs/dbraw/zinc/07/12/78/513071278.db2.gz SHLXVSLBNDBXCM-LJQANCHMSA-N 0 0 370.430 2.646 20 10 FFCDRN C[C@@H]1CCC2=S=C(C(=O)Nc3ccc(-c4ccnn4C)nn3)C=C2C1 ZINC000415995984 513526554 /nfs/dbraw/zinc/52/65/54/513526554.db2.gz YVOKTMWOWGYLHY-LLVKDONJSA-N 0 0 353.451 2.654 20 10 FFCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2C(=O)c1ccoc1CC(N)=O ZINC000422046363 513545921 /nfs/dbraw/zinc/54/59/21/513545921.db2.gz ZVDFLPKRPOCVMB-CQSZACIVSA-N 0 0 356.422 2.791 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCCNC(=O)C1CCC1 ZINC000472271205 515195446 /nfs/dbraw/zinc/19/54/46/515195446.db2.gz BXSRJKWQIZCUIK-UHFFFAOYSA-N 0 0 370.497 2.935 20 10 FFCDRN COCc1cccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000472776975 515394004 /nfs/dbraw/zinc/39/40/04/515394004.db2.gz SBCBHLVYSDKSDT-UHFFFAOYSA-N 0 0 365.433 2.888 20 10 FFCDRN CCCCn1nccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472808166 515406274 /nfs/dbraw/zinc/40/62/74/515406274.db2.gz LJBTXOAKRGZUCM-UHFFFAOYSA-N 0 0 367.453 2.738 20 10 FFCDRN CCC(=O)N[C@H](CCSC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000473281673 515561646 /nfs/dbraw/zinc/56/16/46/515561646.db2.gz GMVNGBQKPDLYGJ-OAHLLOKOSA-N 0 0 361.511 2.751 20 10 FFCDRN COCCc1cc(NC(=O)NCc2c(C)c3ccccc3n2C)n(C)n1 ZINC000469935429 516036954 /nfs/dbraw/zinc/03/69/54/516036954.db2.gz MVFCIJBRSUCFRO-UHFFFAOYSA-N 0 0 355.442 2.731 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)C(C1CC1)C1CC1 ZINC000561373155 516549148 /nfs/dbraw/zinc/54/91/48/516549148.db2.gz YWUJKOMQNOEYRW-UHFFFAOYSA-N 0 0 353.466 2.750 20 10 FFCDRN COc1cc2c(cc1C(=O)N1CCOc3cc(N(C)C)ccc31)OCO2 ZINC000544721683 516894615 /nfs/dbraw/zinc/89/46/15/516894615.db2.gz MYLMFLQWOXVLGW-UHFFFAOYSA-N 0 0 356.378 2.529 20 10 FFCDRN Cc1cc(CN2CCN(S(=O)(=O)C3CC3)CC2)c(O)c(C(C)(C)C)c1 ZINC000530103608 517567839 /nfs/dbraw/zinc/56/78/39/517567839.db2.gz WXTCDSFJLDKCCU-UHFFFAOYSA-N 0 0 366.527 2.608 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000528281978 518162819 /nfs/dbraw/zinc/16/28/19/518162819.db2.gz QEZGYASQYLHUEZ-QISWUMQESA-N 0 0 357.248 2.766 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)CCc1cccs1 ZINC000582023121 518550247 /nfs/dbraw/zinc/55/02/47/518550247.db2.gz UDJLXROMGIZLIM-UHFFFAOYSA-N 0 0 369.490 2.866 20 10 FFCDRN CCOC(=O)c1[nH]c(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000567940778 518794505 /nfs/dbraw/zinc/79/45/05/518794505.db2.gz DWOKJPHPALVDAX-UHFFFAOYSA-N 0 0 371.437 2.913 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CC[C@@H](CC(C)C)C1 ZINC000568906319 519275801 /nfs/dbraw/zinc/27/58/01/519275801.db2.gz SQBPVKPGGVNMQB-INIZCTEOSA-N 0 0 355.482 2.998 20 10 FFCDRN COC(=O)Cc1sccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000601261097 520713141 /nfs/dbraw/zinc/71/31/41/520713141.db2.gz KNFSSRAHKPWLQM-UHFFFAOYSA-N 0 0 360.435 2.569 20 10 FFCDRN COc1cccc([C@H](OC)C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000611656511 521266327 /nfs/dbraw/zinc/26/63/27/521266327.db2.gz DBSYBLFEBMSKIW-IBGZPJMESA-N 0 0 356.422 2.874 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CN(C)c1ccc(Cl)cn1 ZINC000608250350 521638547 /nfs/dbraw/zinc/63/85/47/521638547.db2.gz MKCNJCWPAJEOJZ-UHFFFAOYSA-N 0 0 360.845 2.663 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@@](C)(COC)C3)ccc21 ZINC000629902851 522512792 /nfs/dbraw/zinc/51/27/92/522512792.db2.gz DEXISXQMSBSAAI-OAQYLSRUSA-N 0 0 374.481 2.782 20 10 FFCDRN Cc1cc(C(=O)N(C)c2cccnc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737227366 598910227 /nfs/dbraw/zinc/91/02/27/598910227.db2.gz KEHCSVYUUXLSQA-UHFFFAOYSA-N 0 0 373.420 2.946 20 10 FFCDRN C1=CCN(c2ccc(CNc3c4ccccc4nnc3-c3nn[nH]n3)cc2)C1 ZINC000735397555 598972018 /nfs/dbraw/zinc/97/20/18/598972018.db2.gz CPIMPJVSODQUFW-UHFFFAOYSA-N 0 0 370.420 2.798 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000737270559 599064618 /nfs/dbraw/zinc/06/46/18/599064618.db2.gz MNYCHOCWNXTZLN-UHFFFAOYSA-N 0 0 353.386 2.761 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CCc1ccc(-c2nn[nH]n2)cc1 ZINC000736479817 598423137 /nfs/dbraw/zinc/42/31/37/598423137.db2.gz IRMVVWIEJCSWBY-UHFFFAOYSA-N 0 0 365.437 2.944 20 10 FFCDRN c1ccn2c(c1)nc(NCc1ccc(N3CCCC3)cc1)c2-c1nn[nH]n1 ZINC000738445703 598567167 /nfs/dbraw/zinc/56/71/67/598567167.db2.gz LDRHIUHYTCORJU-UHFFFAOYSA-N 0 0 360.425 2.727 20 10 FFCDRN CNc1cc2c(nn1)CC[N@H+](Cc1c(O)c(C(=O)[O-])cc3ccccc31)C2 ZINC000737562435 600313221 /nfs/dbraw/zinc/31/32/21/600313221.db2.gz NIMLOJHAQSRFEF-UHFFFAOYSA-N 0 0 364.405 2.634 20 10 FFCDRN COCCOC[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000831763769 600717231 /nfs/dbraw/zinc/71/72/31/600717231.db2.gz WZCDMSVYWUGUDZ-CQSZACIVSA-N 0 0 359.422 2.729 20 10 FFCDRN C[N@H+](CC1CC1)C[C@@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830714826 600986587 /nfs/dbraw/zinc/98/65/87/600986587.db2.gz ZDGNURKVAPTGNC-YERXGYGTSA-N 0 0 359.426 2.861 20 10 FFCDRN O=C([O-])N1CCC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000740506119 602649161 /nfs/dbraw/zinc/64/91/61/602649161.db2.gz WDEHYJVCNLGBHK-UHFFFAOYSA-N 0 0 362.430 2.817 20 10 FFCDRN O=C([O-])NC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000740614387 603072884 /nfs/dbraw/zinc/07/28/84/603072884.db2.gz ROHUUISOHKSBBR-OAHLLOKOSA-N 0 0 362.430 2.721 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000825434843 607673230 /nfs/dbraw/zinc/67/32/30/607673230.db2.gz HEJQGDVHLGZBML-UHFFFAOYSA-N 0 0 364.453 2.903 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000825480399 604316023 /nfs/dbraw/zinc/31/60/23/604316023.db2.gz XINYOODOOQRCDO-STQMWFEESA-N 0 0 353.850 2.580 20 10 FFCDRN c1cc(-c2nn[nH]n2)ccc1OCCOc1ccc(N2CCCC2)cc1 ZINC000823742188 606617403 /nfs/dbraw/zinc/61/74/03/606617403.db2.gz AGLDOJAEKVZFMF-UHFFFAOYSA-N 0 0 351.410 2.925 20 10 FFCDRN CCNC(=O)NC(=O)[C@H](C)N(Cc1cccs1)c1ccc(OC)cc1 ZINC000152802989 728766668 /nfs/dbraw/zinc/76/66/68/728766668.db2.gz CWPXCWBESGDCRZ-ZDUSSCGKSA-N 0 0 361.467 2.998 20 10 FFCDRN COc1cccc(CNS(=O)(=O)Cc2ccc(F)c(Cl)c2)c1O ZINC000155392331 728827169 /nfs/dbraw/zinc/82/71/69/728827169.db2.gz RDCXPVXGGKZVSM-UHFFFAOYSA-N 0 0 359.806 2.813 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccccc1Cl ZINC000157456836 728872390 /nfs/dbraw/zinc/87/23/90/728872390.db2.gz PDBMIZFOMGZYOB-UHFFFAOYSA-N 0 0 355.825 2.971 20 10 FFCDRN CC(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(N)cc2)cc1 ZINC000160411441 728921341 /nfs/dbraw/zinc/92/13/41/728921341.db2.gz KLARWMPBHWPHOH-UHFFFAOYSA-N 0 0 361.467 2.699 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2cccc3cc(C)cnc32)c1O ZINC000161118179 728929229 /nfs/dbraw/zinc/92/92/29/728929229.db2.gz QTXXUVUIRNSOHW-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc3cnccc32)c1 ZINC000161170670 728929699 /nfs/dbraw/zinc/92/96/99/728929699.db2.gz WDQICLFGMXJJEV-GFCCVEGCSA-N 0 0 358.419 2.989 20 10 FFCDRN CN(C)C(=O)O[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897883998 735289474 /nfs/dbraw/zinc/28/94/74/735289474.db2.gz QWQNCTQQBAEINR-LLVKDONJSA-N 0 0 364.423 2.615 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(F)c(Br)c1 ZINC000743901559 735324258 /nfs/dbraw/zinc/32/42/58/735324258.db2.gz KAVJGNPYOMTHGL-UHFFFAOYSA-N 0 0 367.174 2.549 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cn(C)cn1 ZINC000898628625 735390772 /nfs/dbraw/zinc/39/07/72/735390772.db2.gz UVSUADXYNRMIRU-UHFFFAOYSA-N 0 0 367.247 2.620 20 10 FFCDRN O=C(COc1ccc(O)cc1)NCc1ccc(N2CCSCC2)cc1 ZINC000746133016 735464677 /nfs/dbraw/zinc/46/46/77/735464677.db2.gz RNIDKNIWIMRXGJ-UHFFFAOYSA-N 0 0 358.463 2.641 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCC(C)(C)C(C)=O)CC2)cc1F ZINC000746208749 735470168 /nfs/dbraw/zinc/47/01/68/735470168.db2.gz OJQIYFKNGYVOCW-UHFFFAOYSA-N 0 0 350.434 2.878 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCc3nccs3)CC2)cc1 ZINC000051337633 728067908 /nfs/dbraw/zinc/06/79/08/728067908.db2.gz UBHJTNGEVLFNQP-UHFFFAOYSA-N 0 0 360.483 2.616 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000064253435 728147109 /nfs/dbraw/zinc/14/71/09/728147109.db2.gz QPKBTHLMHMWJBO-CQSZACIVSA-N 0 0 358.408 2.531 20 10 FFCDRN CCS(=O)(=O)CCN(C)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000089375656 728442921 /nfs/dbraw/zinc/44/29/21/728442921.db2.gz CYFLJTNKLPMKBC-UHFFFAOYSA-N 0 0 362.495 2.909 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cccnc2OCC(F)F)cc1F ZINC000089784771 728446254 /nfs/dbraw/zinc/44/62/54/728446254.db2.gz WRBJYRRVSQMIRP-UHFFFAOYSA-N 0 0 353.344 2.861 20 10 FFCDRN C[C@@H]1CN=C(N2CCN(Cc3cc(Br)ccc3O)CC2)S1 ZINC000093662812 728476646 /nfs/dbraw/zinc/47/66/46/728476646.db2.gz GGZIWTKISWLTHB-LLVKDONJSA-N 0 0 370.316 2.764 20 10 FFCDRN COc1ccc(Br)c(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000098074650 728484140 /nfs/dbraw/zinc/48/41/40/728484140.db2.gz MQKUNXNDOLLZOZ-UHFFFAOYSA-N 0 0 366.211 2.841 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000899605170 735526713 /nfs/dbraw/zinc/52/67/13/735526713.db2.gz ZQHQVFLJRMNVOM-CQSZACIVSA-N 0 0 361.341 2.699 20 10 FFCDRN COC(=O)CSCCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000105602230 728507151 /nfs/dbraw/zinc/50/71/51/728507151.db2.gz DEFPEVSGMWUFJK-UHFFFAOYSA-N 0 0 352.481 2.792 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cc(F)c(F)cc2F)cc1F ZINC000105619596 728507420 /nfs/dbraw/zinc/50/74/20/728507420.db2.gz SDQGKNRLEQKPFQ-UHFFFAOYSA-N 0 0 362.348 2.788 20 10 FFCDRN Cc1nc(-c2cnn(C)c2)sc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000115009917 728563865 /nfs/dbraw/zinc/56/38/65/728563865.db2.gz GKGCVBQHDZUEAQ-UHFFFAOYSA-N 0 0 355.467 2.848 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000747147813 735538258 /nfs/dbraw/zinc/53/82/58/735538258.db2.gz DWGNSNFATBATLD-SAPNQHFASA-N 0 0 357.479 2.979 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2cc(C)c(F)cc2Cl)c1 ZINC000119830374 728601125 /nfs/dbraw/zinc/60/11/25/728601125.db2.gz MOUUUQMLQZETAW-UHFFFAOYSA-N 0 0 359.806 2.980 20 10 FFCDRN O=C(CN1CCN(Cc2cc(Cl)ccc2O)CC1)N1CCCCCC1 ZINC000121672613 728635049 /nfs/dbraw/zinc/63/50/49/728635049.db2.gz HTQUKNNRWSLAIE-UHFFFAOYSA-N 0 0 365.905 2.566 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCCOc2cccc(F)c2)cc1F ZINC000121732654 728638135 /nfs/dbraw/zinc/63/81/35/728638135.db2.gz SDFULUHZJPNSGM-UHFFFAOYSA-N 0 0 350.365 2.605 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(F)c(Br)c1 ZINC000122298696 728645905 /nfs/dbraw/zinc/64/59/05/728645905.db2.gz LOAZWKGAKBKEFB-UHFFFAOYSA-N 0 0 354.175 2.972 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(Br)c1 ZINC000122333418 728646378 /nfs/dbraw/zinc/64/63/78/728646378.db2.gz SBMBOQAZMADYKL-UHFFFAOYSA-N 0 0 363.211 2.752 20 10 FFCDRN Cc1cc(C(=O)CN(C)CCO)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000123124931 728655363 /nfs/dbraw/zinc/65/53/63/728655363.db2.gz NSTQVUPBCKNTMF-UHFFFAOYSA-N 0 0 352.381 2.802 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)CCS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000126337424 728699545 /nfs/dbraw/zinc/69/95/45/728699545.db2.gz HJWFAVZMKPLLJW-CQSZACIVSA-N 0 0 362.495 2.956 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cnn2c1CCCC2 ZINC000127939062 728707610 /nfs/dbraw/zinc/70/76/10/728707610.db2.gz XKFBAJARQNUQHC-UHFFFAOYSA-N 0 0 356.495 2.703 20 10 FFCDRN CC[S@](=O)c1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000131817255 728723067 /nfs/dbraw/zinc/72/30/67/728723067.db2.gz KWBDTETWZHFEPD-RUZDIDTESA-N 0 0 358.463 2.903 20 10 FFCDRN CNC(=O)Cc1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000151783837 728746872 /nfs/dbraw/zinc/74/68/72/728746872.db2.gz NJGQLYQZTPGXAO-UHFFFAOYSA-N 0 0 364.496 2.736 20 10 FFCDRN CCC(CC)[C@H](C(=O)NCCCSc1nccs1)N1CCOCC1 ZINC000173702050 729052729 /nfs/dbraw/zinc/05/27/29/729052729.db2.gz QTRUKYQJOLDRSM-OAHLLOKOSA-N 0 0 371.572 2.879 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)c1 ZINC000176846918 729121765 /nfs/dbraw/zinc/12/17/65/729121765.db2.gz NCULVDMAXHGPOB-UHFFFAOYSA-N 0 0 370.739 2.587 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000177241941 729132487 /nfs/dbraw/zinc/13/24/87/729132487.db2.gz WCWHLNFDYWTRTO-UHFFFAOYSA-N 0 0 352.406 2.787 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccc(Cl)nc2Cl)c1O ZINC000178683540 729167574 /nfs/dbraw/zinc/16/75/74/729167574.db2.gz WZJTZDWGTOIIOE-UHFFFAOYSA-N 0 0 363.222 2.581 20 10 FFCDRN CCn1cc(Br)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000179087252 729177478 /nfs/dbraw/zinc/17/74/78/729177478.db2.gz DCYFKVLKPZNKTQ-UHFFFAOYSA-N 0 0 353.216 2.654 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(C)(CO)CC2)cc1F ZINC000184715996 729331669 /nfs/dbraw/zinc/33/16/69/729331669.db2.gz WWYOEKASYBNURL-UHFFFAOYSA-N 0 0 351.466 2.976 20 10 FFCDRN C[C@H]1CN(C(=O)CN2CCCc3cc(OC(F)F)ccc32)C[C@H](C)O1 ZINC000193988774 729496521 /nfs/dbraw/zinc/49/65/21/729496521.db2.gz MEADVXFZLZRICS-STQMWFEESA-N 0 0 354.397 2.676 20 10 FFCDRN Cc1cc(C(=O)NC2CCS(=O)(=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000194514704 729512545 /nfs/dbraw/zinc/51/25/45/729512545.db2.gz YUTRICLVCNPNLB-UHFFFAOYSA-N 0 0 364.442 2.540 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](C)O1 ZINC000245966431 729577836 /nfs/dbraw/zinc/57/78/36/729577836.db2.gz VQPGGXDHEHRMHW-SCAQPMJSSA-N 0 0 363.527 2.995 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)[C@@H]3CC(F)(F)CN3C2=O)cc1F ZINC000924601915 738433142 /nfs/dbraw/zinc/43/31/42/738433142.db2.gz SOCMMMOLEPONAI-AWEZNQCLSA-N 0 0 355.360 2.844 20 10 FFCDRN CC[C@H]1C(=O)N(CC)CCN1Cc1cc(C)cc(Br)c1O ZINC000779215041 738443891 /nfs/dbraw/zinc/44/38/91/738443891.db2.gz GZYYFWIJCVLEIP-AWEZNQCLSA-N 0 0 355.276 2.906 20 10 FFCDRN CCCc1ncc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000856211422 730316100 /nfs/dbraw/zinc/31/61/00/730316100.db2.gz PGYQVHIVDYZWPE-UHFFFAOYSA-N 0 0 359.495 2.987 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2C[C@H](O)C2)c(C)n1-c1ccc(Br)cn1 ZINC000856393314 730332572 /nfs/dbraw/zinc/33/25/72/730332572.db2.gz KUJOPAJIKXYZJU-JOCQHMNTSA-N 0 0 364.243 2.505 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(O)(C(F)F)CC1 ZINC000779525436 738468805 /nfs/dbraw/zinc/46/88/05/738468805.db2.gz QHFKLJYYGPDVMF-UHFFFAOYSA-N 0 0 353.413 2.588 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)c1 ZINC000858452907 730426101 /nfs/dbraw/zinc/42/61/01/730426101.db2.gz PILSXTCPMUKOHL-VIFPVBQESA-N 0 0 357.332 2.782 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)c2ncc(Br)cn2)c1 ZINC000858487756 730426998 /nfs/dbraw/zinc/42/69/98/730426998.db2.gz HRQPDHANEQLNQW-JTQLQIEISA-N 0 0 365.231 2.814 20 10 FFCDRN C[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000858602051 730429721 /nfs/dbraw/zinc/42/97/21/730429721.db2.gz PDLZMIIITTXOAC-KOLCDFICSA-N 0 0 363.683 2.525 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)OCCF ZINC000858907795 730436233 /nfs/dbraw/zinc/43/62/33/730436233.db2.gz GKWDNXRYPIOZDX-UHFFFAOYSA-N 0 0 350.312 2.738 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cncc(N2CCCC2=O)c1 ZINC000859351273 730451385 /nfs/dbraw/zinc/45/13/85/730451385.db2.gz KDFUTOZAXTXRKG-UHFFFAOYSA-N 0 0 362.480 2.577 20 10 FFCDRN Cc1cc(CNS(=O)(=O)C[C@@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000859363013 730452014 /nfs/dbraw/zinc/45/20/14/730452014.db2.gz PPNVTGSTPZOURH-QGZVFWFLSA-N 0 0 362.495 2.940 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CC(O)(c3ccc(Cl)cc3)C2)cc1OC ZINC000779707332 738478405 /nfs/dbraw/zinc/47/84/05/738478405.db2.gz DLLDPYXDOBXLNK-UHFFFAOYSA-N 0 0 364.785 2.973 20 10 FFCDRN Oc1cccc(Br)c1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000862388298 730695808 /nfs/dbraw/zinc/69/58/08/730695808.db2.gz ZOIUSZQVLDORBS-UFBFGSQYSA-N 0 0 354.166 2.900 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)c1 ZINC000862754369 730723353 /nfs/dbraw/zinc/72/33/53/730723353.db2.gz BRMCAAUMFCLCAF-UHFFFAOYSA-N 0 0 359.447 2.957 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCCN2C(=O)Cc2cccs2)c1 ZINC000862758664 730723777 /nfs/dbraw/zinc/72/37/77/730723777.db2.gz GBPLKTKIICOZIL-MRXNPFEDSA-N 0 0 358.463 2.612 20 10 FFCDRN CCCS(=O)(=O)CC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000863161418 730753208 /nfs/dbraw/zinc/75/32/08/730753208.db2.gz MTVLEONFODYOJC-UHFFFAOYSA-N 0 0 362.495 2.844 20 10 FFCDRN Cc1cc(CNC(=O)CS(=O)(=O)CC(C)C)c(C)n1-c1ccccc1 ZINC000863166501 730753508 /nfs/dbraw/zinc/75/35/08/730753508.db2.gz VKRKGFLPBUPWLR-UHFFFAOYSA-N 0 0 362.495 2.781 20 10 FFCDRN Cc1cc(CNC(=O)C[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000863166471 730753539 /nfs/dbraw/zinc/75/35/39/730753539.db2.gz UCSNHNHQJCXLPE-INIZCTEOSA-N 0 0 360.479 2.535 20 10 FFCDRN CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000863406132 730777623 /nfs/dbraw/zinc/77/76/23/730777623.db2.gz VDDLXOJSYRENAW-INIZCTEOSA-N 0 0 353.415 2.839 20 10 FFCDRN Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)NCc2ccccc2O)c1 ZINC000779896584 738494829 /nfs/dbraw/zinc/49/48/29/738494829.db2.gz XXLOQRHFQZDIJJ-UHFFFAOYSA-N 0 0 356.787 2.741 20 10 FFCDRN Cc1ccc(S(N)(=O)=O)c(NCc2ccc(N(C)C)c(F)c2)c1F ZINC000865482730 730961133 /nfs/dbraw/zinc/96/11/33/730961133.db2.gz FOQNKVUNBDIHPZ-UHFFFAOYSA-N 0 0 355.410 2.599 20 10 FFCDRN O=C(c1cnn(C(F)F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866898085 731115363 /nfs/dbraw/zinc/11/53/63/731115363.db2.gz PXHURMXXSLSWGU-CQSZACIVSA-N 0 0 351.353 2.805 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000867302041 731167632 /nfs/dbraw/zinc/16/76/32/731167632.db2.gz ITUIVZFMRSFUAC-ZJUUUORDSA-N 0 0 357.332 2.622 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)OCCC(F)(F)F ZINC000867382075 731178503 /nfs/dbraw/zinc/17/85/03/731178503.db2.gz KOSNKOUMMIJGLM-UHFFFAOYSA-N 0 0 368.302 2.980 20 10 FFCDRN CC[C@@H](C)Oc1cccc(S(=O)(=O)NCc2ccc(O)cc2O)c1 ZINC000867417468 731181960 /nfs/dbraw/zinc/18/19/60/731181960.db2.gz WMNHEUSRPZSNJO-GFCCVEGCSA-N 0 0 351.424 2.754 20 10 FFCDRN CCOC(=O)Cc1cccc(S(=O)(=O)N[C@H](C)c2ccccc2O)c1 ZINC000867834023 731231810 /nfs/dbraw/zinc/23/18/10/731231810.db2.gz CPFZELSPOVPZAQ-CYBMUJFWSA-N 0 0 363.435 2.537 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N[C@@H]3C[C@H]3C3CCOCC3)cs2)cc1 ZINC000868048249 731254730 /nfs/dbraw/zinc/25/47/30/731254730.db2.gz ZLFYBCWOCXZOTD-JKSUJKDBSA-N 0 0 357.479 2.861 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCC[C@@H]3CCSC3)C2)cc1 ZINC000868720061 731323615 /nfs/dbraw/zinc/32/36/15/731323615.db2.gz GQCUDMVBJCJROA-HZPDHXFCSA-N 0 0 363.527 2.964 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCC[C@H]3CCSC3)C2)cc1 ZINC000868720062 731323625 /nfs/dbraw/zinc/32/36/25/731323625.db2.gz GQCUDMVBJCJROA-JKSUJKDBSA-N 0 0 363.527 2.964 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@]12C[C@H]1CCCC2 ZINC000868838703 731337164 /nfs/dbraw/zinc/33/71/64/731337164.db2.gz NRDZXHWXPMHPNV-AUUYWEPGSA-N 0 0 350.409 2.998 20 10 FFCDRN O=C(NCC[C@H]1CCCS1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000868974230 731350885 /nfs/dbraw/zinc/35/08/85/731350885.db2.gz NEXOIIZNGDLQNP-GOSISDBHSA-N 0 0 363.527 2.733 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(Cl)cn3)CC2)c(OC)c1 ZINC000870164387 731477969 /nfs/dbraw/zinc/47/79/69/731477969.db2.gz VHFSBKCBBLWZRC-UHFFFAOYSA-N 0 0 361.829 2.715 20 10 FFCDRN C[C@@H]1CC[C@@H](C(=O)[O-])C[C@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000871879811 731693553 /nfs/dbraw/zinc/69/35/53/731693553.db2.gz KSXMFXJWMJOEMB-FRFSOERESA-N 0 0 350.434 2.641 20 10 FFCDRN Cc1cc(NCc2ccc(N3CCOCC3)cc2)cc(S(C)(=O)=O)c1 ZINC000873152004 731881666 /nfs/dbraw/zinc/88/16/66/731881666.db2.gz VQUIMKUGHPZOIW-UHFFFAOYSA-N 0 0 360.479 2.847 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2CCOC3(CCSCC3)C2)c1 ZINC000875400930 732152233 /nfs/dbraw/zinc/15/22/33/732152233.db2.gz RTRAHPRHDADHKQ-HNNXBMFYSA-N 0 0 350.484 2.945 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000875400931 732152305 /nfs/dbraw/zinc/15/23/05/732152305.db2.gz RTRAHPRHDADHKQ-OAHLLOKOSA-N 0 0 350.484 2.945 20 10 FFCDRN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876642870 732264570 /nfs/dbraw/zinc/26/45/70/732264570.db2.gz OFEWXBILFJEAAD-JTQLQIEISA-N 0 0 356.394 2.511 20 10 FFCDRN COC(=O)COc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1Cl ZINC000780987832 738592248 /nfs/dbraw/zinc/59/22/48/738592248.db2.gz ZIJFGZLYZCUHRL-UHFFFAOYSA-N 0 0 365.769 2.864 20 10 FFCDRN COc1cccc(CNC(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000926312978 738598711 /nfs/dbraw/zinc/59/87/11/738598711.db2.gz LXFHAQFYDJEHFN-WCQYABFASA-N 0 0 362.348 2.700 20 10 FFCDRN CCC1(CC)CN(Cc2ccc(N3CCC(O)CC3)cc2)CC[S@@]1=O ZINC000877401014 732357254 /nfs/dbraw/zinc/35/72/54/732357254.db2.gz ZIHGIJJBYIYNMI-VWLOTQADSA-N 0 0 364.555 2.771 20 10 FFCDRN O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000877798924 732434364 /nfs/dbraw/zinc/43/43/64/732434364.db2.gz GDZXAOMESKDNMR-PMPSAXMXSA-N 0 0 366.889 2.677 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)c1O ZINC000926411861 738612395 /nfs/dbraw/zinc/61/23/95/738612395.db2.gz MKIZXDQBMMHNTF-WCQYABFASA-N 0 0 362.348 2.700 20 10 FFCDRN CSc1cccc(-n2c(C)cc(C(=O)Cn3cnn(C)c3=O)c2C)c1 ZINC000781385249 738622769 /nfs/dbraw/zinc/62/27/69/738622769.db2.gz YRAJWNWVMJETOO-UHFFFAOYSA-N 0 0 356.451 2.594 20 10 FFCDRN COc1ccc(CNC(=O)Nc2c(Br)c(C)nn2C)c(O)c1 ZINC000879700996 732753690 /nfs/dbraw/zinc/75/36/90/732753690.db2.gz ODEPOUQVZZWPNK-UHFFFAOYSA-N 0 0 369.219 2.527 20 10 FFCDRN C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000879965206 732810843 /nfs/dbraw/zinc/81/08/43/732810843.db2.gz AJIVFFPNTIZOJZ-BJOHPYRUSA-N 0 0 364.243 2.860 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000781905950 738670125 /nfs/dbraw/zinc/67/01/25/738670125.db2.gz SAOASAZFNNVESE-UONOGXRCSA-N 0 0 353.260 2.706 20 10 FFCDRN CC[C@@H]([NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)ccc1O ZINC000926947401 738671791 /nfs/dbraw/zinc/67/17/91/738671791.db2.gz JODPDOAIWPOWJN-FTYZYXLQSA-N 0 0 356.260 2.999 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)C[C@@]3(C)CC3(F)F)CC2)cc1 ZINC000881855088 733120816 /nfs/dbraw/zinc/12/08/16/733120816.db2.gz LUWDXLOWLAOGPF-MRXNPFEDSA-N 0 0 374.453 2.629 20 10 FFCDRN O=S(=O)(CC[C@H]1CCCCO1)NCCCSc1nccs1 ZINC000881887442 733127697 /nfs/dbraw/zinc/12/76/97/733127697.db2.gz QZTPKNSTQUEFMH-GFCCVEGCSA-N 0 0 350.531 2.504 20 10 FFCDRN Brc1nnc2ccc(NCCCSc3nccs3)nn12 ZINC000881981637 733149782 /nfs/dbraw/zinc/14/97/82/733149782.db2.gz IWLXKARSJWAGRP-UHFFFAOYSA-N 0 0 371.289 2.938 20 10 FFCDRN CCOCCOCC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000927088322 738689829 /nfs/dbraw/zinc/68/98/29/738689829.db2.gz ZBDVNSGONNYPIX-SNVBAGLBSA-N 0 0 350.228 2.998 20 10 FFCDRN C[C@@H](NC(=O)NCCc1ccns1)c1ccc(N2CCOCC2)cc1 ZINC000883207889 733351004 /nfs/dbraw/zinc/35/10/04/733351004.db2.gz VGZSSLWOFIGPJA-CQSZACIVSA-N 0 0 360.483 2.583 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)CCCC3CC3)C2)cc1 ZINC000885252279 733641586 /nfs/dbraw/zinc/64/15/86/733641586.db2.gz YZHKILVOVRKOQJ-MRXNPFEDSA-N 0 0 352.500 2.631 20 10 FFCDRN C[C@@H](Oc1ccccc1Cl)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782695649 738748933 /nfs/dbraw/zinc/74/89/33/738748933.db2.gz FYESQFGDFIOEQX-SNVBAGLBSA-N 0 0 350.754 2.945 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)cc1 ZINC000886511511 733799527 /nfs/dbraw/zinc/79/95/27/733799527.db2.gz VTHZTHATRCLBJT-VXGBXAGGSA-N 0 0 352.431 2.851 20 10 FFCDRN C[C@@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000886736701 733823810 /nfs/dbraw/zinc/82/38/10/733823810.db2.gz HYRNBBAKUAYJJO-SECBINFHSA-N 0 0 367.298 2.774 20 10 FFCDRN Cc1nc(C)c(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)s1 ZINC000888289718 734032796 /nfs/dbraw/zinc/03/27/96/734032796.db2.gz KLEKLFVRTBBNFG-UHFFFAOYSA-N 0 0 363.458 2.595 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000888565416 734072333 /nfs/dbraw/zinc/07/23/33/734072333.db2.gz ISZXOSPTSUZHCK-LBPRGKRZSA-N 0 0 369.434 2.582 20 10 FFCDRN CCNC(=O)c1cc(NC(=O)NCc2cc(OC)ccc2O)c(C)s1 ZINC000889394576 734170575 /nfs/dbraw/zinc/17/05/75/734170575.db2.gz LZKWUPQSRUGDCP-UHFFFAOYSA-N 0 0 363.439 2.842 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CCCCS2)cc1 ZINC000783231825 738793472 /nfs/dbraw/zinc/79/34/72/738793472.db2.gz RHXYURNBKMVNGJ-INIZCTEOSA-N 0 0 350.484 2.540 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@H]2CCCCS2)cc1 ZINC000783231827 738793499 /nfs/dbraw/zinc/79/34/99/738793499.db2.gz RHXYURNBKMVNGJ-MRXNPFEDSA-N 0 0 350.484 2.540 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000890757748 734336324 /nfs/dbraw/zinc/33/63/24/734336324.db2.gz KJFXNFKWGJALPU-LLVKDONJSA-N 0 0 350.768 2.936 20 10 FFCDRN CC1(C)CNC(=O)c2c(C(=O)NCc3cccc(Cl)c3O)coc2C1 ZINC000890762490 734337024 /nfs/dbraw/zinc/33/70/24/734337024.db2.gz FCMMWJBFDBDDIP-UHFFFAOYSA-N 0 0 362.813 2.881 20 10 FFCDRN COC(=O)[C@@H](F)CNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000891273057 734408171 /nfs/dbraw/zinc/40/81/71/734408171.db2.gz BYFVTUVSCRQSEK-HNNXBMFYSA-N 0 0 352.406 2.748 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)C2(C(F)(F)F)CC2)cc1 ZINC000726224481 734414212 /nfs/dbraw/zinc/41/42/12/734414212.db2.gz DCKPXOCYQHVUFQ-UHFFFAOYSA-N 0 0 358.360 2.597 20 10 FFCDRN COC[C@H](C)NC(=S)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726493151 734431154 /nfs/dbraw/zinc/43/11/54/734431154.db2.gz CBJKNWVRHBLXMB-LBPRGKRZSA-N 0 0 373.469 2.756 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000726601361 734436728 /nfs/dbraw/zinc/43/67/28/734436728.db2.gz QLQLJBOGXRISMS-UHFFFAOYSA-N 0 0 360.479 2.951 20 10 FFCDRN CCOc1ccc(OCC)c(NC(=S)NN=c2nc(OC)cc[nH]2)c1 ZINC000726896961 734451869 /nfs/dbraw/zinc/45/18/69/734451869.db2.gz GTAZQFACPRWQLY-UHFFFAOYSA-N 0 0 363.443 2.596 20 10 FFCDRN Cc1cc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cc(C)c1OC(F)F ZINC000727176281 734470152 /nfs/dbraw/zinc/47/01/52/734470152.db2.gz OTXOQSVSORZFIV-YHYXMXQVSA-N 0 0 372.418 2.591 20 10 FFCDRN O=C(Cc1ccc(Br)s1)OCC(=O)c1ccc(O)c(O)c1 ZINC000783671271 738825822 /nfs/dbraw/zinc/82/58/22/738825822.db2.gz DHXDQPWBCCPQIB-UHFFFAOYSA-N 0 0 371.208 2.890 20 10 FFCDRN COc1cc(Br)cc([C@H]2NC3(CCCC3)C(=O)N2C)c1O ZINC000731853480 734701118 /nfs/dbraw/zinc/70/11/18/734701118.db2.gz FYEGKUQFWYYLSS-ZDUSSCGKSA-N 0 0 355.232 2.536 20 10 FFCDRN COc1ccc(CNc2ccc(C)c(S(C)(=O)=O)c2)c(O)c1OC ZINC000893435096 734702301 /nfs/dbraw/zinc/70/23/01/734702301.db2.gz PBJOOOGHMAIPRF-UHFFFAOYSA-N 0 0 351.424 2.733 20 10 FFCDRN COc1cc(N(C)[C@@H]2CCC3(C[C@@H]2F)OCCO3)cc(OC)c1OC ZINC000893462743 734704729 /nfs/dbraw/zinc/70/47/29/734704729.db2.gz UJGUSFXWVCEOOH-UONOGXRCSA-N 0 0 355.406 2.782 20 10 FFCDRN O=C(COC(=O)C1=CC(=O)CS1)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000732355049 734737198 /nfs/dbraw/zinc/73/71/98/734737198.db2.gz AVRBWHFNZAITPU-UHFFFAOYSA-N 0 0 357.290 2.571 20 10 FFCDRN C[C@@H](OCCCNC(=O)COC(=O)C1=CC(=O)CS1)c1ccccc1 ZINC000732355435 734737291 /nfs/dbraw/zinc/73/72/91/734737291.db2.gz NAKWPYZHHZRVDP-CYBMUJFWSA-N 0 0 363.435 2.895 20 10 FFCDRN COC(=O)c1cnc(CN2CCCN(c3ccc(OC)cc3)CC2)s1 ZINC000893969953 734780013 /nfs/dbraw/zinc/78/00/13/734780013.db2.gz VCYFWVIMJJEBEH-UHFFFAOYSA-N 0 0 361.467 2.651 20 10 FFCDRN Cc1ccc(C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1O ZINC000733475972 734824411 /nfs/dbraw/zinc/82/44/11/734824411.db2.gz IGBMBEHBPABYAQ-LBPRGKRZSA-N 0 0 351.399 2.963 20 10 FFCDRN O=C(NCCCSc1nccs1)c1ccc(=O)n(-c2ccccc2)n1 ZINC000733883805 734856243 /nfs/dbraw/zinc/85/62/43/734856243.db2.gz BZQJITACOCHGTN-UHFFFAOYSA-N 0 0 372.475 2.601 20 10 FFCDRN C[C@H](CC(=O)NCCCSc1nccs1)NC(=O)c1ccccc1 ZINC000733884452 734856257 /nfs/dbraw/zinc/85/62/57/734856257.db2.gz URMLHXCWQVGCQU-CYBMUJFWSA-N 0 0 363.508 2.950 20 10 FFCDRN 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COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(C)C)cc1C(F)(F)F ZINC000794782087 739929921 /nfs/dbraw/zinc/92/99/21/739929921.db2.gz PINISCKOSLLMLO-CYBMUJFWSA-N 0 0 357.332 2.572 20 10 FFCDRN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Br)cc(F)c1[O-] ZINC000794828233 739933755 /nfs/dbraw/zinc/93/37/55/739933755.db2.gz MEQDYMGYVBWFEK-MRVPVSSYSA-N 0 0 366.252 2.522 20 10 FFCDRN CN(Cc1nc(-c2cccs2)no1)Cc1cc2c(cc1O)OC[C@H]2O ZINC000795633525 740046763 /nfs/dbraw/zinc/04/67/63/740046763.db2.gz BJAUNTCQXXPKAT-CYBMUJFWSA-N 0 0 359.407 2.562 20 10 FFCDRN CNS(=O)(=O)c1cccc(NCc2ccc(N(C)C)c(F)c2)c1C ZINC000796442826 740144009 /nfs/dbraw/zinc/14/40/09/740144009.db2.gz HEQPSZJCHSJDBV-UHFFFAOYSA-N 0 0 351.447 2.720 20 10 FFCDRN CC[C@@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(F)cc1[O-] ZINC000796758891 740180391 /nfs/dbraw/zinc/18/03/91/740180391.db2.gz HGDRHFZHUSIGNQ-QGZVFWFLSA-N 0 0 351.466 2.515 20 10 FFCDRN C[C@H]1CN(C)c2ccccc2N(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000798441665 740332473 /nfs/dbraw/zinc/33/24/73/740332473.db2.gz XQISCFSSUMKXAX-LBPRGKRZSA-N 0 0 374.491 2.973 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000798937522 740375455 /nfs/dbraw/zinc/37/54/55/740375455.db2.gz SMQHBZKMJYEMQK-ZJUUUORDSA-N 0 0 359.239 2.955 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCc1nnn(CC(F)(F)F)n1 ZINC000799299731 740405174 /nfs/dbraw/zinc/40/51/74/740405174.db2.gz OSVXMERKSNYPNE-UHFFFAOYSA-N 0 0 354.361 2.928 20 10 FFCDRN CO[C@H]1CCCC[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000799365058 740412805 /nfs/dbraw/zinc/41/28/05/740412805.db2.gz RMHVUXPTDRAHFZ-ROUUACIJSA-N 0 0 363.527 2.997 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCNC(=O)C3)cc2Cl)C1 ZINC000800048436 740477968 /nfs/dbraw/zinc/47/79/68/740477968.db2.gz BCKDSPQFSMGUMZ-HIFRSBDPSA-N 0 0 363.889 2.719 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3nccnc3N)cc2Cl)C1 ZINC000800572229 740534688 /nfs/dbraw/zinc/53/46/88/740534688.db2.gz VVEJYCRBPRNSQI-LBPRGKRZSA-N 0 0 359.861 2.879 20 10 FFCDRN CC(C)(CNC(=O)NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000800999757 740576376 /nfs/dbraw/zinc/57/63/76/740576376.db2.gz HCKZVXOLQQAWAY-UHFFFAOYSA-N 0 0 359.392 2.911 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC[C@H]1OCC ZINC000802291915 740693213 /nfs/dbraw/zinc/69/32/13/740693213.db2.gz GHJWTCKTNIFGOF-SJLPKXTDSA-N 0 0 350.459 2.898 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000802778694 740730070 /nfs/dbraw/zinc/73/00/70/740730070.db2.gz IAMFYZGPRYEGAE-HNNXBMFYSA-N 0 0 355.312 2.509 20 10 FFCDRN CC(C)(C)OCC[C@H]1NC(=O)N(CCCSc2nccs2)C1=O ZINC000804168092 740851196 /nfs/dbraw/zinc/85/11/96/740851196.db2.gz WAXNSYDBNQXLGO-LLVKDONJSA-N 0 0 357.501 2.751 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cccc2c1OCO2 ZINC000804258758 740857343 /nfs/dbraw/zinc/85/73/43/740857343.db2.gz GOQIOJKVYMTXGA-UHFFFAOYSA-N 0 0 360.753 2.743 20 10 FFCDRN COC(=O)c1cc(C)nc(NCc2cccc(Br)c2O)n1 ZINC000804653758 740892927 /nfs/dbraw/zinc/89/29/27/740892927.db2.gz BLJVBYLQXNKJNB-UHFFFAOYSA-N 0 0 352.188 2.652 20 10 FFCDRN COc1ccc(O)c(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804736035 740901138 /nfs/dbraw/zinc/90/11/38/740901138.db2.gz LBTCHTKMQPEXPS-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)[C@@H]1COc2ccccc2O1 ZINC000804738314 740901517 /nfs/dbraw/zinc/90/15/17/740901517.db2.gz LLQXTLOAYDNWDZ-HNNXBMFYSA-N 0 0 364.195 2.611 20 10 FFCDRN CO[C@H](CNC(=O)NCc1cc(Br)ccc1O)C(F)(F)F ZINC000805112316 740940287 /nfs/dbraw/zinc/94/02/87/740940287.db2.gz JSCRTEHUIBMDGO-SNVBAGLBSA-N 0 0 371.153 2.531 20 10 FFCDRN C[C@@H](NC(=O)NCc1cc(Br)ccc1O)C1CCOCC1 ZINC000805204885 740949585 /nfs/dbraw/zinc/94/95/85/740949585.db2.gz NVDBLEKMBWEPDR-SNVBAGLBSA-N 0 0 357.248 2.769 20 10 FFCDRN C[C@H]1C[C@@H](CNC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000805252777 740954352 /nfs/dbraw/zinc/95/43/52/740954352.db2.gz KUXGKFYFFVLLOH-QWRGUYRKSA-N 0 0 357.248 2.769 20 10 FFCDRN C[C@H]1COCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000805821380 741014147 /nfs/dbraw/zinc/01/41/47/741014147.db2.gz 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741049920 /nfs/dbraw/zinc/04/99/20/741049920.db2.gz LWEYGHWFSQTIKX-UPJWGTAASA-N 0 0 355.529 2.682 20 10 FFCDRN CC(C)(C)n1cnc(NC(=O)NCc2cc(Br)ccc2O)n1 ZINC000806410012 741057968 /nfs/dbraw/zinc/05/79/68/741057968.db2.gz SYRNRTAMCJSEIN-UHFFFAOYSA-N 0 0 368.235 2.823 20 10 FFCDRN CCc1ccc(NC(=O)C(=O)NCc2cc(OC)ccc2O)cc1Cl ZINC000806896888 741093811 /nfs/dbraw/zinc/09/38/11/741093811.db2.gz BOFKNFVSTNQBKK-UHFFFAOYSA-N 0 0 362.813 2.872 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@@H](SC)C1 ZINC000807206085 741120128 /nfs/dbraw/zinc/12/01/28/741120128.db2.gz SHMYINBYSPWRJH-HZPDHXFCSA-N 0 0 364.511 2.921 20 10 FFCDRN Fc1cc(CNc2nccnc2OC(F)F)ccc1N1CCOCC1 ZINC000807929642 741172081 /nfs/dbraw/zinc/17/20/81/741172081.db2.gz LJHBXEHCQAWJBU-UHFFFAOYSA-N 0 0 354.332 2.666 20 10 FFCDRN CC(=O)C(=O)Cn1nc(-c2ccc(Br)cc2Cl)nc1C ZINC000808022528 741178700 /nfs/dbraw/zinc/17/87/00/741178700.db2.gz NAKUBUDCTWJRBQ-UHFFFAOYSA-N 0 0 356.607 2.828 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(F)ccc(OC)c1OC 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FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCc1nnc2n1CCOC2 ZINC000810813428 741452688 /nfs/dbraw/zinc/45/26/88/741452688.db2.gz UMDUYOIMSLHFLL-UHFFFAOYSA-N 0 0 358.423 2.634 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCS(=O)(=O)C(C)C ZINC000811554612 741536542 /nfs/dbraw/zinc/53/65/42/741536542.db2.gz INYYSPZWWGFYGI-UHFFFAOYSA-N 0 0 354.497 2.709 20 10 FFCDRN COC(=O)c1cc(/C=C2\C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cn1C ZINC000811688396 741548394 /nfs/dbraw/zinc/54/83/94/741548394.db2.gz PGOZRGVVXLREOK-KMKOMSMNSA-N 0 0 361.741 2.866 20 10 FFCDRN COc1ccc(O)c(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)c1 ZINC000811806407 741561439 /nfs/dbraw/zinc/56/14/39/741561439.db2.gz VMGCFZVIVMRVDM-UHFFFAOYSA-N 0 0 350.440 2.980 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CCCN3CC(F)(F)F)ccc21 ZINC000812488212 741624129 /nfs/dbraw/zinc/62/41/29/741624129.db2.gz UKGWIWWFGWPHQP-INIZCTEOSA-N 0 0 355.404 2.712 20 10 FFCDRN O=C(C[C@@H](O)Cc1ccccc1)NCc1cc(Br)ccc1O ZINC000813608503 741739350 /nfs/dbraw/zinc/73/93/50/741739350.db2.gz 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ZINC000816911894 742071540 /nfs/dbraw/zinc/07/15/40/742071540.db2.gz CJASAPILILDTLP-UHFFFAOYSA-N 0 0 362.183 2.667 20 10 FFCDRN CC[C@@H](CS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1)OC ZINC000817133761 742091684 /nfs/dbraw/zinc/09/16/84/742091684.db2.gz WMGGUUYNECQIED-SFHVURJKSA-N 0 0 354.516 2.767 20 10 FFCDRN CCOC(=O)CC1(S(=O)(=O)Oc2ccc3c(c2)c(C)c(C)n3C)CC1 ZINC000817151891 742097287 /nfs/dbraw/zinc/09/72/87/742097287.db2.gz FMTTVEQZBKRSOL-UHFFFAOYSA-N 0 0 365.451 2.990 20 10 FFCDRN Cc1cc(C(=O)N2CC3(C2)CNC(=O)O3)c(C)n1-c1ccc(Cl)cc1 ZINC000817681696 742196098 /nfs/dbraw/zinc/19/60/98/742196098.db2.gz INMOMINLTCQEQM-UHFFFAOYSA-N 0 0 359.813 2.682 20 10 FFCDRN COC(=O)[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)(C)C ZINC000817942230 742223129 /nfs/dbraw/zinc/22/31/29/742223129.db2.gz NBNDOEVDVRGSRR-OAHLLOKOSA-N 0 0 361.467 2.634 20 10 FFCDRN COC(=O)CC1(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CCC1 ZINC000817954287 742224116 /nfs/dbraw/zinc/22/41/16/742224116.db2.gz YDFBGTIIPQWYRV-UHFFFAOYSA-N 0 0 359.451 2.532 20 10 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CN(C)c1ccc(CNc2ccc(F)c(S(=O)(=O)N(C)C)c2)cc1 ZINC000842217851 747550639 /nfs/dbraw/zinc/55/06/39/747550639.db2.gz PIPYIASPZRWVEG-UHFFFAOYSA-N 0 0 351.447 2.754 20 10 FFCDRN CC[C@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](C)O ZINC000842232738 747552435 /nfs/dbraw/zinc/55/24/35/747552435.db2.gz KARPKROAPSFTFJ-IOASZLSFSA-N 0 0 356.413 2.780 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@H](CC(F)(F)F)C1=O ZINC000842264513 747560257 /nfs/dbraw/zinc/56/02/57/747560257.db2.gz JSMMIFQWWINHPK-BXUZGUMPSA-N 0 0 357.376 2.865 20 10 FFCDRN COCc1nc(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000842879397 747712569 /nfs/dbraw/zinc/71/25/69/747712569.db2.gz RTOSYCUOUOCCND-ZDUSSCGKSA-N 0 0 362.451 2.981 20 10 FFCDRN CSc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000843758346 747889557 /nfs/dbraw/zinc/88/95/57/747889557.db2.gz OTPRBNPVRYIDEP-UHFFFAOYSA-N 0 0 357.479 2.912 20 10 FFCDRN O=C1/C(=C/c2cccc3c2CCC3)SC(=S)N1CCN1CCOCC1 ZINC000844268900 747994494 /nfs/dbraw/zinc/99/44/94/747994494.db2.gz 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/nfs/dbraw/zinc/41/87/22/748418722.db2.gz MIDLHYBVVGKHJP-LBPRGKRZSA-N 0 0 362.451 2.896 20 10 FFCDRN COc1ccc(Cl)c(N2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000846292451 748452012 /nfs/dbraw/zinc/45/20/12/748452012.db2.gz BVQXCUUUOUIEBR-UHFFFAOYSA-N 0 0 362.813 2.722 20 10 FFCDRN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846472059 748486954 /nfs/dbraw/zinc/48/69/54/748486954.db2.gz GJBYTTCFYZHKAW-GWCFXTLKSA-N 0 0 356.875 2.609 20 10 FFCDRN CCc1cccc(CNCc2nn(C)cc2I)c1O ZINC000848914309 749034154 /nfs/dbraw/zinc/03/41/54/749034154.db2.gz GREIRASFZTXGOY-UHFFFAOYSA-N 0 0 371.222 2.583 20 10 FFCDRN COc1cc(Cl)cc(C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)c1O ZINC000848920367 749034824 /nfs/dbraw/zinc/03/48/24/749034824.db2.gz FNGDSXHQERNZSI-INIZCTEOSA-N 0 0 352.862 2.791 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cc(F)ccc3C)C2)cc1 ZINC000849416827 749143555 /nfs/dbraw/zinc/14/35/55/749143555.db2.gz XGSRBAIMHLPNNR-OAHLLOKOSA-N 0 0 364.442 2.700 20 10 FFCDRN COC(=O)c1nc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000850516218 749379459 /nfs/dbraw/zinc/37/94/59/749379459.db2.gz SWDMSYARNGSJBL-VIFPVBQESA-N 0 0 365.773 2.986 20 10 FFCDRN Cc1cc(Br)cc([C@@H](C)NCc2nc(C(N)=O)cs2)c1O ZINC000850541186 749384171 /nfs/dbraw/zinc/38/41/71/749384171.db2.gz SRXXGJVDEAHSPJ-MRVPVSSYSA-N 0 0 370.272 2.869 20 10 FFCDRN C[C@H]([NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2)c1cc(F)cc(F)c1[O-] ZINC000850557560 749387555 /nfs/dbraw/zinc/38/75/55/749387555.db2.gz QXSPTCQCDYDSRR-JCURWCKSSA-N 0 0 352.425 2.964 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(F)cc2OC)c1 ZINC000851764701 749666884 /nfs/dbraw/zinc/66/68/84/749666884.db2.gz IXINTSORNRHIHI-SNVBAGLBSA-N 0 0 355.387 2.588 20 10 FFCDRN O=S(=O)(CC1CCCCC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851844361 749700922 /nfs/dbraw/zinc/70/09/22/749700922.db2.gz VLHNRFKDYFHHNX-UHFFFAOYSA-N 0 0 366.527 2.647 20 10 FFCDRN C[C@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(N(C)C)cc1 ZINC000852261042 749817693 /nfs/dbraw/zinc/81/76/93/749817693.db2.gz JIXTYTFUAROCTE-MJEQTWJJSA-N 0 0 353.413 2.927 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCCC1(F)F ZINC000852339968 749839299 /nfs/dbraw/zinc/83/92/99/749839299.db2.gz YVJQABYYMQNXMP-MRXNPFEDSA-N 0 0 353.413 2.635 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3C(C)(C)C3(F)F)C2)cc1 ZINC000852450643 749862563 /nfs/dbraw/zinc/86/25/63/749862563.db2.gz QYQZKXUNZGIJCY-IUODEOHRSA-N 0 0 353.413 2.864 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@]23OCCC[C@H]2C3(F)F)cc1F ZINC000852572684 749893465 /nfs/dbraw/zinc/89/34/65/749893465.db2.gz KMXMPIPDEXDIOO-ZBFHGGJFSA-N 0 0 357.376 2.505 20 10 FFCDRN CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000854257301 750271133 /nfs/dbraw/zinc/27/11/33/750271133.db2.gz MSCCASGNVGJRAL-UHFFFAOYSA-N 0 0 354.453 2.783 20 10 FFCDRN CCS(=O)(=O)CCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000854944977 750394521 /nfs/dbraw/zinc/39/45/21/750394521.db2.gz FILMNFIIVAUUNC-UHFFFAOYSA-N 0 0 362.495 2.578 20 10 FFCDRN 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CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H]1CCC2(CCC2)O1 ZINC000895495018 970671881 /nfs/dbraw/zinc/67/18/81/970671881.db2.gz MNZVBAFACCTCTK-LJQANCHMSA-N 0 0 358.482 2.973 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(Cc2ccncc2)CC1 ZINC000895528014 970703505 /nfs/dbraw/zinc/70/35/05/970703505.db2.gz ROMLLKZBACMSIG-UHFFFAOYSA-N 0 0 369.446 2.666 20 10 FFCDRN Cc1ccc(CN2CC[C@H](NC(=O)N3Cc4cccc(O)c4C3)C2=O)cc1 ZINC000875529523 1014040428 /nfs/dbraw/zinc/04/04/28/1014040428.db2.gz MRNYLXDNFXMBIC-SFHVURJKSA-N 0 0 365.433 2.527 20 10 FFCDRN CCCC(=O)N1CC[C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C1 ZINC000975479625 972738774 /nfs/dbraw/zinc/73/87/74/972738774.db2.gz WOIVFGRDTICKOV-BBRMVZONSA-N 0 0 371.441 2.712 20 10 FFCDRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)N2Cc3cccc(O)c3C2)[C@@H]1n1cccn1 ZINC000875647473 1014057846 /nfs/dbraw/zinc/05/78/46/1014057846.db2.gz IPAAJPWEUGRWPD-JQHSSLGASA-N 0 0 370.453 2.811 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCCC[C@]12CC(=O)N(C1CCCC1)C2 ZINC001271434041 972993546 /nfs/dbraw/zinc/99/35/46/972993546.db2.gz QXFYEJKLEQQSJK-HXUWFJFHSA-N 0 0 358.438 2.638 20 10 FFCDRN O=C(N[C@H]1CCN(C2CCCCC2)C1=O)c1cc2cc(O)c(O)cc2s1 ZINC000897021338 973168870 /nfs/dbraw/zinc/16/88/70/973168870.db2.gz BSGXHQYIGCBYEZ-ZDUSSCGKSA-N 0 0 374.462 2.976 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1c2ccccc2C(=O)OC12CCC2 ZINC000897067116 973216567 /nfs/dbraw/zinc/21/65/67/973216567.db2.gz FXXYAWDJXFULMS-SFHVURJKSA-N 0 0 367.401 2.633 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C2CC2)cc1 ZINC000875932862 1014097148 /nfs/dbraw/zinc/09/71/48/1014097148.db2.gz JLYVONOAVTZJNQ-IBGZPJMESA-N 0 0 370.497 2.580 20 10 FFCDRN COc1c(O)c([C@H]2NC(C)(C)C(=O)N2c2ccccc2)ccc1[N+](=O)[O-] ZINC000840824716 973383546 /nfs/dbraw/zinc/38/35/46/973383546.db2.gz NKVDRLFYLAAVAI-INIZCTEOSA-N 0 0 357.366 2.723 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccnc(C2CC2)c1 ZINC000783580878 973753655 /nfs/dbraw/zinc/75/36/55/973753655.db2.gz NPGDAGSVEJWGMY-UHFFFAOYSA-N 0 0 369.440 2.989 20 10 FFCDRN Cn1ccc2cc(-c3noc([C@H](O)Cc4ccc(O)c(O)c4)n3)ccc21 ZINC001211664953 973995418 /nfs/dbraw/zinc/99/54/18/973995418.db2.gz CFIUMSDWRNGNNB-QGZVFWFLSA-N 0 0 351.362 2.916 20 10 FFCDRN Oc1ccc(C[C@H](O)c2nc(-c3cc(C(F)(F)F)ccn3)no2)cc1O ZINC001211668157 974264235 /nfs/dbraw/zinc/26/42/35/974264235.db2.gz KGHIBZKZIYUHMA-ZDUSSCGKSA-N 0 0 367.283 2.838 20 10 FFCDRN CN(CCC(C)(C)C)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000825858719 1014193170 /nfs/dbraw/zinc/19/31/70/1014193170.db2.gz MCDXWWUNSGRIEJ-KRWDZBQOSA-N 0 0 374.529 2.966 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CN2CCCCC2=O)cc1 ZINC000728837418 975162211 /nfs/dbraw/zinc/16/22/11/975162211.db2.gz SJSJTXLIAVPZNJ-UHFFFAOYSA-N 0 0 371.403 2.656 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)c2cnccn2)CCCC1 ZINC000649985928 1014338924 /nfs/dbraw/zinc/33/89/24/1014338924.db2.gz OSHYFMAYJMUJQX-UHFFFAOYSA-N 0 0 350.422 2.982 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCOC12CCOCC2 ZINC000898802743 976698052 /nfs/dbraw/zinc/69/80/52/976698052.db2.gz YCHVDMGMWKSYLF-GOSISDBHSA-N 0 0 361.486 2.622 20 10 FFCDRN Cc1cc(C(=O)N[C@H](CO)c2cncn2C)c(C)n1-c1ccccc1C ZINC000898882608 976752598 /nfs/dbraw/zinc/75/25/98/976752598.db2.gz YQVZMUAJFJGIOF-QGZVFWFLSA-N 0 0 352.438 2.599 20 10 FFCDRN CO[C@@H]1CCN(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000899100591 976926880 /nfs/dbraw/zinc/92/68/80/976926880.db2.gz AUAXPQZHJVWCHT-KFKAGJAMSA-N 0 0 362.518 2.564 20 10 FFCDRN Cc1cccc([C@@H]2CCCN2C(=O)C(=O)NCCc2ccc(N)cc2)c1C ZINC000842241941 976979087 /nfs/dbraw/zinc/97/90/87/976979087.db2.gz MEFOWNVHJKCXNQ-FQEVSTJZSA-N 0 0 365.477 2.908 20 10 FFCDRN CCCN(C(=O)C(=O)NCCc1ccc(N)cc1)[C@H]1CCc2ccccc21 ZINC000842241624 976981552 /nfs/dbraw/zinc/98/15/52/976981552.db2.gz GSLDIPZYCGJXKN-FQEVSTJZSA-N 0 0 365.477 2.854 20 10 FFCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)[C@H]3[C@@H]4COC[C@@H]43)cc2)cc1 ZINC001142643778 977301672 /nfs/dbraw/zinc/30/16/72/977301672.db2.gz MPZNRWRCQREMID-FVQHAEBGSA-N 0 0 352.394 2.744 20 10 FFCDRN Nc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000876775864 1014387506 /nfs/dbraw/zinc/38/75/06/1014387506.db2.gz BLBXVSRWSZXXSJ-CYBMUJFWSA-N 0 0 362.380 2.664 20 10 FFCDRN COc1ccc(OC)c(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000728943121 977762992 /nfs/dbraw/zinc/76/29/92/977762992.db2.gz HOGCEALGINERLY-GFCCVEGCSA-N 0 0 360.410 2.978 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnn(C(C)(C)C)c1 ZINC000178791451 977946296 /nfs/dbraw/zinc/94/62/96/977946296.db2.gz VONURSLHCIHMLQ-UHFFFAOYSA-N 0 0 371.485 2.691 20 10 FFCDRN COc1ccc2c(c1)C[C@@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)CO2 ZINC000728978864 978138118 /nfs/dbraw/zinc/13/81/18/978138118.db2.gz VOADFTOLPMRCRV-TZMCWYRMSA-N 0 0 357.406 2.838 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ncn(Cc3ccccc3)n2)c1 ZINC000729037840 978164304 /nfs/dbraw/zinc/16/43/04/978164304.db2.gz AHSMCKFOPRZBRY-ZDUSSCGKSA-N 0 0 367.409 2.923 20 10 FFCDRN COCC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000729036640 978164402 /nfs/dbraw/zinc/16/44/02/978164402.db2.gz FNKVASIUQZGWFS-LBPRGKRZSA-N 0 0 373.409 2.868 20 10 FFCDRN CCOC(=O)C1CCC(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000729048723 978167124 /nfs/dbraw/zinc/16/71/24/978167124.db2.gz JKMNSDDQIDNQNP-HSBZDZAISA-N 0 0 364.442 2.883 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3scnc3c2)c1 ZINC000729062104 978168361 /nfs/dbraw/zinc/16/83/61/978168361.db2.gz NMBOATFQENKDHE-SNVBAGLBSA-N 0 0 371.418 2.826 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cccc3c2ccn3C)c1 ZINC000729061922 978168449 /nfs/dbraw/zinc/16/84/49/978168449.db2.gz LZSHJGVKLIYQQJ-GFCCVEGCSA-N 0 0 367.405 2.708 20 10 FFCDRN CCOc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)c(C)c1 ZINC000729061460 978168673 /nfs/dbraw/zinc/16/86/73/978168673.db2.gz FGWTZIXFTPLJHD-CYBMUJFWSA-N 0 0 372.421 2.924 20 10 FFCDRN CCOc1cccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000729061498 978168687 /nfs/dbraw/zinc/16/86/87/978168687.db2.gz GEMCLKJNUWAYKH-LBPRGKRZSA-N 0 0 358.394 2.615 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000729225455 978210313 /nfs/dbraw/zinc/21/03/13/978210313.db2.gz MSVVUYSRSRHYLO-QWHCGFSZSA-N 0 0 373.457 2.840 20 10 FFCDRN C[C@@H](NC(=O)/C=C\c1cncc(F)c1)c1ccc(N2CCOCC2)cc1 ZINC000729344547 978248286 /nfs/dbraw/zinc/24/82/86/978248286.db2.gz XDKILPZBYURJPJ-SJXOGVDTSA-N 0 0 355.413 2.948 20 10 FFCDRN CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)c1ccc(N)cc1 ZINC000877081310 1014471012 /nfs/dbraw/zinc/47/10/12/1014471012.db2.gz YAMWSPJEXFJJKJ-HNNXBMFYSA-N 0 0 355.413 2.923 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000178879210 978271613 /nfs/dbraw/zinc/27/16/13/978271613.db2.gz BOTBVYDHCCTKFS-UHFFFAOYSA-N 0 0 355.438 2.576 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@H](OC)C(C)(C)C)CC2)cc1F ZINC000126403728 1014517227 /nfs/dbraw/zinc/51/72/27/1014517227.db2.gz FNESBYSCLBWALQ-KRWDZBQOSA-N 0 0 367.465 2.727 20 10 FFCDRN C[C@H](NC(=O)N1CCOC[C@@H]1C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000825952870 1014542180 /nfs/dbraw/zinc/54/21/80/1014542180.db2.gz NQNBYPGYNXSRGR-OXJNMPFZSA-N 0 0 373.497 2.795 20 10 FFCDRN CCO[C@H]1COCC[C@H]1NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000760134670 979416479 /nfs/dbraw/zinc/41/64/79/979416479.db2.gz SKPRDPWNHZEOQU-MJGOQNOKSA-N 0 0 374.437 2.891 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccnc2N2CCOCC2)c1 ZINC000729034932 980218255 /nfs/dbraw/zinc/21/82/55/980218255.db2.gz UNKICCBLNADCNW-ZDUSSCGKSA-N 0 0 372.425 2.515 20 10 FFCDRN COc1ccc(N2CC[C@H](C[NH2+][C@H]3C[C@@H](NC(=O)[O-])C34CCC4)C2)cc1 ZINC000904249364 980222493 /nfs/dbraw/zinc/22/24/93/980222493.db2.gz ODPRLCGOOJXOLG-FHLIZLRMSA-N 0 0 359.470 2.690 20 10 FFCDRN COc1cc2c(cc1NC[C@H](O)C[C@]1(O)CCOC1)oc1ccccc12 ZINC000905300801 980420798 /nfs/dbraw/zinc/42/07/98/980420798.db2.gz LSYJBCHMYNOIBM-ZUOKHONESA-N 0 0 357.406 2.909 20 10 FFCDRN COC(=O)[C@](C)(NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1 ZINC000877673518 1014670058 /nfs/dbraw/zinc/67/00/58/1014670058.db2.gz DCLJFXDZRTVUNS-OAQYLSRUSA-N 0 0 372.440 2.840 20 10 FFCDRN CC[C@H]1CCc2[nH]c(=O)c(C(=O)NCCc3ccc(O)c(O)c3)cc2C1 ZINC001545669237 980622206 /nfs/dbraw/zinc/62/22/06/980622206.db2.gz QGFIOUSJKDJUDM-LBPRGKRZSA-N 0 0 356.422 2.686 20 10 FFCDRN Nc1c(F)cc(Br)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC001545669253 980625339 /nfs/dbraw/zinc/62/53/39/980625339.db2.gz RIONHXZIVITCLP-UHFFFAOYSA-N 0 0 369.190 2.554 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1coc2c1C(=O)NCCC2 ZINC000906435119 980650479 /nfs/dbraw/zinc/65/04/79/980650479.db2.gz VBMABGSKQOAOTN-UHFFFAOYSA-N 0 0 367.449 2.876 20 10 FFCDRN Cc1cc(C)c(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(=O)[nH]1 ZINC000907105314 981196164 /nfs/dbraw/zinc/19/61/64/981196164.db2.gz RYLHALKPBQEWQH-QGZVFWFLSA-N 0 0 370.449 2.860 20 10 FFCDRN COC(=O)c1ccc(CCNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000031728824 981857148 /nfs/dbraw/zinc/85/71/48/981857148.db2.gz OOYDMFMPMDBMFM-UHFFFAOYSA-N 0 0 355.438 2.581 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cc2c([nH]c1=O)CCOC2 ZINC000910558257 981996412 /nfs/dbraw/zinc/99/64/12/981996412.db2.gz 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Cc1cnn(-c2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)c1 ZINC000183438446 992447000 /nfs/dbraw/zinc/44/70/00/992447000.db2.gz PHBZYLFWIGJNGW-CQSZACIVSA-N 0 0 351.406 2.953 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nc(C2CCCC2)no1 ZINC000183453691 992448356 /nfs/dbraw/zinc/44/83/56/992448356.db2.gz XIMOWQOPUHCECJ-LBPRGKRZSA-N 0 0 359.426 2.818 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)N2c3ccccc3C[C@H]2C)cc1 ZINC000183811762 992564129 /nfs/dbraw/zinc/56/41/29/992564129.db2.gz HOUMYSPGKKJWKN-OAHLLOKOSA-N 0 0 368.433 2.652 20 10 FFCDRN Cc1cc(C(=O)CN2CCN3C(=O)OC[C@@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000763713424 992888521 /nfs/dbraw/zinc/88/85/21/992888521.db2.gz GUNZOKPCHXKOJS-KRWDZBQOSA-N 0 0 371.412 2.552 20 10 FFCDRN O=C(NCCC(=O)N(Cc1ccco1)Cc1ccccc1O)c1ccco1 ZINC000072622154 993220471 /nfs/dbraw/zinc/22/04/71/993220471.db2.gz LQCSTSOVMPRSOP-UHFFFAOYSA-N 0 0 368.389 2.927 20 10 FFCDRN CCOCC(C)(C)CNC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000808360072 994106298 /nfs/dbraw/zinc/10/62/98/994106298.db2.gz 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COC(=O)Nc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000809706229 994587318 /nfs/dbraw/zinc/58/73/18/994587318.db2.gz QQEZORXLYCWAAF-UHFFFAOYSA-N 0 0 361.354 2.777 20 10 FFCDRN Cc1cccc(CN2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1O ZINC000809769637 994596540 /nfs/dbraw/zinc/59/65/40/994596540.db2.gz IVCYFDSUMLGSMP-SJORKVTESA-N 0 0 352.434 2.710 20 10 FFCDRN COc1c(O)c(CN2C[C@H](C)C(=O)N(C)c3ccccc32)ccc1[N+](=O)[O-] ZINC000809786363 994613121 /nfs/dbraw/zinc/61/31/21/994613121.db2.gz ZGJRKLOGMZEVAD-LBPRGKRZSA-N 0 0 371.393 2.928 20 10 FFCDRN C[C@H]([NH2+]Cc1c2cc(F)ccc2n(C)c1C(=O)[O-])c1nnc2ccccn21 ZINC001593286151 994642885 /nfs/dbraw/zinc/64/28/85/994642885.db2.gz OQQRUKDSKKNOAI-NSHDSACASA-N 0 0 367.384 2.909 20 10 FFCDRN O=C(Cn1nnn(C2CC2)c1=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000809975966 994656491 /nfs/dbraw/zinc/65/64/91/994656491.db2.gz DBCXEANNTSBTLN-UHFFFAOYSA-N 0 0 363.381 2.829 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1OCC(=O)[O-] ZINC001593298809 994717100 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PIAPJUFKKPUDHG-UHFFFAOYSA-N 0 0 355.438 2.542 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2c3c(nn2C)CCCC3)c1 ZINC000812928465 995579544 /nfs/dbraw/zinc/57/95/44/995579544.db2.gz VZYLPDCOUATJMD-LBPRGKRZSA-N 0 0 358.442 2.574 20 10 FFCDRN COC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000803569602 1015962041 /nfs/dbraw/zinc/96/20/41/1015962041.db2.gz OIPIUPKELJACLW-CFRMROPGSA-N 0 0 355.390 2.701 20 10 FFCDRN COCCn1c(C)c(C)c2cc(-c3nc([C@@H](C)NC(N)=O)no3)ccc21 ZINC000813341376 995670994 /nfs/dbraw/zinc/67/09/94/995670994.db2.gz DKYXFQPQACNECU-LLVKDONJSA-N 0 0 357.414 2.684 20 10 FFCDRN Cc1cc(F)ccc1C[C@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000826706214 1015976484 /nfs/dbraw/zinc/97/64/84/1015976484.db2.gz GWBAVIVGDWHWHZ-HNNXBMFYSA-N 0 0 371.456 2.564 20 10 FFCDRN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)CC2 ZINC000803660890 1016038450 /nfs/dbraw/zinc/03/84/50/1016038450.db2.gz IFHDSLFGXIUWRB-SFHVURJKSA-N 0 0 369.440 2.620 20 10 FFCDRN C[C@@H]1CCC[C@H](CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H]1C ZINC000803662156 1016038920 /nfs/dbraw/zinc/03/89/20/1016038920.db2.gz HTZZMAWZMGYAFL-IJEWVQPXSA-N 0 0 363.477 2.696 20 10 FFCDRN Cc1ccc(CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C2CC2)o1 ZINC000803662996 1016039563 /nfs/dbraw/zinc/03/95/63/1016039563.db2.gz QGYCTWRCQMNRQQ-UHFFFAOYSA-N 0 0 373.428 2.601 20 10 FFCDRN CC[C@@H](C)[C@H](C)N(C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC000803663235 1016040177 /nfs/dbraw/zinc/04/01/77/1016040177.db2.gz LLTYROPIUALMPX-KGLIPLIRSA-N 0 0 363.477 2.934 20 10 FFCDRN C[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)[C@H]2CCCC[C@@H]12 ZINC000803686971 1016071163 /nfs/dbraw/zinc/07/11/63/1016071163.db2.gz SDYQHMHHQSFCGM-BPAFIMBUSA-N 0 0 369.509 2.722 20 10 FFCDRN C[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000803686490 1016071850 /nfs/dbraw/zinc/07/18/50/1016071850.db2.gz LNSGYKYORAHLAE-YJBOKZPZSA-N 0 0 357.498 2.770 20 10 FFCDRN CN(Cc1c(C(F)(F)F)cnn1C)Cc1ccc(N2CCOCC2)cc1 ZINC000824535304 996976620 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CCN(CC)c1ccc(CN(C)C(=O)c2ccc3[nH]c(=O)[nH]c3n2)cc1 ZINC000842225425 1030650059 /nfs/dbraw/zinc/65/00/59/1030650059.db2.gz VTXJJZOCUCASKR-UHFFFAOYSA-N 0 0 353.426 2.782 20 10 FFCDRN CCc1nc(C)c(CN2CCN(c3ccc(OCCOC)cc3)CC2)[nH]1 ZINC001203247448 1030650924 /nfs/dbraw/zinc/65/09/24/1030650924.db2.gz FGJDCTRCUKVPEE-UHFFFAOYSA-N 0 0 358.486 2.628 20 10 FFCDRN CC(C)(C)OC(=O)N1CCCC[C@@H]1C1(O)CN(Cc2ccccc2O)C1 ZINC001203560445 1030766055 /nfs/dbraw/zinc/76/60/55/1030766055.db2.gz ABJDOPKURDJVLE-QGZVFWFLSA-N 0 0 362.470 2.729 20 10 FFCDRN CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)Cc1ccccc1O ZINC001203558297 1030767002 /nfs/dbraw/zinc/76/70/02/1030767002.db2.gz CEFGMDZOVIRFJE-UHFFFAOYSA-N 0 0 351.443 2.878 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1O ZINC000784719303 1030773540 /nfs/dbraw/zinc/77/35/40/1030773540.db2.gz XAJVYNCSHGYLRT-UHFFFAOYSA-N 0 0 365.389 2.651 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)C2CC2)cc1 ZINC000842516435 1030774402 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COc1ccc(N2CC[C@@H](COC(=O)[C@H]3CCc4n[nH]cc4C3)C2)cc1 ZINC000842874771 1031006671 /nfs/dbraw/zinc/00/66/71/1031006671.db2.gz HOARSCLPOHKPEA-CABCVRRESA-N 0 0 355.438 2.593 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3CCc4cnn(C)c4C3)C2)cc1 ZINC000842876763 1031009650 /nfs/dbraw/zinc/00/96/50/1031009650.db2.gz WRNRLBLFGJZVCJ-JKSUJKDBSA-N 0 0 369.465 2.603 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc4c(c3)nnn4C)C2)cc1 ZINC000842877423 1031010079 /nfs/dbraw/zinc/01/00/79/1031010079.db2.gz DGJIAOYCNPJSNP-AWEZNQCLSA-N 0 0 366.421 2.660 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](COC)NC(=O)OC(C)(C)C ZINC000797192074 1031026223 /nfs/dbraw/zinc/02/62/23/1031026223.db2.gz ISTFDOMIGZLXQU-HNNXBMFYSA-N 0 0 366.458 2.671 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CS(=O)(=O)c1ccc(C)cc1 ZINC001142997892 1031135292 /nfs/dbraw/zinc/13/52/92/1031135292.db2.gz DBUQKDYRKBFKEK-UHFFFAOYSA-N 0 0 374.506 2.883 20 10 FFCDRN COCCOc1ccc(N2CC[NH+](Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC001204158741 1031138516 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FFCDRN COCCCN(c1cccc(CCN2CCOCC2)c1)c1ncccc1N ZINC001204333458 1031232091 /nfs/dbraw/zinc/23/20/91/1031232091.db2.gz PFYOIEXIVTYDKC-UHFFFAOYSA-N 0 0 370.497 2.713 20 10 FFCDRN COc1cc(CN2CCN(c3nc4ccccc4o3)CC2)cc(O)c1O ZINC001204341875 1031236951 /nfs/dbraw/zinc/23/69/51/1031236951.db2.gz HBPVVNWOMVWOCE-UHFFFAOYSA-N 0 0 355.394 2.570 20 10 FFCDRN COc1cc(CN2CCc3c(cnn3-c3ccccc3)C2)cc(O)c1O ZINC001204344896 1031240233 /nfs/dbraw/zinc/24/02/33/1031240233.db2.gz KRTDZISEJXTJJZ-UHFFFAOYSA-N 0 0 351.406 2.850 20 10 FFCDRN COc1cccc(OC2CCN(Cc3cc(O)c(O)c(OC)c3)CC2)n1 ZINC001204350289 1031247615 /nfs/dbraw/zinc/24/76/15/1031247615.db2.gz FUMUCHMECPWFPQ-UHFFFAOYSA-N 0 0 360.410 2.553 20 10 FFCDRN COc1ccc([C@@H](C)NC(=O)Cc2noc(Cc3ccc(N)cc3)n2)cc1 ZINC000843225224 1031256857 /nfs/dbraw/zinc/25/68/57/1031256857.db2.gz ZWGHFUQKXJSKLV-CYBMUJFWSA-N 0 0 366.421 2.671 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCCC[C@H]2C2CCC2)cc1 ZINC000843257359 1031273423 /nfs/dbraw/zinc/27/34/23/1031273423.db2.gz PBTLSDHUPYRTBC-IBGZPJMESA-N 0 0 357.498 2.892 20 10 FFCDRN COc1ccccc1CCNC(=O)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000798002127 1031280487 /nfs/dbraw/zinc/28/04/87/1031280487.db2.gz YDOOHTYUOCQTDJ-GFCCVEGCSA-N 0 0 364.392 2.689 20 10 FFCDRN CC[C@H](C)C[C@H]1NC(=O)N(C[C@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000843307990 1031302557 /nfs/dbraw/zinc/30/25/57/1031302557.db2.gz CBBADLZWNZHMGU-RLFYNMQTSA-N 0 0 359.470 2.878 20 10 FFCDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2cccc(C)c2O)cc1 ZINC000798085296 1031304731 /nfs/dbraw/zinc/30/47/31/1031304731.db2.gz NUDRXFSLWJRYEU-CQSZACIVSA-N 0 0 356.422 2.994 20 10 FFCDRN COc1cc(O)c(CNc2cnn(CC(=O)OC(C)(C)C)c2)cc1OC ZINC000843412747 1031390411 /nfs/dbraw/zinc/39/04/11/1031390411.db2.gz UWJHMMGYAXARPC-UHFFFAOYSA-N 0 0 363.414 2.560 20 10 FFCDRN Cc1cc(N(C)C)ccc1CN[C@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000843432561 1031400829 /nfs/dbraw/zinc/40/08/29/1031400829.db2.gz NNYBDAIDBNMFRC-SFHVURJKSA-N 0 0 358.486 2.967 20 10 FFCDRN Cn1ncc2c1C[C@H](C(=O)Nc1c(-c3ccccn3)nc3ccccn31)CC2 ZINC000798464003 1031422858 /nfs/dbraw/zinc/42/28/58/1031422858.db2.gz FRGKPOCSFKICCS-CQSZACIVSA-N 0 0 372.432 2.873 20 10 FFCDRN NC(=O)Cc1cccc(C(=O)c2ccccc2)c1Nc1cnc2ccnn2c1 ZINC001204814006 1031445916 /nfs/dbraw/zinc/44/59/16/1031445916.db2.gz NNZIPDVCANXBGF-UHFFFAOYSA-N 0 0 371.400 2.732 20 10 FFCDRN Cc1cc(C(=O)COC(=O)c2cnnn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000798793596 1031544740 /nfs/dbraw/zinc/54/47/40/1031544740.db2.gz IMSJEUZNTNGKDM-UHFFFAOYSA-N 0 0 366.421 2.879 20 10 FFCDRN NC(=O)[C@@H](NCc1ccc(Br)cc1O)c1ccc(F)cc1 ZINC001205262467 1031635933 /nfs/dbraw/zinc/63/59/33/1031635933.db2.gz URLJDNPYKXEFCW-AWEZNQCLSA-N 0 0 353.191 2.610 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(-c2noc([C@H](C(=O)[O-])C3C[NH2+]C3)n2)cc1 ZINC001205272634 1031643734 /nfs/dbraw/zinc/64/37/34/1031643734.db2.gz PZXZDBVJTAKBCI-MRXNPFEDSA-N 0 0 352.394 2.532 20 10 FFCDRN Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCN1 ZINC001150373790 1031706689 /nfs/dbraw/zinc/70/66/89/1031706689.db2.gz UNNIUEGLOFVLSS-KRWDZBQOSA-N 0 0 351.410 2.944 20 10 FFCDRN O=C(CSc1nccn1Cc1ccccc1)NCc1ccc(O)c(O)c1 ZINC001150378104 1031707771 /nfs/dbraw/zinc/70/77/71/1031707771.db2.gz ONFZBTYUWBCTRS-UHFFFAOYSA-N 0 0 369.446 2.751 20 10 FFCDRN COc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)n(C)n2)c1O ZINC001150542765 1031736071 /nfs/dbraw/zinc/73/60/71/1031736071.db2.gz DSSKSDXGQPVEPM-UHFFFAOYSA-N 0 0 355.369 2.870 20 10 FFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1ccc2nncn2c1 ZINC001151675108 1032008168 /nfs/dbraw/zinc/00/81/68/1032008168.db2.gz CTZRYXVGLGLKIC-UHFFFAOYSA-N 0 0 353.769 2.567 20 10 FFCDRN COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H](C)c2ccccc2O)CC1=O ZINC001151886219 1032056167 /nfs/dbraw/zinc/05/61/67/1032056167.db2.gz ZQVGSWLMKGFECK-HUUCEWRRSA-N 0 0 368.433 2.940 20 10 FFCDRN CC[C@H](NC(=O)N(C)CCN(C)c1ccc(OC)cc1)c1noc(C)n1 ZINC001223166650 1033316094 /nfs/dbraw/zinc/31/60/94/1033316094.db2.gz UVOHINOCWBLOPV-INIZCTEOSA-N 0 0 361.446 2.616 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCN(C)C[C@H]2Cc2ccccc2)cc1 ZINC001223195986 1033329372 /nfs/dbraw/zinc/32/93/72/1033329372.db2.gz BABVBMWTJJEIJP-OAQYLSRUSA-N 0 0 366.509 2.821 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(OC2CC2)cc1 ZINC000829774932 1033329843 /nfs/dbraw/zinc/32/98/43/1033329843.db2.gz KMVVRBOOSJBPCE-UHFFFAOYSA-N 0 0 374.462 2.882 20 10 FFCDRN C[NH2+][C@@H](CC(C)C)C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001218920567 1033409721 /nfs/dbraw/zinc/40/97/21/1033409721.db2.gz XBWQUUDAFLCQIW-KRWDZBQOSA-N 0 0 366.417 2.740 20 10 FFCDRN Cc1cc(CC(=O)NC[C@@H](O)C2CCOCC2)c(C)n1-c1ccccc1 ZINC000830256544 1033538755 /nfs/dbraw/zinc/53/87/55/1033538755.db2.gz XKFSNXUBNCKVFK-HXUWFJFHSA-N 0 0 356.466 2.540 20 10 FFCDRN Cc1cncc(CCNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1 ZINC001219191861 1033548093 /nfs/dbraw/zinc/54/80/93/1033548093.db2.gz UNPWSPJZXYCNSH-UHFFFAOYSA-N 0 0 373.420 2.859 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000830297730 1033556296 /nfs/dbraw/zinc/55/62/96/1033556296.db2.gz ITWSWKVKWIQDHF-FQEVSTJZSA-N 0 0 374.506 2.876 20 10 FFCDRN COCCO[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1CC1CC1 ZINC000830482639 1033631771 /nfs/dbraw/zinc/63/17/71/1033631771.db2.gz VNSDNEWOJNRSSY-AWEZNQCLSA-N 0 0 360.458 2.754 20 10 FFCDRN O=C(Nc1ccc(O[C@@H]2CCNCC2(F)F)cc1)c1cccc(O)c1O ZINC001219461075 1033656428 /nfs/dbraw/zinc/65/64/28/1033656428.db2.gz FXWCRVVRQCSESU-OAHLLOKOSA-N 0 0 364.348 2.726 20 10 FFCDRN CO[C@](C)(C(=O)NCc1c(O)ccc2c1CCCC2)C(=O)OC(C)(C)C ZINC000830559036 1033673984 /nfs/dbraw/zinc/67/39/84/1033673984.db2.gz HFYGKQANRUSAJO-HXUWFJFHSA-N 0 0 363.454 2.634 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccnc(N(C)C)c3)C2)cc1 ZINC001219713439 1033780868 /nfs/dbraw/zinc/78/08/68/1033780868.db2.gz SMSASNBDHNBQKQ-HNNXBMFYSA-N 0 0 355.442 2.557 20 10 FFCDRN CC(C)C(=O)NCCCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001224230594 1033785522 /nfs/dbraw/zinc/78/55/22/1033785522.db2.gz WGUBKJFXIUZSQV-UHFFFAOYSA-N 0 0 360.502 2.591 20 10 FFCDRN O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2[N@H+](Cc2cccc(F)c2[O-])C1 ZINC001138125372 1033804306 /nfs/dbraw/zinc/80/43/06/1033804306.db2.gz OZMPVHHHXKULOT-ZTFGCOKTSA-N 0 0 371.412 2.544 20 10 FFCDRN CCn1nnc2c1CCN(Cc1c(C)n(C)c3ccccc31)[C@@H]2COC ZINC001138253974 1034021763 /nfs/dbraw/zinc/02/17/63/1034021763.db2.gz MMWKFFWGCAOQDU-LJQANCHMSA-N 0 0 353.470 2.844 20 10 FFCDRN COC(=O)Cn1ncc2ccc(NC(=O)N[C@H](C)c3ccccc3O)cc21 ZINC001220202447 1034044069 /nfs/dbraw/zinc/04/40/69/1034044069.db2.gz WFQUGENQQHLBQF-GFCCVEGCSA-N 0 0 368.393 2.798 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C ZINC000831924470 1034412131 /nfs/dbraw/zinc/41/21/31/1034412131.db2.gz IXCDQOHNQMPSJJ-GFCCVEGCSA-N 0 0 368.433 2.713 20 10 FFCDRN Cc1nn(C2CCOCC2)c(C)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000831925520 1034414738 /nfs/dbraw/zinc/41/47/38/1034414738.db2.gz YGOMSEOAPOTBMF-LBPRGKRZSA-N 0 0 373.453 2.624 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)n1-c1ccon1 ZINC000831930519 1034418537 /nfs/dbraw/zinc/41/85/37/1034418537.db2.gz DLJWBFZRTZUPTK-NSHDSACASA-N 0 0 355.394 2.854 20 10 FFCDRN Cc1cc(CC(=O)N[C@@H](CO)C2CCOCC2)c(C)n1-c1ccccc1 ZINC000831977062 1034449615 /nfs/dbraw/zinc/44/96/15/1034449615.db2.gz HTBRCWGSNKPKSN-FQEVSTJZSA-N 0 0 356.466 2.540 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)NCCc2cccc(O)c2)[NH+](C)C)cc1 ZINC001225931624 1034456523 /nfs/dbraw/zinc/45/65/23/1034456523.db2.gz NAVCEHRZBSXOHW-FQEVSTJZSA-N 0 0 370.497 2.603 20 10 FFCDRN Cc1cc(CC(=O)NCC[C@H]2CNC(=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000832000771 1034468450 /nfs/dbraw/zinc/46/84/50/1034468450.db2.gz KHQJQQQRYZKLOP-OAHLLOKOSA-N 0 0 373.884 2.932 20 10 FFCDRN C[C@H]1CC(=O)CCN1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138676783 1034536915 /nfs/dbraw/zinc/53/69/15/1034536915.db2.gz VJAWCPPQYWKZOZ-ZDUSSCGKSA-N 0 0 367.287 2.839 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCC3CC4(C3)OCCO4)c2C)cc1 ZINC000832224313 1034646067 /nfs/dbraw/zinc/64/60/67/1034646067.db2.gz XMRDNHVBLAWXHA-UHFFFAOYSA-N 0 0 370.449 2.986 20 10 FFCDRN CCCOC(=O)[C@H](C)Oc1cccc2c1C(=O)c1c(O)cccc1C2=O ZINC001226380388 1034659379 /nfs/dbraw/zinc/65/93/79/1034659379.db2.gz SISQPHRWGXETTF-NSHDSACASA-N 0 0 354.358 2.888 20 10 FFCDRN COc1ccc(N2CCN(Cc3cccc4ccnn43)CC2)c(OC)c1 ZINC001138810448 1034698101 /nfs/dbraw/zinc/69/81/01/1034698101.db2.gz UXURRVVRRSZDMP-UHFFFAOYSA-N 0 0 352.438 2.674 20 10 FFCDRN Cn1nc(CCNC(=O)NCc2cc(Cl)ccc2O)c2ccccc21 ZINC001226682910 1034786679 /nfs/dbraw/zinc/78/66/79/1034786679.db2.gz GHCYAWDQWMMUMT-UHFFFAOYSA-N 0 0 358.829 2.974 20 10 FFCDRN Cc1cc(CC(=O)N2CC[C@@H](C)C[C@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000832542228 1034853748 /nfs/dbraw/zinc/85/37/48/1034853748.db2.gz KRCSPNRLXPJDHV-KUHUBIRLSA-N 0 0 353.466 2.749 20 10 FFCDRN COc1ccc(N2CCN(Cc3n[nH]cc3Br)CC2)cc1 ZINC001139018865 1034885848 /nfs/dbraw/zinc/88/58/48/1034885848.db2.gz KPAVJCFUBNFXHI-UHFFFAOYSA-N 0 0 351.248 2.503 20 10 FFCDRN Cc1cc(=O)oc2c1ccc([O-])c2C[NH+]1CCN(c2cccnc2)CC1 ZINC001139126599 1034956827 /nfs/dbraw/zinc/95/68/27/1034956827.db2.gz LUPCDBLIWZNISN-UHFFFAOYSA-N 0 0 351.406 2.524 20 10 FFCDRN Cc1nnc([C@@H]2CCC[N@H+](Cc3c([O-])ccc4c(C)cc(=O)oc43)C2)o1 ZINC001139131024 1034961310 /nfs/dbraw/zinc/96/13/10/1034961310.db2.gz LVYCARPSNDBQNF-CYBMUJFWSA-N 0 0 355.394 2.878 20 10 FFCDRN CC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1noc(C)n1 ZINC001221686790 1034985066 /nfs/dbraw/zinc/98/50/66/1034985066.db2.gz UBXAPVLVGPBOBT-KRWDZBQOSA-N 0 0 373.457 2.806 20 10 FFCDRN CCOC(=O)c1nc2c(s1)CC[N@H+](Cc1c(F)ccc(F)c1[O-])CC2 ZINC001139681077 1035196175 /nfs/dbraw/zinc/19/61/75/1035196175.db2.gz HTBQOPSORODZDS-UHFFFAOYSA-N 0 0 368.405 2.904 20 10 FFCDRN CCO[C@@H]1C[N@H+](Cc2c(O)cccc2Br)[C@@H]2CCCO[C@H]12 ZINC001140100424 1035342114 /nfs/dbraw/zinc/34/21/14/1035342114.db2.gz OPNBTEUPQCEVSX-BMFZPTHFSA-N 0 0 356.260 2.923 20 10 FFCDRN CC/C(C)=C\c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000834698057 1035431440 /nfs/dbraw/zinc/43/14/40/1035431440.db2.gz VCXJUZIQPGOOCE-SQFISAMPSA-N 0 0 370.453 2.783 20 10 FFCDRN 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ZINC001336522255 1054042051 /nfs/dbraw/zinc/04/20/51/1054042051.db2.gz TUAQOFQFJFEBET-CQSZACIVSA-N 0 0 368.424 2.623 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NC3([C@@H]4CCCO4)CCC3)C2)cc1 ZINC001347650411 1054193577 /nfs/dbraw/zinc/19/35/77/1054193577.db2.gz QQOXVPTVDHTREX-LPHOPBHVSA-N 0 0 373.497 2.922 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C(=O)Nc2c(C(C)C)nc3ccccn32)c1 ZINC001336856878 1054291118 /nfs/dbraw/zinc/29/11/18/1054291118.db2.gz RDHFQXWTNSZSNB-UHFFFAOYSA-N 0 0 366.421 2.727 20 10 FFCDRN Nc1ccc(CNC(=O)NCCOc2ccc(C(F)(F)F)cn2)cc1 ZINC001336862744 1054297196 /nfs/dbraw/zinc/29/71/96/1054297196.db2.gz DVGSJEPLRHWFTC-UHFFFAOYSA-N 0 0 354.332 2.561 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(C(=O)Nc2cccnc2)cc1 ZINC001543414726 1071470560 /nfs/dbraw/zinc/47/05/60/1071470560.db2.gz JPQGOMDJSNVXNY-UHFFFAOYSA-N 0 0 363.373 2.926 20 10 FFCDRN COc1cc(C)c(NC(=O)C(=O)NCc2c(O)cccc2F)c(C)c1C ZINC001337064981 1054452232 /nfs/dbraw/zinc/45/22/32/1054452232.db2.gz SIWRXBXIACRMTM-UHFFFAOYSA-N 0 0 360.385 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/nfs/dbraw/zinc/81/34/51/1054813451.db2.gz YEAUDLRIVCOEGT-OAHLLOKOSA-N 0 0 371.462 2.535 20 10 FFCDRN COC12CCC(C(=O)NCc3ccc4c(c3)CCCN4C)(CC1)C(=O)C2 ZINC001348725159 1054882696 /nfs/dbraw/zinc/88/26/96/1054882696.db2.gz CKTZAPWFMAKGJK-UHFFFAOYSA-N 0 0 356.466 2.604 20 10 FFCDRN O=C(CCc1cccc(O)c1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001348879597 1054979034 /nfs/dbraw/zinc/97/90/34/1054979034.db2.gz LGLGQHAOCXQJAE-UHFFFAOYSA-N 0 0 354.450 2.602 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)C(=O)c3ccc(F)cc3)CC2)cc1 ZINC001337765183 1055002363 /nfs/dbraw/zinc/00/23/63/1055002363.db2.gz DWGWZNYTAZVQRZ-UHFFFAOYSA-N 0 0 356.397 2.756 20 10 FFCDRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1cccc(O)c1O ZINC001349078575 1055079311 /nfs/dbraw/zinc/07/93/11/1055079311.db2.gz IVIHFUVVQXSZSQ-UHFFFAOYSA-N 0 0 363.723 2.591 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1C1CCCC1 ZINC001349556509 1055336753 /nfs/dbraw/zinc/33/67/53/1055336753.db2.gz SHKQGXVXDDXGLJ-PMPSAXMXSA-N 0 0 361.438 2.515 20 10 FFCDRN CCc1cccc(CN2CCN(C)C[C@H]2CNC(=O)OC(C)(C)C)c1O ZINC000848909282 1055348002 /nfs/dbraw/zinc/34/80/02/1055348002.db2.gz PNGULEXKXKXSCZ-QGZVFWFLSA-N 0 0 363.502 2.595 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC)[C@H]1CCCCO1 ZINC000848939802 1055402354 /nfs/dbraw/zinc/40/23/54/1055402354.db2.gz QJTSHJZXUHPOQB-FUHWJXTLSA-N 0 0 362.470 2.595 20 10 FFCDRN CC(C)(C)O[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000847295128 1055405689 /nfs/dbraw/zinc/40/56/89/1055405689.db2.gz HWZDVDYZONGTBC-SAABIXHNSA-N 0 0 361.486 2.669 20 10 FFCDRN CC(C)NC(=O)CSc1ccccc1C(=O)NCc1ccc(N)cc1 ZINC001356238757 1055412242 /nfs/dbraw/zinc/41/22/42/1055412242.db2.gz KUSITDQZPWRWMU-UHFFFAOYSA-N 0 0 357.479 2.816 20 10 FFCDRN CCCN(C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000847303292 1055434858 /nfs/dbraw/zinc/43/48/58/1055434858.db2.gz UXFPRZJDZDENCK-UHFFFAOYSA-N 0 0 362.518 2.647 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)Cc3ccccn3)CC2)cc1 ZINC000847305931 1055440344 /nfs/dbraw/zinc/44/03/44/1055440344.db2.gz OWOPHTRWIMWNQH-INIZCTEOSA-N 0 0 368.481 2.989 20 10 FFCDRN CC(C)OC(=O)c1c(NC(=O)C[C@@H]2CCNC2=O)sc2c1CCCC2 ZINC001356483819 1055529856 /nfs/dbraw/zinc/52/98/56/1055529856.db2.gz FMEVVXBKNTWSDL-NSHDSACASA-N 0 0 364.467 2.657 20 10 FFCDRN CCc1nnc([C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)[nH]1 ZINC001350065576 1055602256 /nfs/dbraw/zinc/60/22/56/1055602256.db2.gz WLHVCQPMMBQCED-SNVBAGLBSA-N 0 0 357.439 2.915 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cnccc1C(F)(F)F ZINC000847382216 1055656462 /nfs/dbraw/zinc/65/64/62/1055656462.db2.gz YTBOWISREYCSOA-UHFFFAOYSA-N 0 0 365.355 2.867 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H]2CCc3ccccc3NC2=O)c1 ZINC000847396983 1055694256 /nfs/dbraw/zinc/69/42/56/1055694256.db2.gz MKENDGTXQPRVIS-SJKOYZFVSA-N 0 0 369.421 2.715 20 10 FFCDRN CC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1C ZINC000847484805 1055900035 /nfs/dbraw/zinc/90/00/35/1055900035.db2.gz SBLLRLOQUVBEQX-UHFFFAOYSA-N 0 0 371.412 2.658 20 10 FFCDRN Cc1cnc2c(cnn2CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001358207436 1056192914 /nfs/dbraw/zinc/19/29/14/1056192914.db2.gz XIRADDHTLUKHKS-UHFFFAOYSA-N 0 0 363.465 2.997 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C\c3cn(C)cn3)cc2F)C[C@@H](C)O1 ZINC001351389933 1056240302 /nfs/dbraw/zinc/24/03/02/1056240302.db2.gz VINJUYNQJCLSLQ-JFOCPDPESA-N 0 0 372.444 2.502 20 10 FFCDRN COC(=O)c1ccccc1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001358320576 1056248066 /nfs/dbraw/zinc/24/80/66/1056248066.db2.gz MACXVZYTQIIIAA-OAHLLOKOSA-N 0 0 368.433 2.738 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)cc1 ZINC001353540657 1056513085 /nfs/dbraw/zinc/51/30/85/1056513085.db2.gz XLXPDISQMJIDEQ-IBGZPJMESA-N 0 0 366.465 2.763 20 10 FFCDRN CC(C)(C)OCc1ccccc1NC(=O)C(=O)NCc1ccccc1O ZINC001339587955 1056614118 /nfs/dbraw/zinc/61/41/18/1056614118.db2.gz DUHHBMATCILGDF-UHFFFAOYSA-N 0 0 356.422 2.962 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cc4ccccc4o3)C2)cc1 ZINC000849416201 1056849004 /nfs/dbraw/zinc/84/90/04/1056849004.db2.gz MDFTXCZEQYJTLE-OAHLLOKOSA-N 0 0 372.446 2.999 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001544643267 1071672389 /nfs/dbraw/zinc/67/23/89/1071672389.db2.gz ANAHNKDKEXKMSB-QGZVFWFLSA-N 0 0 359.397 2.987 20 10 FFCDRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)NCc1cc(Cl)ccc1O)C2=O ZINC001300397712 1058170945 /nfs/dbraw/zinc/17/09/45/1058170945.db2.gz AGPQHSYIRKETLU-LLVKDONJSA-N 0 0 372.808 2.655 20 10 FFCDRN CO[C@@]1(Cn2c(C(C)C)nnc2N(C)Cc2ccccc2O)CCOC1 ZINC001517922858 1058204805 /nfs/dbraw/zinc/20/48/05/1058204805.db2.gz LGIQRJISLNLDBB-LJQANCHMSA-N 0 0 360.458 2.549 20 10 FFCDRN COC1(C(=O)Nc2ccc(N=Nc3ccccc3)cc2)CS(=O)(=O)C1 ZINC001353788256 1058220651 /nfs/dbraw/zinc/22/06/51/1058220651.db2.gz GTIIDVQFKHVQOU-UHFFFAOYSA-N 0 0 359.407 2.854 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCN(C)[C@H](C)C2)CCCC1 ZINC001444056858 1058264126 /nfs/dbraw/zinc/26/41/26/1058264126.db2.gz DEGHXWUQEQGZIO-OAHLLOKOSA-N 0 0 355.482 2.691 20 10 FFCDRN CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC001445936712 1058459441 /nfs/dbraw/zinc/45/94/41/1058459441.db2.gz FVCIZCTYFYCYGU-CQSZACIVSA-N 0 0 366.458 2.840 20 10 FFCDRN CC[C@H](c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1)[C@@H](C)O ZINC001519113442 1058635163 /nfs/dbraw/zinc/63/51/63/1058635163.db2.gz ALTYPRMCLOZECC-INMHGKMJSA-N 0 0 374.485 2.531 20 10 FFCDRN Cc1cc(C=O)c(O)c(C(=O)NCc2cccc(Br)c2O)c1 ZINC001448956004 1058845558 /nfs/dbraw/zinc/84/55/58/1058845558.db2.gz CRZDUJZFXHHPNJ-UHFFFAOYSA-N 0 0 364.195 2.911 20 10 FFCDRN O=C(Cc1cnn2ccccc12)NCc1cccc(Br)c1O ZINC001448957250 1058846333 /nfs/dbraw/zinc/84/63/33/1058846333.db2.gz FHTOXZLKJJUSIC-UHFFFAOYSA-N 0 0 360.211 2.661 20 10 FFCDRN Cc1cc(C(=O)NCCCn2cccnc2=O)c(C)n1-c1ccccc1C ZINC001449079400 1058862106 /nfs/dbraw/zinc/86/21/06/1058862106.db2.gz HMQIHDYNYYPVMJ-UHFFFAOYSA-N 0 0 364.449 2.779 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1ccc(C(=O)OC)cc1 ZINC001449117169 1058863366 /nfs/dbraw/zinc/86/33/66/1058863366.db2.gz GPWHLOQXKDUUAM-UHFFFAOYSA-N 0 0 362.422 2.914 20 10 FFCDRN Cc1ccc(C(=O)N2CCCC[C@H]2COC(=O)N2CCCC2)c(O)c1O ZINC001449216536 1058874788 /nfs/dbraw/zinc/87/47/88/1058874788.db2.gz JBXBYWSESPWUJI-AWEZNQCLSA-N 0 0 362.426 2.633 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1OCC[C@H]1C ZINC001503016691 1058927259 /nfs/dbraw/zinc/92/72/59/1058927259.db2.gz AWZYYRGDWCSFOU-RHSMWYFYSA-N 0 0 360.458 2.582 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC001450608808 1059033410 /nfs/dbraw/zinc/03/34/10/1059033410.db2.gz YSGZCXWAPXPPNE-SFHVURJKSA-N 0 0 355.482 2.589 20 10 FFCDRN CN(C)c1cnc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1 ZINC001354577072 1059191045 /nfs/dbraw/zinc/19/10/45/1059191045.db2.gz OGRUHDULMGJYQV-UHFFFAOYSA-N 0 0 372.384 2.570 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2cncc(N3CCCC3)c2)n1C ZINC001520068075 1059371209 /nfs/dbraw/zinc/37/12/09/1059371209.db2.gz LMMKLEKRHGMEHP-UHFFFAOYSA-N 0 0 364.453 2.819 20 10 FFCDRN Cc1cc(CCNC(=O)[C@@]2(C)CCN(C)C2=O)c(C)n1-c1ccccc1 ZINC001454478531 1059546131 /nfs/dbraw/zinc/54/61/31/1059546131.db2.gz XKSDZTPSRHKNBD-OAQYLSRUSA-N 0 0 353.466 2.621 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@H](O)C(F)F ZINC001454618792 1059585260 /nfs/dbraw/zinc/58/52/60/1059585260.db2.gz ZMAFMLOSOYACOB-INIZCTEOSA-N 0 0 350.365 2.653 20 10 FFCDRN CCN(CC)c1nnc(-c2cnn(C)c2)n1Cc1ccc(N(C)C)cc1C ZINC001515538266 1059689232 /nfs/dbraw/zinc/68/92/32/1059689232.db2.gz GLCGDOCTXUPDIE-UHFFFAOYSA-N 0 0 367.501 2.948 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001455313518 1059753214 /nfs/dbraw/zinc/75/32/14/1059753214.db2.gz CZBMJABNTCZZQL-UHFFFAOYSA-N 0 0 354.265 2.537 20 10 FFCDRN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC001456027099 1059988337 /nfs/dbraw/zinc/98/83/37/1059988337.db2.gz CSBFBVOLZBYRDH-CQSZACIVSA-N 0 0 352.406 2.937 20 10 FFCDRN COc1cc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)n(C)n1 ZINC001456033362 1059990307 /nfs/dbraw/zinc/99/03/07/1059990307.db2.gz ZCYTULKQDXJWMY-UHFFFAOYSA-N 0 0 352.394 2.901 20 10 FFCDRN COc1cc(N)c(C(=O)NCc2c(O)cccc2F)cc1Br ZINC001456031010 1059990750 /nfs/dbraw/zinc/99/07/50/1059990750.db2.gz VPHKJSCPJYGEFY-UHFFFAOYSA-N 0 0 369.190 2.815 20 10 FFCDRN CC(C)c1nnc2n1CCN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]2C ZINC001456104294 1060013161 /nfs/dbraw/zinc/01/31/61/1060013161.db2.gz VTVZUPCNHLBWRB-NSHDSACASA-N 0 0 355.402 2.781 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCSC1 ZINC001516462247 1060092154 /nfs/dbraw/zinc/09/21/54/1060092154.db2.gz REUSMVWQRKYVKQ-CQSZACIVSA-N 0 0 362.499 2.910 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2nnc(-c3cscn3)n2C)cc1 ZINC001355318458 1060114264 /nfs/dbraw/zinc/11/42/64/1060114264.db2.gz NDKKUBOAVXVOHP-UHFFFAOYSA-N 0 0 358.471 2.520 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1coc(Sc2ncccn2)n1 ZINC001457035976 1060259853 /nfs/dbraw/zinc/25/98/53/1060259853.db2.gz MBICFNFYBRHRRL-UHFFFAOYSA-N 0 0 362.798 2.905 20 10 FFCDRN CC(C)Cn1c(CCc2cncnc2)nnc1N(C)Cc1ccccc1O ZINC001517019882 1060308211 /nfs/dbraw/zinc/30/82/11/1060308211.db2.gz HBBUHZQQFBWNDI-UHFFFAOYSA-N 0 0 366.469 2.851 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N(C)C)cc2)cc1N1CCOCC1 ZINC001355878940 1060687954 /nfs/dbraw/zinc/68/79/54/1060687954.db2.gz OVCHVHGMWOYCHN-UHFFFAOYSA-N 0 0 353.466 2.828 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N3CCC(F)(F)CC3)CC2)cc1F ZINC001475086595 1060938395 /nfs/dbraw/zinc/93/83/95/1060938395.db2.gz AUCXSIAPQMVIJE-UHFFFAOYSA-N 0 0 357.376 2.807 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)CC3CC4(CCC4)C3)CC2)cc1 ZINC001475111661 1060949980 /nfs/dbraw/zinc/94/99/80/1060949980.db2.gz RKIYORKZDPBQFM-UHFFFAOYSA-N 0 0 364.511 2.727 20 10 FFCDRN CC[C@](COC)(NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)OC ZINC001460699565 1061069292 /nfs/dbraw/zinc/06/92/92/1061069292.db2.gz AVMMGFLISVXLLG-HXUWFJFHSA-N 0 0 358.438 2.792 20 10 FFCDRN Cc1cc(CNS(=O)(=O)CCn2ccnc2)c(C)n1-c1cccc(C)c1 ZINC001475566969 1061142655 /nfs/dbraw/zinc/14/26/55/1061142655.db2.gz QMAXJVWIGHMQAX-UHFFFAOYSA-N 0 0 372.494 2.719 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H]4CC[N@H+](C)[C@H]4C3)ccc21 ZINC001526564347 1061167864 /nfs/dbraw/zinc/16/78/64/1061167864.db2.gz CHFCZXOOEZPAAP-XLIONFOSSA-N 0 0 355.482 2.681 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C(=O)c3ccc(C)cc3)CC2)c(OC)c1 ZINC001461981317 1061468591 /nfs/dbraw/zinc/46/85/91/1061468591.db2.gz KKKIKOJZWQGRGE-UHFFFAOYSA-N 0 0 368.433 2.544 20 10 FFCDRN COC(=O)c1c(C)sc(C)c1NC(=O)NCCc1ccc(O)c(O)c1 ZINC001477026499 1061549636 /nfs/dbraw/zinc/54/96/36/1061549636.db2.gz OPKCHMNOCOQABO-UHFFFAOYSA-N 0 0 364.423 2.927 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001462780636 1061771972 /nfs/dbraw/zinc/77/19/72/1061771972.db2.gz ZYOHMIFORXCHPM-OALUTQOASA-N 0 0 366.527 2.862 20 10 FFCDRN Cc1c(-c2cc(COC(=O)/C=C\c3ccc(O)c(O)c3)on2)cnn1C ZINC000767573890 1061781312 /nfs/dbraw/zinc/78/13/12/1061781312.db2.gz FASBRLDGQCXFOA-XQRVVYSFSA-N 0 0 355.350 2.551 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc2c1CCN(C)C2 ZINC001463073021 1061924507 /nfs/dbraw/zinc/92/45/07/1061924507.db2.gz TYJFJEORRYXXKW-UHFFFAOYSA-N 0 0 373.522 2.527 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1nc(C2CC2)cs1 ZINC001528611507 1061977148 /nfs/dbraw/zinc/97/71/48/1061977148.db2.gz WPOMIUGMHWSHER-UHFFFAOYSA-N 0 0 357.479 2.912 20 10 FFCDRN COC1(C(F)(F)F)CN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC001478841360 1062126835 /nfs/dbraw/zinc/12/68/35/1062126835.db2.gz UVESTVBSEYTRJJ-ZDUSSCGKSA-N 0 0 373.419 2.965 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC001463628402 1062189236 /nfs/dbraw/zinc/18/92/36/1062189236.db2.gz VJQZKFMGIZNICY-UHFFFAOYSA-N 0 0 360.841 2.638 20 10 FFCDRN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1Cc1cnn(C)c1 ZINC001492780565 1062204557 /nfs/dbraw/zinc/20/45/57/1062204557.db2.gz SUVSGZAHOGFSME-UHFFFAOYSA-N 0 0 365.485 2.605 20 10 FFCDRN COc1ccc(CCNC(=O)NCc2cc(Cl)ccc2O)cc1O ZINC001479208725 1062286201 /nfs/dbraw/zinc/28/62/01/1062286201.db2.gz BYPHGLVYAXZROM-UHFFFAOYSA-N 0 0 350.802 2.802 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)CCOC(C)(C)C ZINC001463902843 1062322080 /nfs/dbraw/zinc/32/20/80/1062322080.db2.gz 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ZINC001531694313 1062850696 /nfs/dbraw/zinc/85/06/96/1062850696.db2.gz PCTVBZPVCIBDSY-FQEVSTJZSA-N 0 0 364.449 2.833 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@](C)(NC(=O)c1cccc(O)c1O)C1CC1 ZINC001464899367 1062900208 /nfs/dbraw/zinc/90/02/08/1062900208.db2.gz HWQZKNQCQLLGBH-GOSISDBHSA-N 0 0 350.415 2.521 20 10 FFCDRN Cc1cc(CCNC(=O)[C@H]2CC[C@@H](C(N)=O)C2)c(C)n1-c1ccccc1 ZINC001438176172 1062965895 /nfs/dbraw/zinc/96/58/95/1062965895.db2.gz AOWZMDCDRNTVJF-MSOLQXFVSA-N 0 0 353.466 2.654 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1OC(C)(C)C ZINC001546152210 1062997204 /nfs/dbraw/zinc/99/72/04/1062997204.db2.gz XGSYGIJCOAIKOV-UKRRQHHQSA-N 0 0 369.845 2.751 20 10 FFCDRN O=C(NCc1c(O)cccc1F)Nc1ccc(CN2CCOC2=O)cc1 ZINC001465337849 1063055092 /nfs/dbraw/zinc/05/50/92/1063055092.db2.gz DXIIOKBOGVNTFE-UHFFFAOYSA-N 0 0 359.357 2.805 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCSC[C@@H]2CO)ccc1C ZINC001466170128 1063352325 /nfs/dbraw/zinc/35/23/25/1063352325.db2.gz VOMFEBWRVNPTIJ-SFHVURJKSA-N 0 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2.750 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC001558174041 1075956438 /nfs/dbraw/zinc/95/64/38/1075956438.db2.gz CIYXLZDGGDIMOT-UHFFFAOYSA-N 0 0 369.421 2.658 20 10 FFCDRN COc1cc2cc(C(=O)NCc3cc(O)ccc3O)[nH]c2c(OC)c1OC ZINC001558174818 1075956719 /nfs/dbraw/zinc/95/67/19/1075956719.db2.gz VDMKCOJJPOJXCB-UHFFFAOYSA-N 0 0 372.377 2.535 20 10 FFCDRN CCOC(=O)[C@@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC001558421084 1076000772 /nfs/dbraw/zinc/00/07/72/1076000772.db2.gz OHUHJQFUNZRYGK-ZZLBYYGFSA-N 0 0 355.390 2.706 20 10 FFCDRN COC(=O)[C@@]1(NC(=O)c2cccc(O)c2O)CC[C@H](C)c2ccccc21 ZINC001558815337 1076081574 /nfs/dbraw/zinc/08/15/74/1076081574.db2.gz JMAFPOPVABSYBU-FKIZINRSSA-N 0 0 355.390 2.793 20 10 FFCDRN C(=C/c1ccccc1)\CN(CCn1cnnn1)c1ccc2c(c1)OCCO2 ZINC001559600513 1076176199 /nfs/dbraw/zinc/17/61/99/1076176199.db2.gz YHTPMHXYLWPRJS-QPJJXVBHSA-N 0 0 363.421 2.664 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H](O)C1 ZINC001560565268 1076280238 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CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1nc(C(N)=O)cs1 ZINC001563393438 1076550181 /nfs/dbraw/zinc/55/01/81/1076550181.db2.gz XONJMFHJUWMZMT-UHFFFAOYSA-N 0 0 373.482 2.896 20 10 FFCDRN CC[C@@H]1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@@H]1C ZINC001563810559 1076584612 /nfs/dbraw/zinc/58/46/12/1076584612.db2.gz GSXYRYDVXTYFNV-QZTJIDSGSA-N 0 0 374.529 2.647 20 10 FFCDRN CC(=O)N1CCC(CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1 ZINC001563966249 1076596244 /nfs/dbraw/zinc/59/62/44/1076596244.db2.gz AFIIGDPEMSWAHD-UHFFFAOYSA-N 0 0 372.513 2.687 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@]2(O)CCCc3ccccc32)cc1 ZINC001565735769 1076759252 /nfs/dbraw/zinc/75/92/52/1076759252.db2.gz VGYDNWGSVWYPSL-LJQANCHMSA-N 0 0 352.394 2.803 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1nnn(Cc2cc(C)on2)c1C ZINC001566305120 1076943505 /nfs/dbraw/zinc/94/35/05/1076943505.db2.gz JLPHBEMZLNIIIS-UHFFFAOYSA-N 0 0 369.425 2.689 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/c1cccnc1C ZINC001566850084 1076985640 /nfs/dbraw/zinc/98/56/40/1076985640.db2.gz WENAMPAFYYXBIY-VMPITWQZSA-N 0 0 374.824 2.964 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC(c2ccc(C)cc2)=NO1 ZINC001568737490 1077108923 /nfs/dbraw/zinc/10/89/23/1077108923.db2.gz AJZRIHVKLWHMBL-KRWDZBQOSA-N 0 0 359.422 2.996 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CNc1ccccc1[N+](=O)[O-] ZINC001568735905 1077108996 /nfs/dbraw/zinc/10/89/96/1077108996.db2.gz NBLXKMXQDRSOON-UHFFFAOYSA-N 0 0 350.371 2.514 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC(c2ccc(C)cc2)=NO1 ZINC001568737491 1077109029 /nfs/dbraw/zinc/10/90/29/1077109029.db2.gz AJZRIHVKLWHMBL-QGZVFWFLSA-N 0 0 359.422 2.996 20 10 FFCDRN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569582987 1077153543 /nfs/dbraw/zinc/15/35/43/1077153543.db2.gz AOKCVRNHIMYWKH-BETUJISGSA-N 0 0 373.457 2.957 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1ccc(I)cc1 ZINC001570462354 1077207502 /nfs/dbraw/zinc/20/75/02/1077207502.db2.gz QDWDZUMLKJADGA-UHFFFAOYSA-N 0 0 369.158 2.632 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(Cl)ncc1F ZINC001570514649 1077212421 /nfs/dbraw/zinc/21/24/21/1077212421.db2.gz KCNMPRWWDSBBHA-UHFFFAOYSA-N 0 0 366.776 2.785 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc2cccnc2c1O ZINC001570531421 1077213399 /nfs/dbraw/zinc/21/33/99/1077213399.db2.gz FSCYZSALAFAXIC-UHFFFAOYSA-N 0 0 370.430 2.664 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1cc2cc(F)ccc2[nH]c1=O ZINC001570533705 1077214052 /nfs/dbraw/zinc/21/40/52/1077214052.db2.gz NJJFELPLQSHCDO-UHFFFAOYSA-N 0 0 363.348 2.851 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2n(n1)CCC[C@H]2O ZINC001570581655 1077216561 /nfs/dbraw/zinc/21/65/61/1077216561.db2.gz DSUGLHJVIQKAJW-LJQANCHMSA-N 0 0 354.454 2.631 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(-n4cccc4)nc3)C2)cc1 ZINC001585987323 1079521606 /nfs/dbraw/zinc/52/16/06/1079521606.db2.gz ACRWGZICHHSWAD-QGZVFWFLSA-N 0 0 362.433 2.890 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)C[C@@H]3Cc4ccccc4O3)C2)cc1 ZINC001585994324 1079522747 /nfs/dbraw/zinc/52/27/47/1079522747.db2.gz IXPKGUTWRIWIRR-APWZRJJASA-N 0 0 352.434 2.784 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2COc3cc(F)ccc3C2)cc1 ZINC001586648710 1079662272 /nfs/dbraw/zinc/66/22/72/1079662272.db2.gz ARPHGGIVFZXIOS-INIZCTEOSA-N 0 0 372.440 2.980 20 10 FFCDRN O=C(c1cn(-c2cccc(Cl)c2F)nn1)N1Cc2cccc(O)c2C1 ZINC001587928042 1079892298 /nfs/dbraw/zinc/89/22/98/1079892298.db2.gz HMTXIIAUEBHGQI-UHFFFAOYSA-N 0 0 358.760 2.921 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589962158 1080905771 /nfs/dbraw/zinc/90/57/71/1080905771.db2.gz HCLBWWGDNUVMRP-KWBADKCTSA-N 0 0 371.363 2.723 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589965884 1080908748 /nfs/dbraw/zinc/90/87/48/1080908748.db2.gz RIEVAIVAWVYBTC-KBMXLJTQSA-N 0 0 365.437 2.796 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CC[C@H](C(=O)OC(C)(C)C)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589973614 1080914191 /nfs/dbraw/zinc/91/41/91/1080914191.db2.gz ILFBUIRTUQSEDJ-RWMBFGLXSA-N 0 0 373.457 2.733 20 10 FFCDRN C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1cccc(-c2nn[nH]n2)c1O ZINC001589984215 1080922795 /nfs/dbraw/zinc/92/27/95/1080922795.db2.gz KSWQBTRMGPTDNO-NSHDSACASA-N 0 0 352.398 2.574 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccccc2-n2ccnc2)c(O)c1 ZINC000377073962 512110715 /nfs/dbraw/zinc/11/07/15/512110715.db2.gz QPKKTVVEYDDCID-UHFFFAOYSA-N 0 0 352.394 2.586 20 10 FFCDRN Cn1ncc2c1CCC[C@H]2NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000041405159 208285485 /nfs/dbraw/zinc/28/54/85/208285485.db2.gz AZPDNLYPGHZCDX-GOSISDBHSA-N 0 0 353.470 2.897 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3CCCc4nn(C)cc43)CC2)cc1 ZINC000366826166 512204143 /nfs/dbraw/zinc/20/41/43/512204143.db2.gz SGQZEYBNFAIDHK-GOSISDBHSA-N 0 0 368.481 2.588 20 10 FFCDRN Cn1cc2c(n1)CCC[C@@H]2C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000369070213 512214850 /nfs/dbraw/zinc/21/48/50/512214850.db2.gz HJYILIQSTOYGAO-SJORKVTESA-N 0 0 369.465 2.753 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1=CCOCC1 ZINC000369129739 512241350 /nfs/dbraw/zinc/24/13/50/512241350.db2.gz HRLHFOBOCARUJN-UHFFFAOYSA-N 0 0 352.381 2.720 20 10 FFCDRN COc1ccc(N2CCN([C@@H](C)C(=O)Nc3ccnn3C(C)C)CC2)cc1 ZINC000039561368 506453700 /nfs/dbraw/zinc/45/37/00/506453700.db2.gz QPOSEDVTRJPBOU-INIZCTEOSA-N 0 0 371.485 2.622 20 10 FFCDRN C[C@@H]1Oc2ccccc2N(CCC(=O)N(C)Cc2ccccc2O)C1=O ZINC000053915115 506460452 /nfs/dbraw/zinc/46/04/52/506460452.db2.gz UTHDJAKOIWKOCY-AWEZNQCLSA-N 0 0 354.406 2.555 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCC(=O)N2 ZINC000041365131 506509193 /nfs/dbraw/zinc/50/91/93/506509193.db2.gz OCFLORRAGMRAAG-UHFFFAOYSA-N 0 0 351.406 2.548 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCc1nnc2n1CCC2 ZINC000055078054 506671281 /nfs/dbraw/zinc/67/12/81/506671281.db2.gz PWEOTUIJDAAEAH-UHFFFAOYSA-N 0 0 368.485 2.556 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cccc4c3OCCO4)CC2)cc1 ZINC000067056738 506739822 /nfs/dbraw/zinc/73/98/22/506739822.db2.gz PWORGNDEQCIILP-UHFFFAOYSA-N 0 0 368.433 2.819 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)n1cccn1 ZINC000055530919 506771859 /nfs/dbraw/zinc/77/18/59/506771859.db2.gz ZMPPWUIWIIGIEK-QLFBSQMISA-N 0 0 360.433 2.513 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(NC(=O)NCc3ccccc3O)CC2)cc1 ZINC000067413722 506868002 /nfs/dbraw/zinc/86/80/02/506868002.db2.gz VALBVLXJEKVMDL-UHFFFAOYSA-N 0 0 367.449 2.805 20 10 FFCDRN Cc1ccccc1NCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000056198884 506959662 /nfs/dbraw/zinc/95/96/62/506959662.db2.gz FVQGUNDVKPIQFV-UHFFFAOYSA-N 0 0 353.466 2.950 20 10 FFCDRN O=C(CSc1nccs1)N1CCN(C(=O)Nc2ccccc2)CC1 ZINC000056267907 506970681 /nfs/dbraw/zinc/97/06/81/506970681.db2.gz LWHJZHLPOHTVIC-UHFFFAOYSA-N 0 0 362.480 2.612 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000015141588 507023922 /nfs/dbraw/zinc/02/39/22/507023922.db2.gz ZQHVQHNNEXXVMB-UHFFFAOYSA-N 0 0 372.381 2.976 20 10 FFCDRN COc1cccc(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1O ZINC000068488907 507248544 /nfs/dbraw/zinc/24/85/44/507248544.db2.gz OJTCYPFNNKHOOC-UHFFFAOYSA-N 0 0 363.797 2.684 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](NC(=O)c2cccc(C)c2)C(C)C)c1O ZINC000068488731 507248671 /nfs/dbraw/zinc/24/86/71/507248671.db2.gz KHTVIJVWGLJMFI-GOSISDBHSA-N 0 0 370.449 2.780 20 10 FFCDRN COc1cccc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@H]3C)c2)c1O ZINC000068489140 507249314 /nfs/dbraw/zinc/24/93/14/507249314.db2.gz AUJONTRRYYDGOS-WBMJQRKESA-N 0 0 354.406 2.925 20 10 FFCDRN CCCC(=O)N1CCC[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000057550482 507284981 /nfs/dbraw/zinc/28/49/81/507284981.db2.gz WPAIIYMILQTVQR-GOSISDBHSA-N 0 0 357.498 2.724 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)Cc2csc(N3CCCC3=O)n2)cc1 ZINC000023744934 507370609 /nfs/dbraw/zinc/37/06/09/507370609.db2.gz FJIQAUOQCWKYGC-UHFFFAOYSA-N 0 0 372.494 2.537 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000048027229 507437089 /nfs/dbraw/zinc/43/70/89/507437089.db2.gz LWRIWWXXASWEFT-UHFFFAOYSA-N 0 0 356.426 2.570 20 10 FFCDRN COc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc(OC)c1OC ZINC000058730551 507458234 /nfs/dbraw/zinc/45/82/34/507458234.db2.gz BZIQLHLKYBMQON-UHFFFAOYSA-N 0 0 362.401 2.848 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(=O)OCC(F)(F)F ZINC000069386262 507479761 /nfs/dbraw/zinc/47/97/61/507479761.db2.gz KKOJITKSCCZSAD-GFCCVEGCSA-N 0 0 360.332 2.514 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3ccc(CS(C)(=O)=O)cc3)ccc21 ZINC000069950514 507591841 /nfs/dbraw/zinc/59/18/41/507591841.db2.gz OIUAOWWFXYMTRD-UHFFFAOYSA-N 0 0 372.490 2.544 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000028334399 507720520 /nfs/dbraw/zinc/72/05/20/507720520.db2.gz GNXDGAASIMGTLF-QGZVFWFLSA-N 0 0 367.449 2.545 20 10 FFCDRN CN(C)c1ccc(CN(C)c2cc(C(F)(F)F)nc3ncnn32)cc1 ZINC000051402254 507767494 /nfs/dbraw/zinc/76/74/94/507767494.db2.gz KARICVRDUQTHLD-UHFFFAOYSA-N 0 0 350.348 2.846 20 10 FFCDRN C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000072540590 507804632 /nfs/dbraw/zinc/80/46/32/507804632.db2.gz FMNJWCOXDXDWOS-BFUOFWGJSA-N 0 0 354.406 2.707 20 10 FFCDRN COc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)nn1 ZINC000078110408 507835633 /nfs/dbraw/zinc/83/56/33/507835633.db2.gz KKKLNBLXFWBHQR-UHFFFAOYSA-N 0 0 368.359 2.756 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1=COCCC1 ZINC000107454534 507853129 /nfs/dbraw/zinc/85/31/29/507853129.db2.gz CKCUZQJGQZTLCM-UHFFFAOYSA-N 0 0 370.371 2.853 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)CCNC(=O)c3ccco3)cc2)CC1 ZINC000108296157 507885362 /nfs/dbraw/zinc/88/53/62/507885362.db2.gz JLZIVWWBXGPKKW-UHFFFAOYSA-N 0 0 369.465 2.952 20 10 FFCDRN CC(=O)N1CCC(NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)CC1 ZINC000108443896 507895140 /nfs/dbraw/zinc/89/51/40/507895140.db2.gz HMIZWOCRHMNGNO-UHFFFAOYSA-N 0 0 372.513 2.733 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1c2ccccc2C[C@H]1O ZINC000079158401 507939179 /nfs/dbraw/zinc/93/91/79/507939179.db2.gz CYPHWBBQQJBLLI-UXHICEINSA-N 0 0 351.450 2.744 20 10 FFCDRN CC(C)C(=O)NC1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000079493276 507968230 /nfs/dbraw/zinc/96/82/30/507968230.db2.gz UHVQYMFWBLIYGN-UHFFFAOYSA-N 0 0 372.513 2.733 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cncc(C)c2)cc1F ZINC000079885063 508010503 /nfs/dbraw/zinc/01/05/03/508010503.db2.gz MLKQXMDKDNQIGR-UHFFFAOYSA-N 0 0 358.417 2.630 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000080012206 508027094 /nfs/dbraw/zinc/02/70/94/508027094.db2.gz NRXFTGOFCFPKNA-IBGZPJMESA-N 0 0 369.469 2.984 20 10 FFCDRN O=C(NCCCOC1CCOCC1)NCc1c(O)ccc2c1CCCC2 ZINC000074543411 508033566 /nfs/dbraw/zinc/03/35/66/508033566.db2.gz UGRWTXYQLRUHCH-UHFFFAOYSA-N 0 0 362.470 2.656 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCn1ccnc1 ZINC000080660159 508092113 /nfs/dbraw/zinc/09/21/13/508092113.db2.gz MHRUASPVQRIEED-UHFFFAOYSA-N 0 0 367.247 2.583 20 10 FFCDRN CC(C)C(=O)NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092706151 508096487 /nfs/dbraw/zinc/09/64/87/508096487.db2.gz UBNOLJHQFCGQSS-LBPRGKRZSA-N 0 0 369.849 2.938 20 10 FFCDRN O=C(C[C@@H]1CCCO1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203291 508147116 /nfs/dbraw/zinc/14/71/16/508147116.db2.gz QZDWQPILGNWURD-BBRMVZONSA-N 0 0 354.397 2.942 20 10 FFCDRN Cc1n[nH]cc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203366 508147261 /nfs/dbraw/zinc/14/72/61/508147261.db2.gz UFJWTRGZSIPUHQ-GFCCVEGCSA-N 0 0 350.369 2.718 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]2Cc2ccccc2)c1 ZINC000093910694 508160738 /nfs/dbraw/zinc/16/07/38/508160738.db2.gz DOBZUANUKBGYDA-INIZCTEOSA-N 0 0 374.462 2.611 20 10 FFCDRN COCc1cccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000076562989 508224519 /nfs/dbraw/zinc/22/45/19/508224519.db2.gz JIAMBHIFFMSRQQ-UHFFFAOYSA-N 0 0 368.433 2.672 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCOc2ccccc21 ZINC000076852249 508258616 /nfs/dbraw/zinc/25/86/16/508258616.db2.gz XTTIJHZGNUTSGY-IBGZPJMESA-N 0 0 352.434 2.706 20 10 FFCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)n1cccn1 ZINC000076875589 508259558 /nfs/dbraw/zinc/25/95/58/508259558.db2.gz GTKFXHYZDHNWLO-VQIMIIECSA-N 0 0 356.470 2.718 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](O)C2CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000077050127 508276807 /nfs/dbraw/zinc/27/68/07/508276807.db2.gz YTBGWQCAOBTRNE-LJQANCHMSA-N 0 0 360.429 2.751 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(C(C)=O)cc3)CC2)cc1F ZINC000084814884 508294051 /nfs/dbraw/zinc/29/40/51/508294051.db2.gz IGEHBWACNLXONI-UHFFFAOYSA-N 0 0 356.397 2.999 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(=O)n(C)c2)cc1 ZINC000103413585 508311124 /nfs/dbraw/zinc/31/11/24/508311124.db2.gz OJIUXQYSXZOWDF-UHFFFAOYSA-N 0 0 367.371 2.656 20 10 FFCDRN Cc1noc(C)c1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000077719411 508358644 /nfs/dbraw/zinc/35/86/44/508358644.db2.gz NZJWBMIOYYHURG-UHFFFAOYSA-N 0 0 370.453 2.879 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@H](CCO)c2ccccc2)cc1F ZINC000077800297 508375876 /nfs/dbraw/zinc/37/58/76/508375876.db2.gz SYLVTCLPGTWIDO-KRWDZBQOSA-N 0 0 359.445 2.857 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1F ZINC000121773764 508415257 /nfs/dbraw/zinc/41/52/57/508415257.db2.gz JHVSGGYKXFFMHA-UHFFFAOYSA-N 0 0 373.428 2.746 20 10 FFCDRN Cc1ccc([C@H](O)CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000127985474 508531696 /nfs/dbraw/zinc/53/16/96/508531696.db2.gz YHACEYRADOYAHA-HXUWFJFHSA-N 0 0 351.450 2.904 20 10 FFCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCn1cncn1 ZINC000116720305 508551580 /nfs/dbraw/zinc/55/15/80/508551580.db2.gz LDBPMKIUCHJVNO-UHFFFAOYSA-N 0 0 357.439 2.725 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCc2cccc(F)c2C1 ZINC000157779145 508610942 /nfs/dbraw/zinc/61/09/42/508610942.db2.gz MWQQYZHMONHPSD-UHFFFAOYSA-N 0 0 369.440 2.930 20 10 FFCDRN CCc1n[nH]c(=O)c(C(=O)NCc2ccc(N(CC)CC)c(F)c2)c1CC ZINC000128877494 508654029 /nfs/dbraw/zinc/65/40/29/508654029.db2.gz VCIRHWZUHRJMHC-UHFFFAOYSA-N 0 0 374.460 2.810 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCO[C@@H](c4ccco4)C3)ccc21 ZINC000128903966 508658026 /nfs/dbraw/zinc/65/80/26/508658026.db2.gz CMHDTIFBWCIZCC-LJQANCHMSA-N 0 0 355.438 2.945 20 10 FFCDRN Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCCc3ccc(O)c(O)c3)c12 ZINC000154004838 508696296 /nfs/dbraw/zinc/69/62/96/508696296.db2.gz 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0 0 351.324 2.978 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2ccc([S@](C)=O)cc2)cc1 ZINC000175173385 510518114 /nfs/dbraw/zinc/51/81/14/510518114.db2.gz ZNEOXDJUFPOKJX-VWLOTQADSA-N 0 0 359.495 2.832 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cccc(N3CCCNC3=O)c2)c1O ZINC000266349368 510532712 /nfs/dbraw/zinc/53/27/12/510532712.db2.gz DLQRKZADHSGBMN-UHFFFAOYSA-N 0 0 370.409 2.642 20 10 FFCDRN CC(C)(C)n1cc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)nn1 ZINC000191234478 510560530 /nfs/dbraw/zinc/56/05/30/510560530.db2.gz WKIXLODLEHWLDS-DHZHZOJOSA-N 0 0 366.381 2.596 20 10 FFCDRN COC(=O)CCNC(=O)c1ccc(NCc2cc(C)c(C)cc2O)cc1 ZINC000195083909 510663007 /nfs/dbraw/zinc/66/30/07/510663007.db2.gz GMGBSTIBBMKRFH-UHFFFAOYSA-N 0 0 356.422 2.914 20 10 FFCDRN C[C@@H]1CC[C@@H](CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)O1 ZINC000175529364 510671534 /nfs/dbraw/zinc/67/15/34/510671534.db2.gz YPEYFHVEPVULSD-UZLBHIALSA-N 0 0 360.498 2.859 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccc(N3CCCCC3)nc2)c1O ZINC000266639295 510703544 /nfs/dbraw/zinc/70/35/44/510703544.db2.gz DATOUBVWRNJWOB-UHFFFAOYSA-N 0 0 370.453 2.786 20 10 FFCDRN COc1cccc(O[C@H](C)CNC(=O)NCc2cccc(OC)c2O)c1 ZINC000266737791 510757594 /nfs/dbraw/zinc/75/75/94/510757594.db2.gz BFMMOXQDAPMLHZ-CYBMUJFWSA-N 0 0 360.410 2.676 20 10 FFCDRN C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000185350742 510818583 /nfs/dbraw/zinc/81/85/83/510818583.db2.gz MVKDQPRUKCPAIQ-DNVCBOLYSA-N 0 0 372.440 2.652 20 10 FFCDRN CCOCCO[C@@H](C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000175843930 510819828 /nfs/dbraw/zinc/81/98/28/510819828.db2.gz CVFPMAHLIIXGTD-LBPRGKRZSA-N 0 0 374.275 2.945 20 10 FFCDRN Cc1ocnc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000360187712 510881594 /nfs/dbraw/zinc/88/15/94/510881594.db2.gz MIBPNDOQAWXLAV-UHFFFAOYSA-N 0 0 351.353 2.983 20 10 FFCDRN CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(N)cc1 ZINC000297306934 510895696 /nfs/dbraw/zinc/89/56/96/510895696.db2.gz VVKPIWMYVNJFDP-KRWDZBQOSA-N 0 0 359.857 2.993 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000275780434 510917247 /nfs/dbraw/zinc/91/72/47/510917247.db2.gz WBLJHHRAEFELCV-UHFFFAOYSA-N 0 0 354.454 2.832 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ncc(C)cc3[N+](=O)[O-])cc2)CC1 ZINC000276308032 510932285 /nfs/dbraw/zinc/93/22/85/510932285.db2.gz MOCWEMRYDZWJOB-UHFFFAOYSA-N 0 0 369.425 2.579 20 10 FFCDRN COCc1cc(NC(=O)NCc2cccc(OC)c2O)cc(C(=O)OC)c1 ZINC000297404810 510932579 /nfs/dbraw/zinc/93/25/79/510932579.db2.gz MUBOOGOHJKDVTL-UHFFFAOYSA-N 0 0 374.393 2.656 20 10 FFCDRN COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000276411559 510938372 /nfs/dbraw/zinc/93/83/72/510938372.db2.gz AZOQOMMHHWJRNG-HOCLYGCPSA-N 0 0 357.406 2.577 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000276495935 510940801 /nfs/dbraw/zinc/94/08/01/510940801.db2.gz BAYVUNRDDGBSPB-LLVKDONJSA-N 0 0 355.394 2.735 20 10 FFCDRN O=C(Nc1ccccc1)C1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276472438 510940806 /nfs/dbraw/zinc/94/08/06/510940806.db2.gz CWIQAWZGLZILQA-UHFFFAOYSA-N 0 0 358.369 2.728 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276907086 510950069 /nfs/dbraw/zinc/95/00/69/510950069.db2.gz OGTXLPTWSLGSIX-YVEFUNNKSA-N 0 0 373.384 2.891 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[S@](=O)C[C@@H](C)C3)c2C)cc1 ZINC000277563139 510965771 /nfs/dbraw/zinc/96/57/71/510965771.db2.gz NJKKSHCYJOLYDV-RXBISOJRSA-N 0 0 374.506 2.943 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000277695037 510968897 /nfs/dbraw/zinc/96/88/97/510968897.db2.gz HHOFNOGKYRLRKK-JTQLQIEISA-N 0 0 370.327 2.795 20 10 FFCDRN C[C@H](O)CC(C)(C)CNC(=O)NCc1cccc(Br)c1O ZINC000277752909 510972395 /nfs/dbraw/zinc/97/23/95/510972395.db2.gz NQNLRDLEHKGOCQ-JTQLQIEISA-N 0 0 359.264 2.751 20 10 FFCDRN COCC1(O)CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1 ZINC000270758554 510976058 /nfs/dbraw/zinc/97/60/58/510976058.db2.gz LPHOAHKZMKIBFC-UHFFFAOYSA-N 0 0 372.465 2.716 20 10 FFCDRN CCc1nnc(NC(=O)NCc2cccc(Br)c2O)s1 ZINC000277997116 510977054 /nfs/dbraw/zinc/97/70/54/510977054.db2.gz JLWXBJGYBMTKGP-UHFFFAOYSA-N 0 0 357.233 2.890 20 10 FFCDRN CSCC(C)(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000282461418 510988492 /nfs/dbraw/zinc/98/84/92/510988492.db2.gz KYOBSNFVPJSMQK-UHFFFAOYSA-N 0 0 354.491 2.792 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(Oc2ncccc2F)CC1 ZINC000278461576 510994219 /nfs/dbraw/zinc/99/42/19/510994219.db2.gz YYZOPDBQJQFZIR-GQCTYLIASA-N 0 0 358.369 2.715 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Cc2cccc(N3CCCC3=O)c2)cc1 ZINC000278624094 511001882 /nfs/dbraw/zinc/00/18/82/511001882.db2.gz XIDNEZNZPMTOLE-UHFFFAOYSA-N 0 0 351.450 2.738 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000294245086 511003915 /nfs/dbraw/zinc/00/39/15/511003915.db2.gz NAVIFHDMTPJDGR-SNVBAGLBSA-N 0 0 372.849 2.944 20 10 FFCDRN COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278860112 511011791 /nfs/dbraw/zinc/01/17/91/511011791.db2.gz LUFWQGFNRZUDMW-YVEFUNNKSA-N 0 0 352.387 2.521 20 10 FFCDRN COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278860071 511011833 /nfs/dbraw/zinc/01/18/33/511011833.db2.gz LUFWQGFNRZUDMW-PXAZEXFGSA-N 0 0 352.387 2.521 20 10 FFCDRN Cc1nc2ccnn2c(C)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000270877265 511013035 /nfs/dbraw/zinc/01/30/35/511013035.db2.gz OXAXNBXKFGGNSE-UHFFFAOYSA-N 0 0 350.422 2.861 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cc2n(n1)CCCC2 ZINC000285829326 511014915 /nfs/dbraw/zinc/01/49/15/511014915.db2.gz AODYNNOPERWJPU-UHFFFAOYSA-N 0 0 360.801 2.547 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)CCc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000294288070 511015171 /nfs/dbraw/zinc/01/51/71/511015171.db2.gz HZMYWTWNGHVRDT-UHFFFAOYSA-N 0 0 365.477 2.975 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCCN(CC(F)(F)F)CC2)cc1OC ZINC000270989024 511048345 /nfs/dbraw/zinc/04/83/45/511048345.db2.gz DOQUJBAEYIQIDB-UHFFFAOYSA-N 0 0 363.336 2.686 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CC)c1ccncc1 ZINC000287490762 511051591 /nfs/dbraw/zinc/05/15/91/511051591.db2.gz XOCIZRMOOOJNIY-QGZVFWFLSA-N 0 0 355.438 2.793 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@H]1[C@H]1CCCC1=O ZINC000271004805 511053165 /nfs/dbraw/zinc/05/31/65/511053165.db2.gz YQUJAXBLCPPYCC-FZTBYCBGSA-N 0 0 368.477 2.897 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCc3noc4c3CCCC4)ccc21 ZINC000287740465 511056748 /nfs/dbraw/zinc/05/67/48/511056748.db2.gz ZRMFXDOHSUMRDJ-UHFFFAOYSA-N 0 0 354.454 2.935 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)c(C)n1-c1ccccc1C ZINC000288116539 511064563 /nfs/dbraw/zinc/06/45/63/511064563.db2.gz JBJCZARJNATJIJ-KRWDZBQOSA-N 0 0 368.481 2.923 20 10 FFCDRN CCn1c(C)nc([N+](=O)[O-])c1NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000288152924 511065823 /nfs/dbraw/zinc/06/58/23/511065823.db2.gz OKBCNGLWKQFIAN-UHFFFAOYSA-N 0 0 373.457 2.940 20 10 FFCDRN Cc1cc(Cl)nc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000282689497 511074074 /nfs/dbraw/zinc/07/40/74/511074074.db2.gz WWYSCCMKJUOHCK-UHFFFAOYSA-N 0 0 374.872 2.879 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCN([C@@H](C)C(F)(F)F)CC2)cc1OC ZINC000271075932 511075353 /nfs/dbraw/zinc/07/53/53/511075353.db2.gz WVUHCNDUZYPMRQ-JTQLQIEISA-N 0 0 363.336 2.685 20 10 FFCDRN COc1ccc(O)c(CNc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1 ZINC000289652895 511107298 /nfs/dbraw/zinc/10/72/98/511107298.db2.gz YDMCIMQNLNXINT-UHFFFAOYSA-N 0 0 350.440 2.572 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)c2nccn2c1 ZINC000294584959 511111023 /nfs/dbraw/zinc/11/10/23/511111023.db2.gz CPDNXKNTBYRGSU-UHFFFAOYSA-N 0 0 366.421 2.726 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H](CCS(C)(=O)=O)c1ccccc1 ZINC000279614947 511146292 /nfs/dbraw/zinc/14/62/92/511146292.db2.gz ZHWFPUISEHKLDR-QGZVFWFLSA-N 0 0 361.463 2.569 20 10 FFCDRN Cc1nnc([C@H]2CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)[nH]1 ZINC000271277103 511147029 /nfs/dbraw/zinc/14/70/29/511147029.db2.gz LCHWFVPICXFXDY-JTQLQIEISA-N 0 0 351.794 2.760 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000294824427 511190714 /nfs/dbraw/zinc/19/07/14/511190714.db2.gz HBLUYKSXRRYSIM-NSHDSACASA-N 0 0 368.405 2.614 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000283133097 511249154 /nfs/dbraw/zinc/24/91/54/511249154.db2.gz GTJVMVDCBPJSEX-DCGLDWPTSA-N 0 0 350.415 2.519 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1COC2(CCCC2)O1 ZINC000271625345 511267934 /nfs/dbraw/zinc/26/79/34/511267934.db2.gz XSMSKQHQYAAOHU-GOSISDBHSA-N 0 0 359.470 2.772 20 10 FFCDRN C[C@H](NCc1nnc2n1CCOC2)c1ccc(N2CCCCC2)c(F)c1 ZINC000365154060 511287371 /nfs/dbraw/zinc/28/73/71/511287371.db2.gz HRLUWWZXARKQHY-AWEZNQCLSA-N 0 0 359.449 2.789 20 10 FFCDRN O=C([N-]C[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)C(F)(F)F ZINC000291696013 511301854 /nfs/dbraw/zinc/30/18/54/511301854.db2.gz YNAHCVULDVPSDU-JTQLQIEISA-N 0 0 350.768 2.936 20 10 FFCDRN COC(=O)c1cnc(S[C@H](C)C(=O)Nc2ccnn2C(C)C)s1 ZINC000295162624 511305742 /nfs/dbraw/zinc/30/57/42/511305742.db2.gz HEEZVUQEAGQMTD-SECBINFHSA-N 0 0 354.457 2.826 20 10 FFCDRN CC(C)(C)C[C@H](O)CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000291719339 511308966 /nfs/dbraw/zinc/30/89/66/511308966.db2.gz BAPFISIZDQAKQI-LJQANCHMSA-N 0 0 362.514 2.699 20 10 FFCDRN COCCCNC(=O)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295241051 511333783 /nfs/dbraw/zinc/33/37/83/511333783.db2.gz DWZZBIBLPDDUSE-UHFFFAOYSA-N 0 0 358.841 2.549 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cccc(C2CCC2)c1 ZINC000291795873 511341081 /nfs/dbraw/zinc/34/10/81/511341081.db2.gz PYRORGFIFXCENN-UHFFFAOYSA-N 0 0 354.406 2.663 20 10 FFCDRN CCn1ccnc1[C@@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298607196 511346302 /nfs/dbraw/zinc/34/63/02/511346302.db2.gz SWCGJVRNJJOLDR-IBGZPJMESA-N 0 0 369.513 2.812 20 10 FFCDRN COC(=O)c1nc([C@H]2CCCN2C(=O)c2cccc(O)c2O)sc1C ZINC000280214765 511377939 /nfs/dbraw/zinc/37/79/39/511377939.db2.gz WVAWEYRSOSZCMF-LLVKDONJSA-N 0 0 362.407 2.627 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)[C@H]1CCCCO1 ZINC000271991065 511393929 /nfs/dbraw/zinc/39/39/29/511393929.db2.gz LWAPPCYUJYEKPQ-QFBILLFUSA-N 0 0 361.486 2.622 20 10 FFCDRN Cc1cccnc1[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(C)C ZINC000283573162 511420610 /nfs/dbraw/zinc/42/06/10/511420610.db2.gz SAKUYROUPSEFLF-GOSISDBHSA-N 0 0 368.481 2.586 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC000283726463 511477236 /nfs/dbraw/zinc/47/72/36/511477236.db2.gz LHLOEFBJYKQDNF-HXUWFJFHSA-N 0 0 363.461 2.947 20 10 FFCDRN COCCC[C@@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000272249387 511479438 /nfs/dbraw/zinc/47/94/38/511479438.db2.gz ZCSWXLPUISYDGC-GFCCVEGCSA-N 0 0 357.834 2.610 20 10 FFCDRN C[C@H]1CCS(=O)(=O)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000280492805 511487115 /nfs/dbraw/zinc/48/71/15/511487115.db2.gz FLNPIJDRLHFMSF-LBPRGKRZSA-N 0 0 364.433 2.780 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1nnc2n1CCCC2 ZINC000283786739 511499129 /nfs/dbraw/zinc/49/91/29/511499129.db2.gz SJJWXBXVJAFAAG-UHFFFAOYSA-N 0 0 357.458 2.832 20 10 FFCDRN COc1cc(OC)cc(OCCCNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000272584826 511499693 /nfs/dbraw/zinc/49/96/93/511499693.db2.gz FJTWHEZGKLUNSN-FNORWQNLSA-N 0 0 373.405 2.714 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)c1O ZINC000292191648 511500640 /nfs/dbraw/zinc/50/06/40/511500640.db2.gz OUDKGAPHERVFKM-INIZCTEOSA-N 0 0 369.421 2.714 20 10 FFCDRN COc1ccc(C(=O)CCC(=O)NCc2ccccc2O)c(OC)c1OC ZINC000273099537 511517783 /nfs/dbraw/zinc/51/77/83/511517783.db2.gz AGQDODBBCHGPKO-UHFFFAOYSA-N 0 0 373.405 2.697 20 10 FFCDRN CSc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)nc1 ZINC000273141545 511518056 /nfs/dbraw/zinc/51/80/56/511518056.db2.gz YBVBPEXDHFBWPL-UHFFFAOYSA-N 0 0 358.467 2.962 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000273158677 511519174 /nfs/dbraw/zinc/51/91/74/511519174.db2.gz JWSHJFYJVRGOAC-CYBMUJFWSA-N 0 0 371.433 2.894 20 10 FFCDRN O=C(CCc1nccs1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000299137060 511528655 /nfs/dbraw/zinc/52/86/55/511528655.db2.gz GLXCADTXFFCFKB-UHFFFAOYSA-N 0 0 359.495 2.601 20 10 FFCDRN COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273522985 511530971 /nfs/dbraw/zinc/53/09/71/511530971.db2.gz UTHBTXXZNRBDJB-CYBMUJFWSA-N 0 0 373.405 2.581 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273608695 511550587 /nfs/dbraw/zinc/55/05/87/511550587.db2.gz VBUGLCMXRKSQFG-GFCCVEGCSA-N 0 0 364.423 2.696 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)cc1 ZINC000280755777 511589989 /nfs/dbraw/zinc/58/99/89/511589989.db2.gz IFAUXZFYESYRSB-UZLBHIALSA-N 0 0 361.486 2.622 20 10 FFCDRN CCOCc1nc([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)no1 ZINC000292449861 511600892 /nfs/dbraw/zinc/60/08/92/511600892.db2.gz OJGVJGYXVFUXGW-CQSZACIVSA-N 0 0 373.457 2.767 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCCO1 ZINC000296089851 511617331 /nfs/dbraw/zinc/61/73/31/511617331.db2.gz ULOWSBFHACHIFR-DOTOQJQBSA-N 0 0 358.442 2.651 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(-c2nc(CC3CCCCC3)no2)c1 ZINC000273925716 511658282 /nfs/dbraw/zinc/65/82/82/511658282.db2.gz RYAPBOLQHQFDNI-UHFFFAOYSA-N 0 0 351.428 2.937 20 10 FFCDRN CSCC[C@@H](NC(=O)NCc1ccccc1O)c1nnc2ccccn21 ZINC000299552556 511662710 /nfs/dbraw/zinc/66/27/10/511662710.db2.gz XWYQXSHHLGFZLE-CQSZACIVSA-N 0 0 371.466 2.729 20 10 FFCDRN COCc1nc2sc(C(=O)NCc3ccccc3O)c(C)c2c(OC)n1 ZINC000299562599 511662756 /nfs/dbraw/zinc/66/27/56/511662756.db2.gz NQWBWGOTCFPQMO-UHFFFAOYSA-N 0 0 373.434 2.790 20 10 FFCDRN C[C@H](c1ccccn1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284304952 511676537 /nfs/dbraw/zinc/67/65/37/511676537.db2.gz VJVCKUVWNQFIOB-MRXNPFEDSA-N 0 0 366.465 2.518 20 10 FFCDRN COc1ccccc1C(=O)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000273985962 511681785 /nfs/dbraw/zinc/68/17/85/511681785.db2.gz LKAGBUSWKAOBEL-MRXNPFEDSA-N 0 0 369.417 2.791 20 10 FFCDRN Cc1cc(C)n(-c2cncc(NCc3ccc(N4CCOCC4)cc3)n2)n1 ZINC000301147248 511689229 /nfs/dbraw/zinc/68/92/29/511689229.db2.gz BKZXYIXGJCJBIR-UHFFFAOYSA-N 0 0 364.453 2.728 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3cc(Cl)nc(C)n3)cc2)CC1 ZINC000302710879 511710827 /nfs/dbraw/zinc/71/08/27/511710827.db2.gz LERAJEXVCWZFPV-UHFFFAOYSA-N 0 0 359.861 2.719 20 10 FFCDRN COC(C)(C)CS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000281080902 511712776 /nfs/dbraw/zinc/71/27/76/511712776.db2.gz BTVXTHOOMIOGKR-UHFFFAOYSA-N 0 0 354.516 2.864 20 10 FFCDRN CNC(=O)COc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c(C)c1 ZINC000281207929 511759323 /nfs/dbraw/zinc/75/93/23/511759323.db2.gz SLIWRGBRMNNJOY-ZDUSSCGKSA-N 0 0 372.421 2.785 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@H](c3ncon3)C2)c(C)n1-c1ccccc1C ZINC000363775885 511760718 /nfs/dbraw/zinc/76/07/18/511760718.db2.gz HRSGNYXEULXILT-SFHVURJKSA-N 0 0 366.421 2.999 20 10 FFCDRN COC(OC)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)o1 ZINC000274564507 511874903 /nfs/dbraw/zinc/87/49/03/511874903.db2.gz ZRWDSRDSSGRCGA-UHFFFAOYSA-N 0 0 374.437 2.680 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000281561447 511890624 /nfs/dbraw/zinc/89/06/24/511890624.db2.gz ZRPZUQATZQTCJK-AEFFLSMTSA-N 0 0 353.422 2.665 20 10 FFCDRN COC1(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000296775781 511893248 /nfs/dbraw/zinc/89/32/48/511893248.db2.gz JXKAXXAQCORRTG-UHFFFAOYSA-N 0 0 361.486 2.624 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(Cl)n1 ZINC000284910198 511923842 /nfs/dbraw/zinc/92/38/42/511923842.db2.gz XIJLPGVFPAAWJF-UHFFFAOYSA-N 0 0 358.829 2.590 20 10 FFCDRN CCC[C@H](CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)OC ZINC000296905750 511945023 /nfs/dbraw/zinc/94/50/23/511945023.db2.gz OPMJWAZOPMDOOK-LJQANCHMSA-N 0 0 363.502 2.510 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCc3c2cccc3F)cc1 ZINC000284976790 511953038 /nfs/dbraw/zinc/95/30/38/511953038.db2.gz KXMIRBHKAAHLFQ-IBGZPJMESA-N 0 0 369.440 2.654 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Cc1cnc2ccccc2n1 ZINC000293407436 511953446 /nfs/dbraw/zinc/95/34/46/511953446.db2.gz HBPBENBUFFOGAO-UONOGXRCSA-N 0 0 365.433 2.967 20 10 FFCDRN Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000293507058 511990545 /nfs/dbraw/zinc/99/05/45/511990545.db2.gz AJDZZNBRXLPZEA-MEDUHNTESA-N 0 0 353.825 2.864 20 10 FFCDRN c1csc([C@H](NCc2ccc(N3CCOCC3)cc2)c2nc[nH]n2)c1 ZINC000293641661 512036700 /nfs/dbraw/zinc/03/67/00/512036700.db2.gz IBRLCZKXHGRLCB-KRWDZBQOSA-N 0 0 355.467 2.582 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000275089538 512038379 /nfs/dbraw/zinc/03/83/79/512038379.db2.gz BTNKPENJCHPPES-UHFFFAOYSA-N 0 0 366.469 2.642 20 10 FFCDRN COc1ccncc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000297170684 512046307 /nfs/dbraw/zinc/04/63/07/512046307.db2.gz BBCMIQBCTZGGNR-QGZVFWFLSA-N 0 0 371.437 2.687 20 10 FFCDRN COc1cccc(C(=O)NC2CC[NH+](Cc3cccc(F)c3[O-])CC2)c1 ZINC000359996791 512061662 /nfs/dbraw/zinc/06/16/62/512061662.db2.gz RVIOSYGPRFLJFJ-UHFFFAOYSA-N 0 0 358.413 2.934 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(N2CCOCC2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000293759302 512075836 /nfs/dbraw/zinc/07/58/36/512075836.db2.gz RDBVGSDTCLZODE-CQSZACIVSA-N 0 0 357.410 2.988 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)cc1 ZINC000378187277 512629774 /nfs/dbraw/zinc/62/97/74/512629774.db2.gz IJSQSMKBYCBNHW-LJQANCHMSA-N 0 0 351.450 2.622 20 10 FFCDRN CCOc1ccc(O)c(CN2CCn3c(Cc4ccccc4)nnc3C2)c1 ZINC000378344714 512706116 /nfs/dbraw/zinc/70/61/16/512706116.db2.gz BXBDJPXQQRCZJL-UHFFFAOYSA-N 0 0 364.449 2.989 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)c(C)n1-c1ccccn1 ZINC000376350421 512779794 /nfs/dbraw/zinc/77/97/94/512779794.db2.gz IMSXWQXQOISTLZ-WMZOPIPTSA-N 0 0 367.449 2.699 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(C)n1-c1ccccn1 ZINC000370666935 513042217 /nfs/dbraw/zinc/04/22/17/513042217.db2.gz JQBZSAMIQYZQAL-IERDGZPVSA-N 0 0 369.465 2.899 20 10 FFCDRN CCCC(=O)N1CCC(C(=O)N2CCOc3cc(N(C)C)ccc32)CC1 ZINC000437008733 514073746 /nfs/dbraw/zinc/07/37/46/514073746.db2.gz VESHRLDKNLOYAA-UHFFFAOYSA-N 0 0 359.470 2.517 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1noc(-c2ccccc2)n1 ZINC000433359949 514471116 /nfs/dbraw/zinc/47/11/16/514471116.db2.gz CSICRYSPASJPET-UHFFFAOYSA-N 0 0 350.378 2.842 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(N2CCNC2=O)cc1 ZINC000471223855 514805084 /nfs/dbraw/zinc/80/50/84/514805084.db2.gz KJVSPKNWSJPAEV-UHFFFAOYSA-N 0 0 362.433 2.946 20 10 FFCDRN COCCOc1ncccc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471230639 514806998 /nfs/dbraw/zinc/80/69/98/514806998.db2.gz UWZYSWRHIMLGJF-UHFFFAOYSA-N 0 0 353.422 2.837 20 10 FFCDRN CC(C)(C)n1cnc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000462013000 514830667 /nfs/dbraw/zinc/83/06/67/514830667.db2.gz CXHQFCBIAHFOLM-UHFFFAOYSA-N 0 0 369.450 2.502 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCC(=O)Nc1ccccc1 ZINC000471667547 514977501 /nfs/dbraw/zinc/97/75/01/514977501.db2.gz KQWKLWWJJQXGNX-UHFFFAOYSA-N 0 0 350.422 2.925 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C(=O)NCc1ccco1 ZINC000471770487 515007179 /nfs/dbraw/zinc/00/71/79/515007179.db2.gz JYIRGWWZOONFCH-CQSZACIVSA-N 0 0 368.437 2.584 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCc1cccc(C)c1 ZINC000477913445 515637777 /nfs/dbraw/zinc/63/77/77/515637777.db2.gz VZIHURXUEJYRSW-UHFFFAOYSA-N 0 0 363.461 2.770 20 10 FFCDRN COC(=O)c1cncc(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000469908407 516026550 /nfs/dbraw/zinc/02/65/50/516026550.db2.gz POYDQPQTECWGQV-UHFFFAOYSA-N 0 0 352.394 2.990 20 10 FFCDRN COC(=O)c1ccccc1CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000535404987 516341193 /nfs/dbraw/zinc/34/11/93/516341193.db2.gz SPYARXCRYXRIGF-UHFFFAOYSA-N 0 0 368.433 2.897 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)n(C3CCOCC3)n2)c1 ZINC000528858940 516755014 /nfs/dbraw/zinc/75/50/14/516755014.db2.gz FFCUURZXFNYTMW-CYBMUJFWSA-N 0 0 359.426 2.748 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCc2cc(F)ccc21 ZINC000555253322 516849777 /nfs/dbraw/zinc/84/97/77/516849777.db2.gz ZKURTRFHRFTOJL-UHFFFAOYSA-N 0 0 365.408 2.831 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(NC(=O)C2CC2)c1 ZINC000552034659 517041361 /nfs/dbraw/zinc/04/13/61/517041361.db2.gz WOOKREXXVGMHEF-UHFFFAOYSA-N 0 0 366.421 2.535 20 10 FFCDRN COc1ccc([C@H](C2CC2)N2C(=O)CN(Cc3ccccc3O)C2=O)cn1 ZINC000530210021 517632794 /nfs/dbraw/zinc/63/27/94/517632794.db2.gz KGBNRNDOQUNQPF-IBGZPJMESA-N 0 0 367.405 2.711 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc3cn(C)nc3c2)c1 ZINC000528169212 518129999 /nfs/dbraw/zinc/12/99/99/518129999.db2.gz CQVVOKLENGDHJH-LBPRGKRZSA-N 0 0 354.410 2.848 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@@H]2[C@@H](C)O)CCCC1 ZINC000618910920 521292188 /nfs/dbraw/zinc/29/21/88/521292188.db2.gz YTQWQXDRZYETJC-RDTXWAMCSA-N 0 0 356.466 2.901 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCn4cncc4C3)ccc21 ZINC000623304603 521927125 /nfs/dbraw/zinc/92/71/25/521927125.db2.gz AYTKNMVXXQEYCP-QGZVFWFLSA-N 0 0 366.465 2.846 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=S)Nc1ccccc1-c1nn[nH]n1 ZINC000737269338 599014774 /nfs/dbraw/zinc/01/47/74/599014774.db2.gz DKSMGHBXKIWOGA-UHFFFAOYSA-N 0 0 367.482 2.728 20 10 FFCDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1c(O)ccc2c1CCCC2 ZINC000823629916 599062819 /nfs/dbraw/zinc/06/28/19/599062819.db2.gz LUKDEKIYSALVRF-UHFFFAOYSA-N 0 0 366.381 2.971 20 10 FFCDRN Cc1cc(C(=O)Nc2cccnc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737238576 598609808 /nfs/dbraw/zinc/60/98/08/598609808.db2.gz PMEHMOQDQNGXTF-UHFFFAOYSA-N 0 0 359.393 2.922 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235021 598610622 /nfs/dbraw/zinc/61/06/22/598610622.db2.gz QCOAUBPAWWUDFS-NHYWBVRUSA-N 0 0 350.426 2.660 20 10 FFCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)o2)SC(=S)N1Cc1ccccc1 ZINC000823505332 599309628 /nfs/dbraw/zinc/30/96/28/599309628.db2.gz ZYQKAUMGAHEMMF-JYRVWZFOSA-N 0 0 369.431 2.861 20 10 FFCDRN COc1cccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1O ZINC000833735036 604636989 /nfs/dbraw/zinc/63/69/89/604636989.db2.gz AVPRSHVLOROREQ-UHFFFAOYSA-N 0 0 351.786 2.847 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000821838884 606347907 /nfs/dbraw/zinc/34/79/07/606347907.db2.gz QXYACUUURQNWGJ-VIFPVBQESA-N 0 0 372.360 2.603 20 10 FFCDRN Cc1cc(C(=O)NC2CC(C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822167896 606578261 /nfs/dbraw/zinc/57/82/61/606578261.db2.gz JUPXPLALFVFPEF-UHFFFAOYSA-N 0 0 350.426 2.803 20 10 FFCDRN Cc1ccc(-c2nn[nH]n2)c(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000822215197 607227684 /nfs/dbraw/zinc/22/76/84/607227684.db2.gz PUSWGIVYVPJIMO-UHFFFAOYSA-N 0 0 367.482 2.735 20 10 FFCDRN O=C(C=Cc1ccc(Cl)nc1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826399615 607996166 /nfs/dbraw/zinc/99/61/66/607996166.db2.gz ALYNJIULKMAGFD-QHHAFSJGSA-N 0 0 352.785 2.518 20 10 FFCDRN Cc1ccc(C(=O)N(Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)c(O)c1O ZINC000826281906 609215304 /nfs/dbraw/zinc/21/53/04/609215304.db2.gz PAVBMAVZYOEJKC-UHFFFAOYSA-N 0 0 367.409 2.637 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000152517798 728760381 /nfs/dbraw/zinc/76/03/81/728760381.db2.gz SACCTZNKIDMGGT-QFBILLFUSA-N 0 0 363.527 2.915 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000152929751 728768944 /nfs/dbraw/zinc/76/89/44/728768944.db2.gz KHBWRLYWUWJBTH-JTQLQIEISA-N 0 0 368.450 2.561 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000154577998 728807432 /nfs/dbraw/zinc/80/74/32/728807432.db2.gz WXCSRKHTHLEVBR-UWVGGRQHSA-N 0 0 369.434 2.723 20 10 FFCDRN O=C(COc1ccc(Br)cc1)NCc1ccc(O)c(O)c1 ZINC000158967044 728898141 /nfs/dbraw/zinc/89/81/41/728898141.db2.gz UDABUKBDFCHUMF-UHFFFAOYSA-N 0 0 352.184 2.556 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N(C)C[C@H]2CCC[C@H]2O)cc1F ZINC000161028423 728928566 /nfs/dbraw/zinc/92/85/66/728928566.db2.gz PPYDVBYRMNTXQV-CRAIPNDOSA-N 0 0 351.466 2.974 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000743336833 735289720 /nfs/dbraw/zinc/28/97/20/735289720.db2.gz NXDPDRMMELEAJS-VXGBXAGGSA-N 0 0 352.431 2.881 20 10 FFCDRN Cn1nc(CNCc2ccc(N3CCOCC3)cc2)cc1C(F)(F)F ZINC000898022079 735304036 /nfs/dbraw/zinc/30/40/36/735304036.db2.gz AHZXIZSOBZMWSR-UHFFFAOYSA-N 0 0 354.376 2.565 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H](C)S1 ZINC000743553124 735305417 /nfs/dbraw/zinc/30/54/17/735305417.db2.gz CYOXKSOTNAAHGE-OKILXGFUSA-N 0 0 367.490 2.698 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H](CCO)C1 ZINC000745592008 735431287 /nfs/dbraw/zinc/43/12/87/735431287.db2.gz FQNHVFQQNJAEKH-QGZVFWFLSA-N 0 0 363.527 2.544 20 10 FFCDRN COC(=O)CNC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000042860043 727965059 /nfs/dbraw/zinc/96/50/59/727965059.db2.gz COKDNNXPOZMWPY-UHFFFAOYSA-N 0 0 365.227 2.759 20 10 FFCDRN O=C(NCc1ccc(O)cc1)NCc1ccc(N2CCSCC2)cc1 ZINC000045529944 728003895 /nfs/dbraw/zinc/00/38/95/728003895.db2.gz HKCGKCDAXUZMPT-UHFFFAOYSA-N 0 0 357.479 2.945 20 10 FFCDRN CS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000047232964 728028696 /nfs/dbraw/zinc/02/86/96/728028696.db2.gz FYWOVULTSCJGOP-UHFFFAOYSA-N 0 0 359.451 2.911 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C2(S(C)(=O)=O)CCCC2)cc1F ZINC000066840997 728178460 /nfs/dbraw/zinc/17/84/60/728178460.db2.gz IGXMEAZGNNUGCA-UHFFFAOYSA-N 0 0 370.490 2.646 20 10 FFCDRN Cc1cc(C(=O)CN(C)CCS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000076304485 728259625 /nfs/dbraw/zinc/25/96/25/728259625.db2.gz RCRPZPBLMIVCTL-UHFFFAOYSA-N 0 0 362.495 2.562 20 10 FFCDRN CN(CC(=O)NCCCSc1nccs1)c1ccccc1[N+](=O)[O-] ZINC000080245280 728324015 /nfs/dbraw/zinc/32/40/15/728324015.db2.gz AKKGHMIKZYORGP-UHFFFAOYSA-N 0 0 366.468 2.786 20 10 FFCDRN CCC[C@@](C)(CO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000086367674 728432173 /nfs/dbraw/zinc/43/21/73/728432173.db2.gz VCMWNUJGLBUPCQ-SFHVURJKSA-N 0 0 351.516 2.590 20 10 FFCDRN CN(Cc1nnnn1-c1ccccc1Br)Cc1ccccc1O ZINC000111235356 728535434 /nfs/dbraw/zinc/53/54/34/728535434.db2.gz ICERIWXIFTXJQF-UHFFFAOYSA-N 0 0 374.242 2.762 20 10 FFCDRN Cc1cc(C(=O)CN2CCS(=O)CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000111224415 728535492 /nfs/dbraw/zinc/53/54/92/728535492.db2.gz HLQNAEUTJGYNPU-UHFFFAOYSA-N 0 0 358.507 2.958 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC000114375958 728560022 /nfs/dbraw/zinc/56/00/22/728560022.db2.gz IXLNCXOZSMOPQN-UHFFFAOYSA-N 0 0 368.396 2.872 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1csc(-c2ncccn2)n1 ZINC000115280172 728564601 /nfs/dbraw/zinc/56/46/01/728564601.db2.gz GTOXZBZSCIAEHS-UHFFFAOYSA-N 0 0 353.451 2.905 20 10 FFCDRN Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115280424 728564853 /nfs/dbraw/zinc/56/48/53/728564853.db2.gz KHQZRNQLUGYETH-UHFFFAOYSA-N 0 0 360.479 2.703 20 10 FFCDRN C[C@H]1Cc2cc(S(=O)(=O)NCCCSc3nccs3)ccc2O1 ZINC000117365218 728578262 /nfs/dbraw/zinc/57/82/62/728578262.db2.gz YXSSZAKMEUBMDV-NSHDSACASA-N 0 0 370.521 2.927 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCC(C)(C)C(=O)OC)cc1F ZINC000120242919 728608373 /nfs/dbraw/zinc/60/83/73/728608373.db2.gz KOJDRWJQDNBMTD-UHFFFAOYSA-N 0 0 353.438 2.670 20 10 FFCDRN Oc1cccc(Cl)c1CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000120864688 728616346 /nfs/dbraw/zinc/61/63/46/728616346.db2.gz TYQOFILQUZVZDJ-UHFFFAOYSA-N 0 0 356.804 2.955 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000121792703 728639207 /nfs/dbraw/zinc/63/92/07/728639207.db2.gz LWMGPFQDPCMJDY-OAHLLOKOSA-N 0 0 360.479 2.662 20 10 FFCDRN CCOC(=O)CSc1cncc(NCc2ccc(N(C)C)c(F)c2)n1 ZINC000123923773 728664819 /nfs/dbraw/zinc/66/48/19/728664819.db2.gz WWIRRXKLNVWSLF-UHFFFAOYSA-N 0 0 364.446 2.949 20 10 FFCDRN Cn1cnnc1-c1ccc(NCc2cccc(Br)c2O)nc1 ZINC000123993884 728665605 /nfs/dbraw/zinc/66/56/05/728665605.db2.gz PVXJNQYUEOUWHA-UHFFFAOYSA-N 0 0 360.215 2.957 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc(Cl)c1F ZINC000134612369 728731419 /nfs/dbraw/zinc/73/14/19/728731419.db2.gz PLCBFFYMOZGTSE-SECBINFHSA-N 0 0 366.776 2.576 20 10 FFCDRN CCC(=O)c1cccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000163004250 728952095 /nfs/dbraw/zinc/95/20/95/728952095.db2.gz CZJVTUGQJUWTLS-UHFFFAOYSA-N 0 0 364.442 2.963 20 10 FFCDRN CCN(CC(=O)NC(C)C)C(=O)CSc1ncc(C(C)(C)C)s1 ZINC000164190312 728964821 /nfs/dbraw/zinc/96/48/21/728964821.db2.gz YMVJZBFLJMGTFS-UHFFFAOYSA-N 0 0 357.545 2.906 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2csc(-c3cnccn3)n2)c1 ZINC000170900416 728991587 /nfs/dbraw/zinc/99/15/87/728991587.db2.gz PCSUGALXZWXSGH-JTQLQIEISA-N 0 0 356.407 2.805 20 10 FFCDRN CC(C)[C@@H](C)CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000172477588 729026635 /nfs/dbraw/zinc/02/66/35/729026635.db2.gz WGFJEMWMNRHIQG-AWEZNQCLSA-N 0 0 351.466 2.878 20 10 FFCDRN CC(C)(C)OC(=O)CSCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172829213 729033126 /nfs/dbraw/zinc/03/31/26/729033126.db2.gz NMTLYNKCSASASL-UHFFFAOYSA-N 0 0 364.511 2.978 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(-n2cc[nH]c2=S)cc1 ZINC000179087120 729177528 /nfs/dbraw/zinc/17/75/28/729177528.db2.gz RMVHUUNFSZIVBU-UHFFFAOYSA-N 0 0 355.419 2.545 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cn(C(C)C)cn2)cc1 ZINC000179214742 729180298 /nfs/dbraw/zinc/18/02/98/729180298.db2.gz CKPXOVSZYGSGAS-UHFFFAOYSA-N 0 0 350.488 2.789 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)c1O ZINC000180061369 729202581 /nfs/dbraw/zinc/20/25/81/729202581.db2.gz ZXQBCDRRYOMFCI-UHFFFAOYSA-N 0 0 370.739 2.587 20 10 FFCDRN CCS(=O)(=O)CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000181581048 729252027 /nfs/dbraw/zinc/25/20/27/729252027.db2.gz GGYZUUUHIYIDJL-HNNXBMFYSA-N 0 0 361.463 2.917 20 10 FFCDRN O=C(c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1F)N1CCCC1 ZINC000182406683 729277035 /nfs/dbraw/zinc/27/70/35/729277035.db2.gz FDCMVAREFHCTOQ-UHFFFAOYSA-N 0 0 364.398 2.568 20 10 FFCDRN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc(O)cc3F)cc21 ZINC000184614255 729329748 /nfs/dbraw/zinc/32/97/48/729329748.db2.gz LBPXRCXJUUTJSL-UHFFFAOYSA-N 0 0 364.398 2.631 20 10 FFCDRN O=C(Nc1cnns1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000192338778 729423711 /nfs/dbraw/zinc/42/37/11/729423711.db2.gz ZULXSHLJNRHPDQ-JTQLQIEISA-N 0 0 369.397 2.930 20 10 FFCDRN O=C1N[C@H](c2cccc(Cl)c2O)Nc2ccc(N3CCOCC3)cc21 ZINC000193508606 729481269 /nfs/dbraw/zinc/48/12/69/729481269.db2.gz QLQRMKLNSMIALM-QGZVFWFLSA-N 0 0 359.813 2.736 20 10 FFCDRN O=C(NC1CCSCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000195469688 729539478 /nfs/dbraw/zinc/53/94/78/729539478.db2.gz XOHBKWXRZWELHR-MRXNPFEDSA-N 0 0 350.484 2.978 20 10 FFCDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000246754392 729590049 /nfs/dbraw/zinc/59/00/49/729590049.db2.gz XPGWPARLBCMHIL-TVNGFYNWSA-N 0 0 368.499 2.841 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1nn(C)cc1Br ZINC000293425047 729720819 /nfs/dbraw/zinc/72/08/19/729720819.db2.gz TVDCRZKBXPZRTM-UHFFFAOYSA-N 0 0 365.275 2.911 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1(C(F)(F)F)CCC1 ZINC000856216081 730316548 /nfs/dbraw/zinc/31/65/48/730316548.db2.gz RTTRGSSMWDXMRE-UHFFFAOYSA-N 0 0 356.388 2.997 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](O)c1c(F)cccc1Cl ZINC000779528392 738468783 /nfs/dbraw/zinc/46/87/83/738468783.db2.gz HOGSDPOACXHVFS-PKYBCLHXSA-N 0 0 351.761 2.753 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3C[C@]3(C)Br)CC2)cc1 ZINC000858128600 730417314 /nfs/dbraw/zinc/41/73/14/730417314.db2.gz VBAKTOHFBOHZAY-ZBFHGGJFSA-N 0 0 353.260 2.517 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000858154969 730418095 /nfs/dbraw/zinc/41/80/95/730418095.db2.gz WZHAKEAXRHTCLK-FUHWJXTLSA-N 0 0 361.511 2.607 20 10 FFCDRN Cn1ncc(C(F)(F)F)c1CNC(=O)NCc1cc(Cl)ccc1O ZINC000858686771 730431555 /nfs/dbraw/zinc/43/15/55/730431555.db2.gz VQGQJMWEJRTPKD-UHFFFAOYSA-N 0 0 362.739 2.797 20 10 FFCDRN CCC(F)(F)CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000858801475 730433942 /nfs/dbraw/zinc/43/39/42/730433942.db2.gz HQLLLSGKQBNKCL-UHFFFAOYSA-N 0 0 359.392 2.631 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000858827172 730434392 /nfs/dbraw/zinc/43/43/92/730434392.db2.gz WXCQAXPHEQBFMO-UHFFFAOYSA-N 0 0 364.467 2.720 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C1CC(O)(c2cccc(Cl)c2)C1 ZINC000860235314 730492153 /nfs/dbraw/zinc/49/21/53/730492153.db2.gz QZRGSLKETJCRFR-UHFFFAOYSA-N 0 0 361.825 2.708 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000860606116 730529470 /nfs/dbraw/zinc/52/94/70/730529470.db2.gz SKCFUXIUVLARIZ-RHPZDQPFSA-N 0 0 369.845 2.607 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CC2(CCC2)CO1 ZINC000925119993 738479549 /nfs/dbraw/zinc/47/95/49/738479549.db2.gz HMEPPUDCEYYLPN-CQSZACIVSA-N 0 0 364.829 2.769 20 10 FFCDRN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000861490690 730617256 /nfs/dbraw/zinc/61/72/56/730617256.db2.gz YOJYBCZORDUHDU-LBPRGKRZSA-N 0 0 352.431 2.663 20 10 FFCDRN CC(C)[C@H](NC=O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000861537996 730622444 /nfs/dbraw/zinc/62/24/44/730622444.db2.gz JZESVNPUNQTDLL-KDOFPFPSSA-N 0 0 365.905 2.963 20 10 FFCDRN COc1cccc(NC(=O)C(=O)NCCCSc2nccs2)c1C ZINC000861771107 730640295 /nfs/dbraw/zinc/64/02/95/730640295.db2.gz HJFTZTBGSQCZPA-UHFFFAOYSA-N 0 0 365.480 2.697 20 10 FFCDRN Oc1cccc(Br)c1CN1CC(O)(c2ccc(F)cc2)C1 ZINC000862357220 730691186 /nfs/dbraw/zinc/69/11/86/730691186.db2.gz PZYKDTYATMWZNX-UHFFFAOYSA-N 0 0 352.203 2.997 20 10 FFCDRN CS(=O)(=O)[C@@H]1CCCN(Cc2c(O)cccc2Br)CC1 ZINC000862356561 730691239 /nfs/dbraw/zinc/69/12/39/730691239.db2.gz LDKOZXYAHZSXOM-LLVKDONJSA-N 0 0 362.289 2.554 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccsc1Br ZINC000863180569 730753904 /nfs/dbraw/zinc/75/39/04/730753904.db2.gz CVKWHTHLJDJTIS-CLFYSBASSA-N 0 0 359.270 2.813 20 10 FFCDRN CCOCc1cc(C[NH2+]CCc2nc(C(=O)[O-])cs2)ccc1OC ZINC000864524254 730856575 /nfs/dbraw/zinc/85/65/75/730856575.db2.gz SPSQUJWHBZXFDU-UHFFFAOYSA-N 0 0 350.440 2.719 20 10 FFCDRN CN(C)c1cc(F)c(CNCc2c(Br)cnn2C)cc1F ZINC000865681118 730984928 /nfs/dbraw/zinc/98/49/28/730984928.db2.gz SAPSTZKSGCCFFF-UHFFFAOYSA-N 0 0 359.218 2.817 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3cccnc3Cl)CC2)cc1F ZINC000866459052 731062799 /nfs/dbraw/zinc/06/27/99/731062799.db2.gz GEKBQYTVWPFZOS-UHFFFAOYSA-N 0 0 363.820 2.774 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)c1ccc(F)cc1[O-] ZINC000866491993 731066165 /nfs/dbraw/zinc/06/61/65/731066165.db2.gz BQCGLLGGDRUAAN-HZUKXOBISA-N 0 0 354.422 2.552 20 10 FFCDRN CC1CCC(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000866582059 731076724 /nfs/dbraw/zinc/07/67/24/731076724.db2.gz GCUCNDZGLQFYNX-UHFFFAOYSA-N 0 0 352.500 2.521 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)OCCC(F)(F)F ZINC000866833249 731106398 /nfs/dbraw/zinc/10/63/98/731106398.db2.gz LVISVZRRUXRZNU-UHFFFAOYSA-N 0 0 364.339 2.965 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N=S(C)(C)=O)cc1 ZINC000867302402 731167556 /nfs/dbraw/zinc/16/75/56/731167556.db2.gz OYZCKDSKWHRCJD-GFCCVEGCSA-N 0 0 362.451 2.818 20 10 FFCDRN C[C@H](CNC(=O)N[C@H](C)c1ccccc1O)CNC(=O)OC(C)(C)C ZINC000868431011 731291475 /nfs/dbraw/zinc/29/14/75/731291475.db2.gz VSCCPGZUUOZEGF-CHWSQXEVSA-N 0 0 351.447 2.913 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccoc3Cl)CC2)c(OC)c1 ZINC000870167866 731478698 /nfs/dbraw/zinc/47/86/98/731478698.db2.gz SEQDCOQCJSVQCQ-UHFFFAOYSA-N 0 0 350.802 2.913 20 10 FFCDRN O=C(N1Cc2cccc(O)c2C1)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000871198752 731605247 /nfs/dbraw/zinc/60/52/47/731605247.db2.gz OGOBNEZUPRFLEU-IBGZPJMESA-N 0 0 352.415 2.863 20 10 FFCDRN CC(C)(C)OC(=O)N1CSC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871200928 731605609 /nfs/dbraw/zinc/60/56/09/731605609.db2.gz NIQVVLWDTJCOGT-CYBMUJFWSA-N 0 0 350.440 2.544 20 10 FFCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)n1cc(Br)cn1 ZINC000871206185 731606006 /nfs/dbraw/zinc/60/60/06/731606006.db2.gz VNWCBZYHYHOIKJ-SNVBAGLBSA-N 0 0 350.216 2.845 20 10 FFCDRN C[C@@H](NC(=O)C(=O)Nc1nc2c(s1)CCCCC2)c1ccccc1O ZINC000874191546 732023701 /nfs/dbraw/zinc/02/37/01/732023701.db2.gz JRVRUORCXZMDNR-LLVKDONJSA-N 0 0 359.451 2.934 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)/C=C3\SCC(=O)N3C)cc2)CC1 ZINC000874446066 732058685 /nfs/dbraw/zinc/05/86/85/732058685.db2.gz WBUUBQKAMPQRDK-ODLFYWEKSA-N 0 0 359.495 2.586 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](C(F)(F)F)CC1 ZINC000875301090 732142048 /nfs/dbraw/zinc/14/20/48/732142048.db2.gz LWZVYILOSNBMJD-HNNXBMFYSA-N 0 0 359.392 2.924 20 10 FFCDRN CC(C)(C)OC(=O)NCCCCCC(=O)NCc1ccc(O)c(O)c1 ZINC000780936689 738589608 /nfs/dbraw/zinc/58/96/08/738589608.db2.gz SBVFTBUPMPTIMC-UHFFFAOYSA-N 0 0 352.431 2.799 20 10 FFCDRN Cc1ccc(C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])c(O)c1O ZINC000781019570 738594004 /nfs/dbraw/zinc/59/40/04/738594004.db2.gz FQIWJQMJGKWMNN-UHFFFAOYSA-N 0 0 350.758 2.940 20 10 FFCDRN OC1CCN(c2ccc(CNCc3ccc(Cl)nn3)cc2F)CC1 ZINC000876966716 732304618 /nfs/dbraw/zinc/30/46/18/732304618.db2.gz YSHGSFJMCVHHKH-UHFFFAOYSA-N 0 0 350.825 2.520 20 10 FFCDRN Cc1cccc(O)c1CN1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000877650523 732406164 /nfs/dbraw/zinc/40/61/64/732406164.db2.gz RVMZMJVKZKKRCX-IBGZPJMESA-N 0 0 361.463 2.678 20 10 FFCDRN COc1cc(N(C)C[C@H]2CCC3(CCOCC3)O2)cc(OC)c1OC ZINC000878130458 732486701 /nfs/dbraw/zinc/48/67/01/732486701.db2.gz YYTKZFPOAAPDEJ-OAHLLOKOSA-N 0 0 351.443 2.877 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cc(C(F)F)n[nH]3)CC2)cc1 ZINC000878346313 732517793 /nfs/dbraw/zinc/51/77/93/732517793.db2.gz HNSCGEPYOBUYAU-UHFFFAOYSA-N 0 0 350.369 2.708 20 10 FFCDRN Cc1nc(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cs1 ZINC000879016228 732631974 /nfs/dbraw/zinc/63/19/74/732631974.db2.gz KVJGTMLAOHSTGI-UHFFFAOYSA-N 0 0 368.409 2.888 20 10 FFCDRN Cc1cc2cc[nH]c2cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000781537495 738635149 /nfs/dbraw/zinc/63/51/49/738635149.db2.gz FIQAICQVJHMEJD-UHFFFAOYSA-N 0 0 359.407 2.806 20 10 FFCDRN CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781909669 738671058 /nfs/dbraw/zinc/67/10/58/738671058.db2.gz JWMHVNYCHSMUIY-ZDUSSCGKSA-N 0 0 355.276 2.763 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000781905948 738670082 /nfs/dbraw/zinc/67/00/82/738670082.db2.gz SAOASAZFNNVESE-KBPBESRZSA-N 0 0 353.260 2.706 20 10 FFCDRN O=S(=O)(CC[C@@H]1CCCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000881785222 733108239 /nfs/dbraw/zinc/10/82/39/733108239.db2.gz DBNGUEISASJULC-SFHVURJKSA-N 0 0 352.500 2.665 20 10 FFCDRN COC(=O)COc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 ZINC000782179721 738695369 /nfs/dbraw/zinc/69/53/69/738695369.db2.gz ILXWQHFXLYVEPK-RVDMUPIBSA-N 0 0 360.435 2.695 20 10 FFCDRN NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000883016162 733321124 /nfs/dbraw/zinc/32/11/24/733321124.db2.gz PJGFBCVDDFMFID-KCJUWKMLSA-N 0 0 361.667 2.942 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000883146443 733342321 /nfs/dbraw/zinc/34/23/21/733342321.db2.gz NDKJNXQUYDEYSQ-ZANVPECISA-N 0 0 364.667 2.685 20 10 FFCDRN CC(C)(C[NH2+]Cc1cc(Br)cc(F)c1[O-])[C@]1(O)CCOC1 ZINC000883152799 733343260 /nfs/dbraw/zinc/34/32/60/733343260.db2.gz HQPHVHDMMYAHTJ-HNNXBMFYSA-N 0 0 362.239 2.561 20 10 FFCDRN CS(=O)(=O)CCOc1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000883165394 733345488 /nfs/dbraw/zinc/34/54/88/733345488.db2.gz DCYRKQJXQDWYHS-UHFFFAOYSA-N 0 0 357.378 2.706 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H](CO)Cc1ccoc1 ZINC000883272202 733357779 /nfs/dbraw/zinc/35/77/79/733357779.db2.gz GSFDMSJRVGEPIO-NSHDSACASA-N 0 0 358.207 2.828 20 10 FFCDRN C[C@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782470448 738724548 /nfs/dbraw/zinc/72/45/48/738724548.db2.gz QOCYFXSRMILRJS-JTQLQIEISA-N 0 0 350.754 2.945 20 10 FFCDRN O=C(NCc1nc2c(s1)COCC2)c1cc2cc(O)c(O)cc2s1 ZINC000885968438 733734814 /nfs/dbraw/zinc/73/48/14/733734814.db2.gz NKIJXIABYHOGNH-UHFFFAOYSA-N 0 0 362.432 2.772 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])O2)CO1 ZINC000886333742 733774911 /nfs/dbraw/zinc/77/49/11/733774911.db2.gz MQVZDBFDIWBHHZ-ZXIHIIQKSA-N 0 0 356.806 2.770 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccnc(C)c2Br)c1O ZINC000782859393 738760081 /nfs/dbraw/zinc/76/00/81/738760081.db2.gz HIYIXXMMBRIVDS-UHFFFAOYSA-N 0 0 366.215 2.610 20 10 FFCDRN CC(C)OC(=O)C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000888565455 734072620 /nfs/dbraw/zinc/07/26/20/734072620.db2.gz KHIOEROIDCZYKG-UHFFFAOYSA-N 0 0 371.528 2.999 20 10 FFCDRN C[C@@H]1CO[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000888857904 734106675 /nfs/dbraw/zinc/10/66/75/734106675.db2.gz JLUWRHCMUHRJJI-BLLLJJGKSA-N 0 0 354.397 2.798 20 10 FFCDRN CCn1cc(Cl)c(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000889574556 734194413 /nfs/dbraw/zinc/19/44/13/734194413.db2.gz KQAPVJCRSAKUKV-LBPRGKRZSA-N 0 0 363.849 2.965 20 10 FFCDRN CCn1cc(Cl)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000889613756 734199808 /nfs/dbraw/zinc/19/98/08/734199808.db2.gz LYRWDJZQDDHVJE-UHFFFAOYSA-N 0 0 363.849 2.715 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)NC1CCC2(COC2)CC1 ZINC000890210134 734274182 /nfs/dbraw/zinc/27/41/82/734274182.db2.gz WMUHJBVXNAFJDM-UHFFFAOYSA-N 0 0 369.259 2.913 20 10 FFCDRN Cc1ccc(C(=O)O[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c(O)c1O ZINC000783343715 738801120 /nfs/dbraw/zinc/80/11/20/738801120.db2.gz JGFNOGTVIPHTIG-NSHDSACASA-N 0 0 350.392 2.728 20 10 FFCDRN CC(C)C(=O)Nc1nc(CC(=O)NCc2cccc(Cl)c2O)cs1 ZINC000890757454 734336297 /nfs/dbraw/zinc/33/62/97/734336297.db2.gz DSUKCSJDRDYYKW-UHFFFAOYSA-N 0 0 367.858 2.956 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCc3cccc(Cl)c3O)[C@H]2C1 ZINC000890759149 734336632 /nfs/dbraw/zinc/33/66/32/734336632.db2.gz DXJBVZPQVTXVHJ-IMRBUKKESA-N 0 0 366.845 2.775 20 10 FFCDRN CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759435 734336944 /nfs/dbraw/zinc/33/69/44/734336944.db2.gz BNXPJHHZRSFZAX-CQSZACIVSA-N 0 0 367.877 2.739 20 10 FFCDRN CS(=O)(=O)CCCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708159552 734362612 /nfs/dbraw/zinc/36/26/12/734362612.db2.gz YYGXTFIRXIUPSV-UHFFFAOYSA-N 0 0 370.696 2.723 20 10 FFCDRN CC(C)(C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])OCCO ZINC000708124190 734362638 /nfs/dbraw/zinc/36/26/38/734362638.db2.gz CZRRRKIXAACGJR-UHFFFAOYSA-N 0 0 352.656 2.685 20 10 FFCDRN CC(C)CS(=O)(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000725823853 734394050 /nfs/dbraw/zinc/39/40/50/734394050.db2.gz FKXHMRQKPAAUGB-ZIAGYGMSSA-N 0 0 358.479 2.515 20 10 FFCDRN Cc1cc(CC(=O)NN2CCCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000783604316 738818806 /nfs/dbraw/zinc/81/88/06/738818806.db2.gz NJEVQEQPLHEEIQ-UHFFFAOYSA-N 0 0 360.845 2.737 20 10 FFCDRN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000727766068 734499879 /nfs/dbraw/zinc/49/98/79/734499879.db2.gz GLIUAGBMYBBBTA-PBHICJAKSA-N 0 0 363.527 2.659 20 10 FFCDRN CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2=CC(=O)CS2)c1C ZINC000731910771 734704989 /nfs/dbraw/zinc/70/49/89/734704989.db2.gz CFGKYRGDILOKLB-UHFFFAOYSA-N 0 0 351.380 2.615 20 10 FFCDRN Cc1ccc(F)c(NC(=S)NNc2ccccc2S(C)(=O)=O)c1 ZINC000731952544 734709471 /nfs/dbraw/zinc/70/94/71/734709471.db2.gz ZLESJEVFSJPNSQ-UHFFFAOYSA-N 0 0 353.444 2.851 20 10 FFCDRN CCO[C@H](C)c1ncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)s1 ZINC000783903751 738847342 /nfs/dbraw/zinc/84/73/42/738847342.db2.gz NQULFZWPTZZPMT-SECBINFHSA-N 0 0 351.380 2.692 20 10 FFCDRN COc1ccc(C[N@H+](CCO)Cc2cc(F)cc(F)c2[O-])c(OC)c1 ZINC000894020323 734787516 /nfs/dbraw/zinc/78/75/16/734787516.db2.gz IQBKWDZZROVEFG-UHFFFAOYSA-N 0 0 353.365 2.682 20 10 FFCDRN NC(=O)CCC1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894041919 734791916 /nfs/dbraw/zinc/79/19/16/734791916.db2.gz HMUKKUVZFVGMHP-UHFFFAOYSA-N 0 0 359.239 2.771 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(S(C)(=O)=O)o2)cc1F ZINC000733153327 734793880 /nfs/dbraw/zinc/79/38/80/734793880.db2.gz RMEJLYUNMFPDJA-UHFFFAOYSA-N 0 0 368.430 2.598 20 10 FFCDRN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000733290828 734804898 /nfs/dbraw/zinc/80/48/98/734804898.db2.gz BFFAGNIBVQSSGZ-CQSZACIVSA-N 0 0 362.495 2.956 20 10 FFCDRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Cl)c1O ZINC000894256040 734826087 /nfs/dbraw/zinc/82/60/87/734826087.db2.gz BLWAKBWCNXHQOM-SNVBAGLBSA-N 0 0 357.838 2.758 20 10 FFCDRN CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000733973438 734865010 /nfs/dbraw/zinc/86/50/10/734865010.db2.gz JWLDDHZVDZNRIB-GFCCVEGCSA-N 0 0 355.529 2.779 20 10 FFCDRN OC1CCN(c2ccc(CNc3nc(Cl)nc4nc[nH]c43)cc2)CC1 ZINC000894613645 734889305 /nfs/dbraw/zinc/88/93/05/734889305.db2.gz NZJPYJZPUWKTNS-UHFFFAOYSA-N 0 0 358.833 2.531 20 10 FFCDRN CCc1onc(C)c1CNCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000894842702 734925957 /nfs/dbraw/zinc/92/59/57/734925957.db2.gz AZPLHHZRGDSFQT-UHFFFAOYSA-N 0 0 351.397 2.950 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H]1c1ncc(Br)cn1 ZINC000928360914 738862339 /nfs/dbraw/zinc/86/23/39/738862339.db2.gz WJFOYLSFGHQIKD-SNVBAGLBSA-N 0 0 354.229 2.984 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)cnc1Cl ZINC000735313801 734940895 /nfs/dbraw/zinc/94/08/95/734940895.db2.gz FNWDFAQBODOTHZ-UHFFFAOYSA-N 0 0 365.886 2.904 20 10 FFCDRN CN(c1ccc(CNS(=O)(=O)[C@@H]2CCOC2)cc1)C1CCCCC1 ZINC000735673778 734955326 /nfs/dbraw/zinc/95/53/26/734955326.db2.gz SPAKQZGHBYWRCG-GOSISDBHSA-N 0 0 352.500 2.664 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000895228163 734976302 /nfs/dbraw/zinc/97/63/02/734976302.db2.gz JFBRSUALRVTPBK-JTQLQIEISA-N 0 0 371.666 2.922 20 10 FFCDRN COC(=O)c1cc2ccccc2c(CN2CC[S@](=O)[C@H](C)[C@@H]2C)c1O ZINC000736597125 734989152 /nfs/dbraw/zinc/98/91/52/734989152.db2.gz BPISZFZPIRXZKE-YGCGCYASSA-N 0 0 361.463 2.673 20 10 FFCDRN CCc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)[nH]n1 ZINC000736652539 734991839 /nfs/dbraw/zinc/99/18/39/734991839.db2.gz ANKWEJIOOJZIEZ-UHFFFAOYSA-N 0 0 359.499 2.525 20 10 FFCDRN CCOc1ccc(N(C)CCCN2C(=O)CS/C2=C\C(=O)OC)cc1 ZINC000739923038 735061940 /nfs/dbraw/zinc/06/19/40/735061940.db2.gz CMRKVDHWOLNXKP-ATVHPVEESA-N 0 0 364.467 2.501 20 10 FFCDRN Cc1cc(CC(=O)OCCOCCO)c(C)n1-c1ccc(Cl)cc1 ZINC000740202631 735069023 /nfs/dbraw/zinc/06/90/23/735069023.db2.gz GHXBYOOJSWYRCT-UHFFFAOYSA-N 0 0 351.830 2.842 20 10 FFCDRN O=C(NC1CCN(CC(F)F)CC1)c1cc2cc(O)c(O)cc2s1 ZINC000895987884 735084259 /nfs/dbraw/zinc/08/42/59/735084259.db2.gz AEQOZTPAHNTMSN-UHFFFAOYSA-N 0 0 356.394 2.772 20 10 FFCDRN CCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896004085 735087199 /nfs/dbraw/zinc/08/71/99/735087199.db2.gz ZKWCICRAYTWJGS-LLVKDONJSA-N 0 0 362.451 2.691 20 10 FFCDRN CCN(C(=O)c1cc2cc(O)c(O)cc2s1)[C@@H](C)CS(=O)(=O)CC ZINC000896336217 735140874 /nfs/dbraw/zinc/14/08/74/735140874.db2.gz JGPIZXIVQGOPLX-JTQLQIEISA-N 0 0 371.480 2.598 20 10 FFCDRN COCCOC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896413971 735156509 /nfs/dbraw/zinc/15/65/09/735156509.db2.gz OXAPIKBNKQTCSL-UHFFFAOYSA-N 0 0 351.424 2.580 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000896821544 735184888 /nfs/dbraw/zinc/18/48/88/735184888.db2.gz FKBZGNPDPGWRJA-ZYHUDNBSSA-N 0 0 364.320 2.899 20 10 FFCDRN CCc1nn(C)c(OC)c1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897299917 735216708 /nfs/dbraw/zinc/21/67/08/735216708.db2.gz CBGFTORMYWQKPT-UHFFFAOYSA-N 0 0 361.423 2.547 20 10 FFCDRN [O-]c1c(C[NH2+]CC2(OCCO)CCC(C(F)F)CC2)ccc(F)c1F ZINC000897542066 735244688 /nfs/dbraw/zinc/24/46/88/735244688.db2.gz FPZKWORZVRUSRP-UHFFFAOYSA-N 0 0 365.367 2.963 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Cl)nc(N(C)C)c1 ZINC000742952775 735263965 /nfs/dbraw/zinc/26/39/65/735263965.db2.gz RHZUXMIDXSHOQM-UHFFFAOYSA-N 0 0 360.845 2.906 20 10 FFCDRN CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@@H](C)[S@@]1=O ZINC000897735072 735271020 /nfs/dbraw/zinc/27/10/20/735271020.db2.gz LHVVJXWTXJPVOE-SKYOCIEYSA-N 0 0 353.465 2.684 20 10 FFCDRN COC(=O)c1cnc(SC[C@@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000899886781 735565441 /nfs/dbraw/zinc/56/54/41/735565441.db2.gz KLSNEZQNMSXHMK-MRVPVSSYSA-N 0 0 351.318 2.970 20 10 FFCDRN Cc1cc(CC(=O)NCCc2nnc[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC000748366129 735638787 /nfs/dbraw/zinc/63/87/87/735638787.db2.gz ZKKWVUKIRZJWMA-UHFFFAOYSA-N 0 0 357.845 2.767 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H](O)C(F)(F)F)c2C)cc1 ZINC000749251507 735708131 /nfs/dbraw/zinc/70/81/31/735708131.db2.gz CDCSMTLQBLAQDG-OAHLLOKOSA-N 0 0 356.344 2.756 20 10 FFCDRN CS(=O)(=O)C1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCCC1 ZINC000749852060 735756160 /nfs/dbraw/zinc/75/61/60/735756160.db2.gz UHTGWLOMUBLBTK-UHFFFAOYSA-N 0 0 364.511 2.651 20 10 FFCDRN CC(C)c1nsc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000750017327 735767040 /nfs/dbraw/zinc/76/70/40/735767040.db2.gz SMMYHVVPSNMNJR-CQSZACIVSA-N 0 0 359.499 2.975 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2c(C)csc2C)cc1 ZINC000901861051 735853608 /nfs/dbraw/zinc/85/36/08/735853608.db2.gz PEXVXWRZGHSSBP-UHFFFAOYSA-N 0 0 374.509 2.927 20 10 FFCDRN COc1cccc(CS(=O)(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000751317504 735863183 /nfs/dbraw/zinc/86/31/83/735863183.db2.gz GKVYINWFRLVNMV-GFCCVEGCSA-N 0 0 351.424 2.590 20 10 FFCDRN Cn1ccc(C(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)c1 ZINC000751938343 735937675 /nfs/dbraw/zinc/93/76/75/735937675.db2.gz YSKGPIOBAOZYFR-UHFFFAOYSA-N 0 0 355.419 2.694 20 10 FFCDRN Cc1cc(CCNC(=O)N[C@H](C)C[S@](C)=O)c(C)n1-c1ccccc1 ZINC000784526414 738900742 /nfs/dbraw/zinc/90/07/42/738900742.db2.gz ICJWJKGAXSCXSM-PWECECGKSA-N 0 0 361.511 2.703 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](CC)OC ZINC000753084744 736036504 /nfs/dbraw/zinc/03/65/04/736036504.db2.gz QXCPUFXDCLPJNB-QGZVFWFLSA-N 0 0 350.459 2.800 20 10 FFCDRN C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000903427923 736092673 /nfs/dbraw/zinc/09/26/73/736092673.db2.gz BUSWSXNSDYJAFR-VIFPVBQESA-N 0 0 358.225 2.702 20 10 FFCDRN C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000903427922 736092684 /nfs/dbraw/zinc/09/26/84/736092684.db2.gz BUSWSXNSDYJAFR-SECBINFHSA-N 0 0 358.225 2.702 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(F)cc1[O-] ZINC000903435151 736094335 /nfs/dbraw/zinc/09/43/35/736094335.db2.gz PJDNWCURBQNKFX-KOLCDFICSA-N 0 0 352.797 2.610 20 10 FFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]Cc1ccc(N2CCOCC2)nc1 ZINC000790950719 739518243 /nfs/dbraw/zinc/51/82/43/739518243.db2.gz SLEXLCYWZVRCDK-UHFFFAOYSA-N 0 0 351.809 2.706 20 10 FFCDRN CCC(CC)CS(=O)(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000754040059 736118727 /nfs/dbraw/zinc/11/87/27/736118727.db2.gz KXINGJIKCXUSSE-UHFFFAOYSA-N 0 0 358.479 2.722 20 10 FFCDRN CC(C)[C@H](CN(C)C(=O)C1=CC(=O)CS1)NC(=O)C1=CC(=O)CS1 ZINC000754311138 736146490 /nfs/dbraw/zinc/14/64/90/736146490.db2.gz OUSNGXMCXXLVER-LBPRGKRZSA-N 0 0 368.480 2.747 20 10 FFCDRN COC[C@@H](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000755199633 736241572 /nfs/dbraw/zinc/24/15/72/736241572.db2.gz DBIBBRJGSHGFDF-SOUVJXGZSA-N 0 0 352.450 2.728 20 10 FFCDRN C[C@@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000756535133 736339886 /nfs/dbraw/zinc/33/98/86/736339886.db2.gz OTEPFMNRANBRSA-GHMZBOCLSA-N 0 0 361.255 2.665 20 10 FFCDRN C[C@@H]([NH2+]C[C@]1(CCO)CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756654292 736349802 /nfs/dbraw/zinc/34/98/02/736349802.db2.gz KBDFPFMADKKULQ-BMIGLBTASA-N 0 0 362.239 2.734 20 10 FFCDRN CC(C)N1C[C@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1=O ZINC000756737395 736357245 /nfs/dbraw/zinc/35/72/45/736357245.db2.gz LQUNCQUKQVOAFW-VHSXEESVSA-N 0 0 359.239 2.954 20 10 FFCDRN CCNC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000756759561 736359519 /nfs/dbraw/zinc/35/95/19/736359519.db2.gz KXNNCXROXNVREQ-VHSXEESVSA-N 0 0 374.254 2.748 20 10 FFCDRN CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000757858049 736431413 /nfs/dbraw/zinc/43/14/13/736431413.db2.gz WYDZQKCIYLLQCR-HNNXBMFYSA-N 0 0 368.861 2.729 20 10 FFCDRN COC(=O)C1(c2ccc(S(=O)(=O)Nc3ccc(O)cc3F)cc2)CC1 ZINC000758169719 736458426 /nfs/dbraw/zinc/45/84/26/736458426.db2.gz BIVOIOUXGIAJGE-UHFFFAOYSA-N 0 0 365.382 2.537 20 10 FFCDRN CCOC(=O)c1cc(NC(=O)NCCCSc2nccs2)cn1C ZINC000759499306 736573287 /nfs/dbraw/zinc/57/32/87/736573287.db2.gz HYZNRSDMRQTOKM-UHFFFAOYSA-N 0 0 368.484 2.962 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1ccnc(-n2ccnc2)c1 ZINC000759577016 736578431 /nfs/dbraw/zinc/57/84/31/736578431.db2.gz WNWNZTSJPNXILD-UHFFFAOYSA-N 0 0 374.495 2.705 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@H](CO)c1cccc(F)c1 ZINC000759602666 736580081 /nfs/dbraw/zinc/58/00/81/736580081.db2.gz XPARQZGEAHEERZ-CYBMUJFWSA-N 0 0 355.460 2.797 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(C(=O)N3CCCCC3)CC2)c1O ZINC000761191427 736705240 /nfs/dbraw/zinc/70/52/40/736705240.db2.gz UURFOTAUAOUBKK-UHFFFAOYSA-N 0 0 367.877 2.778 20 10 FFCDRN COc1ccc(N(C)Cc2cccc(NS(C)(=O)=O)c2)cc1OC ZINC000761222913 736709159 /nfs/dbraw/zinc/70/91/59/736709159.db2.gz URAYDVXRXAIJOY-UHFFFAOYSA-N 0 0 350.440 2.712 20 10 FFCDRN O=S(=O)(NCc1cccc(Cl)c1O)c1ccnn1CC1CCC1 ZINC000908329119 736758787 /nfs/dbraw/zinc/75/87/87/736758787.db2.gz PMLHQGVCNWSCCD-UHFFFAOYSA-N 0 0 355.847 2.521 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000762583247 736840675 /nfs/dbraw/zinc/84/06/75/736840675.db2.gz WQKIBNVPDWZMJV-OWCLPIDISA-N 0 0 351.541 2.931 20 10 FFCDRN COc1cc(Br)cc(CN2CC[C@H](C)[S@@](=O)CC2)c1O ZINC000763489047 736941428 /nfs/dbraw/zinc/94/14/28/736941428.db2.gz UMHSLRNYAIEBFI-FVINQWEUSA-N 0 0 362.289 2.506 20 10 FFCDRN Cc1cc(CC(=O)OCC2(CO)COC2)c(C)n1-c1ccc(Cl)cc1 ZINC000763632884 736955084 /nfs/dbraw/zinc/95/50/84/736955084.db2.gz UKAOYZJBBVKQSD-UHFFFAOYSA-N 0 0 363.841 2.842 20 10 FFCDRN O=S(=O)(c1cccc2nonc21)N1CCCc2cc(F)cc(F)c21 ZINC000765048290 737076263 /nfs/dbraw/zinc/07/62/63/737076263.db2.gz GAMXTIYNKQIEMM-UHFFFAOYSA-N 0 0 351.334 2.643 20 10 FFCDRN O=C(NCc1cccc(CN2C(=O)CSC2=O)c1)C1=CC(=O)CS1 ZINC000765159191 737088506 /nfs/dbraw/zinc/08/85/06/737088506.db2.gz OOTMBKJGDKKXIN-UHFFFAOYSA-N 0 0 362.432 2.579 20 10 FFCDRN CC(C)CCn1cc(C(=O)NCc2cccc(Br)c2O)nn1 ZINC000765771314 737156900 /nfs/dbraw/zinc/15/69/00/737156900.db2.gz ZXTGOPDQPUMMLQ-UHFFFAOYSA-N 0 0 367.247 2.722 20 10 FFCDRN Oc1c(Br)cccc1CNC(=S)NC[C@H]1CCCCO1 ZINC000765992740 737181550 /nfs/dbraw/zinc/18/15/50/737181550.db2.gz NRPGTZPOABNEBL-LLVKDONJSA-N 0 0 359.289 2.688 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncc(I)cn1 ZINC000766100967 737194805 /nfs/dbraw/zinc/19/48/05/737194805.db2.gz TWEAPQVSAJMIKE-QMMMGPOBSA-N 0 0 371.178 2.536 20 10 FFCDRN Cc1nc2c(nccc2C(=O)NCc2cc(Br)ccc2O)[nH]1 ZINC000804738356 740901915 /nfs/dbraw/zinc/90/19/15/740901915.db2.gz NJUTXXCYTCDUMN-UHFFFAOYSA-N 0 0 361.199 2.664 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCc3cnc(C)o3)CC2)cc1 ZINC000912423276 737302827 /nfs/dbraw/zinc/30/28/27/737302827.db2.gz UQKCUUXIISMMSR-UHFFFAOYSA-N 0 0 361.467 2.574 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@H]1CCCC2(C1)OCCO2 ZINC000768393665 737419386 /nfs/dbraw/zinc/41/93/86/737419386.db2.gz IPBRTEAWRIAWRX-LBPRGKRZSA-N 0 0 357.501 2.610 20 10 FFCDRN Oc1cc2c(cc1CN1CCN(c3ccccc3Cl)CC1)[C@H](O)CO2 ZINC000768438002 737423092 /nfs/dbraw/zinc/42/30/92/737423092.db2.gz NKYJYYNDLIMOCN-GOSISDBHSA-N 0 0 360.841 2.794 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccoc2Cl)cc1 ZINC000768940279 737480460 /nfs/dbraw/zinc/48/04/60/737480460.db2.gz LAOFXPBZJYUWDU-UHFFFAOYSA-N 0 0 350.802 2.814 20 10 FFCDRN O=S1(=O)CCN(Cc2cc(Br)ccc2O)[C@H]2CCCC[C@H]21 ZINC000769411785 737525735 /nfs/dbraw/zinc/52/57/35/737525735.db2.gz KYKVNUVDSKRPBB-DZGCQCFKSA-N 0 0 374.300 2.696 20 10 FFCDRN CN(CC(=O)NCc1cccs1)Cc1cc(Br)ccc1O ZINC000769428290 737529165 /nfs/dbraw/zinc/52/91/65/737529165.db2.gz QBNOTVXIXHAYII-UHFFFAOYSA-N 0 0 369.284 2.964 20 10 FFCDRN O=C1/C(=C\c2cnc(N3CCCC3)nc2)SC(=S)N1c1cccnc1 ZINC000915041726 737603297 /nfs/dbraw/zinc/60/32/97/737603297.db2.gz SQSNUIUTVKTEAV-RIYZIHGNSA-N 0 0 369.475 2.878 20 10 FFCDRN COc1cccc(CNC(=O)c2cccc(S(=O)(=O)C(C)C)c2)c1O ZINC000771416051 737724819 /nfs/dbraw/zinc/72/48/19/737724819.db2.gz CRAZTMNCIZVUGO-UHFFFAOYSA-N 0 0 363.435 2.513 20 10 FFCDRN COCCn1cnn(CN(Cc2ccc(N(C)C)cc2)C(C)C)c1=S ZINC000917411071 737756292 /nfs/dbraw/zinc/75/62/92/737756292.db2.gz IZTQQRKJNRZGGP-UHFFFAOYSA-N 0 0 363.531 2.995 20 10 FFCDRN CC(C)=CCSCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000772266604 737798972 /nfs/dbraw/zinc/79/89/72/737798972.db2.gz MURZRDSSQIDKEQ-UHFFFAOYSA-N 0 0 352.475 2.978 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)NCc1cccc(Cl)c1 ZINC000772764950 737840613 /nfs/dbraw/zinc/84/06/13/737840613.db2.gz ITECEORJAGNLHP-FNORWQNLSA-N 0 0 361.781 2.624 20 10 FFCDRN C[C@H](NC(=O)c1cccc(NS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000773014395 737863358 /nfs/dbraw/zinc/86/33/58/737863358.db2.gz ISBNRFHNHJUVPS-ZDUSSCGKSA-N 0 0 361.467 2.615 20 10 FFCDRN C[C@H](NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773013299 737863598 /nfs/dbraw/zinc/86/35/98/737863598.db2.gz DARLPHSZTLFTSH-BBRMVZONSA-N 0 0 363.527 2.877 20 10 FFCDRN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773026715 737864253 /nfs/dbraw/zinc/86/42/53/737864253.db2.gz TUBSXVDUVKOTCR-JJRVBVJISA-N 0 0 363.527 2.877 20 10 FFCDRN CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773085620 737869737 /nfs/dbraw/zinc/86/97/37/737869737.db2.gz ZGHWOTDDGQYIFO-LBPRGKRZSA-N 0 0 366.439 2.562 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000773084863 737869743 /nfs/dbraw/zinc/86/97/43/737869743.db2.gz UDCHQPQQPMPISD-LLVKDONJSA-N 0 0 368.480 2.640 20 10 FFCDRN CCn1nc(C)c(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1C ZINC000773088798 737870119 /nfs/dbraw/zinc/87/01/19/737870119.db2.gz PBPXWDDJRTVXBN-GFCCVEGCSA-N 0 0 350.488 2.625 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000773282792 737887857 /nfs/dbraw/zinc/88/78/57/737887857.db2.gz ANYDGLWNHOOZIA-UHFFFAOYSA-N 0 0 352.481 2.620 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c(O)cccc1Cl ZINC000920453251 737908390 /nfs/dbraw/zinc/90/83/90/737908390.db2.gz BQEVGBCCIPSGHY-UHFFFAOYSA-N 0 0 364.804 2.951 20 10 FFCDRN C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1F ZINC000920638232 737918581 /nfs/dbraw/zinc/91/85/81/737918581.db2.gz UOTSFDLCJCMFMT-SNVBAGLBSA-N 0 0 353.371 2.821 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1scnc1Br ZINC000773742280 737932228 /nfs/dbraw/zinc/93/22/28/737932228.db2.gz RPLFNBLMTVJLAQ-SSDOTTSWSA-N 0 0 357.229 2.678 20 10 FFCDRN Cc1ccc(NC=C2C(=O)NC(=S)N(CC(C)C)C2=O)c(Cl)c1 ZINC000920975311 737937437 /nfs/dbraw/zinc/93/74/37/737937437.db2.gz DDRJUCWSVWRXAR-YRNVUSSQSA-N 0 0 351.859 2.844 20 10 FFCDRN CC(C)CN1C(=O)C(=CN[C@H](C)c2ccc(Cl)cc2)C(=O)NC1=S ZINC000920980743 737937830 /nfs/dbraw/zinc/93/78/30/737937830.db2.gz ZJPPWHGLESUUEV-ZEVOCZHWSA-N 0 0 365.886 2.774 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)CC[C@H]2CCOC2)cc1 ZINC000814982346 741879247 /nfs/dbraw/zinc/87/92/47/741879247.db2.gz WXLJIKCSYYXVQJ-QGZVFWFLSA-N 0 0 354.516 2.721 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC000774429006 737988480 /nfs/dbraw/zinc/98/84/80/737988480.db2.gz AAIQMPUIOKRVDA-ZDUSSCGKSA-N 0 0 359.857 2.900 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC(O)(C(F)(F)F)CC1 ZINC000775443078 738093634 /nfs/dbraw/zinc/09/36/34/738093634.db2.gz LMDQOLNRWOSPDY-UHFFFAOYSA-N 0 0 369.434 2.724 20 10 FFCDRN COCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000775662923 738110332 /nfs/dbraw/zinc/11/03/32/738110332.db2.gz IGBUDJFPIIZSDR-UHFFFAOYSA-N 0 0 358.841 2.549 20 10 FFCDRN COC(=O)/C=C\c1ccc(N(C)CC(=O)OC(C)(C)C)c([N+](=O)[O-])c1 ZINC000775684491 738112388 /nfs/dbraw/zinc/11/23/88/738112388.db2.gz LDODGMTYIRROKS-CLFYSBASSA-N 0 0 350.371 2.559 20 10 FFCDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000776748627 738228820 /nfs/dbraw/zinc/22/88/20/738228820.db2.gz USGKUEHETBVJJI-UHFFFAOYSA-N 0 0 355.799 2.941 20 10 FFCDRN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1c(O)cccc1F ZINC000928710886 738898737 /nfs/dbraw/zinc/89/87/37/738898737.db2.gz XDEXFJLUAAPKPD-HNNXBMFYSA-N 0 0 350.415 2.664 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c1 ZINC000778389882 738379437 /nfs/dbraw/zinc/37/94/37/738379437.db2.gz JNWHFWCVPAPBRM-UHFFFAOYSA-N 0 0 352.293 2.717 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CCCCS2(=O)=O)c1 ZINC000784614480 738908254 /nfs/dbraw/zinc/90/82/54/738908254.db2.gz ZYFBFFTYKKTBLQ-LBPRGKRZSA-N 0 0 362.289 2.520 20 10 FFCDRN CSc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000785295920 738952297 /nfs/dbraw/zinc/95/22/97/738952297.db2.gz KDGBTURXAYESFG-LLVKDONJSA-N 0 0 360.435 2.506 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCC(C)(C)O)cc2F)C[C@H](C)O1 ZINC000787070013 739102470 /nfs/dbraw/zinc/10/24/70/739102470.db2.gz KZCADWTZIUUYRN-OKILXGFUSA-N 0 0 352.450 2.607 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](CO)O[C@@H](C)C2)c(C)n1-c1cccc(Cl)c1 ZINC000787477222 739140178 /nfs/dbraw/zinc/14/01/78/739140178.db2.gz XPTPQSIQMRLQEB-SUMWQHHRSA-N 0 0 362.857 2.969 20 10 FFCDRN CC[S@@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000787952236 739190438 /nfs/dbraw/zinc/19/04/38/739190438.db2.gz ZXBASGBIMYFYAM-RUZDIDTESA-N 0 0 365.426 2.728 20 10 FFCDRN CN(CCCCCO)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000788874335 739289942 /nfs/dbraw/zinc/28/99/42/739289942.db2.gz KKJXBVBFHKINTF-UHFFFAOYSA-N 0 0 351.516 2.544 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@]2(C)CCCS2)cc1 ZINC000788976760 739305296 /nfs/dbraw/zinc/30/52/96/739305296.db2.gz GYELIMKCLKJQAI-IBGZPJMESA-N 0 0 363.527 2.551 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+](C)[C@H](C)CN2CCOCC2)c1 ZINC000789764915 739385865 /nfs/dbraw/zinc/38/58/65/739385865.db2.gz KXLVNCXIKJMKBO-CYBMUJFWSA-N 0 0 357.292 2.616 20 10 FFCDRN CCOc1cc(O)ccc1NS(=O)(=O)CCc1ccccc1[N+](=O)[O-] ZINC000790411900 739450389 /nfs/dbraw/zinc/45/03/89/739450389.db2.gz UNMHLZOVIMQRQL-UHFFFAOYSA-N 0 0 366.395 2.684 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1O ZINC000790899109 739510523 /nfs/dbraw/zinc/51/05/23/739510523.db2.gz IPYJYXJZNMYGFT-NEPJUHHUSA-N 0 0 350.415 2.616 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]([C@H]1CCOC1)C(F)(F)F ZINC000932991001 739551103 /nfs/dbraw/zinc/55/11/03/739551103.db2.gz YLBGCMSBWWGWEH-QPUJVOFHSA-N 0 0 352.740 2.812 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)c1 ZINC000792186815 739648470 /nfs/dbraw/zinc/64/84/70/739648470.db2.gz QXYGIMFOVOMJHE-CYBMUJFWSA-N 0 0 353.260 2.660 20 10 FFCDRN COc1cc(Br)cc(CN2C[C@@H](C)[S@](=O)[C@@H](C)C2)c1O ZINC000792192776 739649666 /nfs/dbraw/zinc/64/96/66/739649666.db2.gz QGGOCGYXTGOAFG-SKKJYHNQSA-N 0 0 362.289 2.505 20 10 FFCDRN COc1cc(C)cnc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000792590306 739685082 /nfs/dbraw/zinc/68/50/82/739685082.db2.gz NODDTGDHLDYQPW-UHFFFAOYSA-N 0 0 357.479 2.882 20 10 FFCDRN CN(C)c1ccc(CN2CCOC[C@H]2c2ncon2)c(C(F)(F)F)c1 ZINC000793063589 739736486 /nfs/dbraw/zinc/73/64/86/739736486.db2.gz RBDMWQPVAVHSAX-AWEZNQCLSA-N 0 0 356.348 2.728 20 10 FFCDRN CC[C@@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793363218 739773796 /nfs/dbraw/zinc/77/37/96/739773796.db2.gz RGKXKXDXHKVBDL-CJNGLKHVSA-N 0 0 356.260 2.925 20 10 FFCDRN COc1cc(O)c(CNc2cc(Cl)cc(C(N)=O)c2OC)cc1OC ZINC000793628073 739800798 /nfs/dbraw/zinc/80/07/98/739800798.db2.gz IMNDHIZUOJFDSK-UHFFFAOYSA-N 0 0 366.801 2.782 20 10 FFCDRN COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)c(Br)c1 ZINC000794578174 739906602 /nfs/dbraw/zinc/90/66/02/739906602.db2.gz FWDPXFYZNJNVTF-UHFFFAOYSA-N 0 0 358.213 2.964 20 10 FFCDRN Cc1cc2c(cc1S(=O)(=O)NCc1ccc(N(C)C)cc1C)OCO2 ZINC000795111008 739966675 /nfs/dbraw/zinc/96/66/75/739966675.db2.gz YPQAMOSNBRNTEY-UHFFFAOYSA-N 0 0 362.451 2.577 20 10 FFCDRN COc1cccc(CNc2cc(S(=O)(=O)N(C)C)cc(C)c2C)c1O ZINC000796403013 740140987 /nfs/dbraw/zinc/14/09/87/740140987.db2.gz VUOBJHZCFVMJSJ-UHFFFAOYSA-N 0 0 364.467 2.880 20 10 FFCDRN C[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)[C@H]1OCCc2sccc21 ZINC000796503976 740148276 /nfs/dbraw/zinc/14/82/76/740148276.db2.gz GSLHABYZWDMHEQ-DYZYQPBXSA-N 0 0 362.403 2.835 20 10 FFCDRN CC[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)c1ccc(F)cc1[O-] ZINC000796728617 740176887 /nfs/dbraw/zinc/17/68/87/740176887.db2.gz PXTRMAYRIVGNPM-INIZCTEOSA-N 0 0 352.431 2.551 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1 ZINC000797130468 740216057 /nfs/dbraw/zinc/21/60/57/740216057.db2.gz AESMLJCXBIZAKP-CANCMXDXSA-N 0 0 361.463 2.908 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc3c(c2)NC(=O)CS3)c(O)c1 ZINC000797610800 740259368 /nfs/dbraw/zinc/25/93/68/740259368.db2.gz RWVOAXXGEPJZQV-UHFFFAOYSA-N 0 0 359.407 2.767 20 10 FFCDRN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)ccc1F ZINC000797819468 740275810 /nfs/dbraw/zinc/27/58/10/740275810.db2.gz KBYXRLXKUUOFJP-UHFFFAOYSA-N 0 0 369.370 2.517 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@@H](CO)CC2CCCC2)cc1F ZINC000798393433 740327691 /nfs/dbraw/zinc/32/76/91/740327691.db2.gz TXBYUFXHXPIIHC-INIZCTEOSA-N 0 0 351.466 2.880 20 10 FFCDRN C[C@@H]1CN(C)c2ccccc2N(S(=O)(=O)c2cccc3nsnc32)C1 ZINC000798441664 740332500 /nfs/dbraw/zinc/33/25/00/740332500.db2.gz XQISCFSSUMKXAX-GFCCVEGCSA-N 0 0 374.491 2.973 20 10 FFCDRN CC(C)N(Cc1nnn(CC(F)(F)F)n1)Cc1ccc(N(C)C)cc1 ZINC000799295890 740404789 /nfs/dbraw/zinc/40/47/89/740404789.db2.gz BLWDSORQVHEXHP-UHFFFAOYSA-N 0 0 356.396 2.712 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cn2cc(Cl)cc(Cl)c2n1 ZINC000799697211 740442062 /nfs/dbraw/zinc/44/20/62/740442062.db2.gz AWGWHUQNDGTJJV-UHFFFAOYSA-N 0 0 352.177 2.982 20 10 FFCDRN CCNC(=O)CNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000799857811 740458743 /nfs/dbraw/zinc/45/87/43/740458743.db2.gz VIADWEVECAKTGO-ZDUSSCGKSA-N 0 0 366.893 2.512 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CN(C)CCO3)cc2Cl)C1 ZINC000800571066 740534335 /nfs/dbraw/zinc/53/43/35/740534335.db2.gz DUUXTKWPOSHWIR-KSSFIOAISA-N 0 0 365.905 2.523 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CN3CCOCC3)cc2Cl)C1 ZINC000800572361 740534616 /nfs/dbraw/zinc/53/46/16/740534616.db2.gz WJRWAXZTGLGSAK-OAHLLOKOSA-N 0 0 365.905 2.525 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000801734002 740646434 /nfs/dbraw/zinc/64/64/34/740646434.db2.gz PRKOASUHCYUBQA-XJKSGUPXSA-N 0 0 370.287 2.812 20 10 FFCDRN Nc1cc(F)c([N+](=O)[O-])cc1C(=O)NCCCSc1nccs1 ZINC000801896191 740661774 /nfs/dbraw/zinc/66/17/74/740661774.db2.gz RFZICWUHEWSZRG-UHFFFAOYSA-N 0 0 356.404 2.685 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(-c2nc[nH]n2)cc1 ZINC000804733295 740900125 /nfs/dbraw/zinc/90/01/25/740900125.db2.gz NUFOWHBMZXLCJN-UHFFFAOYSA-N 0 0 373.210 2.870 20 10 FFCDRN COc1ccc(O)cc1C(=O)NCc1cc(Br)ccc1O ZINC000804736106 740901153 /nfs/dbraw/zinc/90/11/53/740901153.db2.gz NVFYGLZVXACAJQ-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN C[S@](=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804739565 740901856 /nfs/dbraw/zinc/90/18/56/740901856.db2.gz JRSSKTCCUXTCLO-NRFANRHFSA-N 0 0 368.252 2.822 20 10 FFCDRN COc1ccc(CNC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804878282 740912630 /nfs/dbraw/zinc/91/26/30/740912630.db2.gz UINPCEHYVVVNGR-UHFFFAOYSA-N 0 0 366.215 2.558 20 10 FFCDRN COC(=O)c1cc(Cl)cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1O ZINC000804899175 740914150 /nfs/dbraw/zinc/91/41/50/740914150.db2.gz CURZFMNLEGNJJY-HYXAFXHYSA-N 0 0 363.753 2.895 20 10 FFCDRN O=S(=O)(NCc1ccccc1O)c1c(F)cccc1OC(F)(F)F ZINC000805009295 740925150 /nfs/dbraw/zinc/92/51/50/740925150.db2.gz OWTUHGORDOAWPW-UHFFFAOYSA-N 0 0 365.304 2.908 20 10 FFCDRN CC1(C)[C@H](NC(=O)NCc2cc(Br)ccc2O)[C@H]2CCO[C@H]21 ZINC000805147806 740946267 /nfs/dbraw/zinc/94/62/67/740946267.db2.gz MNRBKZZAVNCNKY-MRVWCRGKSA-N 0 0 369.259 2.767 20 10 FFCDRN Cc1nn(C)c(C)c1CNC(=O)NCc1cc(Br)ccc1O ZINC000805181601 740947966 /nfs/dbraw/zinc/94/79/66/740947966.db2.gz NWGREAZLWCHHEC-UHFFFAOYSA-N 0 0 367.247 2.504 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)NOCCC(F)(F)F ZINC000805314582 740959595 /nfs/dbraw/zinc/95/95/95/740959595.db2.gz MVTFLUCDURTGAH-UHFFFAOYSA-N 0 0 357.126 2.838 20 10 FFCDRN COc1cccc(CNC(=O)NCc2cc(Br)ccc2O)n1 ZINC000806642811 741078159 /nfs/dbraw/zinc/07/81/59/741078159.db2.gz OIUBIOCRCAJRFY-UHFFFAOYSA-N 0 0 366.215 2.558 20 10 FFCDRN Cc1noc([C@@H]2CCCN2C(=O)NCCCSc2nccs2)n1 ZINC000806958364 741098336 /nfs/dbraw/zinc/09/83/36/741098336.db2.gz HCOUTRXVDCDEGZ-NSHDSACASA-N 0 0 353.473 2.863 20 10 FFCDRN Cc1cc(CC(=O)NCc2cnnn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000807893632 741169269 /nfs/dbraw/zinc/16/92/69/741169269.db2.gz KAAJTKFPHAPHGP-UHFFFAOYSA-N 0 0 357.845 2.735 20 10 FFCDRN CC(=O)C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C ZINC000808013455 741177802 /nfs/dbraw/zinc/17/78/02/741177802.db2.gz CLZLMFBCJGZBOO-UHFFFAOYSA-N 0 0 364.473 2.974 20 10 FFCDRN CC(=O)C(=O)COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000808526900 741232458 /nfs/dbraw/zinc/23/24/58/741232458.db2.gz VCPBLTIWNXZBRW-KGLIPLIRSA-N 0 0 355.431 2.551 20 10 FFCDRN CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000808726945 741255995 /nfs/dbraw/zinc/25/59/95/741255995.db2.gz SZNUSEIMSMKPJQ-VIFPVBQESA-N 0 0 368.268 2.768 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c1[O-] ZINC000808783774 741260484 /nfs/dbraw/zinc/26/04/84/741260484.db2.gz UOEIQAAZJUEJIT-MORSLUCNSA-N 0 0 364.873 2.985 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC1(SC)CCC1 ZINC000809293082 741298295 /nfs/dbraw/zinc/29/82/95/741298295.db2.gz QHSQYMRDHMCLFW-UHFFFAOYSA-N 0 0 363.527 2.503 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)c1 ZINC000809771733 741341940 /nfs/dbraw/zinc/34/19/40/741341940.db2.gz NUMDZXJBHYGLOQ-ZDUSSCGKSA-N 0 0 367.287 2.907 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)c1 ZINC000809771732 741342000 /nfs/dbraw/zinc/34/20/00/741342000.db2.gz NUMDZXJBHYGLOQ-CYBMUJFWSA-N 0 0 367.287 2.907 20 10 FFCDRN COc1ccc2c(c1)CCCN2CCOCCNC(=O)OC(C)(C)C ZINC000809934221 741363424 /nfs/dbraw/zinc/36/34/24/741363424.db2.gz MKMVIWPCIAAXJQ-UHFFFAOYSA-N 0 0 350.459 2.989 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)SCC(=O)N3)c1 ZINC000810348354 741410374 /nfs/dbraw/zinc/41/03/74/741410374.db2.gz UPYFKLLMAYIGTD-JTQLQIEISA-N 0 0 358.419 2.936 20 10 FFCDRN O=C(COC(=O)c1cc(O)cc(C(F)(F)F)c1)c1ccc(O)c(O)c1 ZINC000811308163 741505986 /nfs/dbraw/zinc/50/59/86/741505986.db2.gz JVWDFYZLYAKCAI-UHFFFAOYSA-N 0 0 356.252 2.862 20 10 FFCDRN Cc1cc(Br)cc(CN2CCO[C@@H](C(=O)C3CC3)C2)c1O ZINC000811502320 741530601 /nfs/dbraw/zinc/53/06/01/741530601.db2.gz PUVZFOCVNCOLEH-CQSZACIVSA-N 0 0 354.244 2.643 20 10 FFCDRN Cc1cc(C(=O)NCCS(=O)(=O)C(C)C)c(C)n1-c1cccc(C)c1 ZINC000811556235 741536879 /nfs/dbraw/zinc/53/68/79/741536879.db2.gz DSBIWNGNQVYNIN-UHFFFAOYSA-N 0 0 362.495 2.956 20 10 FFCDRN CC(C)(C)S(=O)(=O)c1ccc(NCCc2ccc(O)c(O)c2)cn1 ZINC000811810921 741562029 /nfs/dbraw/zinc/56/20/29/741562029.db2.gz IYXOGRJBVIATLT-UHFFFAOYSA-N 0 0 350.440 2.720 20 10 FFCDRN CON(C[C@@H]1CCC[C@@H](C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000812419167 741619298 /nfs/dbraw/zinc/61/92/98/741619298.db2.gz IJAMHXCDKABWAK-CHWSQXEVSA-N 0 0 370.471 2.594 20 10 FFCDRN COc1cc(Br)cc(CN2CCC(F)(F)[C@H](CO)C2)c1O ZINC000812776800 741650957 /nfs/dbraw/zinc/65/09/57/741650957.db2.gz ZFCAPXSTMNOLJB-JTQLQIEISA-N 0 0 366.202 2.613 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2ccc3nc(C)sc3c2)c(O)c1 ZINC000813700146 741751351 /nfs/dbraw/zinc/75/13/51/741751351.db2.gz BUJBNBMYJFGQFR-UHFFFAOYSA-N 0 0 364.448 2.797 20 10 FFCDRN O=C1/C(=C\c2cnn(CC(F)F)c2)SC(=S)N1c1cccnc1 ZINC000814182936 741801570 /nfs/dbraw/zinc/80/15/70/741801570.db2.gz AFZBQKDPTYZDRZ-NYYWCZLTSA-N 0 0 352.391 2.949 20 10 FFCDRN COC(=O)COc1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)cc1 ZINC000814186207 741801762 /nfs/dbraw/zinc/80/17/62/741801762.db2.gz WJJVWGPMVPAFAH-ZROIWOOFSA-N 0 0 363.460 2.992 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1[O-] ZINC000815289916 741921630 /nfs/dbraw/zinc/92/16/30/741921630.db2.gz RHKSWFTWCRYVRK-MSOLQXFVSA-N 0 0 353.846 2.658 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ncccc1Cl ZINC000815729623 741955709 /nfs/dbraw/zinc/95/57/09/741955709.db2.gz CNAZNANXQDVNAN-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cc(F)ccc2OC(F)F)cc1 ZINC000817128970 742090798 /nfs/dbraw/zinc/09/07/98/742090798.db2.gz FOPBTLHZLWJDDF-UHFFFAOYSA-N 0 0 374.384 2.972 20 10 FFCDRN CC[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000817572929 742171281 /nfs/dbraw/zinc/17/12/81/742171281.db2.gz FZUJFRTVWHSNGQ-ZIAGYGMSSA-N 0 0 352.818 2.767 20 10 FFCDRN C[C@@H](N[C@@H]1CC[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000817945046 742223895 /nfs/dbraw/zinc/22/38/95/742223895.db2.gz SBNDCIOOUIBDLP-VXNVDRBHSA-N 0 0 364.081 2.930 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3sccc3C)C2)cc1 ZINC000819888270 742440045 /nfs/dbraw/zinc/44/00/45/742440045.db2.gz TYLOYKPTEUMPSN-AWEZNQCLSA-N 0 0 366.508 2.870 20 10 FFCDRN CCOC(=O)CN(Cc1cn(C)nc1C(F)F)Cc1ccccc1O ZINC000822511439 742746554 /nfs/dbraw/zinc/74/65/54/742746554.db2.gz FZIMQRIAMMJZLS-UHFFFAOYSA-N 0 0 353.369 2.629 20 10 FFCDRN Cn1ncc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1Cl ZINC000822586563 742755345 /nfs/dbraw/zinc/75/53/45/742755345.db2.gz SSWUXRGJWUCBBF-UHFFFAOYSA-N 0 0 350.875 2.557 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@]3(C)CCNC3=O)cc2Cl)C1 ZINC000822703324 742772336 /nfs/dbraw/zinc/77/23/36/742772336.db2.gz LGQCSXLCYMVMBE-YJYMSZOUSA-N 0 0 363.889 2.719 20 10 FFCDRN COC(=O)CN(Cc1nc(C(F)F)no1)Cc1cc(Cl)ccc1O ZINC000822746842 742778153 /nfs/dbraw/zinc/77/81/53/742778153.db2.gz OCQRIMIXVIPJGR-UHFFFAOYSA-N 0 0 361.732 2.541 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(S(=O)(=O)N(C)C)s2)c(OC)c1 ZINC000822774753 742782779 /nfs/dbraw/zinc/78/27/79/742782779.db2.gz ISYINSSDQBRXMR-UHFFFAOYSA-N 0 0 370.496 2.652 20 10 FFCDRN COCc1cnc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000823333086 742883885 /nfs/dbraw/zinc/88/38/85/742883885.db2.gz SLRCYPSSGIXCCA-LBPRGKRZSA-N 0 0 362.455 2.699 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NOCCC(F)(F)F)C2)cc1 ZINC000823486741 742924267 /nfs/dbraw/zinc/92/42/67/742924267.db2.gz GTTVCHGSLKJDGD-GFCCVEGCSA-N 0 0 361.364 2.705 20 10 FFCDRN C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000823752423 742973468 /nfs/dbraw/zinc/97/34/68/742973468.db2.gz FKIDNLBCZUSXHX-LBPRGKRZSA-N 0 0 364.423 2.597 20 10 FFCDRN C[C@@H](CN(C)C(=O)OC(C)(C)C)NC(=O)N(C)Cc1ccccc1O ZINC000824205403 743037197 /nfs/dbraw/zinc/03/71/97/743037197.db2.gz BDRJBDCMHHYCRI-ZDUSSCGKSA-N 0 0 351.447 2.789 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H](O)Cc1cccc(F)c1 ZINC000824501154 743093540 /nfs/dbraw/zinc/09/35/40/743093540.db2.gz DWLUCZIJDLYVFD-AWEZNQCLSA-N 0 0 354.219 2.987 20 10 FFCDRN CCOC(=O)C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000824749163 743141779 /nfs/dbraw/zinc/14/17/79/743141779.db2.gz OVZMEDVTBRTFGL-LLVKDONJSA-N 0 0 368.739 2.729 20 10 FFCDRN COC(=O)CN(Cc1c(C2CC2)cnn1C)Cc1cc(Cl)ccc1O ZINC000824769650 743145501 /nfs/dbraw/zinc/14/55/01/743145501.db2.gz XQBOTIPHHKGEPY-UHFFFAOYSA-N 0 0 363.845 2.832 20 10 FFCDRN CC(C)OC(=O)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000824846636 743162571 /nfs/dbraw/zinc/16/25/71/743162571.db2.gz UVDACSOTBLMMRL-SFHVURJKSA-N 0 0 352.450 2.728 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1 ZINC000825203321 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O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](O)C1CCC1 ZINC000826602855 743403996 /nfs/dbraw/zinc/40/39/96/743403996.db2.gz BKZLVKFWEGTJBR-BBRMVZONSA-N 0 0 354.397 2.534 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)c1 ZINC000826846669 743454227 /nfs/dbraw/zinc/45/42/27/743454227.db2.gz XHYZLZZUHNQOLI-GFCCVEGCSA-N 0 0 351.248 2.577 20 10 FFCDRN CCN(CC(=O)OC)CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000827667295 744957505 /nfs/dbraw/zinc/95/75/05/744957505.db2.gz AFNUKVJSKLFLKQ-UHFFFAOYSA-N 0 0 363.845 2.820 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)CCC[C@H]1CCOC1 ZINC000827694502 744961902 /nfs/dbraw/zinc/96/19/02/744961902.db2.gz GDRGQMNYHFRAIP-SJORKVTESA-N 0 0 368.543 2.728 20 10 FFCDRN COc1c(O)c(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000827785421 744977318 /nfs/dbraw/zinc/97/73/18/744977318.db2.gz BTTHZFMGPKIWTJ-MWLCHTKSSA-N 0 0 364.320 2.851 20 10 FFCDRN CCN(Cc1ccc(N2CCCCC2)c(C)c1)[C@H]1CCS(=O)(=O)C1 ZINC000828117173 745031767 /nfs/dbraw/zinc/03/17/67/745031767.db2.gz DUKXWFSWEPPIPM-SFHVURJKSA-N 0 0 350.528 2.994 20 10 FFCDRN COCCN(Cc1nc(C(=O)OC)cs1)c1ccc(OC)c(OC)c1 ZINC000828344861 745057563 /nfs/dbraw/zinc/05/75/63/745057563.db2.gz JCGURKFHNFBJRO-UHFFFAOYSA-N 0 0 366.439 2.600 20 10 FFCDRN O=C(NC[C@@H]1CCC[C@@H]1NC(=O)C1=CC(=O)CS1)C1=CC(=O)CS1 ZINC000828712394 745100940 /nfs/dbraw/zinc/10/09/40/745100940.db2.gz FZGDSVWCUZQQJW-CABZTGNLSA-N 0 0 366.464 2.549 20 10 FFCDRN CCOC[C@@H](C)CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000830119440 745310708 /nfs/dbraw/zinc/31/07/08/745310708.db2.gz KBRKRLUMEBVIPE-MRXNPFEDSA-N 0 0 356.532 2.965 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cc2n(n1)CCCC2 ZINC000830529543 745375895 /nfs/dbraw/zinc/37/58/95/745375895.db2.gz KXYJFXXYOXYEBP-UHFFFAOYSA-N 0 0 350.216 2.618 20 10 FFCDRN CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000834880792 745918010 /nfs/dbraw/zinc/91/80/10/745918010.db2.gz QUQDFOQHYCWWMJ-GPCCPHFNSA-N 0 0 362.239 2.996 20 10 FFCDRN CO[C@@H]1COCC[C@H]1C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000834880980 745918616 /nfs/dbraw/zinc/91/86/16/745918616.db2.gz WNIOAXNJOPYRAP-HFBDOXOYSA-N 0 0 362.239 2.996 20 10 FFCDRN CC(C)c1ncsc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000835104630 745950781 /nfs/dbraw/zinc/95/07/81/745950781.db2.gz YXMCHOLLHIFRLU-UHFFFAOYSA-N 0 0 364.446 2.727 20 10 FFCDRN C[C@@]1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1(Cl)Cl ZINC000836250920 746174732 /nfs/dbraw/zinc/17/47/32/746174732.db2.gz YXDZXEJNJQQWTD-INIZCTEOSA-N 0 0 372.296 2.906 20 10 FFCDRN COC1(CCNC(=O)NCc2cccc(Br)c2O)CCC1 ZINC000836475886 746233344 /nfs/dbraw/zinc/23/33/44/746233344.db2.gz ZZFRPYDPNNGCHS-UHFFFAOYSA-N 0 0 357.248 2.913 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CC12CCOCC2 ZINC000836610406 746267139 /nfs/dbraw/zinc/26/71/39/746267139.db2.gz DHMSPADQAVOODT-CYBMUJFWSA-N 0 0 355.232 2.523 20 10 FFCDRN CCc1ncc(CNC(=O)NCc2cccc(Br)c2O)o1 ZINC000836637318 746273755 /nfs/dbraw/zinc/27/37/55/746273755.db2.gz YOJRTUVSHKEJRN-UHFFFAOYSA-N 0 0 354.204 2.705 20 10 FFCDRN CCn1cc([C@H](C)NC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000836641757 746274639 /nfs/dbraw/zinc/27/46/39/746274639.db2.gz MBPGEDCNQAAONT-JTQLQIEISA-N 0 0 367.247 2.932 20 10 FFCDRN COc1cc(C(N)=O)ccc1NC(=O)NCCCSc1nccs1 ZINC000836775068 746303201 /nfs/dbraw/zinc/30/32/01/746303201.db2.gz YLHUILCMECYUAD-UHFFFAOYSA-N 0 0 366.468 2.555 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCSCC1 ZINC000837709571 746503829 /nfs/dbraw/zinc/50/38/29/746503829.db2.gz IZLDWWHOOOVDMF-UHFFFAOYSA-N 0 0 356.438 2.561 20 10 FFCDRN Cc1ccc(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)o1 ZINC000837709523 746503847 /nfs/dbraw/zinc/50/38/47/746503847.db2.gz YTYIYLXMCRCFCD-UHFFFAOYSA-N 0 0 350.365 2.562 20 10 FFCDRN CC1(C)CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[S@@]1=O ZINC000838485937 746648431 /nfs/dbraw/zinc/64/84/31/746648431.db2.gz KPGMYRDGKNKWAK-VWLOTQADSA-N 0 0 361.511 2.505 20 10 FFCDRN CCCN(C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000838740096 746704133 /nfs/dbraw/zinc/70/41/33/746704133.db2.gz SEDPJSYYWHQNOI-UHFFFAOYSA-N 0 0 353.413 2.885 20 10 FFCDRN CO[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)C12CCC2 ZINC000838766333 746709361 /nfs/dbraw/zinc/70/93/61/746709361.db2.gz PIAWGFRMXUDILY-ZIAGYGMSSA-N 0 0 369.259 2.912 20 10 FFCDRN O=[N+]([O-])c1cccnc1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840325629 747065540 /nfs/dbraw/zinc/06/55/40/747065540.db2.gz JMENTWWRHUDYOY-UHFFFAOYSA-N 0 0 350.325 2.717 20 10 FFCDRN CCOC[C@@H](C)CS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841570457 747407219 /nfs/dbraw/zinc/40/72/19/747407219.db2.gz RVHMNMBBQSBDIK-GDBMZVCRSA-N 0 0 356.532 2.584 20 10 FFCDRN CN(C)c1ccc(CNc2ccc(F)c(S(=O)(=O)NC3CC3)c2)cc1 ZINC000842216283 747550095 /nfs/dbraw/zinc/55/00/95/747550095.db2.gz IIJHFQSAPVHIAW-UHFFFAOYSA-N 0 0 363.458 2.945 20 10 FFCDRN CO[C@@H]([C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C1CC1 ZINC000842258258 747558669 /nfs/dbraw/zinc/55/86/69/747558669.db2.gz QJOGKGXIFKULLC-HWPZZCPQSA-N 0 0 352.818 2.623 20 10 FFCDRN COc1cc(Br)cc(C[NH+]2CCC(C)(C(=O)[O-])CC2)c1O ZINC000843041747 747754286 /nfs/dbraw/zinc/75/42/86/747754286.db2.gz VLSVKOCGVFXVOR-UHFFFAOYSA-N 0 0 358.232 2.850 20 10 FFCDRN C[C@@H]1C[NH2+]CCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000843046746 747756001 /nfs/dbraw/zinc/75/60/01/747756001.db2.gz AIMALVFPENEIJG-MRVPVSSYSA-N 0 0 364.081 2.711 20 10 FFCDRN CC(C)[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC000843851825 747911796 /nfs/dbraw/zinc/91/17/96/747911796.db2.gz QMJOQCUZHTWPGF-WBMJQRKESA-N 0 0 351.443 2.759 20 10 FFCDRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845028067 748164081 /nfs/dbraw/zinc/16/40/81/748164081.db2.gz SPUIKXXKMNSZBA-QIPPXTIRSA-N 0 0 358.891 2.925 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000845056619 748170283 /nfs/dbraw/zinc/17/02/83/748170283.db2.gz BNIFVXIHYMKZFN-OAHLLOKOSA-N 0 0 365.861 2.636 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2cc(Cl)ccc2O)[C@]12CCCO2 ZINC000845111608 748183109 /nfs/dbraw/zinc/18/31/09/748183109.db2.gz RBBRNIQOAURIMY-BFYDXBDKSA-N 0 0 354.834 2.571 20 10 FFCDRN O=C(COC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(O)c(O)c1 ZINC000845316011 748225791 /nfs/dbraw/zinc/22/57/91/748225791.db2.gz FAMCKYHVIKRTFA-MNOVXSKESA-N 0 0 362.300 2.571 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)C(=O)Nc1nc2c(s1)CCCC2 ZINC000846120880 748411228 /nfs/dbraw/zinc/41/12/28/748411228.db2.gz FZSIQAXEUHKINA-UHFFFAOYSA-N 0 0 365.842 2.636 20 10 FFCDRN CC(C)c1cnc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)s1 ZINC000846120963 748411853 /nfs/dbraw/zinc/41/18/53/748411853.db2.gz HAGNLBCYVNOAHI-UHFFFAOYSA-N 0 0 353.831 2.880 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000846206614 748430683 /nfs/dbraw/zinc/43/06/83/748430683.db2.gz QSZYWIXINVNLLV-VHSXEESVSA-N 0 0 371.250 2.955 20 10 FFCDRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846471986 748487027 /nfs/dbraw/zinc/48/70/27/748487027.db2.gz DXCUZQPFOYAOOP-CHWSQXEVSA-N 0 0 352.862 2.947 20 10 FFCDRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846474100 748488149 /nfs/dbraw/zinc/48/81/49/748488149.db2.gz ZAUQRKNVDNPTHH-QGZVFWFLSA-N 0 0 358.825 2.635 20 10 FFCDRN CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477169 748488960 /nfs/dbraw/zinc/48/89/60/748488960.db2.gz QLGPLQFHQKIZNS-AWEZNQCLSA-N 0 0 372.824 2.867 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000846480301 748489744 /nfs/dbraw/zinc/48/97/44/748489744.db2.gz VBDFMWHGXVEAMI-OAHLLOKOSA-N 0 0 358.825 2.711 20 10 FFCDRN C[C@@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1cc(Br)ccc1O ZINC000848556859 748960219 /nfs/dbraw/zinc/96/02/19/748960219.db2.gz FICKLCKDIVLPEB-NOZJJQNGSA-N 0 0 367.247 2.975 20 10 FFCDRN COc1cccc(O)c1CN[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC000848568445 748962365 /nfs/dbraw/zinc/96/23/65/748962365.db2.gz ITCXPTNDEMTUJP-CYBMUJFWSA-N 0 0 364.364 2.946 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)c(F)cc1[O-] ZINC000848571683 748963406 /nfs/dbraw/zinc/96/34/06/748963406.db2.gz RFYSTZQZYLWELP-PSASIEDQSA-N 0 0 373.222 2.928 20 10 FFCDRN COc1ccccc1CNC(=[NH2+])NCc1cccc(Br)c1[O-] ZINC000849105469 749052118 /nfs/dbraw/zinc/05/21/18/749052118.db2.gz OFCQVCGLMVJJAQ-UHFFFAOYSA-N 0 0 364.243 2.977 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@@H](OC)C2CCCC2)c1 ZINC000849375860 749119804 /nfs/dbraw/zinc/11/98/04/749119804.db2.gz GJSFIBIARJBJCS-YVEFUNNKSA-N 0 0 357.472 2.586 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@H](OC)C2CCCCC2)c1 ZINC000849376745 749120269 /nfs/dbraw/zinc/12/02/69/749120269.db2.gz ULVQCTVIYGRLQF-UGSOOPFHSA-N 0 0 371.499 2.977 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)Cc3cccc(F)c3)C2)cc1 ZINC000849416613 749143250 /nfs/dbraw/zinc/14/32/50/749143250.db2.gz SYSFNVQBVRLNMZ-MRXNPFEDSA-N 0 0 364.442 2.533 20 10 FFCDRN COc1cc(Br)cc(CN[C@@H]2C[C@H](C)n3ncnc32)c1O ZINC000850351709 749349747 /nfs/dbraw/zinc/34/97/47/749349747.db2.gz GYPOVRBWLFUZNI-GZMMTYOYSA-N 0 0 353.220 2.550 20 10 FFCDRN COc1ccc(N2CCN(Cc3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000851713356 749649025 /nfs/dbraw/zinc/64/90/25/749649025.db2.gz CEUBSZSCQNTLEW-UHFFFAOYSA-N 0 0 358.389 2.888 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@H]3C(C)(C)C3(F)F)C2)cc1 ZINC000852450645 749862556 /nfs/dbraw/zinc/86/25/56/749862556.db2.gz QYQZKXUNZGIJCY-WFASDCNBSA-N 0 0 353.413 2.864 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCO[C@@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000853998574 750222106 /nfs/dbraw/zinc/22/21/06/750222106.db2.gz ZSQYWPWKWDRSSS-DQOPKJQZSA-N 0 0 356.325 2.641 20 10 FFCDRN COc1cc(Br)cc(C[NH2+]C[C@H](C(=O)[O-])C2CCC2)c1O ZINC000854247903 750268077 /nfs/dbraw/zinc/26/80/77/750268077.db2.gz KBUOBRHJSQLOHJ-LBPRGKRZSA-N 0 0 358.232 2.754 20 10 FFCDRN CCON1CCC(CC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000854442780 750308954 /nfs/dbraw/zinc/30/89/54/750308954.db2.gz XGSFGHKIVNPFQO-UHFFFAOYSA-N 0 0 371.275 2.825 20 10 FFCDRN Cn1cc(Cl)cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000057368301 845368655 /nfs/dbraw/zinc/36/86/55/845368655.db2.gz MMYFJBQKHNLCGQ-UHFFFAOYSA-N 0 0 351.809 2.584 20 10 FFCDRN COc1ccc(N2CCN(Cn3nc(C4CC4)n(C)c3=S)CC2)cc1 ZINC000058592240 845401075 /nfs/dbraw/zinc/40/10/75/845401075.db2.gz JRVCTORZLZQOBL-UHFFFAOYSA-N 0 0 359.499 2.617 20 10 FFCDRN CCOc1nn(CN2CCN(c3ccc(OC)cc3)CC2)c(=S)s1 ZINC000063123591 845456879 /nfs/dbraw/zinc/45/68/79/845456879.db2.gz ITBGVUCSNRIQDS-UHFFFAOYSA-N 0 0 366.512 2.861 20 10 FFCDRN CN(c1ccc(CNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C1CCCCC1 ZINC000072043674 845554170 /nfs/dbraw/zinc/55/41/70/845554170.db2.gz PPCGADBJJLXYCP-MRXNPFEDSA-N 0 0 364.511 2.506 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(N)cc1F ZINC000391896670 845848892 /nfs/dbraw/zinc/84/88/92/845848892.db2.gz CUXGGOYNWVCJDI-UHFFFAOYSA-N 0 0 351.447 2.685 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1nc(-c2ccncc2)cs1 ZINC000588408218 845957562 /nfs/dbraw/zinc/95/75/62/845957562.db2.gz NOMYZQDUFUXENE-RQOWECAXSA-N 0 0 353.403 2.946 20 10 FFCDRN CN(CC(=O)Nc1ccc(N2CCCCC2)nc1)c1ccc2c(c1)OCO2 ZINC000180185332 970793162 /nfs/dbraw/zinc/79/31/62/970793162.db2.gz HROBOYXBADNDBV-UHFFFAOYSA-N 0 0 368.437 2.876 20 10 FFCDRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180626481 970841079 /nfs/dbraw/zinc/84/10/79/970841079.db2.gz RCIAKABSWDVUER-CSKARUKUSA-N 0 0 354.406 2.825 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1ccc(C(N)=O)cc1 ZINC000840256188 970851708 /nfs/dbraw/zinc/85/17/08/970851708.db2.gz MRHUFLWDSYBNED-OAHLLOKOSA-N 0 0 368.481 2.590 20 10 FFCDRN Cc1nn(C)c(C)c1CNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840313141 971040617 /nfs/dbraw/zinc/04/06/17/971040617.db2.gz RDGADMDAWNUKNI-AWEZNQCLSA-N 0 0 357.502 2.842 20 10 FFCDRN Nc1ccc(NCc2cc(F)c(N3CCOCC3)c(F)c2)c([N+](=O)[O-])c1 ZINC000840327146 971078364 /nfs/dbraw/zinc/07/83/64/971078364.db2.gz YPSDBPCQZXIJST-UHFFFAOYSA-N 0 0 364.352 2.904 20 10 FFCDRN Nc1nc(NCc2cc(F)c(N3CCOCC3)c(F)c2)nc2ccccc12 ZINC000840326333 971082849 /nfs/dbraw/zinc/08/28/49/971082849.db2.gz RJLYHPNABWVXDI-UHFFFAOYSA-N 0 0 371.391 2.939 20 10 FFCDRN Cc1cc(C[C@@H](C)NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)[nH]n1 ZINC000840327658 971083145 /nfs/dbraw/zinc/08/31/45/971083145.db2.gz BYVIHHIQKNIAJN-LSDHHAIUSA-N 0 0 357.502 2.954 20 10 FFCDRN Cn1cnc(-c2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cc2)n1 ZINC000184058732 971162372 /nfs/dbraw/zinc/16/23/72/971162372.db2.gz DGGHKOQPUFXIAJ-UHFFFAOYSA-N 0 0 362.433 2.997 20 10 FFCDRN C[C@H]1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC[C@H]1O ZINC000888587689 1013071818 /nfs/dbraw/zinc/07/18/18/1013071818.db2.gz KPGGGLYCILYJTE-DZGCQCFKSA-N 0 0 351.410 2.631 20 10 FFCDRN CC(=O)N1CC[C@@H](CN(C)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840479029 971355218 /nfs/dbraw/zinc/35/52/18/971355218.db2.gz FDPWPVOWGYRWQH-WMZOPIPTSA-N 0 0 374.529 2.502 20 10 FFCDRN CC(C)NC(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000186442804 971366023 /nfs/dbraw/zinc/36/60/23/971366023.db2.gz BILATXUOQWASSS-ZDUSSCGKSA-N 0 0 356.422 2.597 20 10 FFCDRN O=C(NCC[C@H]1CCOC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888588054 1013088155 /nfs/dbraw/zinc/08/81/55/1013088155.db2.gz QOEQXHJJMMOOPQ-AWEZNQCLSA-N 0 0 351.410 2.944 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)nn3cccnc23)cc1F ZINC000066841653 971540588 /nfs/dbraw/zinc/54/05/88/971540588.db2.gz PAHJYVVSNRDCEI-UHFFFAOYSA-N 0 0 355.417 2.953 20 10 FFCDRN O=C([O-])c1ccccc1C1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC001595253828 949567919 /nfs/dbraw/zinc/56/79/19/949567919.db2.gz CNNIISZDTNCLSW-IBGZPJMESA-N 0 0 369.417 2.896 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@@H](C4CCOCC4)C3)cc2N1 ZINC000896586818 971611196 /nfs/dbraw/zinc/61/11/96/971611196.db2.gz NGUIDOWGTAOSOJ-CYBMUJFWSA-N 0 0 361.398 2.569 20 10 FFCDRN CN(C[C@@H](O)C1CC1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888589575 1013098917 /nfs/dbraw/zinc/09/89/17/1013098917.db2.gz MEINGYXOUSTZIC-OAHLLOKOSA-N 0 0 351.410 2.631 20 10 FFCDRN CCOC[C@H](NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1)C(C)C ZINC000191807770 971663768 /nfs/dbraw/zinc/66/37/68/971663768.db2.gz NDEATLJEHCKUQK-KRWDZBQOSA-N 0 0 367.465 2.727 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC[C@@H]1CC=CCC1 ZINC000124493985 972307445 /nfs/dbraw/zinc/30/74/45/972307445.db2.gz MXCGVIZOHJYOEQ-OAHLLOKOSA-N 0 0 361.461 2.942 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cccc2c1OCCC2 ZINC000650184517 960136378 /nfs/dbraw/zinc/13/63/78/960136378.db2.gz NJJFNDIYYVGLKY-UHFFFAOYSA-N 0 0 374.462 2.665 20 10 FFCDRN O=C(CN1CC[C@H](c2ccccc2)NC1=O)NCc1cccc(Cl)c1O ZINC000890761341 960323976 /nfs/dbraw/zinc/32/39/76/960323976.db2.gz OWOGPZDIEJRTSY-MRXNPFEDSA-N 0 0 373.840 2.818 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cnc3n2CCOC3)cc1 ZINC000890843382 960686436 /nfs/dbraw/zinc/68/64/36/960686436.db2.gz ZAAHEDDJUVRJLC-UHFFFAOYSA-N 0 0 350.422 2.751 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCO[C@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000872751624 1013256461 /nfs/dbraw/zinc/25/64/61/1013256461.db2.gz QNQGMSJASYAPML-KQIUPUNMSA-N 0 0 374.315 2.939 20 10 FFCDRN C[C@H](NC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000773390169 1013266685 /nfs/dbraw/zinc/26/66/85/1013266685.db2.gz JFNKVAQDQMZCBF-YJBOKZPZSA-N 0 0 372.513 2.904 20 10 FFCDRN CN(C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC(C)(C)C1 ZINC000891084314 961902242 /nfs/dbraw/zinc/90/22/42/961902242.db2.gz NLXBIDLYIFXTJK-UHFFFAOYSA-N 0 0 372.513 2.718 20 10 FFCDRN CCN(C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)[C@@H](C)C(C)C ZINC000891086551 961915411 /nfs/dbraw/zinc/91/54/11/961915411.db2.gz BOBMCPWZJPMHBY-INIZCTEOSA-N 0 0 374.529 2.964 20 10 FFCDRN Cc1nn(CC(=O)OCC(=O)c2ccc(O)c(O)c2)cc1-c1ccccc1 ZINC000785010441 962419683 /nfs/dbraw/zinc/41/96/83/962419683.db2.gz LLWKOCLRVZKXMN-UHFFFAOYSA-N 0 0 366.373 2.696 20 10 FFCDRN CN1C[C@@H](c2ccccc2)[C@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001276063279 1013389941 /nfs/dbraw/zinc/38/99/41/1013389941.db2.gz CTUFWPDYRXXFTF-GHTZIAJQSA-N 0 0 354.425 2.979 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(-n2cnc3ccccc32)nc1 ZINC000160735651 963429317 /nfs/dbraw/zinc/42/93/17/963429317.db2.gz CGUCDOFGMYBBRH-UHFFFAOYSA-N 0 0 374.400 2.804 20 10 FFCDRN CN1C[C@H](c2ccccc2)[C@@]2(CC[N@H+](Cc3cccc(F)c3[O-])C2)C1=O ZINC001276085415 1013431325 /nfs/dbraw/zinc/43/13/25/1013431325.db2.gz ICIQSCZVKGWOKD-UTKZUKDTSA-N 0 0 354.425 2.979 20 10 FFCDRN CCN(CC)C(=O)c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000588406326 963621539 /nfs/dbraw/zinc/62/15/39/963621539.db2.gz MOTDGJIGTMCGEI-WQLSENKSSA-N 0 0 368.433 2.909 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)/C=C\c2cncc(C(=O)NC)c2)cc1 ZINC000255355122 964167135 /nfs/dbraw/zinc/16/71/35/964167135.db2.gz VHZCLWMUDHFTRE-FLIBITNWSA-N 0 0 366.465 2.617 20 10 FFCDRN Cc1ccc(O)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000098093756 1013477982 /nfs/dbraw/zinc/47/79/82/1013477982.db2.gz FKHKEGDLTCCGPG-UHFFFAOYSA-N 0 0 354.450 2.839 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(-n2nnnc2C)cc1F ZINC000825679138 1013541350 /nfs/dbraw/zinc/54/13/50/1013541350.db2.gz MRIVHXMRPSJNJL-UHFFFAOYSA-N 0 0 369.400 2.868 20 10 FFCDRN Cc1cc(C(=O)CSc2nc(N)nc(N)n2)c(C)n1-c1ccc(C)cc1 ZINC000022714928 965235037 /nfs/dbraw/zinc/23/50/37/965235037.db2.gz CDGFFXLCKHYHBI-UHFFFAOYSA-N 0 0 368.466 2.727 20 10 FFCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894593885 965507638 /nfs/dbraw/zinc/50/76/38/965507638.db2.gz ZDCHKCLCMRLSBH-VQIMIIECSA-N 0 0 357.498 2.831 20 10 FFCDRN C[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)C(=O)N1CCCC[C@@H]1C ZINC000176258098 965614345 /nfs/dbraw/zinc/61/43/45/965614345.db2.gz JNQGOOZBJFOVEQ-LSDHHAIUSA-N 0 0 373.497 2.860 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2Cc3ccccc3OC2=O)cc1 ZINC000843758216 965660698 /nfs/dbraw/zinc/66/06/98/965660698.db2.gz LHMVGESYXONVJI-UHFFFAOYSA-N 0 0 353.422 2.726 20 10 FFCDRN COc1cc(C)cc(CNc2ccc(C3CC(=O)NC(=O)C3)cc2)c1O ZINC000894870805 965993232 /nfs/dbraw/zinc/99/32/32/965993232.db2.gz PSXRWBUJZAVWLZ-UHFFFAOYSA-N 0 0 354.406 2.842 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000588495321 966101758 /nfs/dbraw/zinc/10/17/58/966101758.db2.gz IQRVBGOITQKDLU-ALCCZGGFSA-N 0 0 371.408 2.846 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)NC(=O)c2ccco2)cc1 ZINC000024187435 966399690 /nfs/dbraw/zinc/39/96/90/966399690.db2.gz ICUDUCHOZUOMMQ-HNNXBMFYSA-N 0 0 357.454 2.903 20 10 FFCDRN C[C@H](NC(=O)c1cn2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000065560839 966660525 /nfs/dbraw/zinc/66/05/25/966660525.db2.gz GLPFGJARPAYEJU-HNNXBMFYSA-N 0 0 350.422 2.662 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cncc(N(C)C)c1 ZINC000873869996 1013669952 /nfs/dbraw/zinc/66/99/52/1013669952.db2.gz USIQKRNJMWXZKI-UHFFFAOYSA-N 0 0 370.453 2.621 20 10 FFCDRN Cc1cncc(/C=C\C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000255532674 966896197 /nfs/dbraw/zinc/89/61/97/966896197.db2.gz OFOSGWCAFWVIAN-HYXAFXHYSA-N 0 0 369.440 2.820 20 10 FFCDRN COCC[NH+](CCOC)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708147264 967075503 /nfs/dbraw/zinc/07/55/03/967075503.db2.gz WTNNJUVVVXSORK-UHFFFAOYSA-N 0 0 352.656 2.903 20 10 FFCDRN CSc1nc(NCCc2cc(O)c(O)cc2O)cc(N2CCCC2)n1 ZINC001168006599 967618119 /nfs/dbraw/zinc/61/81/19/967618119.db2.gz QRCMYZLCOKEHBA-UHFFFAOYSA-N 0 0 362.455 2.570 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)C3CC4(CCC4)C3)CC2)cc1 ZINC000843776373 967652058 /nfs/dbraw/zinc/65/20/58/967652058.db2.gz MWRUOYXEJDFFHX-UHFFFAOYSA-N 0 0 357.498 2.514 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](c3nncn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC001176622209 1013739272 /nfs/dbraw/zinc/73/92/72/1013739272.db2.gz OFMNLDOIRRTLGZ-HNNXBMFYSA-N 0 0 367.428 2.991 20 10 FFCDRN COC(=O)c1c(Cl)cc(Cl)nc1NCCc1cc(O)c(O)cc1O ZINC001168008842 967731200 /nfs/dbraw/zinc/73/12/00/967731200.db2.gz DJJDFVITGNSIKQ-UHFFFAOYSA-N 0 0 373.192 2.946 20 10 FFCDRN Oc1cc(O)c(CCNc2nc(Cl)nc(C3CCCC3)n2)cc1O ZINC001168010626 967829584 /nfs/dbraw/zinc/82/95/84/967829584.db2.gz YDLCIGRDUOBKSJ-UHFFFAOYSA-N 0 0 350.806 2.954 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1S(C)(=O)=O ZINC000052807257 967935608 /nfs/dbraw/zinc/93/56/08/967935608.db2.gz ZQBXLAJABNIICG-UHFFFAOYSA-N 0 0 372.490 2.929 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2Cc3cnccc3NC2=O)cc1 ZINC001176659736 1013758408 /nfs/dbraw/zinc/75/84/08/1013758408.db2.gz 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ZINC000906971123 981177704 /nfs/dbraw/zinc/17/77/04/981177704.db2.gz XRPAPGDHBLQGGJ-UHFFFAOYSA-N 0 0 374.462 2.512 20 10 FFCDRN C[C@@H](NC(=O)c1cccn(CC(F)(F)F)c1=O)c1ccc(N(C)C)cc1 ZINC000907492630 981257698 /nfs/dbraw/zinc/25/76/98/981257698.db2.gz LGCILZDSOSJJIN-GFCCVEGCSA-N 0 0 367.371 2.968 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000031728448 981854839 /nfs/dbraw/zinc/85/48/39/981854839.db2.gz IUFBBWKYWWVJRP-HXUWFJFHSA-N 0 0 352.482 2.951 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1nnn(C)c1C(F)(F)F ZINC000910559557 981996454 /nfs/dbraw/zinc/99/64/54/981996454.db2.gz VBKLFEJXRAZLDO-NSHDSACASA-N 0 0 369.391 2.569 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc2n(n1)CCCC2=O ZINC000910558760 981996960 /nfs/dbraw/zinc/99/69/60/981996960.db2.gz PYGKPVMYNWBXNS-AWEZNQCLSA-N 0 0 354.454 2.595 20 10 FFCDRN COc1ccc(N2CCCN(CC(=O)Nc3ncccc3C)CC2)cc1 ZINC000877983276 1014795745 /nfs/dbraw/zinc/79/57/45/1014795745.db2.gz IITDYKNBHDWMGC-UHFFFAOYSA-N 0 0 354.454 2.549 20 10 FFCDRN Cc1ccc(N2C[C@@H](C(=O)NCc3ccc(O)cc3O)CCC2=O)cc1C ZINC000910949345 982098116 /nfs/dbraw/zinc/09/81/16/982098116.db2.gz JUEZQXGDNSSRRQ-INIZCTEOSA-N 0 0 368.433 2.774 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N(Cc2cccc(F)c2)C2CCC2)cc1 ZINC000911287736 982204850 /nfs/dbraw/zinc/20/48/50/982204850.db2.gz FXHKPUAMKZHKEW-UHFFFAOYSA-N 0 0 369.440 2.648 20 10 FFCDRN C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000911287271 982204887 /nfs/dbraw/zinc/20/48/87/982204887.db2.gz DGVJWXHEMPBZGO-OXQOHEQNSA-N 0 0 365.477 2.722 20 10 FFCDRN CCN(C)C(=O)c1cccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000729534972 982219557 /nfs/dbraw/zinc/21/95/57/982219557.db2.gz GUUNLSWCFOVQJS-CYBMUJFWSA-N 0 0 356.422 2.984 20 10 FFCDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCCc1ccc(N)cc1 ZINC000841956283 982463692 /nfs/dbraw/zinc/46/36/92/982463692.db2.gz APDFAKJWJCCWKP-AWEZNQCLSA-N 0 0 368.485 2.847 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCC(OC[C@H]3CCCCO3)CC2)cc1 ZINC000841956905 982467048 /nfs/dbraw/zinc/46/70/48/982467048.db2.gz BLVYLERMYGRMDK-LJQANCHMSA-N 0 0 361.486 2.571 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCC(O)(Cc3ccc(F)cc3)CC2)cc1 ZINC000841959396 982470477 /nfs/dbraw/zinc/47/04/77/982470477.db2.gz NQJBTDJTENBBOB-UHFFFAOYSA-N 0 0 371.456 2.730 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1nnc(-c2cccc(O)c2)o1 ZINC000878319574 1014983898 /nfs/dbraw/zinc/98/38/98/1014983898.db2.gz WNMILXHAYQFCPN-UHFFFAOYSA-N 0 0 352.394 2.907 20 10 FFCDRN CCOC(=O)N1CC[C@@H](NC(=O)N(CC)Cc2ccc(N(C)C)cc2)C1 ZINC000185929125 984062202 /nfs/dbraw/zinc/06/22/02/984062202.db2.gz SJVGMIQQPRIWON-MRXNPFEDSA-N 0 0 362.474 2.515 20 10 FFCDRN CC[C@](CNC(=O)/C=C/c1ccc(O)c(O)c1)(C(=O)OC)c1ccccc1 ZINC001299266779 984094818 /nfs/dbraw/zinc/09/48/18/984094818.db2.gz OVOXRXOICIBLEI-XMZCSZCVSA-N 0 0 369.417 2.748 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000150939665 984132888 /nfs/dbraw/zinc/13/28/88/984132888.db2.gz MBBBPDCZYRHIOW-MRXNPFEDSA-N 0 0 371.460 2.673 20 10 FFCDRN Cc1cc(C(=O)OCCN2C(=O)CCC2=O)c(C)n1-c1cccc(C)c1 ZINC000913226052 984209935 /nfs/dbraw/zinc/20/99/35/984209935.db2.gz RXFLDRHZDUNBAL-UHFFFAOYSA-N 0 0 354.406 2.708 20 10 FFCDRN CCn1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000878387344 1015020714 /nfs/dbraw/zinc/02/07/14/1015020714.db2.gz XUYSLIAJAQTIEG-UHFFFAOYSA-N 0 0 354.454 2.547 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2cnn(C)c2)CCCC1 ZINC000651168332 1015015662 /nfs/dbraw/zinc/01/56/62/1015015662.db2.gz RFRNTORKFIOLMK-UHFFFAOYSA-N 0 0 352.438 2.579 20 10 FFCDRN Cn1c(=O)oc2cc(NC(=O)NCc3ccc(N4CC=CC4)cc3)ccc21 ZINC000151451116 984293970 /nfs/dbraw/zinc/29/39/70/984293970.db2.gz GMJBDRHYMFQDNL-UHFFFAOYSA-N 0 0 364.405 2.829 20 10 FFCDRN Cc1cc(CCNC(=O)NCCc2ccn(C)n2)c(C)n1-c1ccccc1 ZINC000760687900 984396921 /nfs/dbraw/zinc/39/69/21/984396921.db2.gz VPPACPGZWFDCOC-UHFFFAOYSA-N 0 0 365.481 2.912 20 10 FFCDRN O=C(NCc1ccc(F)cn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000764376056 984462604 /nfs/dbraw/zinc/46/26/04/984462604.db2.gz 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ZINC000058971980 984700763 /nfs/dbraw/zinc/70/07/63/984700763.db2.gz ZUQFLSQWLWASLI-UHFFFAOYSA-N 0 0 358.417 2.638 20 10 FFCDRN C[C@H]1CN(c2ccc(CN3C(=O)N(C)C(C)(C)C3=O)cc2F)C[C@H](C)O1 ZINC000761090006 984772784 /nfs/dbraw/zinc/77/27/84/984772784.db2.gz HNNDCACCRYQCQL-STQMWFEESA-N 0 0 363.433 2.612 20 10 FFCDRN O=C(CNC(=O)NCc1ccc(N2CCCC2)cc1)OCc1ccccc1 ZINC000060624067 984947776 /nfs/dbraw/zinc/94/77/76/984947776.db2.gz METMJJQLBVWEED-UHFFFAOYSA-N 0 0 367.449 2.829 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)N[C@H](Cc3ccncc3)C2=O)cc1F ZINC000761247414 984996834 /nfs/dbraw/zinc/99/68/34/984996834.db2.gz APGKJPVHXIXDGM-QGZVFWFLSA-N 0 0 370.428 2.730 20 10 FFCDRN Cc1cc(C)nc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000765292450 985026196 /nfs/dbraw/zinc/02/61/96/985026196.db2.gz KIZIXICVOLRJSR-UHFFFAOYSA-N 0 0 358.417 2.996 20 10 FFCDRN O=C1N[C@@]2(CCc3ccccc32)C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000761356935 985226122 /nfs/dbraw/zinc/22/61/22/985226122.db2.gz CKKGULLAFAALBY-JOCHJYFZSA-N 0 0 359.429 2.956 20 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20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000842516499 1030776798 /nfs/dbraw/zinc/77/67/98/1030776798.db2.gz BPSLERPBJITBLN-OKZBNKHCSA-N 0 0 357.498 2.794 20 10 FFCDRN COC[C@H]1Cn2ccnc2CN(Cc2cc(Br)ccc2O)C1 ZINC001203639900 1030800595 /nfs/dbraw/zinc/80/05/95/1030800595.db2.gz MCKFGFATDFRPDM-GFCCVEGCSA-N 0 0 366.259 2.630 20 10 FFCDRN CNC(=O)c1ccc(Nc2ccc(C(=O)Oc3ccc(N)cc3)cc2)cn1 ZINC001203641567 1030800963 /nfs/dbraw/zinc/80/09/63/1030800963.db2.gz IOYQQDWZBSBWMU-UHFFFAOYSA-N 0 0 362.389 2.986 20 10 FFCDRN CCN(CC)c1ccnc([C@@H]2COCCN2Cc2cc(OC)ccc2O)n1 ZINC001203674834 1030820039 /nfs/dbraw/zinc/82/00/39/1030820039.db2.gz CVYMMCYHPUNFGT-KRWDZBQOSA-N 0 0 372.469 2.611 20 10 FFCDRN COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1cc(OC)ccc1O ZINC001203683724 1030825120 /nfs/dbraw/zinc/82/51/20/1030825120.db2.gz BAPNVHJLBGHWIG-OALUTQOASA-N 0 0 357.406 2.516 20 10 FFCDRN CS(=O)(=O)c1cccc([C@@H]2CCCN(Cc3ccc(O)c(O)c3)C2)c1 ZINC001203880816 1030954797 /nfs/dbraw/zinc/95/47/97/1030954797.db2.gz ISYUSBMXLSIISV-MRXNPFEDSA-N 0 0 361.463 2.881 20 10 FFCDRN Oc1ccc(CN2CC[C@@H](Oc3cc(C(F)(F)F)ncn3)C2)cc1O ZINC001203883030 1030955413 /nfs/dbraw/zinc/95/54/13/1030955413.db2.gz CAXQISZMQVAXTQ-LLVKDONJSA-N 0 0 355.316 2.560 20 10 FFCDRN COC(=O)[C@@H]1CN(Cc2ccccc2)CCN1Cc1ccc(N(C)C)cc1 ZINC001203937134 1030994530 /nfs/dbraw/zinc/99/45/30/1030994530.db2.gz MGRCFBNPBYSMFR-NRFANRHFSA-N 0 0 367.493 2.612 20 10 FFCDRN CN(C)c1ccc(CN2CCN(c3ncc(C(F)(F)F)cn3)CC2)cc1 ZINC001203937867 1030996621 /nfs/dbraw/zinc/99/66/21/1030996621.db2.gz WGKFRSDUQNGZQC-UHFFFAOYSA-N 0 0 365.403 2.884 20 10 FFCDRN CCN(CC)c1ccc(CN2Cc3nnn(CC)c3[C@H](COC)C2)cc1 ZINC001203939927 1030997110 /nfs/dbraw/zinc/99/71/10/1030997110.db2.gz GGQQLJIFXCHCBL-KRWDZBQOSA-N 0 0 357.502 2.890 20 10 FFCDRN CCOc1cnc(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000842875122 1031008348 /nfs/dbraw/zinc/00/83/48/1031008348.db2.gz KGWALXFRAYXZIF-AWEZNQCLSA-N 0 0 357.410 2.567 20 10 FFCDRN CNC(=O)c1cccc(C(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000842877494 1031009490 /nfs/dbraw/zinc/00/94/90/1031009490.db2.gz BKORHHHKQTZFQF-OAHLLOKOSA-N 0 0 368.433 2.738 20 10 FFCDRN CCC(=O)N1CCCC[C@H]1C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842877883 1031010973 /nfs/dbraw/zinc/01/09/73/1031010973.db2.gz DRGXFOJEEGBOSB-LPHOPBHVSA-N 0 0 374.481 2.856 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)Cc3c(C)nn(C)c3C)C2)cc1 ZINC000842882866 1031018770 /nfs/dbraw/zinc/01/87/70/1031018770.db2.gz ZXEJOUQKEZNPCR-INIZCTEOSA-N 0 0 357.454 2.658 20 10 FFCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CC(C)=C[C@H](C)C2)c1 ZINC000797415297 1031103461 /nfs/dbraw/zinc/10/34/61/1031103461.db2.gz AWEXLNRKPYJKSM-HNNXBMFYSA-N 0 0 358.482 2.825 20 10 FFCDRN COc1ccc(-c2nc(CCNC(=O)Cc3ccc(O)c(O)c3)co2)cc1 ZINC001142971400 1031106827 /nfs/dbraw/zinc/10/68/27/1031106827.db2.gz RRRDOOMLEFERLC-UHFFFAOYSA-N 0 0 368.389 2.663 20 10 FFCDRN CNC(=O)C[C@H](NC(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC000797545362 1031150395 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CCC1(NC(=O)OC(C)(C)C)CN(Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204349749 1031244481 /nfs/dbraw/zinc/24/44/81/1031244481.db2.gz WXNAXRUHVSTZJI-UHFFFAOYSA-N 0 0 352.431 2.596 20 10 FFCDRN CC(C)(C)C[C@H]1NC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000843305688 1031300421 /nfs/dbraw/zinc/30/04/21/1031300421.db2.gz DSPBBDBTCQBHDL-OAHLLOKOSA-N 0 0 363.433 2.519 20 10 FFCDRN CC[C@H](C)C[C@@H]1NC(=O)N(C[C@@H]2CCN(c3ccc(OC)cc3)C2)C1=O ZINC000843307984 1031302019 /nfs/dbraw/zinc/30/20/19/1031302019.db2.gz CBBADLZWNZHMGU-DAYGRLMNSA-N 0 0 359.470 2.878 20 10 FFCDRN CCc1ccnc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000798119539 1031311967 /nfs/dbraw/zinc/31/19/67/1031311967.db2.gz GZMMHEWUZWTKLP-UHFFFAOYSA-N 0 0 368.481 2.822 20 10 FFCDRN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCCO1 ZINC000798387395 1031384921 /nfs/dbraw/zinc/38/49/21/1031384921.db2.gz GFJSOOCQNHDMID-VQIMIIECSA-N 0 0 361.486 2.795 20 10 FFCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)c1[nH]nc2ncccc21 ZINC001149393612 1031501958 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CCn1ncc2cc(C(=O)NCc3ccc(N(C)C)c(F)c3)c(C)nc21 ZINC000799322170 1031736979 /nfs/dbraw/zinc/73/69/79/1031736979.db2.gz DVDFMPOZSABNNP-UHFFFAOYSA-N 0 0 355.417 2.895 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCOC4)CC2)cc1F ZINC000829869491 1033372118 /nfs/dbraw/zinc/37/21/18/1033372118.db2.gz ROVLZWLNZHODSP-UHFFFAOYSA-N 0 0 370.424 2.869 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3nccc4occc43)CC2)cc1F ZINC000829869415 1033373272 /nfs/dbraw/zinc/37/32/72/1033373272.db2.gz PPZNDSMSQLACSC-UHFFFAOYSA-N 0 0 355.369 2.938 20 10 FFCDRN O=S(=O)(CCOCc1ccccc1)NCc1ccc(N2CCCC2)cc1 ZINC000829957243 1033410158 /nfs/dbraw/zinc/41/01/58/1033410158.db2.gz BIVGXKPLAIPCME-UHFFFAOYSA-N 0 0 374.506 2.923 20 10 FFCDRN O=C(Nc1ccc(O[C@H]2CCNCC2(F)F)cc1)c1cccc(O)c1O ZINC001219461074 1033655960 /nfs/dbraw/zinc/65/59/60/1033655960.db2.gz FXWCRVVRQCSESU-HNNXBMFYSA-N 0 0 364.348 2.726 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2N2CCCC2=O)c1 ZINC000830540482 1033662121 /nfs/dbraw/zinc/66/21/21/1033662121.db2.gz KVFNCPHUDDOXKQ-LXZKKBNFSA-N 0 0 360.454 2.759 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1O ZINC000830541084 1033664775 /nfs/dbraw/zinc/66/47/75/1033664775.db2.gz RZAHIHSTMXFDGS-UHFFFAOYSA-N 0 0 354.406 2.585 20 10 FFCDRN O=C1N(Cc2ccncc2)CC[C@]12CCC[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001138126599 1033807665 /nfs/dbraw/zinc/80/76/65/1033807665.db2.gz FBEKXXNBRHGCNE-NRFANRHFSA-N 0 0 369.440 2.941 20 10 FFCDRN Cn1ccc(CN2CCCC23CC[NH+](Cc2cccc(F)c2[O-])CC3)n1 ZINC001138127255 1033808165 /nfs/dbraw/zinc/80/81/65/1033808165.db2.gz VEMTZVVDTOINOE-UHFFFAOYSA-N 0 0 358.461 2.895 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc([Si](C)(C)C)cc1 ZINC001138152975 1033862905 /nfs/dbraw/zinc/86/29/05/1033862905.db2.gz UUUDCAHNFJIBGR-CQSZACIVSA-N 0 0 357.526 2.933 20 10 FFCDRN Cc1c(CN2CCn3c(Br)nnc3C2)c2ccccc2n1C ZINC001138256696 1034026152 /nfs/dbraw/zinc/02/61/52/1034026152.db2.gz HDXWIQHAEOCREO-UHFFFAOYSA-N 0 0 360.259 2.857 20 10 FFCDRN COc1ccc(N(CC(=O)Nc2ccccc2C(N)=O)CC2CC2)cc1 ZINC000831588091 1034139065 /nfs/dbraw/zinc/13/90/65/1034139065.db2.gz SKRFUTFUNUEGEV-UHFFFAOYSA-N 0 0 353.422 2.649 20 10 FFCDRN Oc1c(CN2CC(N3CCC(F)(F)C3)C2)cc2c3c1CCCN3CCC2 ZINC001138339947 1034170123 /nfs/dbraw/zinc/17/01/23/1034170123.db2.gz NYPHOUKPPDPSHQ-UHFFFAOYSA-N 0 0 363.452 2.616 20 10 FFCDRN CSc1nnc(CNC(=O)c2cc3cc(O)c(O)cc3s2)s1 ZINC001138362466 1034196948 /nfs/dbraw/zinc/19/69/48/1034196948.db2.gz GDGZAIPSYYETNT-UHFFFAOYSA-N 0 0 353.450 2.816 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1 ZINC000831924959 1034414097 /nfs/dbraw/zinc/41/40/97/1034414097.db2.gz PNYJIGLEEQXGES-LLVKDONJSA-N 0 0 367.405 2.849 20 10 FFCDRN O=C1CCCN(Cc2ccc(N3CCOCC3)c(Br)c2)CC1 ZINC001138678966 1034538779 /nfs/dbraw/zinc/53/87/79/1034538779.db2.gz ZICMGISUWLJDGD-UHFFFAOYSA-N 0 0 367.287 2.841 20 10 FFCDRN CCO[C@H]1COCC[C@@H]1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000832167696 1034603951 /nfs/dbraw/zinc/60/39/51/1034603951.db2.gz JHPGONLHTSZPIP-PMACEKPBSA-N 0 0 356.466 2.947 20 10 FFCDRN CCO[C@@H]1COCC[C@H]1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000832167899 1034604319 /nfs/dbraw/zinc/60/43/19/1034604319.db2.gz JHPGONLHTSZPIP-WOJBJXKFSA-N 0 0 356.466 2.947 20 10 FFCDRN COC[C@]1(CO)CCN(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000832400870 1034779014 /nfs/dbraw/zinc/77/90/14/1034779014.db2.gz PAJGKHOTYTYYNH-JOCHJYFZSA-N 0 0 370.493 2.916 20 10 FFCDRN Cc1cc(CC(=O)N2CC[C@H](C)C[C@@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000832542227 1034853738 /nfs/dbraw/zinc/85/37/38/1034853738.db2.gz KRCSPNRLXPJDHV-IFXJQAMLSA-N 0 0 353.466 2.749 20 10 FFCDRN Cc1nnc(C2CC[NH+](Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)o1 ZINC001139132619 1034960446 /nfs/dbraw/zinc/96/04/46/1034960446.db2.gz YECWHNBIQWDGOJ-UHFFFAOYSA-N 0 0 355.394 2.878 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](CO)[C@@H]2C)CCCC1 ZINC001139276559 1035041478 /nfs/dbraw/zinc/04/14/78/1035041478.db2.gz WRRKLMNPEIFTFI-GJZGRUSLSA-N 0 0 356.466 2.758 20 10 FFCDRN COC(=O)c1ccc(CN2CCN(Cc3cc(F)ccc3O)CC2)cc1 ZINC001140054944 1035324681 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COc1ccc(N2CC[C@H](NC(=O)c3ccnc(-n4cccc4)c3)C2)cc1 ZINC001531740203 1062866218 /nfs/dbraw/zinc/86/62/18/1062866218.db2.gz GDPXABUWJXUKHY-KRWDZBQOSA-N 0 0 362.433 2.890 20 10 FFCDRN COC(=O)CNC(=O)CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001464897536 1062900657 /nfs/dbraw/zinc/90/06/57/1062900657.db2.gz DOWJSZJADJFPIM-UHFFFAOYSA-N 0 0 369.381 2.513 20 10 FFCDRN Cn1nnnc1-c1ccc(NC(=O)C2=S=C(c3ccccc3)C=C2)cc1 ZINC001437716836 1062902291 /nfs/dbraw/zinc/90/22/91/1062902291.db2.gz VHTHDSRLJBPUNG-UHFFFAOYSA-N 0 0 361.430 2.512 20 10 FFCDRN Nc1ncc(C(=O)N(Cc2ccco2)Cc2ccccc2O)cc1[N+](=O)[O-] ZINC001465841417 1063231716 /nfs/dbraw/zinc/23/17/16/1063231716.db2.gz WPRLQALVXKWSPK-UHFFFAOYSA-N 0 0 368.349 2.713 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC001465842836 1063232903 /nfs/dbraw/zinc/23/29/03/1063232903.db2.gz DNKHRYQRKIMPBE-UHFFFAOYSA-N 0 0 373.352 2.958 20 10 FFCDRN CCOC(=O)COc1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001466129047 1063334285 /nfs/dbraw/zinc/33/42/85/1063334285.db2.gz 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ZINC001469876157 1064222495 /nfs/dbraw/zinc/22/24/95/1064222495.db2.gz CGYVUFUUUTYMKX-UHFFFAOYSA-N 0 0 367.854 2.942 20 10 FFCDRN Cc1cc(CNC(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)c(C)n1-c1cccc(C)c1 ZINC001471033404 1064531237 /nfs/dbraw/zinc/53/12/37/1064531237.db2.gz FNROHMMUBZLCAE-HKUYNNGSSA-N 0 0 367.449 2.717 20 10 FFCDRN COc1ccc(C2(C(=O)NCc3cc(O)ccc3O)CCC2)cc1OC ZINC001471660831 1064749298 /nfs/dbraw/zinc/74/92/98/1064749298.db2.gz AZMPWWQCJIBVAL-UHFFFAOYSA-N 0 0 357.406 2.853 20 10 FFCDRN Cc1ccc(C)c(N2N=C(C(=O)NCc3cc(O)ccc3O)CCC2=O)c1 ZINC001471660563 1064749393 /nfs/dbraw/zinc/74/93/93/1064749393.db2.gz CRLKBPONXRMLME-UHFFFAOYSA-N 0 0 367.405 2.514 20 10 FFCDRN CO[C@@H]1CCCN(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1 ZINC001471940447 1064861776 /nfs/dbraw/zinc/86/17/76/1064861776.db2.gz BEONQIMCTCJFPQ-HXUWFJFHSA-N 0 0 369.465 2.591 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001472064009 1064915960 /nfs/dbraw/zinc/91/59/60/1064915960.db2.gz RTWHALQXNJWUBQ-UHFFFAOYSA-N 0 0 367.155 2.699 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1cc2c(cc1Cl)NC(=O)CO2 ZINC001472317113 1065013500 /nfs/dbraw/zinc/01/35/00/1065013500.db2.gz WGSNTQGEUWNXLX-UHFFFAOYSA-N 0 0 367.188 2.960 20 10 FFCDRN COC(=O)c1cc(OCCOCC(F)(F)C(F)F)ccc1N(C)C ZINC001473077180 1065194194 /nfs/dbraw/zinc/19/41/94/1065194194.db2.gz KDTJXZQGNRCWLE-UHFFFAOYSA-N 0 0 353.312 2.835 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)c1 ZINC001474012763 1065439553 /nfs/dbraw/zinc/43/95/53/1065439553.db2.gz UAZTUDFPIOGDSU-UHFFFAOYSA-N 0 0 361.373 2.566 20 10 FFCDRN C[N@H+](Cc1cc(Br)cc(F)c1[O-])C1CCS(=O)CC1 ZINC001474352004 1065501551 /nfs/dbraw/zinc/50/15/51/1065501551.db2.gz QKTGYXUMLLQRLO-UHFFFAOYSA-N 0 0 350.253 2.637 20 10 FFCDRN COCC(COC)S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001475004668 1065671529 /nfs/dbraw/zinc/67/15/29/1065671529.db2.gz PZGCVBKOJJQXFL-UHFFFAOYSA-N 0 0 371.499 2.518 20 10 FFCDRN Cc1cc(C(=O)NCc2nc(C(N)=O)co2)c(C)n1-c1cccc(Cl)c1 ZINC001584229441 1079325101 /nfs/dbraw/zinc/32/51/01/1079325101.db2.gz IIPJDJZNQXCHTF-UHFFFAOYSA-N 0 0 372.812 2.764 20 10 FFCDRN O=C(Nc1ccc2c(c1)CN(C(=O)c1cccc(O)c1O)C2)C(F)(F)F ZINC001584423126 1079350712 /nfs/dbraw/zinc/35/07/12/1079350712.db2.gz JNBFEUQJYDNJBV-UHFFFAOYSA-N 0 0 366.295 2.755 20 10 FFCDRN COC[C@H]1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001555346787 1075658971 /nfs/dbraw/zinc/65/89/71/1075658971.db2.gz YRZPXUMEXVPNPY-INIZCTEOSA-N 0 0 361.465 2.703 20 10 FFCDRN Cc1cc(-c2nc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)co2)ccn1 ZINC001556157385 1075710195 /nfs/dbraw/zinc/71/01/95/1075710195.db2.gz AJEFSOSVDSHOQI-GFCCVEGCSA-N 0 0 353.378 2.817 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)COCCc2ccccc2)cc1 ZINC001585449086 1079464604 /nfs/dbraw/zinc/46/46/04/1079464604.db2.gz FEUOWHKVUXUTRG-UHFFFAOYSA-N 0 0 356.466 2.849 20 10 FFCDRN CCc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1ccccc1OC ZINC001557085325 1075806263 /nfs/dbraw/zinc/80/62/63/1075806263.db2.gz JEUKBNVDKZJPIO-UHFFFAOYSA-N 0 0 367.405 2.785 20 10 FFCDRN CCC(=O)N1CCN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC001557110525 1075809375 /nfs/dbraw/zinc/80/93/75/1075809375.db2.gz OVDQIFOOPFABKE-UHFFFAOYSA-N 0 0 369.465 2.567 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)c1ncon1 ZINC001557271944 1075831199 /nfs/dbraw/zinc/83/11/99/1075831199.db2.gz VOMLCCVQDBQIQN-VIHMKRCTSA-N 0 0 351.362 2.594 20 10 FFCDRN C[C@H](c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1)N1CCOCC1 ZINC001585567856 1079476468 /nfs/dbraw/zinc/47/64/68/1079476468.db2.gz UJFOZSDBYQWBHZ-CQSZACIVSA-N 0 0 356.422 2.672 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001557512974 1075857310 /nfs/dbraw/zinc/85/73/10/1075857310.db2.gz LLNKTCLINPHXDE-QUZHSLKNSA-N 0 0 353.353 2.879 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2cc(-c3ccc([N+](=O)[O-])cc3)n[nH]2)c1 ZINC001557552088 1075860818 /nfs/dbraw/zinc/86/08/18/1075860818.db2.gz BWCZHOYDABSCEI-UHFFFAOYSA-N 0 0 352.350 2.929 20 10 FFCDRN CCn1cc(Cl)c(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC001585665164 1079485427 /nfs/dbraw/zinc/48/54/27/1079485427.db2.gz MYLNNPCDUZRQNX-CYBMUJFWSA-N 0 0 362.861 2.821 20 10 FFCDRN CCOC(=O)[C@](C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC001558421081 1076000682 /nfs/dbraw/zinc/00/06/82/1076000682.db2.gz OHUHJQFUNZRYGK-QXHGNLAOSA-N 0 0 355.390 2.706 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1cccc(C(=O)N2CCCCC2)c1 ZINC001558535851 1076027689 /nfs/dbraw/zinc/02/76/89/1076027689.db2.gz QMZZZPQXBATXQP-UHFFFAOYSA-N 0 0 354.406 2.654 20 10 FFCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)s1 ZINC001559416542 1076156795 /nfs/dbraw/zinc/15/67/95/1076156795.db2.gz NNUJFAAYJJILRG-QMMMGPOBSA-N 0 0 367.408 2.957 20 10 FFCDRN C[C@H]1CN(c2ccc(CNCc3nc(CO)cs3)cc2F)C[C@H](C)O1 ZINC001560274526 1076259635 /nfs/dbraw/zinc/25/96/35/1076259635.db2.gz JMYCERXRCSGHDD-STQMWFEESA-N 0 0 365.474 2.678 20 10 FFCDRN CO[C@@]1(CO)CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001560923804 1076310138 /nfs/dbraw/zinc/31/01/38/1076310138.db2.gz NEDSWTLLNLQPST-AWEZNQCLSA-N 0 0 364.667 2.781 20 10 FFCDRN CC(C)(C)OC(=O)NC1(CO)CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001561054623 1076325762 /nfs/dbraw/zinc/32/57/62/1076325762.db2.gz JXWJRKBMZBOJPX-UHFFFAOYSA-N 0 0 372.412 2.522 20 10 FFCDRN O=S(=O)(NCc1cc(Cl)ccc1O)c1ccc(Br)o1 ZINC001561725458 1076413791 /nfs/dbraw/zinc/41/37/91/1076413791.db2.gz YJLSEHRGRXHWBW-UHFFFAOYSA-N 0 0 366.620 2.880 20 10 FFCDRN COC(=O)c1c(Cl)cccc1S(=O)(=O)NCc1cc(C)ccc1O ZINC001561765401 1076419339 /nfs/dbraw/zinc/41/93/39/1076419339.db2.gz DXZIPODOZPSASZ-UHFFFAOYSA-N 0 0 369.826 2.619 20 10 FFCDRN CO[C@@H](CS(=O)(=O)N1Cc2cccc(O)c2C1)c1ccc(F)cc1 ZINC001561857327 1076434757 /nfs/dbraw/zinc/43/47/57/1076434757.db2.gz OXGNBDWATBUVPA-KRWDZBQOSA-N 0 0 351.399 2.564 20 10 FFCDRN CC[C@@H]1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@H]1C ZINC001563810561 1076584529 /nfs/dbraw/zinc/58/45/29/1076584529.db2.gz GSXYRYDVXTYFNV-ZWKOTPCHSA-N 0 0 374.529 2.647 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)N3C[C@H](C)[C@@H](C)[C@H]3C)CC2)cc1 ZINC001563811418 1076584891 /nfs/dbraw/zinc/58/48/91/1076584891.db2.gz XTWLIXJKKNTMDU-RCCFBDPRSA-N 0 0 374.529 2.503 20 10 FFCDRN COc1cccc(CNC(=O)NCCc2ccc([Si](C)(C)C)cc2)c1O ZINC001565088220 1076684125 /nfs/dbraw/zinc/68/41/25/1076684125.db2.gz VKTDKNBMPOVUGK-UHFFFAOYSA-N 0 0 372.541 2.988 20 10 FFCDRN Cn1cc(CCNC(=O)NCc2cccc(Cl)c2O)c2cccnc21 ZINC001565235402 1076701136 /nfs/dbraw/zinc/70/11/36/1076701136.db2.gz PTODNNZPUKHOBP-UHFFFAOYSA-N 0 0 358.829 2.974 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)C1(C)C ZINC001566359891 1076950929 /nfs/dbraw/zinc/95/09/29/1076950929.db2.gz QUTFHQPNOPTFKZ-IUODEOHRSA-N 0 0 364.442 2.653 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\c1cccnc1C ZINC001566850094 1076985486 /nfs/dbraw/zinc/98/54/86/1076985486.db2.gz WENAMPAFYYXBIY-YVMONPNESA-N 0 0 374.824 2.964 20 10 FFCDRN COc1cc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)nn1C ZINC001567757882 1077051441 /nfs/dbraw/zinc/05/14/41/1077051441.db2.gz MLXFUOSUBLLICV-UHFFFAOYSA-N 0 0 352.394 2.901 20 10 FFCDRN C[C@@H](NC(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1)c1ccc(N(C)C)cc1 ZINC001567779367 1077052295 /nfs/dbraw/zinc/05/22/95/1077052295.db2.gz SUWWSJMCDLJOKS-GFCCVEGCSA-N 0 0 358.442 2.922 20 10 FFCDRN O=C(CCOc1ccccc1[N+](=O)[O-])NCc1ccc2cccnc2c1O ZINC001570531340 1077213609 /nfs/dbraw/zinc/21/36/09/1077213609.db2.gz CYBSKGNTIJSDMZ-UHFFFAOYSA-N 0 0 367.361 2.934 20 10 FFCDRN COc1c(C(=O)NCc2ccc3cccnc3c2O)cccc1[N+](=O)[O-] ZINC001570533497 1077214069 /nfs/dbraw/zinc/21/40/69/1077214069.db2.gz FGUZEYARZJLKQA-UHFFFAOYSA-N 0 0 353.334 2.787 20 10 FFCDRN CC[C@]1(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CCNC1=O ZINC001587880782 1079885218 /nfs/dbraw/zinc/88/52/18/1079885218.db2.gz IMLUYGPNDAGTQC-NRFANRHFSA-N 0 0 353.466 2.935 20 10 FFCDRN COC(=O)C[C@@H](C)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001588137794 1079934267 /nfs/dbraw/zinc/93/42/67/1079934267.db2.gz NCFCUVMENYUORM-CYBMUJFWSA-N 0 0 356.422 2.517 20 10 FFCDRN C[C@@H]([NH2+]CCOc1ccccc1C(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001589129833 1080377325 /nfs/dbraw/zinc/37/73/25/1080377325.db2.gz ZKDKHBZDYXIDSA-MRXNPFEDSA-N 0 0 370.449 2.951 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ncc(-c2nn[nH]n2)c2ccsc21 ZINC001589899021 1080846469 /nfs/dbraw/zinc/84/64/69/1080846469.db2.gz DBVWHKXGRBJUEC-SECBINFHSA-N 0 0 368.422 2.931 20 10 FFCDRN C[C@H](NC(=O)Nc1cc(F)cc(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC001589936556 1080879785 /nfs/dbraw/zinc/87/97/85/1080879785.db2.gz DQYFRPANSKXBIZ-NSHDSACASA-N 0 0 369.404 2.955 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589950925 1080895594 /nfs/dbraw/zinc/89/55/94/1080895594.db2.gz YJMIXDKGLFWSHV-WDEREUQCSA-N 0 0 354.370 2.892 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](C[C@H](C)O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589999585 1080928736 /nfs/dbraw/zinc/92/87/36/1080928736.db2.gz XRWRRENEMQIAJM-SQWLQELKSA-N 0 0 367.453 2.778 20 10 FFCDRN Cn1cccc1[C@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000065548413 506320873 /nfs/dbraw/zinc/32/08/73/506320873.db2.gz JXAAONCFXYRUDB-HXUWFJFHSA-N 0 0 368.481 2.908 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](c3nccn3C)C2)cc1F ZINC000373114971 512179152 /nfs/dbraw/zinc/17/91/52/512179152.db2.gz FZNHOWOQUUSOOU-OAHLLOKOSA-N 0 0 359.449 2.714 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCn4nc(C)nc4C3)c2C)cc1 ZINC000371086295 512212724 /nfs/dbraw/zinc/21/27/24/512212724.db2.gz KSPMFXNZMIERRW-UHFFFAOYSA-N 0 0 365.437 2.659 20 10 FFCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@@H](C)[C@H]2CCOC2)C1 ZINC000410237531 512228488 /nfs/dbraw/zinc/22/84/88/512228488.db2.gz PUUBSDVXDHTEJF-IRXDYDNUSA-N 0 0 369.509 2.949 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCc3c(C)noc3C)CC2)cc1 ZINC000369109544 512232230 /nfs/dbraw/zinc/23/22/30/512232230.db2.gz YPDAFKUJCFWKOK-UHFFFAOYSA-N 0 0 372.469 2.764 20 10 FFCDRN O=C(CC1OCCCO1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000369130401 512241846 /nfs/dbraw/zinc/24/18/46/512241846.db2.gz NNSWPTYBCJZHIE-UHFFFAOYSA-N 0 0 370.396 2.526 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CS(C)(=O)=O)cc1 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CC(=O)N1CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)[C@@H](C)C1 ZINC000268738480 510091205 /nfs/dbraw/zinc/09/12/05/510091205.db2.gz PHVTYGGESHSWHG-KRWDZBQOSA-N 0 0 372.513 2.685 20 10 FFCDRN CCCCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cn1 ZINC000187206786 510123394 /nfs/dbraw/zinc/12/33/94/510123394.db2.gz IEIBZKYZEKKLAN-UHFFFAOYSA-N 0 0 370.453 2.581 20 10 FFCDRN COC(=O)[C@H]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C(=O)OC)C1 ZINC000180832288 510133648 /nfs/dbraw/zinc/13/36/48/510133648.db2.gz IQEVSPRSZJTANT-HKUYNNGSSA-N 0 0 374.481 2.604 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000187221058 510133754 /nfs/dbraw/zinc/13/37/54/510133754.db2.gz MKMRLXIRWIXPOS-UHFFFAOYSA-N 0 0 355.316 2.790 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCC1CCN(CC(F)(F)F)CC1 ZINC000180844157 510140872 /nfs/dbraw/zinc/14/08/72/510140872.db2.gz DMIAXMVEEQNJQW-DUXPYHPUSA-N 0 0 372.387 2.892 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000193965666 510152200 /nfs/dbraw/zinc/15/22/00/510152200.db2.gz 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510268048 /nfs/dbraw/zinc/26/80/48/510268048.db2.gz GWGXZYPBFFQORU-UHFFFAOYSA-N 0 0 366.259 2.870 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)COc1ccc(C=O)cc1[N+](=O)[O-] ZINC000269176482 510273748 /nfs/dbraw/zinc/27/37/48/510273748.db2.gz SWJRZSSZEPOQLX-UHFFFAOYSA-N 0 0 372.377 2.931 20 10 FFCDRN CC(C)NC(=O)Nc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000269178032 510274023 /nfs/dbraw/zinc/27/40/23/510274023.db2.gz HHVUUTMVABCHKS-UHFFFAOYSA-N 0 0 357.410 2.600 20 10 FFCDRN CC(C)C(=O)NC1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000265918804 510300380 /nfs/dbraw/zinc/30/03/80/510300380.db2.gz LZEWZDDKXQRPFX-UHFFFAOYSA-N 0 0 370.497 2.509 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3ccc(N)cc3)cc2F)C[C@H](C)O1 ZINC000269240889 510305605 /nfs/dbraw/zinc/30/56/05/510305605.db2.gz JKXWELOHBQNKPX-GJZGRUSLSA-N 0 0 371.456 2.880 20 10 FFCDRN CC(C)OCCCN(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000265941182 510314636 /nfs/dbraw/zinc/31/46/36/510314636.db2.gz QZFPZZQKZDJAGJ-UHFFFAOYSA-N 0 0 367.465 2.619 20 10 FFCDRN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000184429854 510320668 /nfs/dbraw/zinc/32/06/68/510320668.db2.gz WUROAXAIMXRGOK-UHFFFAOYSA-N 0 0 366.870 2.875 20 10 FFCDRN O=C(NCc1nnc2n1CCCCC2)NCc1c(O)ccc2c1CCCC2 ZINC000174828851 510330828 /nfs/dbraw/zinc/33/08/28/510330828.db2.gz NTVDGVXOYMMZJQ-UHFFFAOYSA-N 0 0 369.469 2.588 20 10 FFCDRN COc1cc(N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC ZINC000265987164 510343884 /nfs/dbraw/zinc/34/38/84/510343884.db2.gz ICHFRFCKFUNHSI-UHFFFAOYSA-N 0 0 372.421 2.990 20 10 FFCDRN COc1ccnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)c1OC ZINC000190859878 510379099 /nfs/dbraw/zinc/37/90/99/510379099.db2.gz QRLNGILOWLYPBN-INIZCTEOSA-N 0 0 358.438 2.986 20 10 FFCDRN CC[C@H](CSC)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000181474590 510429402 /nfs/dbraw/zinc/42/94/02/510429402.db2.gz UJHWDWRJZLEFNY-CQSZACIVSA-N 0 0 369.506 2.728 20 10 FFCDRN CC(=O)N1CC(C(=O)N(Cc2ccccc2O)[C@H](C)c2ccccc2)C1 ZINC000187851939 510470019 /nfs/dbraw/zinc/47/00/19/510470019.db2.gz 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COc1ccc(N2CCCN(C(=O)NCc3ccncc3C)CC2)cc1 ZINC000188256262 510672641 /nfs/dbraw/zinc/67/26/41/510672641.db2.gz AHWBTYHMMYQDIU-UHFFFAOYSA-N 0 0 354.454 2.821 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC(=O)N1CCCCC1 ZINC000266651924 510710607 /nfs/dbraw/zinc/71/06/07/510710607.db2.gz HHDVHVZDWBHMQH-UHFFFAOYSA-N 0 0 360.502 2.685 20 10 FFCDRN Cc1nc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)s1 ZINC000178669631 510713548 /nfs/dbraw/zinc/71/35/48/510713548.db2.gz RVPNKFNKWXPXNL-UHFFFAOYSA-N 0 0 359.495 2.899 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1noc(C)n1 ZINC000175698879 510742202 /nfs/dbraw/zinc/74/22/02/510742202.db2.gz SXBDHQKXPUNWLF-UHFFFAOYSA-N 0 0 369.219 2.578 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccccc1O)c1ccc(N2CCOC2=O)cc1 ZINC000263685204 510789790 /nfs/dbraw/zinc/78/97/90/510789790.db2.gz FLLSKHPMNIVSBS-CYBMUJFWSA-N 0 0 355.394 2.909 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCC(CC(=O)N(C)C)CC2)c1O ZINC000182172364 510793403 /nfs/dbraw/zinc/79/34/03/510793403.db2.gz RDVORZBZOJCOMO-UHFFFAOYSA-N 0 0 352.862 2.939 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(OC)nn1 ZINC000175846389 510820422 /nfs/dbraw/zinc/82/04/22/510820422.db2.gz ZRPIAQVVKRGBLP-UHFFFAOYSA-N 0 0 366.215 2.616 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000275971910 510921726 /nfs/dbraw/zinc/92/17/26/510921726.db2.gz XBZNOKFMRQXCNI-UHFFFAOYSA-N 0 0 369.421 2.728 20 10 FFCDRN Cc1cc(/C=C/C(=O)NCCc2nnc(N)o2)c(C)n1-c1ccc(C)cc1 ZINC000276352004 510935003 /nfs/dbraw/zinc/93/50/03/510935003.db2.gz KULGLTSOTLWTDX-RMKNXTFCSA-N 0 0 365.437 2.740 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CC(=O)c2ccccc21 ZINC000276503863 510939908 /nfs/dbraw/zinc/93/99/08/510939908.db2.gz XPHXNFHGEIXCJT-FQEVSTJZSA-N 0 0 364.445 2.852 20 10 FFCDRN CCOC(=O)c1csc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])n1 ZINC000276614093 510942421 /nfs/dbraw/zinc/94/24/21/510942421.db2.gz ZOSWOISHBMQPLW-SNVBAGLBSA-N 0 0 365.411 2.827 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCc2cc[nH]c(=O)c2C1 ZINC000276987324 510951308 /nfs/dbraw/zinc/95/13/08/510951308.db2.gz UAXKPWKBPMAJHC-UHFFFAOYSA-N 0 0 352.438 2.655 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCOCC(F)(F)C(F)F)cc1F ZINC000277281919 510958581 /nfs/dbraw/zinc/95/85/81/510958581.db2.gz ASYQAKMYZHCWQR-UHFFFAOYSA-N 0 0 369.334 2.608 20 10 FFCDRN Cc1ccoc1CN(C)C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000297477214 510961170 /nfs/dbraw/zinc/96/11/70/510961170.db2.gz BRZGECADCXOGLC-UHFFFAOYSA-N 0 0 369.465 2.804 20 10 FFCDRN CC(C)c1nnc([C@H](C)NC(=O)NCc2ccc(N3CC=CC3)cc2)[nH]1 ZINC000270729634 510965710 /nfs/dbraw/zinc/96/57/10/510965710.db2.gz YCCRZWOVDNZRBA-AWEZNQCLSA-N 0 0 354.458 2.865 20 10 FFCDRN CC(=O)NC1(C(=O)NCc2cccc(Br)c2O)CCCCC1 ZINC000277601135 510967624 /nfs/dbraw/zinc/96/76/24/510967624.db2.gz UDYMFIWNQHWIQB-UHFFFAOYSA-N 0 0 369.259 2.610 20 10 FFCDRN CC(C)c1nnc([C@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000270741004 510968739 /nfs/dbraw/zinc/96/87/39/510968739.db2.gz LGAIJSVXPRLQMH-PPYMECGQSA-N 0 0 369.469 2.655 20 10 FFCDRN COc1c(O)c(CN2CCn3c(C(C)C)nnc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000364617170 510973722 /nfs/dbraw/zinc/97/37/22/510973722.db2.gz YMNSMOAWVADBCR-LLVKDONJSA-N 0 0 361.402 2.601 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCC[C@@H]1CCO ZINC000277850433 510974821 /nfs/dbraw/zinc/97/48/21/510974821.db2.gz ZKLFGBUVUZPYDP-ZWNOBZJWSA-N 0 0 357.248 2.505 20 10 FFCDRN CN(c1ccc(CN2C(=O)[C@H]3[C@H](O)CCCN3C2=O)cc1)C1CCCCC1 ZINC000277933460 510976243 /nfs/dbraw/zinc/97/62/43/510976243.db2.gz QTPKOSMRRGZRMW-RTBURBONSA-N 0 0 371.481 2.743 20 10 FFCDRN COC(=O)[C@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278310014 510988113 /nfs/dbraw/zinc/98/81/13/510988113.db2.gz WRFCVVPIIVCVHB-HNNXBMFYSA-N 0 0 360.366 2.655 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1 ZINC000278468960 510993514 /nfs/dbraw/zinc/99/35/14/510993514.db2.gz ZCCIERRNQZDBQR-CQSZACIVSA-N 0 0 355.364 2.589 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@]2(CO)CCOc3ccccc32)c1[O-] ZINC000282511197 511007365 /nfs/dbraw/zinc/00/73/65/511007365.db2.gz XKPQHIYCJANSLA-KRWDZBQOSA-N 0 0 364.785 2.714 20 10 FFCDRN COCc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])ccc1F ZINC000278857351 511012224 /nfs/dbraw/zinc/01/22/24/511012224.db2.gz LRXZNLNCTGPJET-UHFFFAOYSA-N 0 0 350.346 2.884 20 10 FFCDRN C[C@@H]([NH2+]C[C@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000285850182 511015579 /nfs/dbraw/zinc/01/55/79/511015579.db2.gz ZCPFPAWGUKRPPT-SKDRFNHKSA-N 0 0 354.319 2.584 20 10 FFCDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000286009811 511017867 /nfs/dbraw/zinc/01/78/67/511017867.db2.gz JFKXREHRXLYXJL-LBPRGKRZSA-N 0 0 363.435 2.691 20 10 FFCDRN O=C(NC[C@H]1CCCCN1C(=O)c1cccc(O)c1O)Nc1ccccc1 ZINC000279081157 511018091 /nfs/dbraw/zinc/01/80/91/511018091.db2.gz FAQQCJRSBULBOU-OAHLLOKOSA-N 0 0 369.421 2.914 20 10 FFCDRN COc1cc(CC(=O)NCc2ccc3c(c2)CCCN3C)cc(OC)c1O ZINC000279257807 511022968 /nfs/dbraw/zinc/02/29/68/511022968.db2.gz QEHWUBIXNPYATB-UHFFFAOYSA-N 0 0 370.449 2.651 20 10 FFCDRN CO[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CC1 ZINC000279304861 511037894 /nfs/dbraw/zinc/03/78/94/511037894.db2.gz MOQGCGRRULCNOD-INIZCTEOSA-N 0 0 372.387 2.583 20 10 FFCDRN COc1cc(OC)cc(OCCCN(C)C(=O)c2cccc(O)c2O)c1 ZINC000279314426 511042159 /nfs/dbraw/zinc/04/21/59/511042159.db2.gz ORUWWSRVGRJBOP-UHFFFAOYSA-N 0 0 361.394 2.656 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000282611088 511045246 /nfs/dbraw/zinc/04/52/46/511045246.db2.gz YVCHZCCGCYCUKO-UHFFFAOYSA-N 0 0 355.394 2.561 20 10 FFCDRN CC[C@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287594164 511053545 /nfs/dbraw/zinc/05/35/45/511053545.db2.gz IGEFHRKXVILFBT-HNNXBMFYSA-N 0 0 374.312 2.950 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCc2nnc3n2CCCC3)C2CC2)cc1 ZINC000364745292 511058396 /nfs/dbraw/zinc/05/83/96/511058396.db2.gz SRKPSUVAPIHONZ-UHFFFAOYSA-N 0 0 368.485 2.555 20 10 FFCDRN O=C1NCCCN1c1cc(NCc2cc3c(cc2O)OCO3)ccc1F ZINC000288365862 511072866 /nfs/dbraw/zinc/07/28/66/511072866.db2.gz DQTNRUZYKMRCDQ-UHFFFAOYSA-N 0 0 359.357 2.792 20 10 FFCDRN CCC[C@H](CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC000297804317 511073844 /nfs/dbraw/zinc/07/38/44/511073844.db2.gz YIRFXIDVELZMOF-SJORKVTESA-N 0 0 350.459 2.898 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000288477445 511077515 /nfs/dbraw/zinc/07/75/15/511077515.db2.gz KZWPKKISNFIJLJ-IEBWSBKVSA-N 0 0 374.481 2.595 20 10 FFCDRN CN(Cc1cccs1)c1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000294501995 511085938 /nfs/dbraw/zinc/08/59/38/511085938.db2.gz BIZNWJCUQUESCE-OAHLLOKOSA-N 0 0 350.509 2.661 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000289157879 511094330 /nfs/dbraw/zinc/09/43/30/511094330.db2.gz QULHQZYWSJIATP-UHFFFAOYSA-N 0 0 365.437 2.514 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000289373906 511099401 /nfs/dbraw/zinc/09/94/01/511099401.db2.gz BOEKBNJXKDVHCQ-NSHDSACASA-N 0 0 365.065 2.778 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1coc2c1C(=O)CCC2 ZINC000294559769 511104786 /nfs/dbraw/zinc/10/47/86/511104786.db2.gz WKNJZIVVWCETJK-UHFFFAOYSA-N 0 0 368.433 2.907 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@H]1CCCC(=O)N1 ZINC000289608349 511106804 /nfs/dbraw/zinc/10/68/04/511106804.db2.gz LBLJLOSWBKRQHS-CYBMUJFWSA-N 0 0 369.259 2.562 20 10 FFCDRN C[C@]1(C[C@H]2CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[O-])NC(=O)NC1=O ZINC000289953979 511121746 /nfs/dbraw/zinc/12/17/46/511121746.db2.gz YWRUTGYCSKUVCN-BDJLRTHQSA-N 0 0 372.252 2.652 20 10 FFCDRN Cc1cn[nH]c1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000289990824 511124212 /nfs/dbraw/zinc/12/42/12/511124212.db2.gz SIIOWXMYCSSKBB-UHFFFAOYSA-N 0 0 354.376 2.863 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc2c1OCC(=O)N2 ZINC000290193502 511130250 /nfs/dbraw/zinc/13/02/50/511130250.db2.gz OMXDAJPPJANEDZ-UHFFFAOYSA-N 0 0 367.405 2.924 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC[C@@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000290658262 511147454 /nfs/dbraw/zinc/14/74/54/511147454.db2.gz GZTGIVCTOKAJLH-CSPWOOARSA-N 0 0 356.382 2.737 20 10 FFCDRN Cc1occc1CN(C)C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298040249 511154010 /nfs/dbraw/zinc/15/40/10/511154010.db2.gz ZJQRWXDIGBZVKH-UHFFFAOYSA-N 0 0 369.465 2.804 20 10 FFCDRN Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(Cl)ccc1O ZINC000362376893 511182213 /nfs/dbraw/zinc/18/22/13/511182213.db2.gz SQOIGVRXXCYLJP-GOSISDBHSA-N 0 0 370.840 2.675 20 10 FFCDRN Cc1csc(=O)n1CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298355120 511255146 /nfs/dbraw/zinc/25/51/46/511255146.db2.gz HXRDTGPMNBUQOG-UHFFFAOYSA-N 0 0 359.495 2.866 20 10 FFCDRN COCCOC1CCC(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000279897518 511257263 /nfs/dbraw/zinc/25/72/63/511257263.db2.gz VRICKVOCJXIIKI-UHFFFAOYSA-N 0 0 352.450 2.730 20 10 FFCDRN C[C@H](NC(=O)c1ccco1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298381637 511264991 /nfs/dbraw/zinc/26/49/91/511264991.db2.gz OMWYHABRVJIFQJ-AWEZNQCLSA-N 0 0 355.438 2.655 20 10 FFCDRN COC[C@H](CO)NC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1 ZINC000279917799 511265892 /nfs/dbraw/zinc/26/58/92/511265892.db2.gz HEOCISIAPQBZTN-SKAIHHOBSA-N 0 0 356.426 2.905 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccc3c(c2)OCC(=O)N3)C2CC2)cc1 ZINC000298390707 511268372 /nfs/dbraw/zinc/26/83/72/511268372.db2.gz RBZVBEZKOBVVPT-UHFFFAOYSA-N 0 0 365.433 2.888 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(O)(C(F)(F)F)CC1 ZINC000271750855 511311034 /nfs/dbraw/zinc/31/10/34/511311034.db2.gz FSJWANGANKFKNC-UHFFFAOYSA-N 0 0 369.387 2.662 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N(C)Cc3nccn3C)cc2)CC1 ZINC000271789084 511324365 /nfs/dbraw/zinc/32/43/65/511324365.db2.gz NAHFTEQEHGFVAV-UHFFFAOYSA-N 0 0 355.486 2.998 20 10 FFCDRN CC[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000295262928 511342130 /nfs/dbraw/zinc/34/21/30/511342130.db2.gz YIEFTEKHTQUNAT-UYAOXDASSA-N 0 0 357.498 2.798 20 10 FFCDRN COc1cc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1O ZINC000295306365 511357708 /nfs/dbraw/zinc/35/77/08/511357708.db2.gz RNEFMECRQCFXQM-QGZVFWFLSA-N 0 0 371.433 2.857 20 10 FFCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ncn(C)n2)cc1 ZINC000291852944 511365562 /nfs/dbraw/zinc/36/55/62/511365562.db2.gz GFNODNDZZWKGNR-UHFFFAOYSA-N 0 0 365.437 2.737 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC000291896816 511382248 /nfs/dbraw/zinc/38/22/48/511382248.db2.gz JPYVEPFAZJBIDR-SJLPKXTDSA-N 0 0 366.417 2.782 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@]3(CCO[C@H]3C)C2)c(C)n1-c1ccccn1 ZINC000280232711 511385190 /nfs/dbraw/zinc/38/51/90/511385190.db2.gz XRGNXWARASVGOY-JXFKEZNVSA-N 0 0 355.438 2.509 20 10 FFCDRN COC(=O)c1ccc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)nn1 ZINC000298731468 511390653 /nfs/dbraw/zinc/39/06/53/511390653.db2.gz NHTYLPFQORWDHL-BETUJISGSA-N 0 0 374.416 2.628 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CN3CCC[C@H]3c3ccc[nH]3)CC2)cc1 ZINC000298767515 511404674 /nfs/dbraw/zinc/40/46/74/511404674.db2.gz MYTYPWLDUZOSTG-FQEVSTJZSA-N 0 0 368.481 2.509 20 10 FFCDRN CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000298785781 511409154 /nfs/dbraw/zinc/40/91/54/511409154.db2.gz BMUJCURCAZJCOU-INIZCTEOSA-N 0 0 370.453 2.840 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000283606683 511432272 /nfs/dbraw/zinc/43/22/72/511432272.db2.gz LQEOFKCZEUSNFJ-DOTOQJQBSA-N 0 0 350.459 2.898 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCC(CS(C)(=O)=O)CC2)c1O ZINC000292042229 511442318 /nfs/dbraw/zinc/44/23/18/511442318.db2.gz AOFDZNQEWPYWNO-UHFFFAOYSA-N 0 0 359.875 2.505 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nc1C ZINC000298904421 511448020 /nfs/dbraw/zinc/44/80/20/511448020.db2.gz MRLPNOYPVXROMR-UHFFFAOYSA-N 0 0 353.466 2.837 20 10 FFCDRN CCN(Cc1ccncc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000298911924 511450300 /nfs/dbraw/zinc/45/03/00/511450300.db2.gz DRBPAVQSEIRGFK-UHFFFAOYSA-N 0 0 372.444 2.789 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3cnccn3)cc2F)C[C@H](C)O1 ZINC000298934118 511456810 /nfs/dbraw/zinc/45/68/10/511456810.db2.gz BYKOGPRUQDGLCL-LPZJRDJDSA-N 0 0 370.428 2.559 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC(=O)c1ccoc1 ZINC000298952213 511462753 /nfs/dbraw/zinc/46/27/53/511462753.db2.gz IBXRVGVTFLXQTJ-HNNXBMFYSA-N 0 0 357.454 2.901 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)c(C)n1-c1ccccn1 ZINC000280435187 511464086 /nfs/dbraw/zinc/46/40/86/511464086.db2.gz HAIBSJDETNJNGG-YWZLYKJASA-N 0 0 355.438 2.509 20 10 FFCDRN COc1ccc(C(=O)N2CCN(Cc3cccc(F)c3O)CC2)cc1OC ZINC000272233255 511473415 /nfs/dbraw/zinc/47/34/15/511473415.db2.gz FECBYSFPCZPZAQ-UHFFFAOYSA-N 0 0 374.412 2.507 20 10 FFCDRN C[C@@H](c1ccccc1)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000283770832 511494698 /nfs/dbraw/zinc/49/46/98/511494698.db2.gz SVICMNLZCGVDHM-KRWDZBQOSA-N 0 0 363.461 2.899 20 10 FFCDRN CC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nnc2n1CCCCC2 ZINC000272522820 511497031 /nfs/dbraw/zinc/49/70/31/511497031.db2.gz VXMQGQPDVRXDOG-QSYFUGGGSA-N 0 0 356.426 2.696 20 10 FFCDRN CC(C)Oc1cc(F)ccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000272631258 511501215 /nfs/dbraw/zinc/50/12/15/511501215.db2.gz NDAMDWHUKSJAQO-UHFFFAOYSA-N 0 0 360.385 2.916 20 10 FFCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C\c1cnc(N(C)C)nc1 ZINC000295754608 511505728 /nfs/dbraw/zinc/50/57/28/511505728.db2.gz AHIPGPGYFXEYSV-NTUHNPAUSA-N 0 0 353.451 2.875 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1O ZINC000272766541 511506262 /nfs/dbraw/zinc/50/62/62/511506262.db2.gz RJYPYLSUWZCYEE-TZMCWYRMSA-N 0 0 364.442 2.782 20 10 FFCDRN COCc1ncc(COC(=O)/C=C/c2ccc(N3CCOCC3)cc2)s1 ZINC000292218352 511510767 /nfs/dbraw/zinc/51/07/67/511510767.db2.gz MIBKNDQCRZOSRS-QPJJXVBHSA-N 0 0 374.462 2.883 20 10 FFCDRN NC(=O)c1ccc(CN(Cc2cc3c(cc2O)OCO3)C2CC2)c(F)c1 ZINC000292220506 511511769 /nfs/dbraw/zinc/51/17/69/511511769.db2.gz ADXVCICDUCYWJN-UHFFFAOYSA-N 0 0 358.369 2.524 20 10 FFCDRN Cn1cccc1[C@@H]1CCCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000299098906 511514816 /nfs/dbraw/zinc/51/48/16/511514816.db2.gz JXAAONCFXYRUDB-FQEVSTJZSA-N 0 0 368.481 2.908 20 10 FFCDRN CCSCC[C@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283835060 511516143 /nfs/dbraw/zinc/51/61/43/511516143.db2.gz CTYLDDTYXJOILT-HNNXBMFYSA-N 0 0 363.527 2.551 20 10 FFCDRN CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000273402570 511524640 /nfs/dbraw/zinc/52/46/40/511524640.db2.gz NMXDXLIKEGESIG-ZDUSSCGKSA-N 0 0 356.422 2.779 20 10 FFCDRN COc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1OCCO ZINC000273385999 511525067 /nfs/dbraw/zinc/52/50/67/511525067.db2.gz JLNJCYFRPDANMC-GFCCVEGCSA-N 0 0 362.382 2.531 20 10 FFCDRN COc1cc(N2CCN(c3nc(C(C)C)no3)CC2)cc(OC)c1OC ZINC000273432820 511526251 /nfs/dbraw/zinc/52/62/51/511526251.db2.gz AYHXUWLSIVFUJF-UHFFFAOYSA-N 0 0 362.430 2.545 20 10 FFCDRN COc1ccc(O)c(C[NH2+][C@H](c2ccc(C)cc2)[C@H](C)S(C)(=O)=O)c1 ZINC000280603408 511527855 /nfs/dbraw/zinc/52/78/55/511527855.db2.gz CNDBYDMMMMTGIU-LIRRHRJNSA-N 0 0 363.479 2.973 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480395 511528702 /nfs/dbraw/zinc/52/87/02/511528702.db2.gz UGXFSUWUGHORAI-DYVFJYSZSA-N 0 0 370.409 2.537 20 10 FFCDRN COc1cc(N2CCN(Cc3cnccc3C)CC2)cc(OC)c1OC ZINC000273569699 511538117 /nfs/dbraw/zinc/53/81/17/511538117.db2.gz FTIPVQNJNIYIGN-UHFFFAOYSA-N 0 0 357.454 2.738 20 10 FFCDRN c1nc2c(ncnc2NCc2ccc(N3CCOCC3)cc2)n1C1CC1 ZINC000292301313 511543004 /nfs/dbraw/zinc/54/30/04/511543004.db2.gz AGSOGYUCXXKAKA-UHFFFAOYSA-N 0 0 350.426 2.610 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCC(=O)c2cnn(C)c2)cc1F ZINC000280642089 511545460 /nfs/dbraw/zinc/54/54/60/511545460.db2.gz YMKMZPZLEZOAJZ-UHFFFAOYSA-N 0 0 360.433 2.685 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@]12CCCO2 ZINC000273645738 511560863 /nfs/dbraw/zinc/56/08/63/511560863.db2.gz IBJCNCFIKYYDKG-SBHAEUEKSA-N 0 0 371.481 2.589 20 10 FFCDRN CC(=O)CCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000299247877 511565230 /nfs/dbraw/zinc/56/52/30/511565230.db2.gz OCCCBUFQAAHOFQ-GASCZTMLSA-N 0 0 350.434 2.815 20 10 FFCDRN CN(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cncn1C ZINC000280690257 511565462 /nfs/dbraw/zinc/56/54/62/511565462.db2.gz DOKNFLMNPQVDGG-HXUWFJFHSA-N 0 0 369.513 2.672 20 10 FFCDRN COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000296008138 511586756 /nfs/dbraw/zinc/58/67/56/511586756.db2.gz QYIFUPFWLJPFHK-UKRRQHHQSA-N 0 0 366.458 2.687 20 10 FFCDRN COCCCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000299310046 511588110 /nfs/dbraw/zinc/58/81/10/511588110.db2.gz DXQARINGGCQTDL-HUUCEWRRSA-N 0 0 352.450 2.872 20 10 FFCDRN O=C(C=Cc1c[nH]cn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000284089194 511600654 /nfs/dbraw/zinc/60/06/54/511600654.db2.gz SNVLIKOZOBDCBO-VSZOKUSCSA-N 0 0 362.380 2.810 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1F ZINC000299352270 511602424 /nfs/dbraw/zinc/60/24/24/511602424.db2.gz UIUOLXRXJGAIDP-UHFFFAOYSA-N 0 0 369.440 2.944 20 10 FFCDRN Cc1nsc(NC2CC2)c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000292555507 511641237 /nfs/dbraw/zinc/64/12/37/511641237.db2.gz RWXTWINLMNUQOG-UHFFFAOYSA-N 0 0 372.494 2.792 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1cccc(OC2CCCC2)c1 ZINC000299469978 511648959 /nfs/dbraw/zinc/64/89/59/511648959.db2.gz CVDMQDGSSNORNR-UHFFFAOYSA-N 0 0 354.406 2.969 20 10 FFCDRN COc1cccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000284263654 511660718 /nfs/dbraw/zinc/66/07/18/511660718.db2.gz VWSRIMJUNZITTJ-OAHLLOKOSA-N 0 0 369.465 2.597 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cnsn1 ZINC000363620773 511661803 /nfs/dbraw/zinc/66/18/03/511661803.db2.gz WKRMNHUULJVMBR-UHFFFAOYSA-N 0 0 354.382 2.538 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)[C@]12CCCO2 ZINC000273943726 511663918 /nfs/dbraw/zinc/66/39/18/511663918.db2.gz KMHLZEKHGXJDRG-QKNQBKEWSA-N 0 0 373.497 2.813 20 10 FFCDRN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@@H](c2ccccc2)O1 ZINC000301609230 511698144 /nfs/dbraw/zinc/69/81/44/511698144.db2.gz AXFGTZXVYHNSDW-XIKOKIGWSA-N 0 0 369.377 2.892 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](O)Cc1cccc(F)c1 ZINC000296324483 511698768 /nfs/dbraw/zinc/69/87/68/511698768.db2.gz HAYQHODXTCYFPH-FQEVSTJZSA-N 0 0 369.440 2.605 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1cc(N2CCCC[C@@H]2CO)ncn1 ZINC000302883307 511718934 /nfs/dbraw/zinc/71/89/34/511718934.db2.gz JKFHCCZTTWREIE-GOSISDBHSA-N 0 0 355.486 2.814 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](CC(C)(C)C(N)=O)C2)cc1OC ZINC000296405425 511730860 /nfs/dbraw/zinc/73/08/60/511730860.db2.gz WDOAWBGYPHDIIK-GFCCVEGCSA-N 0 0 365.430 2.730 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccn(C(C)C)n1 ZINC000281147604 511738092 /nfs/dbraw/zinc/73/80/92/511738092.db2.gz XHYGKJSYMNLVIS-UHFFFAOYSA-N 0 0 371.485 2.906 20 10 FFCDRN CN(C)c1ccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)cc1F ZINC000274200063 511752246 /nfs/dbraw/zinc/75/22/46/511752246.db2.gz GPHYSFRFGZRGKE-KRWDZBQOSA-N 0 0 350.459 2.767 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)[C@H]3CCO[C@H](C)C3)cc2)CC1 ZINC000296660262 511840974 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CC1CCN(c2ccc(CNS(=O)(=O)CC[C@@H]3CCOC3)cc2)CC1 ZINC000293649319 512038848 /nfs/dbraw/zinc/03/88/48/512038848.db2.gz XYOHTZZNNOZQSI-SFHVURJKSA-N 0 0 366.527 2.769 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NCC3([S@@](C)=O)CC3)cc2)CC1 ZINC000282037744 512055129 /nfs/dbraw/zinc/05/51/29/512055129.db2.gz ZRWPOJXDHNHSDT-RUZDIDTESA-N 0 0 363.527 2.633 20 10 FFCDRN COc1cc(N(C)Cc2ccc3c(c2)NC(=O)CO3)cc(OC)c1OC ZINC000293758997 512076362 /nfs/dbraw/zinc/07/63/62/512076362.db2.gz YWHAKPXWLSCYFH-UHFFFAOYSA-N 0 0 358.394 2.680 20 10 FFCDRN Cc1c([C@H]2OCC[C@@H]2C(=O)N(C)Cc2ccc(N(C)C)cc2)cnn1C ZINC000275216871 512078671 /nfs/dbraw/zinc/07/86/71/512078671.db2.gz CIZAIKQYZVKJDG-HKUYNNGSSA-N 0 0 356.470 2.531 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csc(=O)[nH]1 ZINC000375669565 512445774 /nfs/dbraw/zinc/44/57/74/512445774.db2.gz SPJVKVQMZQVWJW-SNVBAGLBSA-N 0 0 369.393 2.849 20 10 FFCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000375823209 512525329 /nfs/dbraw/zinc/52/53/29/512525329.db2.gz JGWDUACDZNTOTH-AEFFLSMTSA-N 0 0 361.417 2.556 20 10 FFCDRN Cc1ncc2c(n1)CC[C@H](NC(=O)NCc1ccc(N3CC=CC3)cc1)C2 ZINC000371741315 512551395 /nfs/dbraw/zinc/55/13/95/512551395.db2.gz KISBUCMENZTLLH-SFHVURJKSA-N 0 0 363.465 2.518 20 10 FFCDRN COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)n1 ZINC000367905282 512715915 /nfs/dbraw/zinc/71/59/15/512715915.db2.gz YLSVHOCCONZNJG-LLVKDONJSA-N 0 0 369.377 2.956 20 10 FFCDRN O=C1CN(C2CC2)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000378513258 512799978 /nfs/dbraw/zinc/79/99/78/512799978.db2.gz CVGQAECOMOSZRL-UHFFFAOYSA-N 0 0 365.380 2.683 20 10 FFCDRN CCC[C@H](C)C(=O)NCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000431909706 514037684 /nfs/dbraw/zinc/03/76/84/514037684.db2.gz RJJCBXJFWGJTDH-AWEZNQCLSA-N 0 0 358.486 2.838 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C(=O)NCc1ccco1 ZINC000471770486 515007103 /nfs/dbraw/zinc/00/71/03/515007103.db2.gz JYIRGWWZOONFCH-AWEZNQCLSA-N 0 0 368.437 2.584 20 10 FFCDRN CC(=O)N1CCC(CNC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000471811443 515018447 /nfs/dbraw/zinc/01/84/47/515018447.db2.gz RYBLQLQYQOEHMT-UHFFFAOYSA-N 0 0 356.470 2.544 20 10 FFCDRN CO[C@H](C)c1noc(CN(C)C(=O)NCc2c(C)c3ccccc3n2C)n1 ZINC000472229924 515177553 /nfs/dbraw/zinc/17/75/53/515177553.db2.gz DCVKIFNKDUQTCU-CYBMUJFWSA-N 0 0 371.441 2.919 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(n2cncn2)CC1 ZINC000472241055 515181647 /nfs/dbraw/zinc/18/16/47/515181647.db2.gz OMJGBNYQOJTJGF-UHFFFAOYSA-N 0 0 352.442 2.625 20 10 FFCDRN CCc1onc(C)c1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472798975 515401709 /nfs/dbraw/zinc/40/17/09/515401709.db2.gz YJASVBILCCSDIR-UHFFFAOYSA-N 0 0 354.410 2.600 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2ccccc2c(=O)o1 ZINC000499886023 515492942 /nfs/dbraw/zinc/49/29/42/515492942.db2.gz KPDUANNGUFXMBV-UHFFFAOYSA-N 0 0 350.374 2.898 20 10 FFCDRN COCCOC[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000460267630 516094715 /nfs/dbraw/zinc/09/47/15/516094715.db2.gz NLGXDSSVRGKHIF-CQSZACIVSA-N 0 0 362.470 2.686 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000512503033 516297601 /nfs/dbraw/zinc/29/76/01/516297601.db2.gz FTRCRSNDFOVNRJ-CYBMUJFWSA-N 0 0 363.408 2.655 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000525935215 517244677 /nfs/dbraw/zinc/24/46/77/517244677.db2.gz PQFRGEDUMGBUDL-YWZLYKJASA-N 0 0 357.454 2.576 20 10 FFCDRN Cc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC000542148799 517406182 /nfs/dbraw/zinc/40/61/82/517406182.db2.gz UENMDDIDLAOGPF-UHFFFAOYSA-N 0 0 361.444 2.870 20 10 FFCDRN Cc1cc(Cc2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)no1 ZINC000546439597 517680960 /nfs/dbraw/zinc/68/09/60/517680960.db2.gz CDGVSVMJPDVAMD-UHFFFAOYSA-N 0 0 366.402 2.840 20 10 FFCDRN CCC(=O)N[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000576348717 518550187 /nfs/dbraw/zinc/55/01/87/518550187.db2.gz WNXNOMXLRBTEGV-FQEVSTJZSA-N 0 0 367.449 2.746 20 10 FFCDRN Cc1nn(CC(F)F)c(C)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000565016281 518743028 /nfs/dbraw/zinc/74/30/28/518743028.db2.gz TWTFDQVUDKXRQZ-UHFFFAOYSA-N 0 0 364.396 2.870 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@@H]2CCCC[C@@H]2C1 ZINC000574718082 519296694 /nfs/dbraw/zinc/29/66/94/519296694.db2.gz QENKIDKANLULSD-IYBDPMFKSA-N 0 0 353.466 2.752 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N(CC(N)=O)C3CCCC3)ccc21 ZINC000590702109 519324602 /nfs/dbraw/zinc/32/46/02/519324602.db2.gz CXOXWNMYJPDOBG-UHFFFAOYSA-N 0 0 371.481 2.775 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000583653952 519359802 /nfs/dbraw/zinc/35/98/02/519359802.db2.gz RQEFMXPUYICTBD-SFHVURJKSA-N 0 0 364.449 2.795 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@H](C)n4ncnc43)ccc21 ZINC000617437086 520498212 /nfs/dbraw/zinc/49/82/12/520498212.db2.gz GOQAXQMJOONWAN-SJCJKPOMSA-N 0 0 367.453 2.932 20 10 FFCDRN Fc1ccc2c(C3=CCN(c4cncc(-n5cncn5)n4)CC3)c[nH]c2c1 ZINC000599523210 521276156 /nfs/dbraw/zinc/27/61/56/521276156.db2.gz ONNIUSDBRXBEQS-UHFFFAOYSA-N 0 0 361.384 2.971 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](C)[C@H](CO)C3)ccc21 ZINC000622227268 523341089 /nfs/dbraw/zinc/34/10/89/523341089.db2.gz IEYPXSSVRHVLJD-KDOFPFPSSA-N 0 0 358.482 2.995 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000737269324 599017061 /nfs/dbraw/zinc/01/70/61/599017061.db2.gz CUNQHZRXGQPUDY-PKNBQFBNSA-N 0 0 362.437 2.571 20 10 FFCDRN CN1CCCc2cc(CNc3ccc(Cl)c(-c4nn[nH]n4)n3)ccc21 ZINC000736856577 598578624 /nfs/dbraw/zinc/57/86/24/598578624.db2.gz KTLSKVITOYNKRX-UHFFFAOYSA-N 0 0 355.833 2.910 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCC[C@H](C3OCCO3)C2)c1O ZINC000740099475 600427121 /nfs/dbraw/zinc/42/71/21/600427121.db2.gz ZHMJZVIKKXFLEU-AWEZNQCLSA-N 0 0 357.406 2.829 20 10 FFCDRN C[C@H]([NH2+]CC[C@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825490747 604291825 /nfs/dbraw/zinc/29/18/25/604291825.db2.gz PGTKAGKFFJMONN-GJZGRUSLSA-N 0 0 365.449 2.703 20 10 FFCDRN C[C@@H]([NH2+]CC[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1 ZINC000825490691 604299453 /nfs/dbraw/zinc/29/94/53/604299453.db2.gz ODGIARIJXJZGRH-SJORKVTESA-N 0 0 361.486 2.954 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000825480398 604315834 /nfs/dbraw/zinc/31/58/34/604315834.db2.gz XINYOODOOQRCDO-QWHCGFSZSA-N 0 0 353.850 2.580 20 10 FFCDRN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000833182087 604680740 /nfs/dbraw/zinc/68/07/40/604680740.db2.gz VXVVVVIEFJINPC-IEZWGBDMSA-N 0 0 362.445 2.880 20 10 FFCDRN COc1ccc(O)c([C@@H](C)[NH2+]CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000833733913 605128084 /nfs/dbraw/zinc/12/80/84/605128084.db2.gz VLNPHUOJHMEOKW-GFCCVEGCSA-N 0 0 358.394 2.697 20 10 FFCDRN COCCOc1ccc(-c2nn[nH]n2)cc1NCc1ccc(N(C)C)cc1 ZINC000826162728 608136608 /nfs/dbraw/zinc/13/66/08/608136608.db2.gz PQRKSAPTHVNSDU-UHFFFAOYSA-N 0 0 368.441 2.570 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CC=C(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826470323 608560898 /nfs/dbraw/zinc/56/08/98/608560898.db2.gz MENTYAWNXZEPQR-UHFFFAOYSA-N 0 0 353.407 2.563 20 10 FFCDRN CCN(C(=O)c1ccc(C)c(O)c1O)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825380839 608865560 /nfs/dbraw/zinc/86/55/60/608865560.db2.gz UYTNTWZVLSBFHW-LBPRGKRZSA-N 0 0 367.409 2.810 20 10 FFCDRN CC(C)Cn1ccnc1CNC(=O)NCCCSc1nccs1 ZINC000153922469 728791612 /nfs/dbraw/zinc/79/16/12/728791612.db2.gz BTHJDHCQEKFHBH-UHFFFAOYSA-N 0 0 353.517 2.977 20 10 FFCDRN CCCNC(=O)[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000154587091 728807681 /nfs/dbraw/zinc/80/76/81/728807681.db2.gz ZJURBOHVFSAYCU-CYBMUJFWSA-N 0 0 370.544 2.573 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000155986067 728840056 /nfs/dbraw/zinc/84/00/56/728840056.db2.gz SBDNQRKLKXECHP-UHFFFAOYSA-N 0 0 350.758 2.821 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000157850930 728878375 /nfs/dbraw/zinc/87/83/75/728878375.db2.gz UONAQNIGTHCBTR-OAHLLOKOSA-N 0 0 356.205 2.797 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCS[C@@H]2COCC[C@@H]21 ZINC000897054622 735193178 /nfs/dbraw/zinc/19/31/78/735193178.db2.gz JAMFHLDUUXOODW-ZUZCIYMTSA-N 0 0 351.449 2.659 20 10 FFCDRN CC(C)C[C@H](CNC(=O)C1=CC(=O)CS1)CC(=O)O[C@H]1CCOC1 ZINC000898563386 735383516 /nfs/dbraw/zinc/38/35/16/735383516.db2.gz UBNZPVBSUSNRSY-JSGCOSHPSA-N 0 0 355.456 2.568 20 10 FFCDRN O=C(NC[C@H]1CC2(CO1)CCOCC2)c1cc2cc(O)c(O)cc2s1 ZINC000899180608 735457099 /nfs/dbraw/zinc/45/70/99/735457099.db2.gz ZBGVRLIMJWKRIT-GFCCVEGCSA-N 0 0 363.435 2.628 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000899450233 735495815 /nfs/dbraw/zinc/49/58/15/735495815.db2.gz AQEZKOXOSRXIFM-ACJLOTCBSA-N 0 0 360.479 2.565 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(-c3cnn(C)c3)s2)c1 ZINC000069969206 728203130 /nfs/dbraw/zinc/20/31/30/728203130.db2.gz ZJVPAPVDSZOVJD-SNVBAGLBSA-N 0 0 358.423 2.749 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCC[C@H](O)C1 ZINC000073744934 728225268 /nfs/dbraw/zinc/22/52/68/728225268.db2.gz OPMDPMZWUSQVLD-WMZOPIPTSA-N 0 0 363.527 2.590 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCC[C@@H](O)C1 ZINC000073744941 728225284 /nfs/dbraw/zinc/22/52/84/728225284.db2.gz OPMDPMZWUSQVLD-FUHWJXTLSA-N 0 0 363.527 2.590 20 10 FFCDRN CN(CCOCC1CC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000087059295 728432844 /nfs/dbraw/zinc/43/28/44/728432844.db2.gz OGXKMXULSFKBEH-UHFFFAOYSA-N 0 0 363.527 2.808 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc(OCC(F)F)c2)c1 ZINC000089487157 728443982 /nfs/dbraw/zinc/44/39/82/728443982.db2.gz NCLKSICSUZBQSN-SNVBAGLBSA-N 0 0 352.337 2.931 20 10 FFCDRN Cc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1F ZINC000097681202 728483409 /nfs/dbraw/zinc/48/34/09/728483409.db2.gz BOGMRQQOBYGUAH-UHFFFAOYSA-N 0 0 362.426 2.621 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCc3cnc(C)s3)CC2)cc1 ZINC000098119467 728484701 /nfs/dbraw/zinc/48/47/01/728484701.db2.gz DZDPUTONQCTSCU-UHFFFAOYSA-N 0 0 360.483 2.882 20 10 FFCDRN CNc1snc(C)c1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000102382008 728490501 /nfs/dbraw/zinc/49/05/01/728490501.db2.gz SXYCKXOLVBESTH-UHFFFAOYSA-N 0 0 360.483 2.901 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)ccc2Cl)cc1F ZINC000102814635 728492568 /nfs/dbraw/zinc/49/25/68/728492568.db2.gz IGFIFRXLTOZPIO-UHFFFAOYSA-N 0 0 367.783 2.939 20 10 FFCDRN COc1cccc(CNC(=O)Cc2csc(-c3cccnc3)n2)c1O ZINC000105652385 728507746 /nfs/dbraw/zinc/50/77/46/728507746.db2.gz BLBLXDRUMNKHPP-UHFFFAOYSA-N 0 0 355.419 2.778 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)[C@H]3CSCCS3)CC2)cc1 ZINC000108166740 728520191 /nfs/dbraw/zinc/52/01/91/728520191.db2.gz OVYVMJDBIGOEMF-MRXNPFEDSA-N 0 0 352.525 2.629 20 10 FFCDRN CCC(CC)CS(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000113280725 728553907 /nfs/dbraw/zinc/55/39/07/728553907.db2.gz PDFNPJBPDUBUTB-UHFFFAOYSA-N 0 0 358.479 2.518 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](NC(N)=O)c1cccs1 ZINC000115490570 728565698 /nfs/dbraw/zinc/56/56/98/728565698.db2.gz KHOLURSXSNWWHB-OAHLLOKOSA-N 0 0 360.483 2.538 20 10 FFCDRN O=S(=O)(Cc1ccc(Cl)nc1)NCCCSc1nccs1 ZINC000117365212 728578126 /nfs/dbraw/zinc/57/81/26/728578126.db2.gz JALZFSFGDQPWBR-UHFFFAOYSA-N 0 0 363.917 2.793 20 10 FFCDRN CS[C@H](CO)[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000120296933 728609396 /nfs/dbraw/zinc/60/93/96/728609396.db2.gz KIBJQIGDRZWXDG-CRAIPNDOSA-N 0 0 365.543 2.835 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccnc1Br ZINC000120510848 728612080 /nfs/dbraw/zinc/61/20/80/728612080.db2.gz LCCYRENDQDOYPQ-UHFFFAOYSA-N 0 0 352.188 2.620 20 10 FFCDRN CCOC(=O)C1CCN(C(=O)CN(C)c2ccc(OC)c(Cl)c2)CC1 ZINC000121854153 728640755 /nfs/dbraw/zinc/64/07/55/728640755.db2.gz DZJGCYHJAHRHIA-UHFFFAOYSA-N 0 0 368.861 2.587 20 10 FFCDRN CSCc1noc(CCC(=O)NCCCSc2nccs2)n1 ZINC000122655997 728650122 /nfs/dbraw/zinc/65/01/22/728650122.db2.gz VXZVAPBQIDPNLA-UHFFFAOYSA-N 0 0 358.514 2.620 20 10 FFCDRN C[C@H](NC(=O)NCCCSc1nccs1)[C@H](O)Cc1ccccc1 ZINC000123671409 728661165 /nfs/dbraw/zinc/66/11/65/728661165.db2.gz GUIDTBMYNPVPAM-DZGCQCFKSA-N 0 0 365.524 2.917 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)S(=O)(=O)c1cccnc1 ZINC000123906608 728664161 /nfs/dbraw/zinc/66/41/61/728664161.db2.gz ZVAWVHQVZCEPID-UHFFFAOYSA-N 0 0 371.256 2.761 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc(Br)cn2C)cc1F ZINC000124314585 728668780 /nfs/dbraw/zinc/66/87/80/728668780.db2.gz SZAFJVULHKZERJ-UHFFFAOYSA-N 0 0 354.223 2.923 20 10 FFCDRN COc1cc(N(C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC ZINC000125717859 728686581 /nfs/dbraw/zinc/68/65/81/728686581.db2.gz UPANAOKAWGMAKV-ZFWWWQNUSA-N 0 0 350.459 2.844 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCc3c2cccc3Cl)cc1 ZINC000127829918 728707381 /nfs/dbraw/zinc/70/73/81/728707381.db2.gz JGTNOUMYGVMFHG-UHFFFAOYSA-N 0 0 357.841 2.612 20 10 FFCDRN C[C@@](O)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1cccs1 ZINC000127933382 728707654 /nfs/dbraw/zinc/70/76/54/728707654.db2.gz DAMLZIPPOYUGLP-LJQANCHMSA-N 0 0 357.479 2.831 20 10 FFCDRN O=C(NCc1ccccc1O)c1csc(I)c1 ZINC000134465220 728730300 /nfs/dbraw/zinc/73/03/00/728730300.db2.gz ZAHZLAPLHFKIKK-UHFFFAOYSA-N 0 0 359.188 2.988 20 10 FFCDRN CCOc1ncccc1CNC(=O)NCCCSc1nccs1 ZINC000152101411 728747919 /nfs/dbraw/zinc/74/79/19/728747919.db2.gz XCDQCJJVCIERGC-UHFFFAOYSA-N 0 0 352.485 2.918 20 10 FFCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCC(C(N)=O)CC1 ZINC000164358946 728965693 /nfs/dbraw/zinc/96/56/93/728965693.db2.gz XVEBZADDLJIFKP-JTQLQIEISA-N 0 0 355.529 2.645 20 10 FFCDRN Cc1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc(C)c1F ZINC000172883619 729033988 /nfs/dbraw/zinc/03/39/88/729033988.db2.gz MBRUTLMUZNLBEJ-UHFFFAOYSA-N 0 0 372.443 2.615 20 10 FFCDRN CCOCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000175375961 729094911 /nfs/dbraw/zinc/09/49/11/729094911.db2.gz KKRJJMYQSPCSNZ-ZDUSSCGKSA-N 0 0 357.401 2.593 20 10 FFCDRN CCNc1nc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cs1 ZINC000177090422 729128189 /nfs/dbraw/zinc/12/81/89/729128189.db2.gz BWACYIMZSRUWTD-UHFFFAOYSA-N 0 0 360.483 2.936 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)CC3CCCC3)CC2)cc1 ZINC000178308251 729159428 /nfs/dbraw/zinc/15/94/28/729159428.db2.gz DXEHYVNTZYMRFY-UHFFFAOYSA-N 0 0 352.500 2.727 20 10 FFCDRN CCc1nn(C)c(Cl)c1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000179972221 729199805 /nfs/dbraw/zinc/19/98/05/729199805.db2.gz CWTVKJDRCUXJJK-UHFFFAOYSA-N 0 0 362.861 2.607 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CSc2nc(C3CC3)cc(=O)[nH]2)cc1 ZINC000188135388 729384780 /nfs/dbraw/zinc/38/47/80/729384780.db2.gz UNHVOMHWNAWJNO-UHFFFAOYSA-N 0 0 358.467 2.534 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 ZINC000193743898 729488676 /nfs/dbraw/zinc/48/86/76/729488676.db2.gz GIDVRYYRVWHHST-QFBILLFUSA-N 0 0 361.511 2.603 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(C(C)(C)CO)CC1 ZINC000778944968 738423439 /nfs/dbraw/zinc/42/34/39/738423439.db2.gz QMOTYFXQXNMQCO-UHFFFAOYSA-N 0 0 361.511 2.684 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccncn1 ZINC000194097190 729499410 /nfs/dbraw/zinc/49/94/10/729499410.db2.gz LODIYXLGWWUTIX-UHFFFAOYSA-N 0 0 351.204 2.999 20 10 FFCDRN Cc1cc(C(=O)NC2CCS(=O)(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000194514723 729512567 /nfs/dbraw/zinc/51/25/67/729512567.db2.gz QNUJNPDHFWFUTP-UHFFFAOYSA-N 0 0 360.479 2.710 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000924520933 738425506 /nfs/dbraw/zinc/42/55/06/738425506.db2.gz VSFSQXLQVPXJEP-ZYHUDNBSSA-N 0 0 352.740 2.955 20 10 FFCDRN Cc1cc(Br)cc([C@@H](C)NCc2nnc3n2CCC3)c1O ZINC000779001905 738428536 /nfs/dbraw/zinc/42/85/36/738428536.db2.gz GKHKPLOFLJKNIK-SNVBAGLBSA-N 0 0 351.248 2.852 20 10 FFCDRN Cc1cc(Br)cc([C@H](C)NCc2nnc3n2CCC3)c1O ZINC000779001903 738428644 /nfs/dbraw/zinc/42/86/44/738428644.db2.gz GKHKPLOFLJKNIK-JTQLQIEISA-N 0 0 351.248 2.852 20 10 FFCDRN C[C@H](C[C@@H]1CCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761447825 736736026 /nfs/dbraw/zinc/73/60/26/736736026.db2.gz KNPBYWIQBVHKFT-NEPJUHHUSA-N 0 0 352.818 2.625 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@@H]2CC2CCC2)c1 ZINC000856271788 730320309 /nfs/dbraw/zinc/32/03/09/730320309.db2.gz MPIJJYHMWUUBQT-OAHLLOKOSA-N 0 0 366.483 2.949 20 10 FFCDRN CCn1ncc(Cl)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000856746606 730353782 /nfs/dbraw/zinc/35/37/82/730353782.db2.gz RXJWGFASIQZHGW-UHFFFAOYSA-N 0 0 362.861 2.665 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCO[C@H](CCF)C1 ZINC000858543284 730428455 /nfs/dbraw/zinc/42/84/55/730428455.db2.gz HKHNBRGIRDCWBO-CRAIPNDOSA-N 0 0 351.466 2.762 20 10 FFCDRN C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779547974 738469906 /nfs/dbraw/zinc/46/99/06/738469906.db2.gz ZIMPAPPUOZAPOS-WMADIVHISA-N 0 0 350.415 2.531 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000858910539 730436404 /nfs/dbraw/zinc/43/64/04/730436404.db2.gz VQKBMJOVWJSOAD-YPMHNXCESA-N 0 0 355.232 2.521 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@H](C)[S@@](C)=O)c1 ZINC000860203101 730487177 /nfs/dbraw/zinc/48/71/77/730487177.db2.gz WTGSORWMWZLOST-HWRSSNJWSA-N 0 0 360.479 2.794 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cc(OC)n[nH]1 ZINC000861382670 730606357 /nfs/dbraw/zinc/60/63/57/730606357.db2.gz GFGIXBRCHDLDTR-UHFFFAOYSA-N 0 0 369.219 2.940 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2([S@@](C)=O)CC2)c1 ZINC000861527164 730619680 /nfs/dbraw/zinc/61/96/80/730619680.db2.gz LIUKRUDWTYPPQS-RUZDIDTESA-N 0 0 358.463 2.548 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(C)nc4sccn43)C2)cc1 ZINC000862159661 730672424 /nfs/dbraw/zinc/67/24/24/730672424.db2.gz VQQZLUWEIGZWHZ-ZDUSSCGKSA-N 0 0 356.451 2.722 20 10 FFCDRN CO[C@H](C[C@H]([NH2+]Cc1c(O)cccc1Br)C(=O)[O-])C1CC1 ZINC000864516466 730855493 /nfs/dbraw/zinc/85/54/93/730855493.db2.gz NNYCLKMHRJPBOO-GXTWGEPZSA-N 0 0 358.232 2.513 20 10 FFCDRN Cc1cc(Br)c(O)c(CNc2ncc3c(n2)CCOC3)c1 ZINC000865293887 730936297 /nfs/dbraw/zinc/93/62/97/730936297.db2.gz APAVEBGDAFNAQI-UHFFFAOYSA-N 0 0 350.216 2.938 20 10 FFCDRN Cc1cc(F)c(S(N)(=O)=O)c(NCc2ccc(N(C)C)c(F)c2)c1 ZINC000865483272 730961234 /nfs/dbraw/zinc/96/12/34/730961234.db2.gz PGQCSLPLEPUKNR-UHFFFAOYSA-N 0 0 355.410 2.599 20 10 FFCDRN CCn1cnc2c1nc(Cl)nc2Sc1ncc(C(=O)OC)s1 ZINC000865842785 731003112 /nfs/dbraw/zinc/00/31/12/731003112.db2.gz GSGSZDCEUBAMKH-UHFFFAOYSA-N 0 0 355.832 2.894 20 10 FFCDRN C[C@@H](NS(=O)(=O)C[C@H]1CCC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000866606444 731079639 /nfs/dbraw/zinc/07/96/39/731079639.db2.gz YPSMRBSZSWOVGN-UKRRQHHQSA-N 0 0 374.453 2.549 20 10 FFCDRN O=S(=O)(C[C@@H]1CCC(F)(F)C1)NCCCSc1nccs1 ZINC000866782801 731099111 /nfs/dbraw/zinc/09/91/11/731099111.db2.gz YSPYHGBNJSFLDP-SNVBAGLBSA-N 0 0 356.485 2.980 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 ZINC000780047804 738510804 /nfs/dbraw/zinc/51/08/04/738510804.db2.gz NWSZKKLKLYXCLO-UHFFFAOYSA-N 0 0 370.739 2.902 20 10 FFCDRN CCO[C@@H](C(=O)NCc1cccc(Br)c1O)C1CCOCC1 ZINC000867830563 731231456 /nfs/dbraw/zinc/23/14/56/731231456.db2.gz BXZJZHSBFROLIK-OAHLLOKOSA-N 0 0 372.259 2.603 20 10 FFCDRN C[C@@H](NC(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000868148786 731263891 /nfs/dbraw/zinc/26/38/91/731263891.db2.gz KVTSYSKRHGMMIH-KCPJHIHWSA-N 0 0 357.376 2.834 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(N(C)C)c(Cl)c1 ZINC000653672557 731283487 /nfs/dbraw/zinc/28/34/87/731283487.db2.gz SBVWBCWSXZQXPF-UHFFFAOYSA-N 0 0 360.845 2.906 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[C@@H]1CCSC1 ZINC000868833912 731336401 /nfs/dbraw/zinc/33/64/01/731336401.db2.gz YACVVNUJCSMKFH-QGZVFWFLSA-N 0 0 363.527 2.808 20 10 FFCDRN COc1ccc(/C=C2/SC(=S)N(CCc3ccccn3)C2=O)cn1 ZINC000780143621 738521896 /nfs/dbraw/zinc/52/18/96/738521896.db2.gz QPFDEJANQSZNBT-GXDHUFHOSA-N 0 0 357.460 2.929 20 10 FFCDRN O=C(NCCc1cccc(C(F)(F)F)n1)NCc1c(O)cccc1F ZINC000922605012 738172491 /nfs/dbraw/zinc/17/24/91/738172491.db2.gz DVSONUVHNGBGNO-UHFFFAOYSA-N 0 0 357.307 2.987 20 10 FFCDRN O=S(=O)(NN=c1[nH]c2ccncc2s1)c1ccc2c(c1)CCCC2 ZINC000872385152 731759544 /nfs/dbraw/zinc/75/95/44/731759544.db2.gz UPTGYEVUUATLHX-UHFFFAOYSA-N 0 0 360.464 2.876 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873145097 731880961 /nfs/dbraw/zinc/88/09/61/731880961.db2.gz ILHYJBPNYXMKOR-SCDSUCTJSA-N 0 0 369.259 2.912 20 10 FFCDRN CSCCc1ccccc1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC000874099729 732010084 /nfs/dbraw/zinc/01/00/84/732010084.db2.gz CDOZHHMZTLMNKW-UHFFFAOYSA-N 0 0 356.447 2.779 20 10 FFCDRN C[C@@H](NC(=O)C(=O)Nc1nc2c(s1)CCC2(C)C)c1ccccc1O ZINC000874191230 732023545 /nfs/dbraw/zinc/02/35/45/732023545.db2.gz BDWOODCJZHKFPS-SNVBAGLBSA-N 0 0 359.451 2.888 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCN(CC(F)(F)F)CC2)cc1 ZINC000874209746 732025897 /nfs/dbraw/zinc/02/58/97/732025897.db2.gz FJOKKRQZRIASDS-UHFFFAOYSA-N 0 0 357.336 2.559 20 10 FFCDRN CCOC(=O)C1=CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000875374370 732149241 /nfs/dbraw/zinc/14/92/41/732149241.db2.gz IXFVFFXYERKOHZ-LBPRGKRZSA-N 0 0 355.485 2.576 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)CCNC(=O)OC(C)(C)C)c1 ZINC000875466329 732157994 /nfs/dbraw/zinc/15/79/94/732157994.db2.gz JMILHJUOYMUCRI-CYBMUJFWSA-N 0 0 351.447 2.803 20 10 FFCDRN COc1cccc(CNC(=O)NCCc2cc(F)c(F)c(F)c2)c1O ZINC000780880666 738585383 /nfs/dbraw/zinc/58/53/83/738585383.db2.gz CGZKCLZASOLEAC-UHFFFAOYSA-N 0 0 354.328 2.860 20 10 FFCDRN Cc1ccc(CNc2cccc(S(=O)(=O)NC3=NCCC3)c2)c(O)c1 ZINC000877514858 732378007 /nfs/dbraw/zinc/37/80/07/732378007.db2.gz WJIDZLUWCMBYJN-UHFFFAOYSA-N 0 0 359.451 2.783 20 10 FFCDRN Cc1ccc(CN2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)c(O)c1 ZINC000877649704 732406131 /nfs/dbraw/zinc/40/61/31/732406131.db2.gz FIGCATIYDXCOOL-LJQANCHMSA-N 0 0 361.463 2.678 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2csc(Cl)n2)cc1 ZINC000781213153 738607597 /nfs/dbraw/zinc/60/75/97/738607597.db2.gz XHHKWSFMLVLJDG-UHFFFAOYSA-N 0 0 367.858 2.678 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2ccc(SC(F)F)cc2)SC1=S ZINC000781549681 738636038 /nfs/dbraw/zinc/63/60/38/738636038.db2.gz HYDMVUFVZLDPDO-WEVVVXLNSA-N 0 0 360.432 2.688 20 10 FFCDRN COC(=O)[C@H](N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000781594455 738639582 /nfs/dbraw/zinc/63/95/82/738639582.db2.gz MVOHDYJDUYHJJQ-XJKSGUPXSA-N 0 0 354.397 2.798 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H](N(C)C)C(F)(F)F)c1 ZINC000926812462 738656679 /nfs/dbraw/zinc/65/66/79/738656679.db2.gz JOWDRWRZKHTUPQ-IINYFYTJSA-N 0 0 363.380 2.644 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1cccc2c1NC(=O)CO2 ZINC000880932632 732994637 /nfs/dbraw/zinc/99/46/37/732994637.db2.gz VLSFCCBDHOSPFU-UHFFFAOYSA-N 0 0 364.452 2.778 20 10 FFCDRN Cc1cc(Br)c(O)c(CN(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000781907067 738670611 /nfs/dbraw/zinc/67/06/11/738670611.db2.gz CUDYAWFRZJHRDZ-WDEREUQCSA-N 0 0 364.305 2.717 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)C[C@]3(C)CC3(F)F)CC2)cc1 ZINC000881855087 733120794 /nfs/dbraw/zinc/12/07/94/733120794.db2.gz LUWDXLOWLAOGPF-INIZCTEOSA-N 0 0 374.453 2.629 20 10 FFCDRN COC(=O)c1cnc(SC[C@@H](O)c2cc(Br)no2)s1 ZINC000882174714 733183638 /nfs/dbraw/zinc/18/36/38/733183638.db2.gz XIABWMSFTDGLNC-RXMQYKEDSA-N 0 0 365.230 2.506 20 10 FFCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1cc(Br)c(F)cc1[O-] ZINC000927156737 738698141 /nfs/dbraw/zinc/69/81/41/738698141.db2.gz POQMWIMRJDMJEZ-ULKVUYOBSA-N 0 0 374.250 2.874 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)COCC1CC1 ZINC000882946151 733313380 /nfs/dbraw/zinc/31/33/80/733313380.db2.gz YCOUUZQEXMEKND-GFCCVEGCSA-N 0 0 364.667 2.685 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H](CO)Cc1ccco1 ZINC000883050943 733326330 /nfs/dbraw/zinc/32/63/30/733326330.db2.gz HPZMQFOXOHQZMD-SNVBAGLBSA-N 0 0 358.207 2.828 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1COc2ccccc2[C@@H]1O ZINC000883121944 733338546 /nfs/dbraw/zinc/33/85/46/733338546.db2.gz WEKRLMZGIHAYGB-CJNGLKHVSA-N 0 0 368.202 2.878 20 10 FFCDRN Cc1noc([C@@H]2OCC[C@@H]2[NH2+]Cc2cc(Br)cc(F)c2[O-])n1 ZINC000883192009 733349049 /nfs/dbraw/zinc/34/90/49/733349049.db2.gz OYUTWQNBMKMWBQ-WCQYABFASA-N 0 0 372.194 2.605 20 10 FFCDRN CCCc1nsc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 ZINC000884693992 733550303 /nfs/dbraw/zinc/55/03/03/733550303.db2.gz WZUJQPCHKTUOJK-UHFFFAOYSA-N 0 0 359.499 2.804 20 10 FFCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3nnc4n3CCCC4)sc2n1 ZINC000782483099 738725999 /nfs/dbraw/zinc/72/59/99/738725999.db2.gz OZNSBVONVKZUFD-UHFFFAOYSA-N 0 0 357.439 2.780 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)CCCC3CC3)CC2)cc1 ZINC000884997470 733606101 /nfs/dbraw/zinc/60/61/01/733606101.db2.gz UWCXFEVFMAKEMZ-UHFFFAOYSA-N 0 0 352.500 2.774 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886771091 733830252 /nfs/dbraw/zinc/83/02/52/733830252.db2.gz CDALDHZMMXRSRB-CVRPBIKUSA-N 0 0 350.415 2.924 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cncc(Cl)c1 ZINC000889832842 734232597 /nfs/dbraw/zinc/23/25/97/734232597.db2.gz OMJSADIXIQVVHE-UHFFFAOYSA-N 0 0 360.845 2.788 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)C1CCN(C(=O)c2ccoc2)CC1 ZINC000890758447 734336678 /nfs/dbraw/zinc/33/66/78/734336678.db2.gz YNWPEWXAAFJYAX-UHFFFAOYSA-N 0 0 362.813 2.807 20 10 FFCDRN COc1ccc(CN2CC[C@H]2C(=O)NCc2cccc(Cl)c2O)cc1 ZINC000890761024 734336814 /nfs/dbraw/zinc/33/68/14/734336814.db2.gz IQTZKJZLYMJPNU-KRWDZBQOSA-N 0 0 360.841 2.945 20 10 FFCDRN CC(C)(C)OC(=O)C1(C(=O)NCc2cccc(Cl)c2O)CCOCC1 ZINC000890762494 734337310 /nfs/dbraw/zinc/33/73/10/734337310.db2.gz FDVJFRGEAQAVPW-UHFFFAOYSA-N 0 0 369.845 2.800 20 10 FFCDRN Oc1cccc(Br)c1CN1CCN(CC(F)(F)F)CC1 ZINC000707151822 734361735 /nfs/dbraw/zinc/36/17/35/734361735.db2.gz HOUFOFZRCJUEGG-UHFFFAOYSA-N 0 0 353.182 2.835 20 10 FFCDRN CCN(CCNC(=S)Nc1ccc(C(N)=O)cc1)c1ccccc1C ZINC000726463291 734427759 /nfs/dbraw/zinc/42/77/59/734427759.db2.gz VOVNEVQUXVMQAE-UHFFFAOYSA-N 0 0 356.495 2.907 20 10 FFCDRN O=C(NCCCN1CCCCCC1=O)NCc1cccc(Cl)c1O ZINC000891553761 734444838 /nfs/dbraw/zinc/44/48/38/734444838.db2.gz OMQPOROAVMOVQD-UHFFFAOYSA-N 0 0 353.850 2.638 20 10 FFCDRN Cc1cccc(-c2n[nH]cc2C=C2SC(N3CCOCC3)=NC2=O)c1 ZINC000728785710 734543739 /nfs/dbraw/zinc/54/37/39/734543739.db2.gz KQUKIZAAWHXFBF-GDNBJRDFSA-N 0 0 354.435 2.688 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCNC(=O)[C@H]2CC(C)C)c1 ZINC000783728292 738829955 /nfs/dbraw/zinc/82/99/55/738829955.db2.gz KOHWRUKJSBHTMH-CQSZACIVSA-N 0 0 355.276 2.810 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000731872481 734702394 /nfs/dbraw/zinc/70/23/94/734702394.db2.gz MIHMHAFRXZZXTL-UHFFFAOYSA-N 0 0 368.817 2.844 20 10 FFCDRN O=C(NC[C@H](O)COc1cccc(C(F)(F)F)c1)C1=CC(=O)CS1 ZINC000731872181 734702512 /nfs/dbraw/zinc/70/25/12/734702512.db2.gz ZPLOXJRYJASYGF-NSHDSACASA-N 0 0 361.341 2.642 20 10 FFCDRN COc1cc(N(C)[C@H]2CCC3(C[C@H]2F)OCCO3)cc(OC)c1OC ZINC000893462735 734704650 /nfs/dbraw/zinc/70/46/50/734704650.db2.gz UJGUSFXWVCEOOH-KGLIPLIRSA-N 0 0 355.406 2.782 20 10 FFCDRN Cc1cc(C(=O)NCc2nc[nH]n2)c(C)n1-c1ccccc1Br ZINC000732116548 734717548 /nfs/dbraw/zinc/71/75/48/734717548.db2.gz UBSUBYVWWOVWAY-UHFFFAOYSA-N 0 0 374.242 2.905 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Cc2ccn(CC(F)(F)F)n2)cc1F ZINC000893676115 734735729 /nfs/dbraw/zinc/73/57/29/734735729.db2.gz XEGLRORKPBIZHC-UHFFFAOYSA-N 0 0 358.339 2.509 20 10 FFCDRN C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893977246 734781041 /nfs/dbraw/zinc/78/10/41/734781041.db2.gz CQZODCCBVLCWBK-JTQLQIEISA-N 0 0 356.394 2.511 20 10 FFCDRN Cc1cc(CC(=O)OCc2nnnn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000733422077 734819217 /nfs/dbraw/zinc/81/92/17/734819217.db2.gz LDAMNZZSWPJOJM-UHFFFAOYSA-N 0 0 359.817 2.557 20 10 FFCDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCSc1nccs1 ZINC000733899575 734857164 /nfs/dbraw/zinc/85/71/64/734857164.db2.gz KDWFEUCMDFRJEM-UHFFFAOYSA-N 0 0 373.481 2.820 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1C ZINC000733956306 734862645 /nfs/dbraw/zinc/86/26/45/734862645.db2.gz BTVKEVKIQKUMHF-INIZCTEOSA-N 0 0 360.479 2.710 20 10 FFCDRN Cn1cc(-c2cncc(C(=O)NCCCSc3nccs3)c2)cn1 ZINC000733974997 734864976 /nfs/dbraw/zinc/86/49/76/734864976.db2.gz UNGHPAZBHMSQEL-UHFFFAOYSA-N 0 0 359.480 2.851 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000895073748 734960204 /nfs/dbraw/zinc/96/02/04/734960204.db2.gz JWFWHOHIXVGUDE-GFCCVEGCSA-N 0 0 367.222 2.770 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCO[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000739897432 735061720 /nfs/dbraw/zinc/06/17/20/735061720.db2.gz IOAUPSSVTBFRGI-DXTPNHAXSA-N 0 0 360.288 2.549 20 10 FFCDRN Cc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(Br)n1 ZINC000784381831 738885151 /nfs/dbraw/zinc/88/51/51/738885151.db2.gz VGNDSTIRFHXFEF-UHFFFAOYSA-N 0 0 366.167 2.603 20 10 FFCDRN C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC1(C)OCCO1 ZINC000896521933 735172491 /nfs/dbraw/zinc/17/24/91/735172491.db2.gz XOQBXLBGQZHAPR-JTQLQIEISA-N 0 0 351.424 2.832 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)NCc3cccc(Cl)c3O)O2)CO1 ZINC000896521940 735172576 /nfs/dbraw/zinc/17/25/76/735172576.db2.gz LFIYDIXWWUKBRF-ZUCKAHLUSA-N 0 0 354.834 2.571 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000897104203 735194684 /nfs/dbraw/zinc/19/46/84/735194684.db2.gz DBSOCCFVTBDWRY-ISVAXAHUSA-N 0 0 361.341 2.840 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCO[C@H](c3ccnn3C)C2)c1 ZINC000897561630 735248309 /nfs/dbraw/zinc/24/83/09/735248309.db2.gz ABJKNMNFBSCKJM-HNNXBMFYSA-N 0 0 366.259 2.770 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1c(O)cccc1F ZINC000928706230 738897640 /nfs/dbraw/zinc/89/76/40/738897640.db2.gz PILDKVYTILFKPX-SMDDNHRTSA-N 0 0 352.406 2.841 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000748482754 735649324 /nfs/dbraw/zinc/64/93/24/735649324.db2.gz YORHRNDXHQGBHH-UHFFFAOYSA-N 0 0 354.284 2.546 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1C(F)(F)F ZINC000748482372 735649446 /nfs/dbraw/zinc/64/94/46/735649446.db2.gz TUIKWLMEQVMVRZ-UHFFFAOYSA-N 0 0 352.312 2.974 20 10 FFCDRN COC(=O)CN(CCC(=O)OC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000749296618 735711464 /nfs/dbraw/zinc/71/14/64/735711464.db2.gz GQNMGNQMVMWSKD-UHFFFAOYSA-N 0 0 357.834 2.752 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C(C)(C)c3nccs3)CC2)cc1F ZINC000900997082 735732459 /nfs/dbraw/zinc/73/24/59/735732459.db2.gz FLQLTUBGRBMJRU-UHFFFAOYSA-N 0 0 363.458 2.917 20 10 FFCDRN COc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1F ZINC000749731590 735743137 /nfs/dbraw/zinc/74/31/37/735743137.db2.gz UWGFSDZGHSNVHL-UHFFFAOYSA-N 0 0 369.443 2.528 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc(C2CC2)o1 ZINC000901327804 735767478 /nfs/dbraw/zinc/76/74/78/735767478.db2.gz UTZFRVLDYFFFFH-UHFFFAOYSA-N 0 0 364.785 2.726 20 10 FFCDRN COc1ccc(N2CCN(Cn3c(=O)sc4c3CCCC4)CC2)cc1 ZINC000750873279 735821205 /nfs/dbraw/zinc/82/12/05/735821205.db2.gz LFZNUIDNFAJARX-UHFFFAOYSA-N 0 0 359.495 2.577 20 10 FFCDRN O=C(COCC(F)(F)F)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751302988 735862557 /nfs/dbraw/zinc/86/25/57/735862557.db2.gz SCQRQNQGUQEETB-UHFFFAOYSA-N 0 0 350.300 2.914 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2c(C)ccc3ncccc32)c1 ZINC000751419734 735872209 /nfs/dbraw/zinc/87/22/09/735872209.db2.gz WJCRXMPFIAKOKO-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccncc3)cc2F)SC1=S ZINC000751527280 735890910 /nfs/dbraw/zinc/89/09/10/735890910.db2.gz SJQOCLGBMQRKCM-ZSOIEALJSA-N 0 0 373.434 2.574 20 10 FFCDRN Cc1noc(CCCOC(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000751937681 735937667 /nfs/dbraw/zinc/93/76/67/735937667.db2.gz SZVPOMIVDHKQQZ-UHFFFAOYSA-N 0 0 358.423 2.797 20 10 FFCDRN CO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1(C)C ZINC000753347152 736058243 /nfs/dbraw/zinc/05/82/43/736058243.db2.gz BUQBPSPNPXRUAN-DLBZAZTESA-N 0 0 363.527 2.853 20 10 FFCDRN CO[C@]1(C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CCS(=O)(=O)C1 ZINC000903361705 736080070 /nfs/dbraw/zinc/08/00/70/736080070.db2.gz AJYUVYDNTNIPNP-XPTSAGLGSA-N 0 0 368.282 2.553 20 10 FFCDRN C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000903432739 736092960 /nfs/dbraw/zinc/09/29/60/736092960.db2.gz QHVQQRXFNAHSAE-VIFPVBQESA-N 0 0 358.225 2.702 20 10 FFCDRN Cc1ccc(/C=C\C(=O)N2CCCc3ccc(S(C)(=O)=O)cc32)cn1 ZINC000754213334 736135704 /nfs/dbraw/zinc/13/57/04/736135704.db2.gz NHQHLYDBEAJVCF-YFHOEESVSA-N 0 0 356.447 2.786 20 10 FFCDRN C[C@@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCOC1 ZINC000754247271 736140104 /nfs/dbraw/zinc/14/01/04/736140104.db2.gz VGOUZLJWHIDAJC-GOSISDBHSA-N 0 0 354.397 2.800 20 10 FFCDRN C[C@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784971567 738930087 /nfs/dbraw/zinc/93/00/87/738930087.db2.gz SJBFWHFWZAPFBR-JTQLQIEISA-N 0 0 350.754 2.945 20 10 FFCDRN COc1ccc(N(CC(C)C)C[C@@H]2CCCN(S(C)(=O)=O)C2)cc1 ZINC000754642159 736181855 /nfs/dbraw/zinc/18/18/55/736181855.db2.gz YTZOEUYFLKKUQE-INIZCTEOSA-N 0 0 354.516 2.829 20 10 FFCDRN C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000756533440 736339190 /nfs/dbraw/zinc/33/91/90/736339190.db2.gz HZVDSVDKZKIRJN-QWRGUYRKSA-N 0 0 361.255 2.665 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1cc(Br)c(F)cc1[O-] ZINC000756550028 736341517 /nfs/dbraw/zinc/34/15/17/736341517.db2.gz PVQZATMOOOGPKG-QJPTWQEYSA-N 0 0 373.266 2.808 20 10 FFCDRN C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1cc(F)cc(F)c1[O-] ZINC000756554983 736342024 /nfs/dbraw/zinc/34/20/24/736342024.db2.gz LAEZZGNKHLWLHJ-NSHDSACASA-N 0 0 371.405 2.804 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)c(F)cc1[O-] ZINC000756639825 736349052 /nfs/dbraw/zinc/34/90/52/736349052.db2.gz GFQXYFVMXWSGNX-MRVPVSSYSA-N 0 0 368.206 2.639 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756776479 736360588 /nfs/dbraw/zinc/36/05/88/736360588.db2.gz ZOYJOQBSLGXTGU-IGJMFERPSA-N 0 0 359.239 2.859 20 10 FFCDRN CCC1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCC1 ZINC000756913575 736372604 /nfs/dbraw/zinc/37/26/04/736372604.db2.gz ILKALJOAYQZWHX-UHFFFAOYSA-N 0 0 364.511 2.508 20 10 FFCDRN CCCNC(=O)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000757741002 736424217 /nfs/dbraw/zinc/42/42/17/736424217.db2.gz AMITVTQHUCQKGX-UHFFFAOYSA-N 0 0 361.873 2.932 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@@]3(C)CCCS3(=O)=O)cc2)CC1 ZINC000906617409 736525082 /nfs/dbraw/zinc/52/50/82/736525082.db2.gz RZOHCEAEOSYWFC-LJQANCHMSA-N 0 0 364.511 2.506 20 10 FFCDRN Cc1cc(C)c2c(N)c(C(=O)OCCCS(=O)(=O)C(C)C)sc2n1 ZINC000758929621 736532813 /nfs/dbraw/zinc/53/28/13/736532813.db2.gz STLCJHPHPSBTGP-UHFFFAOYSA-N 0 0 370.496 2.865 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCC(=O)N1C ZINC000906993773 736569900 /nfs/dbraw/zinc/56/99/00/736569900.db2.gz NAPNGYQIPZLILE-ZDUSSCGKSA-N 0 0 369.259 2.514 20 10 FFCDRN C[C@@H](COCC(F)(F)F)NC(=O)NCCCSc1nccs1 ZINC000759575020 736577985 /nfs/dbraw/zinc/57/79/85/736577985.db2.gz NAGBGZPNNMZPOM-VIFPVBQESA-N 0 0 357.423 2.892 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1nnc(-c2ccccc2)[nH]1 ZINC000759579203 736578326 /nfs/dbraw/zinc/57/83/26/736578326.db2.gz BXWWJVAAGZGOBJ-UHFFFAOYSA-N 0 0 374.495 2.910 20 10 FFCDRN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759579789 736578397 /nfs/dbraw/zinc/57/83/97/736578397.db2.gz LJBIWHKRZOAXPP-QWHCGFSZSA-N 0 0 370.544 2.572 20 10 FFCDRN O=C(NCCOc1ccc(C(F)(F)F)cn1)NCc1ccccc1O ZINC000760835210 736672765 /nfs/dbraw/zinc/67/27/65/736672765.db2.gz FITAWMMRFDDYSK-UHFFFAOYSA-N 0 0 355.316 2.684 20 10 FFCDRN Cc1cc(O)c(CN2CCN(S(C)(=O)=O)c3ccccc3C2)cc1C ZINC000763328764 736927939 /nfs/dbraw/zinc/92/79/39/736927939.db2.gz TYBJLLFIJWUERY-UHFFFAOYSA-N 0 0 360.479 2.791 20 10 FFCDRN C[N@H+](CCCNC(=O)C1CCC1)Cc1cccc(Br)c1[O-] ZINC000763626345 736954247 /nfs/dbraw/zinc/95/42/47/736954247.db2.gz MDSYXQDQILGWAL-UHFFFAOYSA-N 0 0 355.276 2.893 20 10 FFCDRN CCC[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)C ZINC000763943587 736980687 /nfs/dbraw/zinc/98/06/87/736980687.db2.gz DOGRPOMVELKNMR-SFHVURJKSA-N 0 0 366.527 2.610 20 10 FFCDRN COc1ccc(N2CCN(c3ncncc3Br)CC2)cc1F ZINC000765519182 737128143 /nfs/dbraw/zinc/12/81/43/737128143.db2.gz KBQOIEQZMFMBFD-UHFFFAOYSA-N 0 0 367.222 2.713 20 10 FFCDRN O=C(NCCc1cscn1)NCc1cccc(Br)c1O ZINC000765533429 737130452 /nfs/dbraw/zinc/13/04/52/737130452.db2.gz GBWQVYSTTCVEPI-UHFFFAOYSA-N 0 0 356.245 2.653 20 10 FFCDRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1ccc(O)cc1O ZINC000910945741 737148451 /nfs/dbraw/zinc/14/84/51/737148451.db2.gz XEUJVBVNQCWPTE-LBPRGKRZSA-N 0 0 352.431 2.750 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)[C@@H](O)CCc1ccccc1 ZINC000765732870 737150402 /nfs/dbraw/zinc/15/04/02/737150402.db2.gz UEFVGSLCEBIMTA-HNNXBMFYSA-N 0 0 364.239 2.765 20 10 FFCDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cccc(Br)c1O ZINC000765758478 737155016 /nfs/dbraw/zinc/15/50/16/737155016.db2.gz YHLOONKADQQTNQ-UHFFFAOYSA-N 0 0 365.183 2.922 20 10 FFCDRN CCOC(=O)C1(CC(=O)NCc2cccc(Br)c2O)CCC1 ZINC000765764112 737155958 /nfs/dbraw/zinc/15/59/58/737155958.db2.gz JHOSWKJHFIHNRN-UHFFFAOYSA-N 0 0 370.243 2.894 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC[C@H](C)[S@](C)=O)cc1 ZINC000765982788 737180392 /nfs/dbraw/zinc/18/03/92/737180392.db2.gz WRLBZJDFNXLUAS-OWJWWREXSA-N 0 0 353.532 2.831 20 10 FFCDRN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)cc1 ZINC000766048029 737186371 /nfs/dbraw/zinc/18/63/71/737186371.db2.gz PGGDPSRIOTUGFI-UHFFFAOYSA-N 0 0 362.407 2.744 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C1C[C@H]2CC[C@@H](C1)S2 ZINC000911309352 737191401 /nfs/dbraw/zinc/19/14/01/737191401.db2.gz LPGLZXSUNFIGJA-MQVJKMGUSA-N 0 0 363.479 2.958 20 10 FFCDRN CCOc1ccc(CNc2cccc(S(=O)(=O)N(C)C)c2)c(O)c1 ZINC000766213221 737208496 /nfs/dbraw/zinc/20/84/96/737208496.db2.gz MQZJCOQLOYKBAC-UHFFFAOYSA-N 0 0 350.440 2.653 20 10 FFCDRN CN1CCO[C@@H]([C@H](NC(=O)C2=CC(=O)CS2)c2ccc(Cl)cc2)C1 ZINC000766250035 737212581 /nfs/dbraw/zinc/21/25/81/737212581.db2.gz RTAGZGXHPIRALO-GDBMZVCRSA-N 0 0 366.870 2.909 20 10 FFCDRN CC(C)c1ncc(Br)c(C(=O)NCCc2ccc(N)cc2)n1 ZINC000911781874 737233305 /nfs/dbraw/zinc/23/33/05/737233305.db2.gz CSXTVNVWUIOCKW-UHFFFAOYSA-N 0 0 363.259 2.917 20 10 FFCDRN C[C@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000766593166 737245178 /nfs/dbraw/zinc/24/51/78/737245178.db2.gz CZDWLIXWCHTSLJ-LLVKDONJSA-N 0 0 363.355 2.802 20 10 FFCDRN CCCCc1nnc(NC(=O)CN(C)c2ccc(OC)c(OC)c2)s1 ZINC000766859508 737269703 /nfs/dbraw/zinc/26/97/03/737269703.db2.gz KNFMFGFNKHUREY-UHFFFAOYSA-N 0 0 364.471 2.973 20 10 FFCDRN COC(=O)[C@H](OC(=O)C1=CC(=O)CS1)c1cc(OC)cc(OC)c1 ZINC000767344380 737316796 /nfs/dbraw/zinc/31/67/96/737316796.db2.gz FZIOSJINKWNPCG-CQSZACIVSA-N 0 0 352.364 2.542 20 10 FFCDRN CN(C)c1ccc(CN2CCN(C3=NCC(C)(C)S3)CC2)cc1F ZINC000768885262 737472371 /nfs/dbraw/zinc/47/23/71/737472371.db2.gz BXMJVISAFUHTFH-UHFFFAOYSA-N 0 0 350.507 2.891 20 10 FFCDRN O=C(NCc1ccccc1O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000769366247 737521974 /nfs/dbraw/zinc/52/19/74/737521974.db2.gz XCDBWFVAGXBCQB-UHFFFAOYSA-N 0 0 373.206 2.926 20 10 FFCDRN O=C([C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1)N1CCCC1 ZINC000769403989 737525243 /nfs/dbraw/zinc/52/52/43/737525243.db2.gz GSJKTHAHPMQSPE-GFCCVEGCSA-N 0 0 367.833 2.788 20 10 FFCDRN CCCN(CCC)c1ccc(CN2CCN(CC[S@@](C)=O)CC2)cc1 ZINC000769480262 737533692 /nfs/dbraw/zinc/53/36/92/737533692.db2.gz LXSYMLIWPYKBFV-RUZDIDTESA-N 0 0 365.587 2.809 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000769639691 737548669 /nfs/dbraw/zinc/54/86/69/737548669.db2.gz TXCFBPXSWSFYEC-MELADBBJSA-N 0 0 366.483 2.852 20 10 FFCDRN COC(=O)CN(CCO[C@H]1CCCCO1)Cc1cc(Cl)ccc1O ZINC000769746965 737560741 /nfs/dbraw/zinc/56/07/41/737560741.db2.gz MQVGTZJKGKFIMA-KRWDZBQOSA-N 0 0 357.834 2.564 20 10 FFCDRN Cn1ccc2c1cccc2NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769755309 737562389 /nfs/dbraw/zinc/56/23/89/737562389.db2.gz XAEWQNULMCPAFC-UHFFFAOYSA-N 0 0 359.407 2.508 20 10 FFCDRN CCC[C@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769765556 737564163 /nfs/dbraw/zinc/56/41/63/737564163.db2.gz CDZQGWIYNJKULO-SWLSCSKDSA-N 0 0 354.472 2.852 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCC[C@H](N(C)C)C(F)(F)F)cc1F ZINC000915367123 737626891 /nfs/dbraw/zinc/62/68/91/737626891.db2.gz WGUCZLGLKHKSKT-AWEZNQCLSA-N 0 0 364.387 2.574 20 10 FFCDRN O=C1N[C@@H](c2cc(O)cc(Br)c2O)Nc2cc(F)ccc21 ZINC000917503015 737761264 /nfs/dbraw/zinc/76/12/64/737761264.db2.gz WUPXCBABZPTHAO-ZDUSSCGKSA-N 0 0 353.147 2.854 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2cccc(F)c2Cl)c1 ZINC000771934456 737767670 /nfs/dbraw/zinc/76/76/70/737767670.db2.gz QPXYRBYLPPKPBF-UHFFFAOYSA-N 0 0 373.789 2.913 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000918745924 737823082 /nfs/dbraw/zinc/82/30/82/737823082.db2.gz UMCOLALWTNYHJX-SMDDNHRTSA-N 0 0 362.348 2.700 20 10 FFCDRN C[C@@H](NCC(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000772982015 737861345 /nfs/dbraw/zinc/86/13/45/737861345.db2.gz RHWTUQPDHRWOOL-CQSZACIVSA-N 0 0 365.905 2.886 20 10 FFCDRN COc1cccc(OC)c1S(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773088224 737870048 /nfs/dbraw/zinc/87/00/48/737870048.db2.gz NLQSXEWPAUXLQF-CYBMUJFWSA-N 0 0 364.467 2.809 20 10 FFCDRN COC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cs1 ZINC000773090490 737870507 /nfs/dbraw/zinc/87/05/07/737870507.db2.gz YAXBPICJPXIZTP-NSHDSACASA-N 0 0 368.480 2.640 20 10 FFCDRN Cc1ccc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1C ZINC000919812183 737878491 /nfs/dbraw/zinc/87/84/91/737878491.db2.gz NSTPDFDDRQKVKK-CYBMUJFWSA-N 0 0 362.451 2.872 20 10 FFCDRN COC(=O)CN(Cc1nnc(C(C)(C)C)[nH]1)Cc1cc(Cl)ccc1O ZINC000814627944 741851412 /nfs/dbraw/zinc/85/14/12/741851412.db2.gz ZBAFGDGDOIMBPY-UHFFFAOYSA-N 0 0 366.849 2.636 20 10 FFCDRN C[C@@H](NC(=O)N1CCN(CC(F)(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000773622948 737924632 /nfs/dbraw/zinc/92/46/32/737924632.db2.gz JJQQNRKRVJXRFU-CYBMUJFWSA-N 0 0 358.408 2.703 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000773744195 737932580 /nfs/dbraw/zinc/93/25/80/737932580.db2.gz PETVXPJWUHSHHJ-SNVBAGLBSA-N 0 0 358.419 2.503 20 10 FFCDRN CC(C)CN1C(=O)C(=CNc2ccc(C(F)(F)F)cc2)C(=O)NC1=S ZINC000920976588 737937332 /nfs/dbraw/zinc/93/73/32/737937332.db2.gz YCWRREOCYLOZKK-GHXNOFRVSA-N 0 0 371.384 2.901 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCCC23OCCO3)cc1F ZINC000773954389 737948346 /nfs/dbraw/zinc/94/83/46/737948346.db2.gz HYNIKCLMNBUZHA-OAHLLOKOSA-N 0 0 350.434 2.831 20 10 FFCDRN Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000775472394 738095238 /nfs/dbraw/zinc/09/52/38/738095238.db2.gz ODIIWWIKYHGQKJ-UHFFFAOYSA-N 0 0 362.499 2.741 20 10 FFCDRN C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000817979463 742226681 /nfs/dbraw/zinc/22/66/81/742226681.db2.gz BDPNGXKFPVQGAJ-RDDDGLTNSA-N 0 0 353.182 2.942 20 10 FFCDRN C[C@H](C[S@@](C)=O)N(C)Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000776521774 738202799 /nfs/dbraw/zinc/20/27/99/738202799.db2.gz UEIKPLPOSDMHHW-JBEBIEQOSA-N 0 0 353.488 2.784 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@H](C2CC2)C1 ZINC000776854793 738239031 /nfs/dbraw/zinc/23/90/31/738239031.db2.gz ACLBWCCXPGVYRO-SFHVURJKSA-N 0 0 361.511 2.560 20 10 FFCDRN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCS1 ZINC000923336375 738272573 /nfs/dbraw/zinc/27/25/73/738272573.db2.gz KGHPCZRZJSITMU-GDBMZVCRSA-N 0 0 363.527 2.731 20 10 FFCDRN CCCc1nc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)s1 ZINC000777220837 738273179 /nfs/dbraw/zinc/27/31/79/738273179.db2.gz VBLZWXRDYMFEAZ-UHFFFAOYSA-N 0 0 369.468 2.733 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)cnn1 ZINC000787131292 739107521 /nfs/dbraw/zinc/10/75/21/739107521.db2.gz MLNBHBAGSZNUGL-INIZCTEOSA-N 0 0 360.845 2.538 20 10 FFCDRN COc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)n1 ZINC000930520256 739121798 /nfs/dbraw/zinc/12/17/98/739121798.db2.gz QLYDMLQEMFWIPA-UHFFFAOYSA-N 0 0 361.829 2.510 20 10 FFCDRN COCC[N@H+](Cc1ccnn1C)Cc1cccc(Br)c1[O-] ZINC000787331416 739127748 /nfs/dbraw/zinc/12/77/48/739127748.db2.gz KLHVTJXQNBCSMD-UHFFFAOYSA-N 0 0 354.248 2.537 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787832620 739175838 /nfs/dbraw/zinc/17/58/38/739175838.db2.gz JUKCCMYUCBWMPQ-ICTCPBKTSA-N 0 0 351.761 2.753 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc(N(C)C)c2)c1 ZINC000788057585 739201865 /nfs/dbraw/zinc/20/18/65/739201865.db2.gz PBNXQQYNFLOKBY-LBPRGKRZSA-N 0 0 350.440 2.506 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc(N(C)C)c2)c1 ZINC000788057583 739201872 /nfs/dbraw/zinc/20/18/72/739201872.db2.gz PBNXQQYNFLOKBY-GFCCVEGCSA-N 0 0 350.440 2.506 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=S)NC3(C)CC3)cc2F)C[C@H](C)O1 ZINC000789195666 739324409 /nfs/dbraw/zinc/32/44/09/739324409.db2.gz YIPIYYXXLFKQAG-BETUJISGSA-N 0 0 351.491 2.956 20 10 FFCDRN O=C(NCc1c(O)cccc1F)N[C@@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000931865222 739343197 /nfs/dbraw/zinc/34/31/97/739343197.db2.gz CTBMSZXTGYYXRA-ZANVPECISA-N 0 0 350.312 2.831 20 10 FFCDRN CCc1nc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)sc1C ZINC000789506278 739360744 /nfs/dbraw/zinc/36/07/44/739360744.db2.gz HRFNHHVATQOXTM-UHFFFAOYSA-N 0 0 360.483 2.643 20 10 FFCDRN COC(=O)[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1cccs1 ZINC000789572290 739369493 /nfs/dbraw/zinc/36/94/93/739369493.db2.gz PCGYYGOOCJPTRH-QGZVFWFLSA-N 0 0 364.442 2.728 20 10 FFCDRN CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000789916427 739396636 /nfs/dbraw/zinc/39/66/36/739396636.db2.gz XNIDJEOSEADZBP-OAHLLOKOSA-N 0 0 372.506 2.749 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OCCOC)cc1 ZINC000790415492 739450885 /nfs/dbraw/zinc/45/08/85/739450885.db2.gz HBFYKYWSTIJCKE-UHFFFAOYSA-N 0 0 351.424 2.781 20 10 FFCDRN CCOCCOC[C@H](O)C[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000790760144 739491673 /nfs/dbraw/zinc/49/16/73/739491673.db2.gz 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/nfs/dbraw/zinc/76/21/28/739762128.db2.gz QWHXOGPPMLETDR-UHFFFAOYSA-N 0 0 362.289 2.520 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000793360831 739773298 /nfs/dbraw/zinc/77/32/98/739773298.db2.gz ACSHLLKKSITLTO-LRDDRELGSA-N 0 0 356.260 2.843 20 10 FFCDRN CCOC(=O)C1(COC)CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000793365608 739774360 /nfs/dbraw/zinc/77/43/60/739774360.db2.gz JNAIMMNRWPLTPS-UHFFFAOYSA-N 0 0 359.825 2.976 20 10 FFCDRN CCC1(O)CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000794795602 739930889 /nfs/dbraw/zinc/93/08/89/739930889.db2.gz HPDKMUMAXVXUAI-UHFFFAOYSA-N 0 0 366.845 2.894 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCC(F)(F)C1 ZINC000794987899 739948312 /nfs/dbraw/zinc/94/83/12/739948312.db2.gz TYSYAMLBBYSOPD-ZDUSSCGKSA-N 0 0 356.388 2.838 20 10 FFCDRN C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000795826919 740067960 /nfs/dbraw/zinc/06/79/60/740067960.db2.gz CQDQMTDHRMFVST-HBNTYKKESA-N 0 0 362.239 2.589 20 10 FFCDRN COc1ccc(CS(C)(=O)=O)cc1NCc1cccc(OC)c1OC ZINC000796471060 740145665 /nfs/dbraw/zinc/14/56/65/740145665.db2.gz QSORYESHXFQUMM-UHFFFAOYSA-N 0 0 365.451 2.869 20 10 FFCDRN C[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)[C@H]1OCCc2sccc21 ZINC000796503970 740148401 /nfs/dbraw/zinc/14/84/01/740148401.db2.gz GSLHABYZWDMHEQ-BMLIUANNSA-N 0 0 362.403 2.835 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1cc(F)cc(F)c1[O-] ZINC000797112514 740213348 /nfs/dbraw/zinc/21/33/48/740213348.db2.gz HRWPFKABHQMGKM-NOZJJQNGSA-N 0 0 354.319 2.584 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@@]1(CO)CCOc2ccccc21 ZINC000799344752 740411041 /nfs/dbraw/zinc/41/10/41/740411041.db2.gz ZTJPBQBRBRFLET-QGZVFWFLSA-N 0 0 364.239 2.915 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC(=O)N(C)C3)cc2Cl)C1 ZINC000800049743 740478334 /nfs/dbraw/zinc/47/83/34/740478334.db2.gz UZNRFFCUNRJXQH-ZFWWWQNUSA-N 0 0 363.889 2.671 20 10 FFCDRN COc1ccc(C2=NO[C@H](CNC(=O)C3=CC(=O)CS3)C2)cc1F ZINC000802633190 740712960 /nfs/dbraw/zinc/71/29/60/740712960.db2.gz QFWLGOTWKWKWLY-NSHDSACASA-N 0 0 350.371 2.524 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)c1O ZINC000802782172 740730512 /nfs/dbraw/zinc/73/05/12/740730512.db2.gz JZTAIULXYMBBJW-HNNXBMFYSA-N 0 0 355.312 2.769 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cc(Br)c(=O)[nH]c2C)c1 ZINC000802783254 740730767 /nfs/dbraw/zinc/73/07/67/740730767.db2.gz KRNWTHKNTUQNTR-UHFFFAOYSA-N 0 0 367.199 2.502 20 10 FFCDRN C[C@H](c1cccs1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000803661391 740817414 /nfs/dbraw/zinc/81/74/14/740817414.db2.gz ZOMYSQHGCLROAV-GFCCVEGCSA-N 0 0 363.458 2.789 20 10 FFCDRN COc1c(NC(=O)c2cccc(O)c2O)cc(Cl)cc1C(=O)N(C)C ZINC000803799241 740827974 /nfs/dbraw/zinc/82/79/74/740827974.db2.gz YXBVMNVHBHWIMA-UHFFFAOYSA-N 0 0 364.785 2.714 20 10 FFCDRN Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cc(Br)ccc1O ZINC000804732981 740900312 /nfs/dbraw/zinc/90/03/12/740900312.db2.gz HKYFVEDIELWULH-UHFFFAOYSA-N 0 0 366.171 2.575 20 10 FFCDRN CC(C)c1cc(C(=O)NCc2cc(Br)ccc2O)nn1C ZINC000804734644 740900771 /nfs/dbraw/zinc/90/07/71/740900771.db2.gz USFNSWQSPZXAIG-UHFFFAOYSA-N 0 0 352.232 2.942 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cn2c(n1)CCCC2 ZINC000804740860 740902335 /nfs/dbraw/zinc/90/23/35/740902335.db2.gz NJMZKNBFLXFZNB-UHFFFAOYSA-N 0 0 350.216 2.618 20 10 FFCDRN C[C@@H]1COCC[C@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000804969671 740921252 /nfs/dbraw/zinc/92/12/52/740921252.db2.gz RPORQWLHFDOOOZ-WBVHZDCISA-N 0 0 363.527 2.712 20 10 FFCDRN CN(Cc1cccc(F)c1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806279681 741049922 /nfs/dbraw/zinc/04/99/22/741049922.db2.gz WQDWDIHUNXSICW-UHFFFAOYSA-N 0 0 367.471 2.539 20 10 FFCDRN CC(C)OC(=O)[C@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000806877592 741092172 /nfs/dbraw/zinc/09/21/72/741092172.db2.gz BDIRDTSZXPKGOZ-SNVBAGLBSA-N 0 0 373.247 2.542 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCC[C@H]1CCO ZINC000807154371 741114179 /nfs/dbraw/zinc/11/41/79/741114179.db2.gz JHLXPMMZKUIKOO-GWCFXTLKSA-N 0 0 357.248 2.505 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N(C)CCc1cccs1)c1ccc(N(C)C)cc1 ZINC000807671879 741148136 /nfs/dbraw/zinc/14/81/36/741148136.db2.gz UIOJGZACBKBULQ-CQSZACIVSA-N 0 0 359.495 2.692 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000807764122 741155950 /nfs/dbraw/zinc/15/59/50/741155950.db2.gz IHUDEKHSTZDTDE-HUUCEWRRSA-N 0 0 350.484 2.531 20 10 FFCDRN CC[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C)S1(=O)=O ZINC000808193726 741197425 /nfs/dbraw/zinc/19/74/25/741197425.db2.gz MFCQEOXOLWSMTH-IUODEOHRSA-N 0 0 355.500 2.793 20 10 FFCDRN Cc1cc(Br)cc(C[N@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)c1O ZINC000809700315 741333432 /nfs/dbraw/zinc/33/34/32/741333432.db2.gz CPLZPBANSYKZAA-CJNGLKHVSA-N 0 0 369.303 2.758 20 10 FFCDRN COCC[NH+](CCOC)C1CCN(Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000809707094 741334828 /nfs/dbraw/zinc/33/48/28/741334828.db2.gz QMJQQDSIXOTSBQ-UHFFFAOYSA-N 0 0 374.884 2.744 20 10 FFCDRN O=C([N-]C[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000811514751 741532777 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C[C@@H](N[C@H]1CC[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000817945043 742223470 /nfs/dbraw/zinc/22/34/70/742223470.db2.gz SBNDCIOOUIBDLP-APPZFPTMSA-N 0 0 364.081 2.930 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3nc(C)sc3C)C2)cc1 ZINC000819584822 742410962 /nfs/dbraw/zinc/41/09/62/742410962.db2.gz RPEUKCMMWGYTCW-OAHLLOKOSA-N 0 0 359.495 2.954 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CC12CCSCC2 ZINC000819698207 742424754 /nfs/dbraw/zinc/42/47/54/742424754.db2.gz IXGVRMPXJLEANZ-OAHLLOKOSA-N 0 0 363.479 2.817 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](n2ccnc2)C(F)(F)F)c1 ZINC000821064907 742583100 /nfs/dbraw/zinc/58/31/00/742583100.db2.gz INSRADCCFPTXKA-YGRLFVJLSA-N 0 0 357.332 2.968 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3cnccc3Cl)C2)cc1 ZINC000822371169 742724321 /nfs/dbraw/zinc/72/43/21/742724321.db2.gz RZNBTZGNRGTIEU-AWEZNQCLSA-N 0 0 359.857 2.929 20 10 FFCDRN CCOC(=O)CN(Cc1c(Cl)nc(Cl)n1C)Cc1ccccc1O ZINC000822511311 742746535 /nfs/dbraw/zinc/74/65/35/742746535.db2.gz 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Cc1c(Br)cc(C(=O)N[C@@H](C)c2ccccc2O)c(=O)n1C ZINC000827968887 745008956 /nfs/dbraw/zinc/00/89/56/745008956.db2.gz CCRADKGZSMUYOT-VIFPVBQESA-N 0 0 365.227 2.653 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1sc(N(C)C)nc1Cl ZINC000828884752 745133058 /nfs/dbraw/zinc/13/30/58/745133058.db2.gz IQTJZSAUVDVACT-QMMMGPOBSA-N 0 0 355.847 2.635 20 10 FFCDRN Cc1cc(CN2CC[C@@H](C)S(=O)(=O)CC2)ccc1N1CCCCC1 ZINC000829234017 745181615 /nfs/dbraw/zinc/18/16/15/745181615.db2.gz JNNXHGWYBPFDPN-QGZVFWFLSA-N 0 0 350.528 2.994 20 10 FFCDRN Cc1cc(CC(=O)NCC(C)(C)S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000829670520 745242787 /nfs/dbraw/zinc/24/27/87/745242787.db2.gz KCDAKJHPNYHVMH-UHFFFAOYSA-N 0 0 362.495 2.576 20 10 FFCDRN COC(=O)c1cnc(S[C@H](C)C(=O)NCCc2ccccc2)s1 ZINC000829688397 745245515 /nfs/dbraw/zinc/24/55/15/745245515.db2.gz WZIGQEBDAMWRQV-LLVKDONJSA-N 0 0 350.465 2.769 20 10 FFCDRN C[NH+](C)[C@@H]1CCc2cc([N-]S(=O)(=O)c3cccc4nonc43)ccc21 ZINC000830114652 745309042 /nfs/dbraw/zinc/30/90/42/745309042.db2.gz 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745766066 /nfs/dbraw/zinc/76/60/66/745766066.db2.gz AXBYTWNMSYLGLU-UHFFFAOYSA-N 0 0 367.448 2.659 20 10 FFCDRN O=S(=O)(NCC[NH2+][C@@H]1CCc2cccc(O)c21)c1cccc(Cl)c1 ZINC000834541183 745856122 /nfs/dbraw/zinc/85/61/22/745856122.db2.gz QGWBHTLLNJWQIZ-OAHLLOKOSA-N 0 0 366.870 2.601 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000835065176 745943093 /nfs/dbraw/zinc/94/30/93/745943093.db2.gz FGFDSDHZQKPMJU-KRWDZBQOSA-N 0 0 352.431 2.976 20 10 FFCDRN O=C(NC(CF)CF)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000836530050 746248327 /nfs/dbraw/zinc/24/83/27/746248327.db2.gz QDBOPVKAQFAYBX-LLVKDONJSA-N 0 0 363.355 2.864 20 10 FFCDRN CCn1ccnc1[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000836626758 746271811 /nfs/dbraw/zinc/27/18/11/746271811.db2.gz GFJHPHSVXCTESN-SNVBAGLBSA-N 0 0 367.247 2.932 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1sccc1-n1ccnn1 ZINC000837341313 746426321 /nfs/dbraw/zinc/42/63/21/746426321.db2.gz JKKXCBYPFBLTEL-UHFFFAOYSA-N 0 0 353.451 2.859 20 10 FFCDRN C[C@H](CCCCO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837651319 746492734 /nfs/dbraw/zinc/49/27/34/746492734.db2.gz JVAHTPAJDLDYPL-OAHLLOKOSA-N 0 0 351.516 2.590 20 10 FFCDRN O=C(Cc1cccs1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837707664 746503419 /nfs/dbraw/zinc/50/34/19/746503419.db2.gz YZJRCQYVLIFLHV-UHFFFAOYSA-N 0 0 352.406 2.722 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)C(C)(C)C(C)(F)F)cc1 ZINC000838025073 746561791 /nfs/dbraw/zinc/56/17/91/746561791.db2.gz HTAASKMWFVEWQT-UHFFFAOYSA-N 0 0 356.413 2.936 20 10 FFCDRN CC[C@H]1[C@H](CO)CCN1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000838390554 746629902 /nfs/dbraw/zinc/62/99/02/746629902.db2.gz GJSXRYNXSUGJBZ-RDJZCZTQSA-N 0 0 351.466 2.974 20 10 FFCDRN CCN(CC(C)C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838746372 746705406 /nfs/dbraw/zinc/70/54/06/746705406.db2.gz HPENFNKGNDCBBZ-UHFFFAOYSA-N 0 0 355.429 2.989 20 10 FFCDRN C[C@H](C1CC1)N(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747734 746706008 /nfs/dbraw/zinc/70/60/08/746706008.db2.gz XLNXQZOJWWRNLP-GFCCVEGCSA-N 0 0 353.413 2.741 20 10 FFCDRN CO[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)C12CCC2 ZINC000838766281 746709095 /nfs/dbraw/zinc/70/90/95/746709095.db2.gz LOXKCNYYKCBMRU-QWHCGFSZSA-N 0 0 369.259 2.912 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnsn3)cc2F)C[C@H](C)O1 ZINC000839111127 746777459 /nfs/dbraw/zinc/77/74/59/746777459.db2.gz YRIPGTVCAWEINN-PHIMTYICSA-N 0 0 365.434 2.613 20 10 FFCDRN CCS(=O)(=O)CCCNC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000839903073 746957858 /nfs/dbraw/zinc/95/78/58/746957858.db2.gz ZTGRZISQOANORE-UHFFFAOYSA-N 0 0 362.495 2.957 20 10 FFCDRN COc1ccc2ccc(O)c(CN3CCS(=O)(=O)[C@@H]4CCC[C@H]43)c2c1 ZINC000840147795 747019738 /nfs/dbraw/zinc/01/97/38/747019738.db2.gz YYPGLEMBNWGSCL-IEBWSBKVSA-N 0 0 361.463 2.706 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CO)[C@@H]2C)cc1F ZINC000840293213 747057611 /nfs/dbraw/zinc/05/76/11/747057611.db2.gz DSAXMPZCDJKQNG-GOEBONIOSA-N 0 0 351.466 2.974 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840867676 747206687 /nfs/dbraw/zinc/20/66/87/747206687.db2.gz UHGRVIKEWJXJKM-LLVKDONJSA-N 0 0 350.396 2.555 20 10 FFCDRN Cc1cn(C)nc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000841108373 747270810 /nfs/dbraw/zinc/27/08/10/747270810.db2.gz XNFKBOMXXWSCRT-UHFFFAOYSA-N 0 0 354.376 2.999 20 10 FFCDRN C[C@@H]1CCCc2nc(S(=O)(=O)N(C)Cc3ccc(N(C)C)cc3)cn21 ZINC000841476048 747360997 /nfs/dbraw/zinc/36/09/97/747360997.db2.gz FGENNMHVNLRQQW-CQSZACIVSA-N 0 0 362.499 2.667 20 10 FFCDRN CSCC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000841795521 747461758 /nfs/dbraw/zinc/46/17/58/747461758.db2.gz SAFJCSXRAYRKFY-AWEZNQCLSA-N 0 0 367.471 2.881 20 10 FFCDRN Nc1ccc(CCNC(=O)NCCc2cc(C(F)(F)F)ccn2)cc1 ZINC000841911112 747485689 /nfs/dbraw/zinc/48/56/89/747485689.db2.gz YJHKKFZYHVBEKN-UHFFFAOYSA-N 0 0 352.360 2.767 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000842110870 747523264 /nfs/dbraw/zinc/52/32/64/747523264.db2.gz QFYVWKLWVOBHNN-QGZVFWFLSA-N 0 0 359.857 2.848 20 10 FFCDRN CC[C@H](C)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)OC ZINC000842249123 747556134 /nfs/dbraw/zinc/55/61/34/747556134.db2.gz DPHLHZHYKLGREO-XHDPSFHLSA-N 0 0 354.834 2.871 20 10 FFCDRN CO[C@H](CS(=O)(=O)Nc1cc(C)c(O)c(C)c1C)C1CCOCC1 ZINC000842589191 747633657 /nfs/dbraw/zinc/63/36/57/747633657.db2.gz SAXSYNBTXFHTIE-MRXNPFEDSA-N 0 0 357.472 2.501 20 10 FFCDRN COc1cc(Cl)ccc1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000844254730 747993759 /nfs/dbraw/zinc/99/37/59/747993759.db2.gz IPFOVTSEKKKWPQ-UHFFFAOYSA-N 0 0 354.859 2.893 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)C[C@H](OC)C(F)(F)F)C2)cc1 ZINC000844603147 748058815 /nfs/dbraw/zinc/05/88/15/748058815.db2.gz TUHVTJRELMTQGV-WFASDCNBSA-N 0 0 360.376 2.605 20 10 FFCDRN O=S(=O)(NCCCSc1nccs1)c1cccc2c1OCCC2 ZINC000845858379 748338260 /nfs/dbraw/zinc/33/82/60/748338260.db2.gz GPWIYQNHYJRKCB-UHFFFAOYSA-N 0 0 370.521 2.929 20 10 FFCDRN Cc1cccc(CNc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c1O ZINC000845993378 748377695 /nfs/dbraw/zinc/37/76/95/748377695.db2.gz ZMZFMSJNBMCIKB-UHFFFAOYSA-N 0 0 350.415 2.893 20 10 FFCDRN O=S(=O)(NCc1cc(Cl)ccc1O)c1ccc2c(c1)CCCO2 ZINC000845995833 748378217 /nfs/dbraw/zinc/37/82/17/748378217.db2.gz HMPVUOLTQZXVDU-UHFFFAOYSA-N 0 0 353.827 2.849 20 10 FFCDRN CN1CCc2ccc(S(=O)(=O)NCc3cc(Cl)ccc3O)cc21 ZINC000845995473 748378436 /nfs/dbraw/zinc/37/84/36/748378436.db2.gz CUXKSAJEAALDCP-UHFFFAOYSA-N 0 0 352.843 2.516 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2ncc(C3OCCO3)s2)cc1 ZINC000846051456 748392586 /nfs/dbraw/zinc/39/25/86/748392586.db2.gz HCVMAOXGVHUQAU-UHFFFAOYSA-N 0 0 363.483 2.765 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2cc(Br)nn2C)cc1 ZINC000846051126 748392890 /nfs/dbraw/zinc/39/28/90/748392890.db2.gz CDUMJQVMFIVEGC-UHFFFAOYSA-N 0 0 367.291 2.759 20 10 FFCDRN Cc1cc(Br)cc(CN2CCOC[C@@H]2c2ccnn2C)c1O ZINC000846114199 748409595 /nfs/dbraw/zinc/40/95/95/748409595.db2.gz BPDWCKQBJWDKDP-OAHLLOKOSA-N 0 0 366.259 2.770 20 10 FFCDRN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846472067 748487112 /nfs/dbraw/zinc/48/71/12/748487112.db2.gz GJBYTTCFYZHKAW-ZWNOBZJWSA-N 0 0 356.875 2.609 20 10 FFCDRN CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474621 748488180 /nfs/dbraw/zinc/48/81/80/748488180.db2.gz XANOVKMOWQUKDW-ZDUSSCGKSA-N 0 0 366.845 2.919 20 10 FFCDRN COc1cc(Br)cc([C@H](C)N[C@H](C)c2ncn(C)n2)c1O ZINC000848546573 748956414 /nfs/dbraw/zinc/95/64/14/748956414.db2.gz BPEBVJAPKOBHLE-DTWKUNHWSA-N 0 0 355.236 2.704 20 10 FFCDRN CO[C@](C)(CO)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000848558536 748960108 /nfs/dbraw/zinc/96/01/08/748960108.db2.gz MCNSIPKSWUXYMB-OQPBUACISA-N 0 0 352.656 2.856 20 10 FFCDRN C[C@@H](NCc1nnn(C(C)(C)C)n1)c1cc(Br)ccc1O ZINC000848560321 748960968 /nfs/dbraw/zinc/96/09/68/748960968.db2.gz CKTGWSBESHKUGG-SECBINFHSA-N 0 0 354.252 2.747 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCc3coc(C)n3)CC2)cc1 ZINC000848672951 748981943 /nfs/dbraw/zinc/98/19/43/748981943.db2.gz HFKPKFXNDYOAFP-UHFFFAOYSA-N 0 0 361.467 2.574 20 10 FFCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3nnn(C(C)(C)C)n3)sc2n1 ZINC000848693747 748986964 /nfs/dbraw/zinc/98/69/64/748986964.db2.gz OAUAQNUVIDJHQY-UHFFFAOYSA-N 0 0 360.443 2.594 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@@H](OC)C2CCCC2)c1 ZINC000849375859 749119900 /nfs/dbraw/zinc/11/99/00/749119900.db2.gz GJSFIBIARJBJCS-SJKOYZFVSA-N 0 0 357.472 2.586 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cc(C)c(C)s3)C2)cc1 ZINC000849415560 749142097 /nfs/dbraw/zinc/14/20/97/749142097.db2.gz BUIXJXFIVALNBA-CQSZACIVSA-N 0 0 366.508 2.931 20 10 FFCDRN CC(C)[C@@H](Sc1ncc(Cl)s1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000849999108 749280275 /nfs/dbraw/zinc/28/02/75/749280275.db2.gz NZAYTDQHUVCQOP-GXSJLCMTSA-N 0 0 361.920 2.637 20 10 FFCDRN CC(C)(C[NH2+]Cc1cccc(Br)c1[O-])[C@@]1(O)CCCOC1 ZINC000850400843 749359996 /nfs/dbraw/zinc/35/99/96/749359996.db2.gz PEDVSVGJMFBRIA-MRXNPFEDSA-N 0 0 358.276 2.812 20 10 FFCDRN O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)Nc1cnccn1 ZINC000851823334 749689595 /nfs/dbraw/zinc/68/95/95/749689595.db2.gz IDWMSDOFYVTAOP-UHFFFAOYSA-N 0 0 352.316 2.767 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@@]3(O)C[C@H]3C2)c(C)n1-c1ccc(Cl)cn1 ZINC000852538229 749886977 /nfs/dbraw/zinc/88/69/77/749886977.db2.gz VAWOWNCGKRLVPA-IFXJQAMLSA-N 0 0 359.857 2.782 20 10 FFCDRN COc1ccc(CNC(=O)NCc2cnccc2C(F)(F)F)c(O)c1 ZINC000852717990 749931230 /nfs/dbraw/zinc/93/12/30/749931230.db2.gz DJRIUNRIUBVVGH-UHFFFAOYSA-N 0 0 355.316 2.814 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCO[C@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000853998575 750222171 /nfs/dbraw/zinc/22/21/71/750222171.db2.gz ZSQYWPWKWDRSSS-LEXSJLIMSA-N 0 0 356.325 2.641 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC(CC(F)(F)F)C3)C2)cc1 ZINC000854299895 750277181 /nfs/dbraw/zinc/27/71/81/750277181.db2.gz LTSGOWVQOSNKLX-CYBMUJFWSA-N 0 0 357.376 2.868 20 10 FFCDRN O=C(N[C@@H]1CCCC[C@@H]1NC(=O)C1=CC(=O)CS1)C1=CC(=O)CS1 ZINC000855082732 750423551 /nfs/dbraw/zinc/42/35/51/750423551.db2.gz XTYZLTNKYDFDGO-TXEJJXNPSA-N 0 0 366.464 2.692 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])cc1 ZINC000047671179 845148867 /nfs/dbraw/zinc/14/88/67/845148867.db2.gz HRJARVMDYXFUBQ-UHFFFAOYSA-N 0 0 367.402 2.621 20 10 FFCDRN O=C(NCCc1nccs1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000051757244 845232873 /nfs/dbraw/zinc/23/28/73/845232873.db2.gz IMTLKXLXSDRUJJ-OAHLLOKOSA-N 0 0 361.467 2.782 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(F)c2)cc1F ZINC000057732263 845379688 /nfs/dbraw/zinc/37/96/88/845379688.db2.gz UURJCXUNFLYPEM-UHFFFAOYSA-N 0 0 367.783 2.939 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)c3ccc(Cl)nc3)ccc21 ZINC000058511358 845398197 /nfs/dbraw/zinc/39/81/97/845398197.db2.gz FJTHUJWPPPOTRG-UHFFFAOYSA-N 0 0 351.859 2.596 20 10 FFCDRN CC(C)OCCONC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888585995 1013047062 /nfs/dbraw/zinc/04/70/62/1013047062.db2.gz RRMQZHXZSMLIBU-UHFFFAOYSA-N 0 0 355.398 2.874 20 10 FFCDRN CC[C@@H](NC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C(OC)OC ZINC000888586146 1013049388 /nfs/dbraw/zinc/04/93/88/1013049388.db2.gz XBOJBRHFHCDJIG-CYBMUJFWSA-N 0 0 369.425 2.915 20 10 FFCDRN COc1ccc(C(=O)CCCC(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000783083070 970793334 /nfs/dbraw/zinc/79/33/34/970793334.db2.gz IIHFHLYRTSYKBR-UHFFFAOYSA-N 0 0 372.373 2.886 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2COC3(CCCCC3)O2)cc1F ZINC000181114567 970889535 /nfs/dbraw/zinc/88/95/35/970889535.db2.gz GMRKBYVHGOVYAS-OAHLLOKOSA-N 0 0 365.449 2.767 20 10 FFCDRN COc1ccc(CNc2ccc(CCNC(=O)N(C)C)cc2)c(O)c1OC ZINC000895752559 970917097 /nfs/dbraw/zinc/91/70/97/970917097.db2.gz ANCDULAFHHNVKW-UHFFFAOYSA-N 0 0 373.453 2.835 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCOC2(CCC2)C1 ZINC000895780887 970955825 /nfs/dbraw/zinc/95/58/25/970955825.db2.gz YTSCQARIJGAVCO-LJQANCHMSA-N 0 0 372.509 2.861 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)C3(OC)CCC3)CC2)cc1 ZINC000840284631 970974663 /nfs/dbraw/zinc/97/46/63/970974663.db2.gz ZXYRGWRAKSZJDW-HNNXBMFYSA-N 0 0 361.486 2.921 20 10 FFCDRN COc1ccccc1[C@@H]1CN(Cc2ccc(OC)c(OC)c2O)CCO1 ZINC000895850442 971009333 /nfs/dbraw/zinc/00/93/33/971009333.db2.gz IXGXMZKKTFZMAG-SFHVURJKSA-N 0 0 359.422 2.992 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](c2nccn2C)C1 ZINC000840478855 971360340 /nfs/dbraw/zinc/36/03/40/971360340.db2.gz CAWCWNIOXCAHKB-WMZOPIPTSA-N 0 0 369.513 2.925 20 10 FFCDRN COC(=O)c1c(CN2CC[C@@H](c3noc(C)n3)C2)c2cc(F)ccc2n1C ZINC000896230897 971360728 /nfs/dbraw/zinc/36/07/28/971360728.db2.gz NKSMOEHKLUHZGI-GFCCVEGCSA-N 0 0 372.400 2.785 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000648803215 1013082467 /nfs/dbraw/zinc/08/24/67/1013082467.db2.gz GAXRJHYIODBBGL-UHFFFAOYSA-N 0 0 367.327 2.911 20 10 FFCDRN c1ccc(-c2nn[nH]n2)c(OCCOc2ccc(N3CCCC3)cc2)c1 ZINC000826519601 948446612 /nfs/dbraw/zinc/44/66/12/948446612.db2.gz GFGPYWVZXIBZSU-UHFFFAOYSA-N 0 0 351.410 2.925 20 10 FFCDRN COc1ccc(N2CCN(CCCNc3ccc(C(C)=O)cn3)CC2)cc1 ZINC000179052750 971525935 /nfs/dbraw/zinc/52/59/35/971525935.db2.gz HGJDKSZGZNRFMI-UHFFFAOYSA-N 0 0 368.481 2.917 20 10 FFCDRN Cc1cc(C(=O)CN2CCN(C[C@@H](C)O)CC2)c(C)n1-c1ccccc1C ZINC000189366542 971582954 /nfs/dbraw/zinc/58/29/54/971582954.db2.gz UWLSJVANZOZZOK-GOSISDBHSA-N 0 0 369.509 2.584 20 10 FFCDRN CC(=O)C(=O)COC(=O)C[C@@H]1CN(C(=O)OC(C)(C)C)c2ccccc21 ZINC000924148420 971620195 /nfs/dbraw/zinc/62/01/95/971620195.db2.gz VQWCLMAMTXTYQC-CYBMUJFWSA-N 0 0 361.394 2.617 20 10 FFCDRN COC(=O)CC1(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)CCCC1 ZINC000191798561 971662949 /nfs/dbraw/zinc/66/29/49/971662949.db2.gz XZBZUAFAIZEODT-UHFFFAOYSA-N 0 0 374.481 2.857 20 10 FFCDRN CCO[C@@H]1C[C@](O)(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)C1(C)C ZINC000191794541 971662769 /nfs/dbraw/zinc/66/27/69/971662769.db2.gz SDQWKMVFFSTKFS-UTKZUKDTSA-N 0 0 371.481 2.785 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3ccn(CC(F)F)n3)CC2)cc1 ZINC000193991149 971833516 /nfs/dbraw/zinc/83/35/16/971833516.db2.gz ZCUAKERBAWYRLI-UHFFFAOYSA-N 0 0 364.396 2.556 20 10 FFCDRN Cc1cccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000124010433 972008908 /nfs/dbraw/zinc/00/89/08/972008908.db2.gz ZUZINSYIOGPIBE-UHFFFAOYSA-N 0 0 368.481 2.598 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000890760687 960323624 /nfs/dbraw/zinc/32/36/24/960323624.db2.gz WCDLANCYTWNLQE-OAHLLOKOSA-N 0 0 373.840 2.609 20 10 FFCDRN Cc1nn(C)cc1C[NH2+]Cc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000160280806 960362299 /nfs/dbraw/zinc/36/22/99/960362299.db2.gz OWSKOYFECWGZBL-UHFFFAOYSA-N 0 0 368.403 2.874 20 10 FFCDRN CC(C)CN1C(=O)C[C@]2(CCC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001275956040 1013225496 /nfs/dbraw/zinc/22/54/96/1013225496.db2.gz BPTPEHBTNDXTKX-IBGZPJMESA-N 0 0 366.408 2.668 20 10 FFCDRN CCCCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001275956773 1013228030 /nfs/dbraw/zinc/22/80/30/1013228030.db2.gz MLKJKJAQBTWQEA-IBGZPJMESA-N 0 0 368.424 2.521 20 10 FFCDRN CN(c1cccc(-c2cc[nH]n2)c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001174508910 1013245056 /nfs/dbraw/zinc/24/50/56/1013245056.db2.gz UEPDNBXGYWZBJQ-UHFFFAOYSA-N 0 0 356.451 2.668 20 10 FFCDRN C[C@@H](NC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000773390154 1013266690 /nfs/dbraw/zinc/26/66/90/1013266690.db2.gz JFNKVAQDQMZCBF-CRAIPNDOSA-N 0 0 372.513 2.904 20 10 FFCDRN O=C1CSc2ncnc(N3CC=C(c4c[nH]c5ncccc45)CC3)c2N1 ZINC000683745088 962030291 /nfs/dbraw/zinc/03/02/91/962030291.db2.gz GZRIORMFWDSSKB-UHFFFAOYSA-N 0 0 364.434 2.691 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](COC)[C@@H]1CCCOC1 ZINC000891185363 962191628 /nfs/dbraw/zinc/19/16/28/962191628.db2.gz SUKFJFLOASPGID-IEBWSBKVSA-N 0 0 363.502 2.726 20 10 FFCDRN COc1ccc(C[NH2+][C@H](C)C(=O)N2CCCC[C@H]2C)cc1Cn1cccn1 ZINC000873035477 1013356882 /nfs/dbraw/zinc/35/68/82/1013356882.db2.gz KKKDDNNZRUMQAV-IAGOWNOFSA-N 0 0 370.497 2.819 20 10 FFCDRN Cc1cc(C(=O)OCC(=O)NC[C@@H]2CCCO2)c(C)n1-c1ccccc1C ZINC000011312613 1013363711 /nfs/dbraw/zinc/36/37/11/1013363711.db2.gz MARQUDWOQITFOC-KRWDZBQOSA-N 0 0 370.449 2.855 20 10 FFCDRN C[NH+]1CCN(c2ccc(CNc3cncc(Br)n3)cc2)CC1 ZINC001167431228 963090001 /nfs/dbraw/zinc/09/00/01/963090001.db2.gz NFUWSSWVIFZFQA-UHFFFAOYSA-N 0 0 362.275 2.603 20 10 FFCDRN COC(C)(C)CN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(F)c1[O-] ZINC001276085379 1013430800 /nfs/dbraw/zinc/43/08/00/1013430800.db2.gz HHYSHVBYPMOBCH-HZPDHXFCSA-N 0 0 350.434 2.522 20 10 FFCDRN COC(C)(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1[O-] ZINC001276085450 1013431891 /nfs/dbraw/zinc/43/18/91/1013431891.db2.gz JKPCZGZFJOHDCS-HXUWFJFHSA-N 0 0 364.461 2.913 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(CN2CCCC2=O)c1 ZINC000588406347 963621338 /nfs/dbraw/zinc/62/13/38/963621338.db2.gz UGELVTGBEOSRGE-CLFYSBASSA-N 0 0 366.417 2.550 20 10 FFCDRN C[C@H](NC(=O)N1CCOC[C@@H]1C[C@H]1CCCO1)c1ccc(N(C)C)cc1 ZINC000894286516 964208175 /nfs/dbraw/zinc/20/81/75/964208175.db2.gz OSJHBFFIUJGKJK-ZYSHUDEJSA-N 0 0 361.486 2.793 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000077768671 964211314 /nfs/dbraw/zinc/21/13/14/964211314.db2.gz QMZCWQUIRRHNQZ-UHFFFAOYSA-N 0 0 350.422 2.797 20 10 FFCDRN CC(C)(C)n1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000098093993 1013478040 /nfs/dbraw/zinc/47/80/40/1013478040.db2.gz GFVXQTPFFWTQGN-UHFFFAOYSA-N 0 0 370.497 2.777 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1ccc2ncccc2c1 ZINC000157455574 964311154 /nfs/dbraw/zinc/31/11/54/964311154.db2.gz OCYJREXHHKGGPN-UHFFFAOYSA-N 0 0 372.428 2.866 20 10 FFCDRN O=C(Cn1nc2cnccn2c1=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588428857 964414195 /nfs/dbraw/zinc/41/41/95/964414195.db2.gz LQXSGQJDPAXJOZ-UHFFFAOYSA-N 0 0 373.376 2.945 20 10 FFCDRN COc1ccc(N2CCN(Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1 ZINC000051230395 964425323 /nfs/dbraw/zinc/42/53/23/964425323.db2.gz IBXJHGHYNSHZDR-UHFFFAOYSA-N 0 0 357.410 2.934 20 10 FFCDRN CS(=O)(=O)Nc1ccc2cc(N(CCO)c3ccc(N)cc3)ccc2c1 ZINC001175533617 1013501677 /nfs/dbraw/zinc/50/16/77/1013501677.db2.gz ZLZAKDNLFXCSAE-UHFFFAOYSA-N 0 0 371.462 2.924 20 10 FFCDRN CC(=O)c1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n(C)c1 ZINC000176142030 965315358 /nfs/dbraw/zinc/31/53/58/965315358.db2.gz DIDMSGHIUGGDRC-QGZVFWFLSA-N 0 0 356.422 2.755 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c(F)c1 ZINC000894597920 965510352 /nfs/dbraw/zinc/51/03/52/965510352.db2.gz RMTZBNKDIMMISP-UHFFFAOYSA-N 0 0 369.440 2.766 20 10 FFCDRN O=C(NCC(F)(F)CO)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588478810 965629993 /nfs/dbraw/zinc/62/99/93/965629993.db2.gz PTRSWTBZUSXPCV-UHFFFAOYSA-N 0 0 362.336 2.784 20 10 FFCDRN CCOC(=O)C1(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000843758340 965644269 /nfs/dbraw/zinc/64/42/69/965644269.db2.gz OPIPCLBBTXHLDM-UHFFFAOYSA-N 0 0 374.481 2.605 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)C(=O)Nc3csc(C)c3)CC2)cc1 ZINC000873703314 1013600150 /nfs/dbraw/zinc/60/01/50/1013600150.db2.gz XXXUARWAKMUQMZ-UHFFFAOYSA-N 0 0 373.478 2.789 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000873693557 1013595913 /nfs/dbraw/zinc/59/59/13/1013595913.db2.gz QADTUWGFYCEANK-AWEZNQCLSA-N 0 0 373.478 2.709 20 10 FFCDRN COc1ccccc1[C@H]1CN(C(=O)NCCc2ccc(N)cc2)CCO1 ZINC000892039447 965866852 /nfs/dbraw/zinc/86/68/52/965866852.db2.gz UKQFOVFGUUEBHN-LJQANCHMSA-N 0 0 355.438 2.603 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccccc1CO ZINC000161146646 966240608 /nfs/dbraw/zinc/24/06/08/966240608.db2.gz XCPHKHZGKQDAAJ-UHFFFAOYSA-N 0 0 371.506 2.732 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1CC1CCC1 ZINC000873821520 1013649805 /nfs/dbraw/zinc/64/98/05/1013649805.db2.gz MJDMQFHXGDOBAY-UHFFFAOYSA-N 0 0 370.453 2.766 20 10 FFCDRN COCc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773580802 1013717081 /nfs/dbraw/zinc/71/70/81/1013717081.db2.gz OQQHDWBFMUVOPF-CQSZACIVSA-N 0 0 355.438 2.715 20 10 FFCDRN C[C@@H](NC(=O)NCC1(C2(O)CCC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000892333070 967418297 /nfs/dbraw/zinc/41/82/97/967418297.db2.gz FAQHWSRKZWUGJF-MRXNPFEDSA-N 0 0 373.497 2.579 20 10 FFCDRN COC(=O)CCNC(=O)c1ccc(NCc2cc(C)cc(OC)c2O)cc1 ZINC000895088762 967511931 /nfs/dbraw/zinc/51/19/31/967511931.db2.gz OLCBRCVHQFKOAW-UHFFFAOYSA-N 0 0 372.421 2.614 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000934940494 967536886 /nfs/dbraw/zinc/53/68/86/967536886.db2.gz NNYDFVAXBWGSKA-RHSMWYFYSA-N 0 0 368.433 2.627 20 10 FFCDRN CC[C@]1(C)Oc2ccc(NC(=O)C(=O)N3Cc4cccc(O)c4C3)cc2O1 ZINC000874100058 1013759074 /nfs/dbraw/zinc/75/90/74/1013759074.db2.gz HWNRJFHZLPAJJI-HXUWFJFHSA-N 0 0 368.389 2.771 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2=O)c1 ZINC000729534676 968172699 /nfs/dbraw/zinc/17/26/99/968172699.db2.gz AWCPWHHUMXZFNG-BLLLJJGKSA-N 0 0 372.396 2.770 20 10 FFCDRN COCCOc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2O)c(C)c1 ZINC000874190754 1013783603 /nfs/dbraw/zinc/78/36/03/1013783603.db2.gz IUVANTKKBUBVSY-CQSZACIVSA-N 0 0 372.421 2.542 20 10 FFCDRN COCCOc1cc(C)ccc1NC(=O)C(=O)N[C@H](C)c1ccccc1O ZINC000874191586 1013784207 /nfs/dbraw/zinc/78/42/07/1013784207.db2.gz VPCNHRQWAODHFY-CQSZACIVSA-N 0 0 372.421 2.542 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC000874231621 1013797357 /nfs/dbraw/zinc/79/73/57/1013797357.db2.gz MBIOSPPSYWYGTB-IBGZPJMESA-N 0 0 369.465 2.885 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNc3cc(C(F)F)ncn3)cc2)CC1 ZINC000895218733 968504363 /nfs/dbraw/zinc/50/43/63/968504363.db2.gz NAPMCCABVCRQQS-UHFFFAOYSA-N 0 0 361.396 2.728 20 10 FFCDRN Cc1cccn2c(=O)c(C(=O)NCc3ccc(N4CCCC4)cc3)cnc12 ZINC000179745201 969041915 /nfs/dbraw/zinc/04/19/15/969041915.db2.gz IAHDZLIVLPTBFO-UHFFFAOYSA-N 0 0 362.433 2.533 20 10 FFCDRN COC(=O)c1cccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)c1 ZINC000177272053 969154273 /nfs/dbraw/zinc/15/42/73/969154273.db2.gz FDQFYDFZLRWDOT-UHFFFAOYSA-N 0 0 372.396 2.583 20 10 FFCDRN C[C@H](NC(=O)N1CCC(NC(=O)C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000773615640 1013854953 /nfs/dbraw/zinc/85/49/53/1013854953.db2.gz FSBAZZVTNZDKQE-AWEZNQCLSA-N 0 0 358.486 2.514 20 10 FFCDRN COc1ccc(C[NH2+]Cc2ccc(OC)c(OC)c2OC)c(O)c1OC ZINC000892616446 969609246 /nfs/dbraw/zinc/60/92/46/969609246.db2.gz MREUCDXHUWKIAK-UHFFFAOYSA-N 0 0 363.410 2.725 20 10 FFCDRN Cc1c(C(=O)NCc2ccc(N(C)C)cc2C)cnn1C1CCOCC1 ZINC000162994119 969687552 /nfs/dbraw/zinc/68/75/52/969687552.db2.gz HGZJOBBBUJZKBX-UHFFFAOYSA-N 0 0 356.470 2.847 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@@H]1c1ccccc1 ZINC000725867101 970145490 /nfs/dbraw/zinc/14/54/90/970145490.db2.gz UYCSNFVNBVBUHG-WOJBJXKFSA-N 0 0 351.450 2.879 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(OC(F)(F)F)c1 ZINC000122357445 970368799 /nfs/dbraw/zinc/36/87/99/970368799.db2.gz RGAONRUOIPIHMH-UHFFFAOYSA-N 0 0 368.311 2.888 20 10 FFCDRN COCc1nccc(N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1 ZINC000892973223 970455408 /nfs/dbraw/zinc/45/54/08/970455408.db2.gz OLAARVXVKWDIRE-SFHVURJKSA-N 0 0 356.470 2.875 20 10 FFCDRN Cc1nc2ccnn2cc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000825776564 1014003479 /nfs/dbraw/zinc/00/34/79/1014003479.db2.gz INJBUDPZYDZOQE-MRXNPFEDSA-N 0 0 366.421 2.565 20 10 FFCDRN O=C(c1cc2n(n1)CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000825776640 1014003511 /nfs/dbraw/zinc/00/35/11/1014003511.db2.gz 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Cc1cccnc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000729621896 981178543 /nfs/dbraw/zinc/17/85/43/981178543.db2.gz JIHBDJBUKGHZJF-KRWDZBQOSA-N 0 0 355.438 2.986 20 10 FFCDRN Cc1cc(C)n([C@H](C)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000179124141 981180393 /nfs/dbraw/zinc/18/03/93/981180393.db2.gz FZXRZNCRFZDBOG-SJLPKXTDSA-N 0 0 357.454 2.974 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)N[C@@H](C)c1ccccc1 ZINC000907273088 981218574 /nfs/dbraw/zinc/21/85/74/981218574.db2.gz KUBUDJNCHKIYFJ-CABCVRRESA-N 0 0 370.449 2.803 20 10 FFCDRN COc1ccc(O)c(CNc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 ZINC000877775703 1014722808 /nfs/dbraw/zinc/72/28/08/1014722808.db2.gz ZIMRASGTKUSEJF-UHFFFAOYSA-N 0 0 355.438 2.681 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C[C@H](CC)C(C)C)cc2=O ZINC000729758891 981641633 /nfs/dbraw/zinc/64/16/33/981641633.db2.gz AOOXOQHGMKRTSS-LBPRGKRZSA-N 0 0 363.414 2.727 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(CN2CCOCC2)cc1 ZINC000043864120 981749635 /nfs/dbraw/zinc/74/96/35/981749635.db2.gz 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COc1cc[nH]c(=O)c1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001185109180 1002821698 /nfs/dbraw/zinc/82/16/98/1002821698.db2.gz LRKYGVHOTQWSDJ-UHFFFAOYSA-N 0 0 359.769 2.633 20 10 FFCDRN COc1cc(NC(=O)NCc2cccc(OC)c2O)cc(-n2cccn2)c1 ZINC000791969455 1002857392 /nfs/dbraw/zinc/85/73/92/1002857392.db2.gz NNAMNMOXIOHVEN-UHFFFAOYSA-N 0 0 368.393 2.917 20 10 FFCDRN Cc1ccnc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1 ZINC000792112478 1002909127 /nfs/dbraw/zinc/90/91/27/1002909127.db2.gz XDSFZYAKAABMHY-SFHVURJKSA-N 0 0 354.454 2.672 20 10 FFCDRN C[C@@H]1c2nncn2CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000792186179 1002937683 /nfs/dbraw/zinc/93/76/83/1002937683.db2.gz IIGWSONRZVYMQU-CQSZACIVSA-N 0 0 356.430 2.753 20 10 FFCDRN Cc1cccc(CCNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000792236848 1002950409 /nfs/dbraw/zinc/95/04/09/1002950409.db2.gz UADIUEAEADPLPD-UHFFFAOYSA-N 0 0 368.481 2.611 20 10 FFCDRN CN(CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)CC(F)F ZINC000103489638 1003046907 /nfs/dbraw/zinc/04/69/07/1003046907.db2.gz 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CC(C)(C)OC(=O)NC1(C(=O)N2CCc3cccc(O)c3C2)CC(F)C1 ZINC001186905298 1003484992 /nfs/dbraw/zinc/48/49/92/1003484992.db2.gz ZOIOGOUPVUFFTH-UHFFFAOYSA-N 0 0 364.417 2.672 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COC(=O)C3=CCCCCC3)CC2)cc1 ZINC000775064933 1003497429 /nfs/dbraw/zinc/49/74/29/1003497429.db2.gz OKTQDIXFGJSBHE-UHFFFAOYSA-N 0 0 372.465 2.778 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccoc2C)cc1F ZINC000793914156 1003526121 /nfs/dbraw/zinc/52/61/21/1003526121.db2.gz NFNNQIJFZBQMKF-UHFFFAOYSA-N 0 0 361.417 2.506 20 10 FFCDRN COc1ccc(CNC(=O)c2cccc(Oc3cnccn3)c2)c(O)c1 ZINC000794376670 1003619337 /nfs/dbraw/zinc/61/93/37/1003619337.db2.gz ICCYDQZESWAIAX-UHFFFAOYSA-N 0 0 351.362 2.913 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(S[C@@H]3CCOC3=O)cc2)c(O)c1 ZINC000794378870 1003620963 /nfs/dbraw/zinc/62/09/63/1003620963.db2.gz FWFSLDSCZQIIMX-QGZVFWFLSA-N 0 0 373.430 2.738 20 10 FFCDRN COCc1nnc(-c2cccc(C(=O)NCc3ccc(OC)cc3O)c2)o1 ZINC000794391637 1003624488 /nfs/dbraw/zinc/62/44/88/1003624488.db2.gz 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CCOC(=O)c1cc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)on1 ZINC000871351114 1012877053 /nfs/dbraw/zinc/87/70/53/1012877053.db2.gz LAHWKUTYQBJPNJ-UHFFFAOYSA-N 0 0 368.393 2.584 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000924026584 1017096711 /nfs/dbraw/zinc/09/67/11/1017096711.db2.gz ALTOTEWGPUYPSS-DBVUQKKJSA-N 0 0 352.434 2.750 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC[C@H]1CC(=O)N(C)C1 ZINC000924725711 1017450245 /nfs/dbraw/zinc/45/02/45/1017450245.db2.gz GWOYEQQWNWKUGF-SFHVURJKSA-N 0 0 372.513 2.687 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccccc3N)cc2F)C[C@@H](C)O1 ZINC000827365736 1017782803 /nfs/dbraw/zinc/78/28/03/1017782803.db2.gz WORFSVXGDKJOED-HUUCEWRRSA-N 0 0 371.456 2.880 20 10 FFCDRN Cc1cc(C(=O)CN2CCC3(CC2)OCCO3)c(C)n1-c1ccc(F)cn1 ZINC000827411332 1017943416 /nfs/dbraw/zinc/94/34/16/1017943416.db2.gz RHEIVEHPSZOJDR-UHFFFAOYSA-N 0 0 373.428 2.650 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2cc(C(F)(F)F)nn2C)cc1 ZINC000926551607 1018155223 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O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCC=CO1 ZINC000777849692 1019742281 /nfs/dbraw/zinc/74/22/81/1019742281.db2.gz YOVOTYZQMKMLQX-MRXNPFEDSA-N 0 0 370.371 2.851 20 10 FFCDRN CCn1cc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)nn1 ZINC000929950205 1019762255 /nfs/dbraw/zinc/76/22/55/1019762255.db2.gz GLJIOPNAGIZZCR-UHFFFAOYSA-N 0 0 353.426 2.800 20 10 FFCDRN Cn1cc(C2=NC[C@H](CN(Cc3ccco3)Cc3ccccc3O)O2)cn1 ZINC000929969639 1019781749 /nfs/dbraw/zinc/78/17/49/1019781749.db2.gz PBKSOVUNMBMGIH-GOSISDBHSA-N 0 0 366.421 2.567 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1C[C@@]12C(=O)Nc1ccccc12 ZINC000930206209 1019921728 /nfs/dbraw/zinc/92/17/28/1019921728.db2.gz SLNLJEQUYMYQCF-GCJKJVERSA-N 0 0 361.445 2.813 20 10 FFCDRN Cc1occc(=O)c1OCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000930295384 1019966640 /nfs/dbraw/zinc/96/66/40/1019966640.db2.gz FDWSTMZARYFPDB-UHFFFAOYSA-N 0 0 358.438 2.830 20 10 FFCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000930321726 1019978741 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CN1CCCc2cc(CNC(=O)NC3CCN(CC(F)F)CC3)ccc21 ZINC000726250501 1020443606 /nfs/dbraw/zinc/44/36/06/1020443606.db2.gz XJZFSVUVRAIHFF-UHFFFAOYSA-N 0 0 366.456 2.598 20 10 FFCDRN CCCn1cc([C@@H](C)NCc2ccc(N3CCC(CO)CC3)cc2)nn1 ZINC000902761867 1020458101 /nfs/dbraw/zinc/45/81/01/1020458101.db2.gz BDDNWBYBQMDMCZ-MRXNPFEDSA-N 0 0 357.502 2.748 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cccc(F)c2F)cc1 ZINC000726677532 1020506488 /nfs/dbraw/zinc/50/64/88/1020506488.db2.gz PSKFVMHKCLUBGD-UHFFFAOYSA-N 0 0 362.376 2.846 20 10 FFCDRN Cc1cc(C(=O)CN2CCCNC(=O)C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000726790385 1020526102 /nfs/dbraw/zinc/52/61/02/1020526102.db2.gz GATLIWGZIJMCQF-UHFFFAOYSA-N 0 0 353.466 2.716 20 10 FFCDRN COc1ccc(-c2cn(Cc3ccc(N4CCOCC4)cc3)nn2)cc1 ZINC000900599848 1020537331 /nfs/dbraw/zinc/53/73/31/1020537331.db2.gz CIZFXCPXONZHSE-UHFFFAOYSA-N 0 0 350.422 2.839 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC000902908478 1020560205 /nfs/dbraw/zinc/56/02/05/1020560205.db2.gz OQLYDEPHYHNQQU-XUTJKUGGSA-N 0 0 353.466 2.645 20 10 FFCDRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1O ZINC000727006012 1020570255 /nfs/dbraw/zinc/57/02/55/1020570255.db2.gz ZOMHRIHICAYXLO-OLZOCXBDSA-N 0 0 373.405 2.838 20 10 FFCDRN O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000800900601 1020633903 /nfs/dbraw/zinc/63/39/03/1020633903.db2.gz IHSURNIBDSDJHM-QGZVFWFLSA-N 0 0 369.421 2.624 20 10 FFCDRN CN(c1ccc(CNC(=O)N2C[C@@H]3COC[C@H](C2)O3)cc1)C1CCCCC1 ZINC000801002407 1020696759 /nfs/dbraw/zinc/69/67/59/1020696759.db2.gz JDKAHHWXRFZPBJ-BGYRXZFFSA-N 0 0 373.497 2.765 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903400405 1020823322 /nfs/dbraw/zinc/82/33/22/1020823322.db2.gz UPJZZWSPKGPNMT-GHMZBOCLSA-N 0 0 368.359 2.836 20 10 FFCDRN CC[C@@H](CCO)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000074414417 1020863986 /nfs/dbraw/zinc/86/39/86/1020863986.db2.gz UEJFOUNFQBNNRA-KBPBESRZSA-N 0 0 371.428 2.717 20 10 FFCDRN 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/nfs/dbraw/zinc/73/97/69/1024739769.db2.gz ZIFJPQYJNGPDKD-UHFFFAOYSA-N 0 0 373.428 2.775 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCC(=O)NC1CC1 ZINC000194120578 1024745491 /nfs/dbraw/zinc/74/54/91/1024745491.db2.gz LWJCFOFUJGVZHU-UHFFFAOYSA-N 0 0 372.513 2.877 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)cc1 ZINC000195535673 1025030886 /nfs/dbraw/zinc/03/08/86/1025030886.db2.gz VZONHJXAQHUYFD-FUHIMQAGSA-N 0 0 359.514 2.758 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)cc1F ZINC000084866188 1025151284 /nfs/dbraw/zinc/15/12/84/1025151284.db2.gz KGUUFZZGHGEMCN-UHFFFAOYSA-N 0 0 369.440 2.546 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N(C)Cc2cnc(N(C)C)nc2)cc1 ZINC000779981421 1025325643 /nfs/dbraw/zinc/32/56/43/1025325643.db2.gz OVOIXNPFSJLGMM-UHFFFAOYSA-N 0 0 370.501 2.730 20 10 FFCDRN COc1ccc(N2CCOC[C@]3(CCCN(Cc4cocn4)C3)C2)cc1 ZINC001141128565 1025489945 /nfs/dbraw/zinc/48/99/45/1025489945.db2.gz QNUVYSBVFAWCEG-FQEVSTJZSA-N 0 0 357.454 2.802 20 10 FFCDRN c1nc(CN2CCN(c3ccc(OCc4cccnc4)cc3)CC2)co1 ZINC001141131854 1025495472 /nfs/dbraw/zinc/49/54/72/1025495472.db2.gz MOXAMOOWFVDHSV-UHFFFAOYSA-N 0 0 350.422 2.971 20 10 FFCDRN CN1CCOc2cc(CN3CCO[C@H]4[C@H](OCC5CC5)CC[C@@H]43)ccc21 ZINC001141140258 1025507159 /nfs/dbraw/zinc/50/71/59/1025507159.db2.gz CQWXWXODJVRIMP-QKNQBKEWSA-N 0 0 358.482 2.674 20 10 FFCDRN Nc1ccc(CNC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 ZINC000837303351 1025713384 /nfs/dbraw/zinc/71/33/84/1025713384.db2.gz IMMAZAJSGKZPEL-DHZHZOJOSA-N 0 0 363.461 2.837 20 10 FFCDRN C[C@@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000837358699 1025745998 /nfs/dbraw/zinc/74/59/98/1025745998.db2.gz WOXJNUQREPUDAW-JSGCOSHPSA-N 0 0 371.403 2.593 20 10 FFCDRN Cc1cc(C(=O)COC(=O)C2CCOCC2)c(C)n1-c1ccc(F)cn1 ZINC000837386775 1025764996 /nfs/dbraw/zinc/76/49/96/1025764996.db2.gz QCNOQTRMIXHOQR-UHFFFAOYSA-N 0 0 360.385 2.781 20 10 FFCDRN Cc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(C)n1 ZINC000837706740 1025973348 /nfs/dbraw/zinc/97/33/48/1025973348.db2.gz FJVKFXGCPAUVSZ-UHFFFAOYSA-N 0 0 361.392 2.743 20 10 FFCDRN O=C(/C=C\c1cccc(O)c1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709535 1025975857 /nfs/dbraw/zinc/97/58/57/1025975857.db2.gz ZLIISRODBLVVTD-PLNGDYQASA-N 0 0 374.387 2.837 20 10 FFCDRN CCc1nc(C)c(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)o1 ZINC000837714207 1025979135 /nfs/dbraw/zinc/97/91/35/1025979135.db2.gz IRJOMSFYQRWWPD-UHFFFAOYSA-N 0 0 365.380 2.590 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3CC[C@H](OC)[C@H](C)C3)CC2)cc1 ZINC000838191366 1026251226 /nfs/dbraw/zinc/25/12/26/1026251226.db2.gz UPRBZQFWXOCONV-BEFAXECRSA-N 0 0 361.486 2.730 20 10 FFCDRN Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001141430292 1026284135 /nfs/dbraw/zinc/28/41/35/1026284135.db2.gz UHYMEETWZPNGNV-UHFFFAOYSA-N 0 0 353.382 2.834 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000838487155 1026384349 /nfs/dbraw/zinc/38/43/49/1026384349.db2.gz XZPVMHLBJXQYCG-GDBMZVCRSA-N 0 0 369.387 2.518 20 10 FFCDRN CCN1C[C@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)CC1=O ZINC000838672010 1026461734 /nfs/dbraw/zinc/46/17/34/1026461734.db2.gz BEHZNHSYGJNXSB-MRXNPFEDSA-N 0 0 359.470 2.857 20 10 FFCDRN Cc1cccnc1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838745233 1026488901 /nfs/dbraw/zinc/48/89/01/1026488901.db2.gz UNNAWQMATYGAGC-UHFFFAOYSA-N 0 0 362.380 2.827 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nc(C(F)(F)F)co1 ZINC000839133637 1026597663 /nfs/dbraw/zinc/59/76/63/1026597663.db2.gz XPHQHLMROXFJLJ-UHFFFAOYSA-N 0 0 370.331 2.852 20 10 FFCDRN C[C@H](CN(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000839221324 1026623650 /nfs/dbraw/zinc/62/36/50/1026623650.db2.gz ZEMLCMJFFHERTO-QGZVFWFLSA-N 0 0 367.493 2.973 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)N2C[C@@H]3CCCC[C@@H]3C2)C2CC2)cc1 ZINC000839236327 1026628852 /nfs/dbraw/zinc/62/88/52/1026628852.db2.gz RAVMJSYNWIIDMC-HDICACEKSA-N 0 0 369.509 2.892 20 10 FFCDRN COc1ccc2c(c1NC(=O)C(=O)NCc1ccc(N(C)C)cc1)CCC2 ZINC000839457652 1026683723 /nfs/dbraw/zinc/68/37/23/1026683723.db2.gz WDLVIIUGMWHCHK-UHFFFAOYSA-N 0 0 367.449 2.505 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@@H](C(=O)N(C)C)C2)c(C)n1-c1ccc(F)cc1 ZINC000839635252 1026768932 /nfs/dbraw/zinc/76/89/32/1026768932.db2.gz FNMOHYPTSMNEKW-MRXNPFEDSA-N 0 0 371.456 2.826 20 10 FFCDRN COc1cc2c(c(OC)c1)N(Cc1cc(=O)n3cc(C)ccc3n1)CCC2 ZINC000839654904 1026777701 /nfs/dbraw/zinc/77/77/01/1026777701.db2.gz BZPYALFEGLUCNM-UHFFFAOYSA-N 0 0 365.433 2.973 20 10 FFCDRN CC(C)c1n[nH]cc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000839799273 1026831664 /nfs/dbraw/zinc/83/16/64/1026831664.db2.gz LCMZITJQVYXBBI-UHFFFAOYSA-N 0 0 364.396 2.578 20 10 FFCDRN COC(=O)c1cc(OC)cc(OC)c1CN1CCc2cccc(O)c2C1 ZINC001141707615 1026845622 /nfs/dbraw/zinc/84/56/22/1026845622.db2.gz ZOZBWIHCYVPRJQ-UHFFFAOYSA-N 0 0 357.406 2.754 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)NC(=O)C1CCCC1 ZINC000839915118 1026864028 /nfs/dbraw/zinc/86/40/28/1026864028.db2.gz CRYGZOWEJWKZKP-HZPDHXFCSA-N 0 0 359.514 2.803 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000839916275 1026864109 /nfs/dbraw/zinc/86/41/09/1026864109.db2.gz QVFZKIHUVVFBOC-CQSZACIVSA-N 0 0 367.449 2.753 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000839921569 1026866459 /nfs/dbraw/zinc/86/64/59/1026866459.db2.gz LJSMRAKAQVQKDT-GFCCVEGCSA-N 0 0 374.872 2.569 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC000839922605 1026867217 /nfs/dbraw/zinc/86/72/17/1026867217.db2.gz WODAZNVWEOTLSK-AWEZNQCLSA-N 0 0 366.469 2.546 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc2c1NC(=O)CO2 ZINC000640743664 1026921057 /nfs/dbraw/zinc/92/10/57/1026921057.db2.gz GLLDRIFZMVXUDF-UHFFFAOYSA-N 0 0 368.393 2.514 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2C[C@H](O)C[C@H]2c2ccccc2)cc1F ZINC000840279955 1027031112 /nfs/dbraw/zinc/03/11/12/1027031112.db2.gz CZPCERNLJNBMSD-APWZRJJASA-N 0 0 357.429 2.909 20 10 FFCDRN CCNC(=O)C1(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC000840356235 1027058291 /nfs/dbraw/zinc/05/82/91/1027058291.db2.gz FHYMTMSZJQVVMZ-MRXNPFEDSA-N 0 0 374.529 2.598 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCCc2c(cnn2C)C1 ZINC000840481066 1027089447 /nfs/dbraw/zinc/08/94/47/1027089447.db2.gz BIZWAXLVERKFEV-MRXNPFEDSA-N 0 0 369.513 2.884 20 10 FFCDRN CC(=O)N[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CCCC1 ZINC000840556055 1027112131 /nfs/dbraw/zinc/11/21/31/1027112131.db2.gz KPKVTSYYXKQAME-QRWLVFNGSA-N 0 0 359.514 2.803 20 10 FFCDRN Cc1cc(C(=O)N(C[C@H]2CCC(=O)N2)C(C)C)c(C)n1-c1ccccn1 ZINC000840559334 1027114954 /nfs/dbraw/zinc/11/49/54/1027114954.db2.gz SCEYWTKEIDIIEZ-MRXNPFEDSA-N 0 0 354.454 2.618 20 10 FFCDRN COc1ccc(-c2cc(NCC(=O)c3ccc(O)c(O)c3)ncn2)cc1 ZINC001159280444 1027335204 /nfs/dbraw/zinc/33/52/04/1027335204.db2.gz RBMTVFNJGFYGJJ-UHFFFAOYSA-N 0 0 351.362 2.858 20 10 FFCDRN COc1ccc(-n2nc(C(=O)NCCc3ccc(O)c(O)c3)cc2C)cc1 ZINC000092515474 1027352272 /nfs/dbraw/zinc/35/22/72/1027352272.db2.gz OUAFEQZIYKYAGU-UHFFFAOYSA-N 0 0 367.405 2.573 20 10 FFCDRN CC(=O)N/C(=C\C1=S=CC=C1)C(=O)Nc1ccc(-c2ncco2)cc1C ZINC001159456437 1027398845 /nfs/dbraw/zinc/39/88/45/1027398845.db2.gz QUYDWTRNPHUROL-BOPFTXTBSA-N 0 0 367.430 2.886 20 10 FFCDRN O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1NCc1cc(Br)ccc1O ZINC001160019627 1027564270 /nfs/dbraw/zinc/56/42/70/1027564270.db2.gz OSVSEOQNOBGSLY-UHFFFAOYSA-N 0 0 374.578 2.962 20 10 FFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1c[nH]c2nccnc12 ZINC001153201584 1027796733 /nfs/dbraw/zinc/79/67/33/1027796733.db2.gz TVSSAONOXVPVAG-UHFFFAOYSA-N 0 0 353.769 2.747 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H]1Cn1cnc2ccccc21 ZINC001153531373 1027919556 /nfs/dbraw/zinc/91/95/56/1027919556.db2.gz WRULVEWNHVBOAZ-OAHLLOKOSA-N 0 0 351.406 2.681 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1COc2ccc(Br)cc21 ZINC001153885136 1028045312 /nfs/dbraw/zinc/04/53/12/1028045312.db2.gz LIYQRJKARKKZRJ-CYBMUJFWSA-N 0 0 364.195 2.653 20 10 FFCDRN Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)C(=O)NCc1cc(O)ccc1O ZINC001153886152 1028046555 /nfs/dbraw/zinc/04/65/55/1028046555.db2.gz YLLGWGYWMNQWOO-SECBINFHSA-N 0 0 371.359 2.893 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(-c2cccc(O)c2)on1 ZINC001154024761 1028115393 /nfs/dbraw/zinc/11/53/93/1028115393.db2.gz CTNMYQWFHBUISU-NSHDSACASA-N 0 0 354.362 2.819 20 10 FFCDRN COC(=O)c1cccc2c1n[nH]c2C(=O)NCc1c(C)cc(C)cc1O ZINC001154148920 1028165722 /nfs/dbraw/zinc/16/57/22/1028165722.db2.gz FKRJFEGQKKWFQU-UHFFFAOYSA-N 0 0 353.378 2.602 20 10 FFCDRN CCN(Cc1ccccc1O)c1ccc(S(=O)(=O)N(CC)CC)cn1 ZINC001154890929 1028500482 /nfs/dbraw/zinc/50/04/82/1028500482.db2.gz WNUXDQXNDBCKMP-UHFFFAOYSA-N 0 0 363.483 2.844 20 10 FFCDRN CCOC(=O)[C@H]1CCc2nnc(N(CC)Cc3ccccc3O)cc2C1 ZINC001154890952 1028501298 /nfs/dbraw/zinc/50/12/98/1028501298.db2.gz XLPZMRPUQSPSNT-AWEZNQCLSA-N 0 0 355.438 2.877 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C(=C/c1ccccc1)OC ZINC001162539847 1028573597 /nfs/dbraw/zinc/57/35/97/1028573597.db2.gz NLTBZKJWWMASTE-UYRXBGFRSA-N 0 0 369.417 2.971 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)NCc2ccccc2O)CC1 ZINC000780363621 1028677775 /nfs/dbraw/zinc/67/77/75/1028677775.db2.gz RGNKQPHATRYMMG-OAHLLOKOSA-N 0 0 363.458 2.981 20 10 FFCDRN C[C@H](CC(N)=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001155726452 1028874776 /nfs/dbraw/zinc/87/47/76/1028874776.db2.gz HMGVPSBYEWSNMX-QWHCGFSZSA-N 0 0 351.878 2.704 20 10 FFCDRN COCCN(CCOc1ccc(F)cc1)C(=O)c1ccc(C)c(O)c1O ZINC000780935469 1028879109 /nfs/dbraw/zinc/87/91/09/1028879109.db2.gz UCQBXHBMRSHUJD-UHFFFAOYSA-N 0 0 363.385 2.713 20 10 FFCDRN Cc1ccc(C(=O)N2C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]2C)c(O)c1O ZINC000781012919 1028936290 /nfs/dbraw/zinc/93/62/90/1028936290.db2.gz HXCCGQZPPDOYSY-CHWSQXEVSA-N 0 0 364.442 2.876 20 10 FFCDRN COC(=O)/C=C/c1cc(C)cnc1N1CCCc2cc(O)c(O)cc2C1 ZINC001155945407 1028985342 /nfs/dbraw/zinc/98/53/42/1028985342.db2.gz UNORNKIDSVRCKX-AATRIKPKSA-N 0 0 354.406 2.940 20 10 FFCDRN CCc1c(C)nc2ncnn2c1N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001163704250 1029032527 /nfs/dbraw/zinc/03/25/27/1029032527.db2.gz ASKVNNIXPCVUSK-CQSZACIVSA-N 0 0 352.442 2.695 20 10 FFCDRN CCN1CCC[C@H](NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O ZINC001156295854 1029131509 /nfs/dbraw/zinc/13/15/09/1029131509.db2.gz CZGTYXHRHOKUSZ-IBGZPJMESA-N 0 0 369.465 2.843 20 10 FFCDRN CCCn1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1 ZINC000781608905 1029302813 /nfs/dbraw/zinc/30/28/13/1029302813.db2.gz PSBZKGSHGTTXJT-HUUCEWRRSA-N 0 0 374.460 2.976 20 10 FFCDRN Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000782108327 1029573247 /nfs/dbraw/zinc/57/32/47/1029573247.db2.gz YLMVCNFPPIXHLQ-UHFFFAOYSA-N 0 0 368.412 2.936 20 10 FFCDRN COc1nc(NCc2cc(Cl)c3cccnc3c2O)ncc1[N+](=O)[O-] ZINC001157724699 1029652087 /nfs/dbraw/zinc/65/20/87/1029652087.db2.gz TWQLRVICXIFDSV-UHFFFAOYSA-N 0 0 361.745 2.913 20 10 FFCDRN Cc1cc(C(=O)COC(=O)C2(C)COC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000782398115 1029685390 /nfs/dbraw/zinc/68/53/90/1029685390.db2.gz GOUDSGWKHDOMDC-UHFFFAOYSA-N 0 0 371.389 2.585 20 10 FFCDRN CN(C)c1cc(NC(=O)Cc2ccc(O)c(O)c2)ncc1Br ZINC001158202567 1029754667 /nfs/dbraw/zinc/75/46/67/1029754667.db2.gz CIYRIUSNJYYDQE-UHFFFAOYSA-N 0 0 366.215 2.503 20 10 FFCDRN COc1ccc(OC)c(C2=NO[C@@H](C(=O)N[C@@H](C)c3ccccc3O)C2)c1 ZINC000827963973 1029814087 /nfs/dbraw/zinc/81/40/87/1029814087.db2.gz FQZNZZSTGNEMNN-HXPMCKFVSA-N 0 0 370.405 2.780 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000840939820 1029933916 /nfs/dbraw/zinc/93/39/16/1029933916.db2.gz RNVOFHOALYQXTL-UHFFFAOYSA-N 0 0 352.438 2.725 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)cc1 ZINC000841012592 1029976425 /nfs/dbraw/zinc/97/64/25/1029976425.db2.gz FCMGBDFKXZDXAP-ZDUSSCGKSA-N 0 0 364.405 2.755 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)cc1 ZINC000841012591 1029976488 /nfs/dbraw/zinc/97/64/88/1029976488.db2.gz FCMGBDFKXZDXAP-CYBMUJFWSA-N 0 0 364.405 2.755 20 10 FFCDRN CCCOc1ccc2c(c1)CCN(C(=O)C(=O)Nc1ccc(N)cc1)C2 ZINC000841073090 1030017963 /nfs/dbraw/zinc/01/79/63/1030017963.db2.gz VUMROZRFFICGQN-UHFFFAOYSA-N 0 0 353.422 2.581 20 10 FFCDRN CC(C)CCOc1ccccc1CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841113553 1030046109 /nfs/dbraw/zinc/04/61/09/1030046109.db2.gz MWRWHKLMKGBFQQ-UHFFFAOYSA-N 0 0 355.438 2.949 20 10 FFCDRN Cc1cc(NC(=O)C(=O)Nc2ccc(N)cc2)cnc1N1CCCC[C@H]1C ZINC000841118754 1030051372 /nfs/dbraw/zinc/05/13/72/1030051372.db2.gz NINOBAWVAMSNML-CQSZACIVSA-N 0 0 367.453 2.928 20 10 FFCDRN Cc1ccc(N2CCOC2=O)cc1NC(=O)NCCc1ccc(N)cc1 ZINC000841132931 1030063072 /nfs/dbraw/zinc/06/30/72/1030063072.db2.gz KQJCPVMROYVXFS-UHFFFAOYSA-N 0 0 354.410 2.898 20 10 FFCDRN CCOC(=O)c1c(NC(=O)C(=O)Nc2ccc(N)cc2)sc2c1CCC2 ZINC000841150184 1030074291 /nfs/dbraw/zinc/07/42/91/1030074291.db2.gz RZRVWACWAHAKAC-UHFFFAOYSA-N 0 0 373.434 2.573 20 10 FFCDRN O=C(COC(=O)c1ccc(-n2cccc2)cc1O)c1ccc(O)c(O)c1 ZINC000783438195 1030095943 /nfs/dbraw/zinc/09/59/43/1030095943.db2.gz AQUGEHIPZKKXCT-UHFFFAOYSA-N 0 0 353.330 2.634 20 10 FFCDRN CC(C)Oc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1C(N)=O ZINC000841227150 1030118922 /nfs/dbraw/zinc/11/89/22/1030118922.db2.gz ZAOTUSSGUWBJRM-UHFFFAOYSA-N 0 0 356.426 2.519 20 10 FFCDRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)Nc3ccc(N)cc3)C2)c1 ZINC000841300101 1030168889 /nfs/dbraw/zinc/16/88/89/1030168889.db2.gz NEVDOCMDKZVQLK-CQSZACIVSA-N 0 0 370.453 2.934 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(N)c1Cl ZINC001142234873 1030202851 /nfs/dbraw/zinc/20/28/51/1030202851.db2.gz GGTNOMMLEUIVHG-UHFFFAOYSA-N 0 0 359.857 2.997 20 10 FFCDRN COc1cccc(CNC(=O)CC2(CNC(=O)OC(C)(C)C)CC2)c1O ZINC000841405097 1030266386 /nfs/dbraw/zinc/26/63/86/1030266386.db2.gz KLHYGYOKIJHEIL-UHFFFAOYSA-N 0 0 364.442 2.712 20 10 FFCDRN C[C@H](NC(=O)[C@H](c1ccccc1)N1CCC(O)CC1)c1ccccc1O ZINC000827969866 1030275217 /nfs/dbraw/zinc/27/52/17/1030275217.db2.gz SZBJAYJUHOKNAC-YWZLYKJASA-N 0 0 354.450 2.767 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc2c1CCNC2=O ZINC000841781776 1030463661 /nfs/dbraw/zinc/46/36/61/1030463661.db2.gz XJMXXBIOIGJRJL-UHFFFAOYSA-N 0 0 352.438 2.669 20 10 FFCDRN COc1ccc(C(C)(C)C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1OC ZINC000784120374 1030475039 /nfs/dbraw/zinc/47/50/39/1030475039.db2.gz DLOATXSHVLUPPM-UHFFFAOYSA-N 0 0 374.389 2.819 20 10 FFCDRN COC(=O)c1cc(OCC(=O)N(C)Cc2ccc(F)cc2)ccc1N(C)C ZINC001166714275 1030491771 /nfs/dbraw/zinc/49/17/71/1030491771.db2.gz QFLZVNLVUYCJOI-UHFFFAOYSA-N 0 0 374.412 2.716 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cccn(C(C)(C)C)c3=O)ccc21 ZINC001142465091 1030491954 /nfs/dbraw/zinc/49/19/54/1030491954.db2.gz BMCRQSQOYVZURB-UHFFFAOYSA-N 0 0 353.466 2.916 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nccc(C)c2C(N)=O)C1 ZINC001166816433 1030531463 /nfs/dbraw/zinc/53/14/63/1030531463.db2.gz XTHZWRQNXAPWSO-UHFFFAOYSA-N 0 0 350.422 2.552 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncnc3c2[C@@H](C)C(=O)N3)C1 ZINC001166818097 1030532678 /nfs/dbraw/zinc/53/26/78/1030532678.db2.gz LRZAJUDXMYMFRT-LLVKDONJSA-N 0 0 363.421 2.595 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCC(CO)(Cc3ccccc3)CC2)cc1 ZINC000841957807 1030558623 /nfs/dbraw/zinc/55/86/23/1030558623.db2.gz DSYMQIWWHSXVOL-UHFFFAOYSA-N 0 0 367.493 2.838 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCC[C@H](Oc3ncccc3F)C2)cc1 ZINC000841957899 1030559102 /nfs/dbraw/zinc/55/91/02/1030559102.db2.gz FLRVMPODZWMNPP-INIZCTEOSA-N 0 0 358.417 2.598 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCC(Oc3ccc(F)nc3)CC2)cc1 ZINC000841958622 1030560525 /nfs/dbraw/zinc/56/05/25/1030560525.db2.gz HETVUNXOFCUNHK-UHFFFAOYSA-N 0 0 358.417 2.598 20 10 FFCDRN O=C1NC[C@@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517769 1030568444 /nfs/dbraw/zinc/56/84/44/1030568444.db2.gz ZGDJXNOFBVRGLJ-YWZLYKJASA-N 0 0 358.388 2.776 20 10 FFCDRN Oc1cc(F)c(F)cc1CN1CCN(c2cccc3c2OCCO3)CC1 ZINC001142524706 1030575704 /nfs/dbraw/zinc/57/57/04/1030575704.db2.gz HONJFKMDWOWHQK-UHFFFAOYSA-N 0 0 362.376 2.764 20 10 FFCDRN Cc1cc(C(=O)CN2CCC3(COC(=O)N3)CC2)c(C)n1-c1ccccc1 ZINC000784465023 1030633535 /nfs/dbraw/zinc/63/35/35/1030633535.db2.gz HUEQAZFSKYTHNS-UHFFFAOYSA-N 0 0 367.449 2.851 20 10 FFCDRN Cc1ccc([C@H]2CCCCN2C(=O)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000842235793 1030651944 /nfs/dbraw/zinc/65/19/44/1030651944.db2.gz JNUSNCXYDKIULY-HXUWFJFHSA-N 0 0 365.477 2.990 20 10 FFCDRN C[C@@H]1C[C@H](c2ccccc2F)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842241523 1030653097 /nfs/dbraw/zinc/65/30/97/1030653097.db2.gz CZACPHWAKAJSMT-AUUYWEPGSA-N 0 0 369.440 2.676 20 10 FFCDRN COC(=O)COc1ccc(N(C)CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000784553198 1030679093 /nfs/dbraw/zinc/67/90/93/1030679093.db2.gz CLWINKDPXOPUNU-UHFFFAOYSA-N 0 0 360.366 2.662 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2csc(-c3cnn(C)c3)n2)cc1 ZINC000784553193 1030679187 /nfs/dbraw/zinc/67/91/87/1030679187.db2.gz CHZREUAUHXLPOB-UHFFFAOYSA-N 0 0 372.450 2.732 20 10 FFCDRN Cn1cnc2c1[C@H](COCc1cccnc1)CN(Cc1ccccc1O)C2 ZINC001203552762 1030765302 /nfs/dbraw/zinc/76/53/02/1030765302.db2.gz SGHRORYQSNVFTL-SFHVURJKSA-N 0 0 364.449 2.837 20 10 FFCDRN COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1cccc(OC)c1O ZINC001203601793 1030780804 /nfs/dbraw/zinc/78/08/04/1030780804.db2.gz LEOGLCUAMVRSMY-MJGOQNOKSA-N 0 0 357.406 2.516 20 10 FFCDRN COc1ccc(CN2CC[C@](F)(CNC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001203634550 1030797778 /nfs/dbraw/zinc/79/77/78/1030797778.db2.gz LMGIKILNVWYYMI-SFHVURJKSA-N 0 0 354.422 2.840 20 10 FFCDRN COCCN1CCOC[C@]2(CCC[N@H+](Cc3cc(Cl)ccc3O)C2)C1 ZINC001203655762 1030803120 /nfs/dbraw/zinc/80/31/20/1030803120.db2.gz CKNZTMQCLXQNHZ-LJQANCHMSA-N 0 0 368.905 2.606 20 10 FFCDRN COc1ccc(O)c(CN2Cc3nn(C)cc3[C@H](COCC3CC3)C2)c1 ZINC001203669514 1030816737 /nfs/dbraw/zinc/81/67/37/1030816737.db2.gz AKPDQBJPTWYTTN-INIZCTEOSA-N 0 0 357.454 2.660 20 10 FFCDRN CCOCC(=O)Nc1ccc(N(C)CCN(C)c2ccc(N)cc2)cc1 ZINC001142829009 1030930799 /nfs/dbraw/zinc/93/07/99/1030930799.db2.gz OYVFKHJYXKSHAT-UHFFFAOYSA-N 0 0 356.470 2.816 20 10 FFCDRN COc1ccc(N2CCN(Cc3ccc(OC)c(O)c3)CC2)c(OC)c1 ZINC001203870536 1030948030 /nfs/dbraw/zinc/94/80/30/1030948030.db2.gz HCRVHKRPHCGJAM-UHFFFAOYSA-N 0 0 358.438 2.740 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)N2CCCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000797038934 1030985222 /nfs/dbraw/zinc/98/52/22/1030985222.db2.gz FYFAPMCUQYOGTB-ZIAGYGMSSA-N 0 0 362.430 2.631 20 10 FFCDRN CCN(CC)c1ccc(CN2Cc3nnn(CC)c3[C@@H](COC)C2)cc1 ZINC001203939928 1030997490 /nfs/dbraw/zinc/99/74/90/1030997490.db2.gz GGQQLJIFXCHCBL-QGZVFWFLSA-N 0 0 357.502 2.890 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H]3CC(=O)N(CC(C)C)C3)C2)cc1 ZINC000842877616 1031010099 /nfs/dbraw/zinc/01/00/99/1031010099.db2.gz GDCKDIVBNBZZMQ-IAGOWNOFSA-N 0 0 374.481 2.569 20 10 FFCDRN CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NCc2ccc(OC)cc2O)c1 ZINC000797389356 1031096592 /nfs/dbraw/zinc/09/65/92/1031096592.db2.gz CRVPDVLMJHEINJ-CYBMUJFWSA-N 0 0 372.421 2.833 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2ccc(C3CCC3)cc2)c(O)c1 ZINC000797390667 1031096758 /nfs/dbraw/zinc/09/67/58/1031096758.db2.gz MJVOMDLYWMVTKC-UHFFFAOYSA-N 0 0 354.406 2.923 20 10 FFCDRN COc1ccc(N2CCN(Cc3cnc4ccc(Cl)nn34)CC2)cc1 ZINC001142982059 1031121868 /nfs/dbraw/zinc/12/18/68/1031121868.db2.gz JSPAFKCPVYULQY-UHFFFAOYSA-N 0 0 357.845 2.714 20 10 FFCDRN COCCn1cc(C(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)nn1 ZINC000843021160 1031132639 /nfs/dbraw/zinc/13/26/39/1031132639.db2.gz OIUFITFLEUBAFN-UHFFFAOYSA-N 0 0 354.410 2.514 20 10 FFCDRN C[C@@H]1OCC[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCO1 ZINC000843032664 1031142236 /nfs/dbraw/zinc/14/22/36/1031142236.db2.gz GWNXEUNDBLUJCF-UAGQMJEPSA-N 0 0 372.469 2.692 20 10 FFCDRN C[C@@H]1OCC[C@H]1c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1 ZINC000843040141 1031154699 /nfs/dbraw/zinc/15/46/99/1031154699.db2.gz GWVNBCPQQIDYCC-YQQAZPJKSA-N 0 0 372.469 2.549 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc3c(c2)CCN3C(C)=O)c(O)c1 ZINC000797610602 1031160259 /nfs/dbraw/zinc/16/02/59/1031160259.db2.gz DMNZMQKDQJSFGZ-UHFFFAOYSA-N 0 0 355.394 2.632 20 10 FFCDRN CCCNC(=O)c1cccc(NC(=O)NCc2ccc(OC)cc2O)c1 ZINC000797613980 1031161996 /nfs/dbraw/zinc/16/19/96/1031161996.db2.gz PMJRORRWYXAPKT-UHFFFAOYSA-N 0 0 357.410 2.862 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cc(N3CCCC3=O)ccc2F)c(O)c1 ZINC000797616919 1031164429 /nfs/dbraw/zinc/16/44/29/1031164429.db2.gz BDMHHUOKXXELBB-UHFFFAOYSA-N 0 0 373.384 2.988 20 10 FFCDRN COCCOc1ccc(F)cc1NC(=O)NCc1ccc(OC)cc1O ZINC000797621643 1031165439 /nfs/dbraw/zinc/16/54/39/1031165439.db2.gz IUMJHGMYXJKIBE-UHFFFAOYSA-N 0 0 364.373 2.887 20 10 FFCDRN CC(=O)N1CCc2c1cccc2NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000797646376 1031173035 /nfs/dbraw/zinc/17/30/35/1031173035.db2.gz WYCDRRRIPRBBAR-GFCCVEGCSA-N 0 0 369.421 2.760 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cc3c(cc2OC)CCC(=O)N3)c(O)c1 ZINC000797645655 1031173519 /nfs/dbraw/zinc/17/35/19/1031173519.db2.gz SPZMEFKNOAYMBZ-UHFFFAOYSA-N 0 0 371.393 2.616 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cccc3c2CCN3C(C)=O)c(O)c1 ZINC000797646170 1031173768 /nfs/dbraw/zinc/17/37/68/1031173768.db2.gz RWIPQVVSYHUZDB-UHFFFAOYSA-N 0 0 355.394 2.632 20 10 FFCDRN Nc1ccc(Cc2noc(CCC(=O)N3CCOc4ccccc43)n2)cc1 ZINC000843161368 1031216399 /nfs/dbraw/zinc/21/63/99/1031216399.db2.gz NLYHAIYADUGWDS-UHFFFAOYSA-N 0 0 364.405 2.601 20 10 FFCDRN Nc1ccc(Cc2noc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc1 ZINC000843160795 1031216915 /nfs/dbraw/zinc/21/69/15/1031216915.db2.gz JCGRFIKEDFBGRQ-SFHVURJKSA-N 0 0 350.422 2.816 20 10 FFCDRN CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(O)c(O)c(OC)c1 ZINC001204344935 1031239663 /nfs/dbraw/zinc/23/96/63/1031239663.db2.gz LTMKYKVABNXNOA-CQSZACIVSA-N 0 0 366.458 2.938 20 10 FFCDRN COc1cc(CN2CCC(n3c4ccccc4oc3=O)CC2)cc(O)c1O ZINC001204344435 1031239686 /nfs/dbraw/zinc/23/96/86/1031239686.db2.gz HHQACONAMBIJFJ-UHFFFAOYSA-N 0 0 370.405 2.851 20 10 FFCDRN COc1cc(CN2CCC[C@@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc(O)c1O ZINC001204345681 1031240905 /nfs/dbraw/zinc/24/09/05/1031240905.db2.gz AAHMXQBDKAHFBK-KGLIPLIRSA-N 0 0 364.442 2.690 20 10 FFCDRN Nc1ccc(Cc2nc([C@@H]3CN(Cc4ccccc4)CCO3)no2)cc1 ZINC000843204624 1031245078 /nfs/dbraw/zinc/24/50/78/1031245078.db2.gz IGUVYJFVUKDMSK-SFHVURJKSA-N 0 0 350.422 2.816 20 10 FFCDRN CC[C@@H](C)C[C@@H]1NC(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000843307262 1031300820 /nfs/dbraw/zinc/30/08/20/1031300820.db2.gz ODBHFPFLYLFNOJ-CJNGLKHVSA-N 0 0 363.433 2.519 20 10 FFCDRN NC(=O)[C@H]1c2ccccc2CCN1Cc1c(O)cccc1Br ZINC001204730685 1031418618 /nfs/dbraw/zinc/41/86/18/1031418618.db2.gz VHLRUFULXDNWEZ-MRXNPFEDSA-N 0 0 361.239 2.739 20 10 FFCDRN CO[C@H](C(=O)NCCc1cc(C)n(-c2ccccc2)c1C)c1cnn(C)c1 ZINC000798851745 1031564544 /nfs/dbraw/zinc/56/45/44/1031564544.db2.gz ODDAJHYJMWYONA-FQEVSTJZSA-N 0 0 366.465 2.874 20 10 FFCDRN CCOCCOc1cc(C)ccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001149829662 1031601815 /nfs/dbraw/zinc/60/18/15/1031601815.db2.gz OMFDTCITHICPIJ-UHFFFAOYSA-N 0 0 359.422 2.680 20 10 FFCDRN Cc1cc(C(=O)CN2CCOC[C@]23CCOC3)c(C)n1-c1ccccc1 ZINC000799347725 1031744973 /nfs/dbraw/zinc/74/49/73/1031744973.db2.gz KPNAAFRKVVJDAR-OAQYLSRUSA-N 0 0 354.450 2.768 20 10 FFCDRN CNC(=O)c1cnc(/C=C\c2ccc(N3CCN(C)CC3)c(F)c2)s1 ZINC001115957318 1032035541 /nfs/dbraw/zinc/03/55/41/1032035541.db2.gz ZQFCMNPFOHOSNX-XQRVVYSFSA-N 0 0 360.458 2.564 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3[nH]cnc3C(F)(F)F)CC2)cc1F ZINC000829869534 1033372083 /nfs/dbraw/zinc/37/20/83/1033372083.db2.gz UIYXGQWPFJPRIN-UHFFFAOYSA-N 0 0 372.322 2.539 20 10 FFCDRN O=C(C[C@H]1CCCC[NH2+]1)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001218920576 1033409769 /nfs/dbraw/zinc/40/97/69/1033409769.db2.gz XRNRYGIODLZWQT-GFCCVEGCSA-N 0 0 364.401 2.638 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCc2ccc(O)cc21 ZINC000830354797 1033584527 /nfs/dbraw/zinc/58/45/27/1033584527.db2.gz XTDZLFLUNUEBAA-GOSISDBHSA-N 0 0 368.433 2.640 20 10 FFCDRN O=C1C[C@@]2(CN1CC(F)F)CCCC[N@H+]2Cc1ccc(F)c(F)c1[O-] ZINC001276947901 1033722767 /nfs/dbraw/zinc/72/27/67/1033722767.db2.gz CTIRFYRKOIFQMU-QGZVFWFLSA-N 0 0 360.351 2.893 20 10 FFCDRN O[C@]1(C(F)(F)F)COCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC001138215870 1033966390 /nfs/dbraw/zinc/96/63/90/1033966390.db2.gz ZHUQHEMTJOEACY-KRWDZBQOSA-N 0 0 358.404 2.803 20 10 FFCDRN 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CC[C@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)c1ccccc1OC ZINC001332722533 1048528444 /nfs/dbraw/zinc/52/84/44/1048528444.db2.gz RBIXDMUFGIFLMC-INIZCTEOSA-N 0 0 354.406 2.511 20 10 FFCDRN CC[C@H]1c2ccccc2CC[N@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000737795681 1048656946 /nfs/dbraw/zinc/65/69/46/1048656946.db2.gz JQICVODVAJVRMV-INIZCTEOSA-N 0 0 352.394 2.643 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001329561854 1048776950 /nfs/dbraw/zinc/77/69/50/1048776950.db2.gz UBPDGNHQQUPTAO-QJUZWUIZSA-N 0 0 362.426 2.625 20 10 FFCDRN O=C([O-])CC[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC001329965423 1048986181 /nfs/dbraw/zinc/98/61/81/1048986181.db2.gz PVANJFIYLHBXMK-CQSZACIVSA-N 0 0 360.376 2.656 20 10 FFCDRN C[C@@H]1CN(Cc2ccccc2NC(=O)Cc2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC001541101901 1071052979 /nfs/dbraw/zinc/05/29/79/1071052979.db2.gz VSBIROQSDVGCCS-HUUCEWRRSA-N 0 0 370.449 2.888 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cc(C(F)(F)F)nn2C)cc1F ZINC001333946831 1049179503 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COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccc2ccccc2c1 ZINC001295454854 1049930341 /nfs/dbraw/zinc/93/03/41/1049930341.db2.gz FKWMDFAJBMAADN-QGZVFWFLSA-N 0 0 351.358 2.895 20 10 FFCDRN COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccc2ccccc2c1 ZINC001295454853 1049930645 /nfs/dbraw/zinc/93/06/45/1049930645.db2.gz FKWMDFAJBMAADN-KRWDZBQOSA-N 0 0 351.358 2.895 20 10 FFCDRN COC(=O)c1ccc2c(c1)CCN(c1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC001307199602 1049990681 /nfs/dbraw/zinc/99/06/81/1049990681.db2.gz WPKCJNONVGHZEU-UHFFFAOYSA-N 0 0 372.377 2.961 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)Cn3nccc3N)cc2Cl)C1 ZINC001297010100 1050112212 /nfs/dbraw/zinc/11/22/12/1050112212.db2.gz MMPAJWISAJJHBX-ZDUSSCGKSA-N 0 0 361.877 2.671 20 10 FFCDRN CCOC1(c2nnc(N(C)Cc3ccccc3O)n2CCOC)CCC1 ZINC001341500936 1050142757 /nfs/dbraw/zinc/14/27/57/1050142757.db2.gz PAQJEAOVXHESQF-UHFFFAOYSA-N 0 0 360.458 2.682 20 10 FFCDRN CCOCCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ccccc1O ZINC001297572942 1050227540 /nfs/dbraw/zinc/22/75/40/1050227540.db2.gz 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FFCDRN COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccc(F)c(F)c2[O-])C1 ZINC001352876238 1055887749 /nfs/dbraw/zinc/88/77/49/1055887749.db2.gz JMODCJLKJSCFKS-ZJUUUORDSA-N 0 0 353.287 2.844 20 10 FFCDRN CN1CCN(c2ccc(CNc3ccc4[nH]c(=O)[nH]c4c3)cc2F)CC1 ZINC001353003628 1056007161 /nfs/dbraw/zinc/00/71/61/1056007161.db2.gz PRSQVUSPONPXLD-UHFFFAOYSA-N 0 0 355.417 2.772 20 10 FFCDRN CN(C(=O)NCc1ccc(N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001357790553 1056013892 /nfs/dbraw/zinc/01/38/92/1056013892.db2.gz CYOZAADBMFMNLD-KRWDZBQOSA-N 0 0 372.856 2.869 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@]1(F)CCOC1 ZINC001350991476 1056030897 /nfs/dbraw/zinc/03/08/97/1056030897.db2.gz GLHDFLFILVJUEQ-IBGZPJMESA-N 0 0 366.433 2.504 20 10 FFCDRN Cn1c(-c2sc3ncccc3c2[O-])nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001351382898 1056235054 /nfs/dbraw/zinc/23/50/54/1056235054.db2.gz JCGUIXSPTXVXDU-UHFFFAOYSA-N 0 0 372.498 2.718 20 10 FFCDRN COCCn1c([C@@H](C)c2ccccn2)nnc1N(C)Cc1ccccc1O ZINC001358343403 1056265361 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O=C(c1cnn2c1NCCC2)N(Cc1ccco1)Cc1ccccc1O ZINC001519802515 1059081097 /nfs/dbraw/zinc/08/10/97/1059081097.db2.gz GBYMYYQUIWGNFS-UHFFFAOYSA-N 0 0 352.394 2.840 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H](O)C2CC2)n1C[C@@H]1CCCCO1 ZINC001519981930 1059273212 /nfs/dbraw/zinc/27/32/12/1059273212.db2.gz OYEWUBACCLNEOL-WMZOPIPTSA-N 0 0 372.469 2.633 20 10 FFCDRN Cc1cc(CC(=O)N2CC[C@@]3(CCOC3=O)C2)c(C)n1-c1ccccc1 ZINC001515130391 1059368520 /nfs/dbraw/zinc/36/85/20/1059368520.db2.gz UOTGZPFZYKMPCN-OAQYLSRUSA-N 0 0 352.434 2.802 20 10 FFCDRN Cc1cc(C(=O)NC2=NCC(=O)N2C)c(C)n1-c1cccc(C(C)C)c1 ZINC001454211404 1059462693 /nfs/dbraw/zinc/46/26/93/1059462693.db2.gz SYQJDMDMXOTNIB-UHFFFAOYSA-N 0 0 352.438 2.775 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H]3C(=O)OC[C@@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC001454491021 1059548434 /nfs/dbraw/zinc/54/84/34/1059548434.db2.gz DUWVGEIMSDXESX-GUYCJALGSA-N 0 0 358.825 2.993 20 10 FFCDRN Cc1cc(C(=O)N[C@]2(C(N)=O)CCOC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000848320148 1059737246 /nfs/dbraw/zinc/73/72/46/1059737246.db2.gz QVUHMWGRILPKHV-OAQYLSRUSA-N 0 0 369.465 2.592 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCCCSc2nccs2)cc(Cl)n1 ZINC001515679807 1059745463 /nfs/dbraw/zinc/74/54/63/1059745463.db2.gz HQTBTFPSXQRZRP-UHFFFAOYSA-N 0 0 370.887 2.737 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2nccs2)n1C[C@@H]1CCOC1 ZINC001515765470 1059784176 /nfs/dbraw/zinc/78/41/76/1059784176.db2.gz CQFLMFIQQAKVJF-ZDUSSCGKSA-N 0 0 371.466 2.780 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC001546078682 1059986042 /nfs/dbraw/zinc/98/60/42/1059986042.db2.gz WBJNBQYGSSRTIS-ZDUSSCGKSA-N 0 0 360.414 2.507 20 10 FFCDRN COc1cc(C(=O)NCc2c(O)cccc2F)cnc1Br ZINC001456031495 1059991949 /nfs/dbraw/zinc/99/19/49/1059991949.db2.gz XRGXUXDHLLQQOT-UHFFFAOYSA-N 0 0 355.163 2.627 20 10 FFCDRN CCOCc1nc(C)cc(N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC001355215537 1060000936 /nfs/dbraw/zinc/00/09/36/1060000936.db2.gz IJGMOPAXZAELFT-UHFFFAOYSA-N 0 0 356.470 2.795 20 10 FFCDRN COC(=O)c1ccc(CC(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001456308572 1060084180 /nfs/dbraw/zinc/08/41/80/1060084180.db2.gz JEYPRBPVBPSJHN-UHFFFAOYSA-N 0 0 350.374 2.586 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@H]1OC ZINC001516460402 1060090230 /nfs/dbraw/zinc/09/02/30/1060090230.db2.gz CUJQFWONBSURGD-SJLPKXTDSA-N 0 0 374.485 2.972 20 10 FFCDRN COCC1CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC001520824027 1060118316 /nfs/dbraw/zinc/11/83/16/1060118316.db2.gz DMUSJNZPUUWHJC-AWEZNQCLSA-N 0 0 369.412 2.545 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3Cc4cccnc4C3)CC2)cc1 ZINC001520872296 1060158286 /nfs/dbraw/zinc/15/82/86/1060158286.db2.gz GGZNIFJWDLQODH-MRXNPFEDSA-N 0 0 351.450 2.590 20 10 FFCDRN COC(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1ccccc1 ZINC001456917819 1060229188 /nfs/dbraw/zinc/22/91/88/1060229188.db2.gz YCQASQFSGZFEIX-INIZCTEOSA-N 0 0 357.387 2.957 20 10 FFCDRN COc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1C ZINC001516815591 1060241163 /nfs/dbraw/zinc/24/11/63/1060241163.db2.gz NBDVBQWVYFWDJJ-UHFFFAOYSA-N 0 0 358.413 2.909 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(CC(C)(C)O)n1C[C@H]1CCCCO1 ZINC001516932705 1060273126 /nfs/dbraw/zinc/27/31/26/1060273126.db2.gz JXZSBCYFLKPBSU-MRXNPFEDSA-N 0 0 374.485 2.503 20 10 FFCDRN CN(C)C(=O)CCCn1c(C2CCC2)nnc1N(C)Cc1ccccc1O ZINC001516960687 1060282987 /nfs/dbraw/zinc/28/29/87/1060282987.db2.gz POVKBIIVQHBJLA-UHFFFAOYSA-N 0 0 371.485 2.756 20 10 FFCDRN CC[C@H](C)n1nccc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001521016277 1060308504 /nfs/dbraw/zinc/30/85/04/1060308504.db2.gz WVUJULYPSBISSW-INIZCTEOSA-N 0 0 370.497 2.993 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc([C@H]2CC=NO2)n1C ZINC001355569864 1060368951 /nfs/dbraw/zinc/36/89/51/1060368951.db2.gz DDUXCRXAZPGJLN-QGZVFWFLSA-N 0 0 354.458 2.889 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(CO)cc3)CC2)c(OC)c1 ZINC001517790346 1060633808 /nfs/dbraw/zinc/63/38/08/1060633808.db2.gz CWFNBCDPSBPCIM-UHFFFAOYSA-N 0 0 371.437 2.550 20 10 FFCDRN O=S(=O)(NCc1ccc(O)cc1O)c1ccc2ccnc(Cl)c2c1 ZINC001475411125 1061079522 /nfs/dbraw/zinc/07/95/22/1061079522.db2.gz WUKCHSVTODCELA-UHFFFAOYSA-N 0 0 364.810 2.778 20 10 FFCDRN Cc1ccc(O)c(CNS(=O)(=O)c2cccc(Br)c2)c1 ZINC001475511007 1061120648 /nfs/dbraw/zinc/12/06/48/1061120648.db2.gz OCMDFZKXTYNWGW-UHFFFAOYSA-N 0 0 356.241 2.942 20 10 FFCDRN O=S(=O)(Cc1ccc(Br)cc1)NCc1c(O)cccc1F ZINC001475706920 1061220640 /nfs/dbraw/zinc/22/06/40/1061220640.db2.gz KEFDDKKDTHCROU-UHFFFAOYSA-N 0 0 374.231 2.913 20 10 FFCDRN Cn1cc(S(=O)(=O)NCc2cccc(Cl)c2O)c(C2CCCC2)n1 ZINC001475774747 1061267679 /nfs/dbraw/zinc/26/76/79/1061267679.db2.gz PGSALRIYANNIAR-UHFFFAOYSA-N 0 0 369.874 2.915 20 10 FFCDRN COC(=O)c1coc(/C=C/C(=O)N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC001461338657 1061293870 /nfs/dbraw/zinc/29/38/70/1061293870.db2.gz RVBZARVZNRYKKD-MDZDMXLPSA-N 0 0 372.421 2.683 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C(C)(C)CSC)CC2)c(OC)c1 ZINC001461980608 1061468952 /nfs/dbraw/zinc/46/89/52/1061468952.db2.gz TWNQKPOBADOXJB-UHFFFAOYSA-N 0 0 352.500 2.742 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCC(=O)N2CCC[C@@H](C)C2)cc1 ZINC001527537902 1061526508 /nfs/dbraw/zinc/52/65/08/1061526508.db2.gz IARFDXADEHVBGQ-QGZVFWFLSA-N 0 0 374.529 2.981 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CC(F)(F)C1 ZINC001478052413 1061885620 /nfs/dbraw/zinc/88/56/20/1061885620.db2.gz HMMRGGRKGSDNLX-NSHDSACASA-N 0 0 361.339 2.917 20 10 FFCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccc([S@](C)=O)cc1 ZINC001478374583 1061991746 /nfs/dbraw/zinc/99/17/46/1061991746.db2.gz MRXRUSKVSNTHRG-BUBHHJDNSA-N 0 0 350.415 2.829 20 10 FFCDRN Cc1cc(CCNC(=O)N2CC(=O)N(C)[C@H](C)C2)c(C)n1-c1ccccc1 ZINC001479064560 1062211228 /nfs/dbraw/zinc/21/12/28/1062211228.db2.gz SMICMIMNCKXALP-MRXNPFEDSA-N 0 0 368.481 2.509 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001463805900 1062269503 /nfs/dbraw/zinc/26/95/03/1062269503.db2.gz GOXUKTRZWNUTSJ-LJQANCHMSA-N 0 0 369.421 2.887 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001463805899 1062271279 /nfs/dbraw/zinc/27/12/79/1062271279.db2.gz GOXUKTRZWNUTSJ-IBGZPJMESA-N 0 0 369.421 2.887 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCCc1ccnn1-c1ccccc1 ZINC001479356694 1062328346 /nfs/dbraw/zinc/32/83/46/1062328346.db2.gz VOUABSLIRXTBEW-UHFFFAOYSA-N 0 0 350.422 2.962 20 10 FFCDRN C[C@H](NC(=O)NCCNC(=O)OCc1ccccc1)c1ccccc1O ZINC001523617946 1062548962 /nfs/dbraw/zinc/54/89/62/1062548962.db2.gz ZPHGIWUZIUZULS-AWEZNQCLSA-N 0 0 357.410 2.679 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCc2ccccc2C1 ZINC001523652963 1062564130 /nfs/dbraw/zinc/56/41/30/1062564130.db2.gz ODDMMBQDRIPJIH-UHFFFAOYSA-N 0 0 356.451 2.921 20 10 FFCDRN COCCn1c([C@@H]2CCC[C@@H](CO)C2)nnc1N(C)Cc1ccccc1O ZINC001523673089 1062573246 /nfs/dbraw/zinc/57/32/46/1062573246.db2.gz WLEMXXCDRNQMGR-HZPDHXFCSA-N 0 0 374.485 2.533 20 10 FFCDRN CCC[C@H](OCC)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001530967336 1062671950 /nfs/dbraw/zinc/67/19/50/1062671950.db2.gz AQSKYNKNEIDTFW-KRWDZBQOSA-N 0 0 350.459 2.558 20 10 FFCDRN CN1CCc2cc(NC(=O)c3ccc(C4=S=CC=C4)o3)ccc2C1=O ZINC001531636911 1062835158 /nfs/dbraw/zinc/83/51/58/1062835158.db2.gz TVZGZRYDLCBROI-UHFFFAOYSA-N 0 0 352.415 2.786 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)cc1 ZINC001440768288 1063354495 /nfs/dbraw/zinc/35/44/95/1063354495.db2.gz CXTQUEZFBOCRNX-UHFFFAOYSA-N 0 0 352.354 2.631 20 10 FFCDRN CCn1nnnc1NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001525880434 1063446925 /nfs/dbraw/zinc/44/69/25/1063446925.db2.gz GHEMBLVSMLGMGJ-UHFFFAOYSA-N 0 0 358.833 2.935 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1nnc(C)s1 ZINC001466802115 1063562077 /nfs/dbraw/zinc/56/20/77/1063562077.db2.gz LETOZAMRTQCTSR-UHFFFAOYSA-N 0 0 354.435 2.997 20 10 FFCDRN COc1cc(NC(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)nn1C ZINC001467236872 1063681187 /nfs/dbraw/zinc/68/11/87/1063681187.db2.gz MOAHRWBWEBTBPY-UHFFFAOYSA-N 0 0 352.394 2.901 20 10 FFCDRN C[C@@H](NC(=O)[C@@]1(C(=O)OC(C)(C)C)CCCO1)c1ccc(N(C)C)cc1 ZINC001467259552 1063686593 /nfs/dbraw/zinc/68/65/93/1063686593.db2.gz JWEMUIODBFDUMB-JLTOFOAXSA-N 0 0 362.470 2.821 20 10 FFCDRN C[C@H]1CN(C(C)(C)CNC(=O)NCc2cccc(Cl)c2O)C[C@H](C)O1 ZINC001467898380 1063878506 /nfs/dbraw/zinc/87/85/06/1063878506.db2.gz NNIUWOYLMUXACK-STQMWFEESA-N 0 0 369.893 2.733 20 10 FFCDRN O=C(NCC[S@@](=O)Cc1ccccc1)NCc1cccc(Cl)c1O ZINC001468985227 1064071810 /nfs/dbraw/zinc/07/18/10/1064071810.db2.gz LOEKGOJYKCZBFS-XMMPIXPASA-N 0 0 366.870 2.794 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cncc2ncn(C)c21 ZINC001469104132 1064091887 /nfs/dbraw/zinc/09/18/87/1064091887.db2.gz MQIGTDXDNJNXEH-AWEZNQCLSA-N 0 0 351.454 2.704 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC001469103451 1064091957 /nfs/dbraw/zinc/09/19/57/1064091957.db2.gz HSBDZADDZGYLPT-MGPUTAFESA-N 0 0 369.513 2.912 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCc2nnnn2CC1 ZINC001469122762 1064094475 /nfs/dbraw/zinc/09/44/75/1064094475.db2.gz MYYJTSNVAWAIAJ-MRXNPFEDSA-N 0 0 364.453 2.524 20 10 FFCDRN O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCc1cc(Cl)ccc1O ZINC001469876510 1064222446 /nfs/dbraw/zinc/22/24/46/1064222446.db2.gz GVUKOMSNEKIORE-AATRIKPKSA-N 0 0 370.796 2.733 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H](OC)C2CCCC2)cc1 ZINC001470913874 1064488889 /nfs/dbraw/zinc/48/88/89/1064488889.db2.gz NADSLFLBFJFFPS-LJQANCHMSA-N 0 0 363.502 2.978 20 10 FFCDRN Cc1cc(CNC(=O)c2nc(-c3cnccn3)no2)c(C)n1-c1ccccc1 ZINC001471017958 1064529284 /nfs/dbraw/zinc/52/92/84/1064529284.db2.gz NIQXHNNYLBMIGZ-UHFFFAOYSA-N 0 0 374.404 2.864 20 10 FFCDRN Cc1cc(CNC(=O)NC[C@@]2(O)CCO[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC001471036712 1064532907 /nfs/dbraw/zinc/53/29/07/1064532907.db2.gz YYQOJBVCICBHFA-UWJYYQICSA-N 0 0 371.481 2.742 20 10 FFCDRN Cc1ccc(-c2noc(CCC(=O)NCc3cc(O)ccc3O)n2)cc1F ZINC001471660827 1064749213 /nfs/dbraw/zinc/74/92/13/1064749213.db2.gz AUNQHKPMUYYBRR-UHFFFAOYSA-N 0 0 371.368 2.844 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1cnc2n1CCC2 ZINC001471829663 1064811581 /nfs/dbraw/zinc/81/15/81/1064811581.db2.gz XSVJIUHIAWGWPI-UHFFFAOYSA-N 0 0 362.433 2.979 20 10 FFCDRN COC(=O)[C@H](C)Sc1ccccc1C(=O)NCc1c(O)cccc1O ZINC001472063053 1064914213 /nfs/dbraw/zinc/91/42/13/1064914213.db2.gz DNZDTJMJSWQQGC-NSHDSACASA-N 0 0 361.419 2.681 20 10 FFCDRN O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCc1cccc(Cl)c1O ZINC001472317139 1065012205 /nfs/dbraw/zinc/01/22/05/1065012205.db2.gz XBPMAWPLIFVLDR-SREVYHEPSA-N 0 0 370.796 2.733 20 10 FFCDRN CN(C[C@@H](O)c1cccc(Br)c1)C(=O)c1cccc(O)c1O ZINC001472578833 1065101042 /nfs/dbraw/zinc/10/10/42/1065101042.db2.gz VWKBDLKJYFIEMQ-CQSZACIVSA-N 0 0 366.211 2.666 20 10 FFCDRN C[C@@H]1CN(CCNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CCO1 ZINC001472680673 1065127097 /nfs/dbraw/zinc/12/70/97/1065127097.db2.gz DGFKSURZDZQAEO-OAHLLOKOSA-N 0 0 369.421 2.958 20 10 FFCDRN CCCN1CCN(Cc2c(O)cccc2Br)C(C)(C)C1=O ZINC001474460893 1065527042 /nfs/dbraw/zinc/52/70/42/1065527042.db2.gz HVKQSYWCOLIKGF-UHFFFAOYSA-N 0 0 355.276 2.988 20 10 FFCDRN CN(C)c1ccc(CN(C)c2cc(F)c(-c3nn[nH]n3)cc2[N+](=O)[O-])cc1 ZINC001578998541 1078560050 /nfs/dbraw/zinc/56/00/50/1078560050.db2.gz OZPPXNQXIKNVFV-UHFFFAOYSA-N 0 0 371.376 2.616 20 10 FFCDRN Cc1cc(Cl)cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1N ZINC001583334340 1079195109 /nfs/dbraw/zinc/19/51/09/1079195109.db2.gz CJNFWMRZHISPDB-UHFFFAOYSA-N 0 0 359.857 2.997 20 10 FFCDRN CCOC(=O)[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC001583753583 1079258889 /nfs/dbraw/zinc/25/88/89/1079258889.db2.gz YTUZDLGWZKBJEX-SFHVURJKSA-N 0 0 358.413 2.855 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC001583816909 1079269828 /nfs/dbraw/zinc/26/98/28/1079269828.db2.gz NWQRVTHGIYBFAA-GFCCVEGCSA-N 0 0 362.788 2.854 20 10 FFCDRN Cc1cc(C(=O)NCc2cc(Cl)ccc2O)ccc1N1CCNC1=O ZINC001583816311 1079270081 /nfs/dbraw/zinc/27/00/81/1079270081.db2.gz FYMCQLGEVXXWHP-UHFFFAOYSA-N 0 0 359.813 2.814 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@]23CC[C@H]2CN(C(=O)OC(C)(C)C)C3)c1 ZINC001584983850 1079411546 /nfs/dbraw/zinc/41/15/46/1079411546.db2.gz SZGIVOLGIXTREZ-YWZLYKJASA-N 0 0 360.454 2.964 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cncc(N2CCCC2)n1 ZINC001585264115 1079446044 /nfs/dbraw/zinc/44/60/44/1079446044.db2.gz MHMWYBPGSDZODW-MRXNPFEDSA-N 0 0 367.497 2.812 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001556232405 1075719090 /nfs/dbraw/zinc/71/90/90/1075719090.db2.gz IXRGSPAMSVQZPG-AWEZNQCLSA-N 0 0 364.442 2.546 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)c1nccc(N)n1 ZINC001556760378 1075772970 /nfs/dbraw/zinc/77/29/70/1075772970.db2.gz PDMLXGANTGRDID-CYBMUJFWSA-N 0 0 363.421 2.770 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)C1(C)C ZINC001557022963 1075799765 /nfs/dbraw/zinc/79/97/65/1075799765.db2.gz DFWYXNQPYMXOTL-OAHLLOKOSA-N 0 0 364.442 2.545 20 10 FFCDRN Cc1cc(CC(=O)N2CCN(C(=O)C3CC3)C2)c(C)n1-c1ccccc1 ZINC001557075384 1075805024 /nfs/dbraw/zinc/80/50/24/1075805024.db2.gz ONQNGTWPWRDHRQ-UHFFFAOYSA-N 0 0 351.450 2.675 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2ccc(-n3ccnc3)c([N+](=O)[O-])c2)c1 ZINC001557552709 1075861588 /nfs/dbraw/zinc/86/15/88/1075861588.db2.gz HWQHYXDQVHCCCA-UHFFFAOYSA-N 0 0 352.350 2.725 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCc3nccnc3C2)c1 ZINC001557682216 1075873514 /nfs/dbraw/zinc/87/35/14/1075873514.db2.gz GPZGOCPRRMXMOM-UHFFFAOYSA-N 0 0 360.417 2.895 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(CC(C)C)CCNC2=O)cc1F ZINC001585697827 1079489395 /nfs/dbraw/zinc/48/93/95/1079489395.db2.gz DGFWNVQGUMWOFQ-HXUWFJFHSA-N 0 0 363.477 2.841 20 10 FFCDRN Cc1c(C(=O)N2Cc3cccc(O)c3C2)nnn1Cc1ccc(F)cc1 ZINC001558036228 1075932657 /nfs/dbraw/zinc/93/26/57/1075932657.db2.gz XHJHXOGSOFSOAE-UHFFFAOYSA-N 0 0 352.369 2.636 20 10 FFCDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001558161697 1075952852 /nfs/dbraw/zinc/95/28/52/1075952852.db2.gz QTJINJYFESUCGK-TZMCWYRMSA-N 0 0 364.442 2.750 20 10 FFCDRN O=C(CCCc1nc(-c2cccs2)no1)NCc1cc(O)ccc1O ZINC001558174423 1075956344 /nfs/dbraw/zinc/95/63/44/1075956344.db2.gz MSUOHPGEJGLKHU-UHFFFAOYSA-N 0 0 359.407 2.848 20 10 FFCDRN COc1cccc(CNc2ncnc3c2nnn3Cc2ccccc2)c1O ZINC001559096234 1076124886 /nfs/dbraw/zinc/12/48/86/1076124886.db2.gz DLRMOYLFAFGZRN-UHFFFAOYSA-N 0 0 362.393 2.596 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1CC2(CCC2)CO1 ZINC001559607623 1076176724 /nfs/dbraw/zinc/17/67/24/1076176724.db2.gz SFYWDSPHZXYONT-HNNXBMFYSA-N 0 0 353.846 2.980 20 10 FFCDRN CCN(C)c1ccc(CN2C[C@@H](C(F)(F)F)[C@H](S(C)(=O)=O)C2)cc1 ZINC001559994995 1076210865 /nfs/dbraw/zinc/21/08/65/1076210865.db2.gz PRILRYOVXDSEKC-HUUCEWRRSA-N 0 0 364.433 2.550 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)OCc3ccccc3)CC2)c(OC)c1 ZINC001560082981 1076224244 /nfs/dbraw/zinc/22/42/44/1076224244.db2.gz OGLTWIUKGFMCPS-UHFFFAOYSA-N 0 0 370.449 2.569 20 10 FFCDRN CN(C)c1ccc(/C=C/CNc2cccc(N3C(=O)CNC3=O)c2)cc1 ZINC001560280802 1076259303 /nfs/dbraw/zinc/25/93/03/1076259303.db2.gz QHUGUBAFYHDYQI-SNAWJCMRSA-N 0 0 350.422 2.934 20 10 FFCDRN CN1CCN(c2ccc(CNc3ccn(CC(F)F)n3)cc2F)CC1 ZINC001560397292 1076270786 /nfs/dbraw/zinc/27/07/86/1076270786.db2.gz QWKLFZZJMVACJX-UHFFFAOYSA-N 0 0 353.392 2.651 20 10 FFCDRN CN1CC[C@@H]1C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001560597964 1076282930 /nfs/dbraw/zinc/28/29/30/1076282930.db2.gz ICGKHGVNOVLDED-SNVBAGLBSA-N 0 0 364.081 2.711 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2nocc2C)cc1F ZINC001561241370 1076350492 /nfs/dbraw/zinc/35/04/92/1076350492.db2.gz JYFQEADHJRSMHR-UHFFFAOYSA-N 0 0 355.435 2.588 20 10 FFCDRN O=S(=O)(NCc1cc(Cl)ccc1O)N1CC[C@H]2CCCC[C@H]2C1 ZINC001561724861 1076413149 /nfs/dbraw/zinc/41/31/49/1076413149.db2.gz FWLGWBFEIASGLB-OLZOCXBDSA-N 0 0 358.891 2.892 20 10 FFCDRN C[C@H](NS(=O)(=O)CCc1ccccc1[N+](=O)[O-])c1ccccc1O ZINC001561838170 1076431679 /nfs/dbraw/zinc/43/16/79/1076431679.db2.gz QQTIHVKJHNQKTM-LBPRGKRZSA-N 0 0 350.396 2.524 20 10 FFCDRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)NCc1c(O)cccc1F ZINC001562381619 1076492093 /nfs/dbraw/zinc/49/20/93/1076492093.db2.gz JTZOGEPKLRPJQT-UHFFFAOYSA-N 0 0 366.414 2.706 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1C[C@@H]2C[C@@H]2C1 ZINC001564199370 1076614899 /nfs/dbraw/zinc/61/48/99/1076614899.db2.gz IFOJJVPEVHTWSG-HZSPNIEDSA-N 0 0 351.397 2.918 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCC3(C(C)C)CC3)CC2)c(OC)c1 ZINC001564234382 1076618208 /nfs/dbraw/zinc/61/82/08/1076618208.db2.gz GIKAAIBNSMSKAM-UHFFFAOYSA-N 0 0 361.486 2.972 20 10 FFCDRN C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001564315638 1076624349 /nfs/dbraw/zinc/62/43/49/1076624349.db2.gz STAYPDJGPFMOHS-OXJNMPFZSA-N 0 0 356.514 2.911 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1ccc(OC)nc1 ZINC001565172018 1076693199 /nfs/dbraw/zinc/69/31/99/1076693199.db2.gz NZOVQZDZZVCLAF-UHFFFAOYSA-N 0 0 356.470 2.930 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCOC1CCOCC1 ZINC001565394546 1076723267 /nfs/dbraw/zinc/72/32/67/1076723267.db2.gz WWZZMWQRPJQTDL-UHFFFAOYSA-N 0 0 361.486 2.624 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC001565978692 1076824209 /nfs/dbraw/zinc/82/42/09/1076824209.db2.gz RTYGVWJZWPCULM-HNNXBMFYSA-N 0 0 356.205 2.797 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC[C@H](O)c2ccco2)cc1 ZINC001566327863 1076946592 /nfs/dbraw/zinc/94/65/92/1076946592.db2.gz HBKHDMOBPIVLIA-IBGZPJMESA-N 0 0 366.417 2.892 20 10 FFCDRN Cc1cccc(C)c1OC[C@@H](O)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001566334873 1076947748 /nfs/dbraw/zinc/94/77/48/1076947748.db2.gz OTOJWAGRRYCPIY-INIZCTEOSA-N 0 0 370.409 2.636 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1(C)C ZINC001566359893 1076950859 /nfs/dbraw/zinc/95/08/59/1076950859.db2.gz QUTFHQPNOPTFKZ-WFASDCNBSA-N 0 0 364.442 2.653 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC001566686864 1076974834 /nfs/dbraw/zinc/97/48/34/1076974834.db2.gz QAPFAVLBNSAAKJ-MRXNPFEDSA-N 0 0 357.406 2.554 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(C)(C)C ZINC001568100502 1077071687 /nfs/dbraw/zinc/07/16/87/1077071687.db2.gz XJHOAUZXARMVIJ-HNNXBMFYSA-N 0 0 366.458 2.696 20 10 FFCDRN Cc1cc(C(=O)Nn2ccnn2)c(C)n1-c1ccccc1Br ZINC001569397417 1077142083 /nfs/dbraw/zinc/14/20/83/1077142083.db2.gz QRLUPFZQHONKEX-UHFFFAOYSA-N 0 0 360.215 2.832 20 10 FFCDRN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569582988 1077153577 /nfs/dbraw/zinc/15/35/77/1077153577.db2.gz AOKCVRNHIMYWKH-CHWSQXEVSA-N 0 0 373.457 2.957 20 10 FFCDRN O=C(Cc1cc(F)ccc1Br)NCc1ccc(O)cc1O ZINC001570462498 1077207628 /nfs/dbraw/zinc/20/76/28/1077207628.db2.gz VWDURKJUQDXIFI-UHFFFAOYSA-N 0 0 354.175 2.858 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1N=NC(=O)N1C1CC1 ZINC001570886025 1077239160 /nfs/dbraw/zinc/23/91/60/1077239160.db2.gz ZPTSZPZBENDMQI-UHFFFAOYSA-N 0 0 365.437 2.965 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCc3c2cccc3-c2nn[nH]n2)c1O ZINC001588901703 1080250078 /nfs/dbraw/zinc/25/00/78/1080250078.db2.gz NMOQSOXDEVSEGH-UHFFFAOYSA-N 0 0 369.812 2.991 20 10 FFCDRN C[C@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccc(-c2nn[nH]n2)c1 ZINC001589934978 1080877321 /nfs/dbraw/zinc/87/73/21/1080877321.db2.gz PUXPIMZUDOWFBN-RYUDHWBXSA-N 0 0 352.398 2.694 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc4c(c3)ncn4C)CC2)cc1 ZINC000366629366 512114700 /nfs/dbraw/zinc/11/47/00/512114700.db2.gz CAZRQKIEPOYLKN-UHFFFAOYSA-N 0 0 364.449 2.934 20 10 FFCDRN Cc1cc(NC(=O)CSc2nccs2)n(-c2nc(C)cc(C)n2)n1 ZINC000064660148 212041662 /nfs/dbraw/zinc/04/16/62/212041662.db2.gz PJJJADQLSUWBTC-UHFFFAOYSA-N 0 0 360.468 2.775 20 10 FFCDRN CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC000097653822 132230392 /nfs/dbraw/zinc/23/03/92/132230392.db2.gz VWRMJOXHLWWIGE-MSOLQXFVSA-N 0 0 359.514 2.997 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cccc(-c3ncn(C)n3)c2)c(O)c1 ZINC000366754176 512172678 /nfs/dbraw/zinc/17/26/78/512172678.db2.gz DYPPORCUDPABLM-UHFFFAOYSA-N 0 0 353.382 2.518 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H]1c1nnc(-c2ccccc2)[nH]1 ZINC000369077839 512217319 /nfs/dbraw/zinc/21/73/19/512217319.db2.gz NGQTTYYAMZTUTN-CQSZACIVSA-N 0 0 350.378 2.860 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000369127829 512239937 /nfs/dbraw/zinc/23/99/37/512239937.db2.gz YOKQVMUDKQOCOE-KRWDZBQOSA-N 0 0 354.454 2.970 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1cccc(=O)[nH]1 ZINC000366985488 512282053 /nfs/dbraw/zinc/28/20/53/512282053.db2.gz ADDZSQSIAVFDIP-UHFFFAOYSA-N 0 0 363.364 2.787 20 10 FFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(F)c(F)c3)c2)CC1 ZINC000041419502 506516785 /nfs/dbraw/zinc/51/67/85/506516785.db2.gz CDAYRCRSPKLQRA-UHFFFAOYSA-N 0 0 359.376 2.886 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000066703018 506614729 /nfs/dbraw/zinc/61/47/29/506614729.db2.gz MVGJLDWIMLUHCD-UHFFFAOYSA-N 0 0 355.438 2.655 20 10 FFCDRN CCC(=O)N[C@@H](CCSC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000054775612 506618125 /nfs/dbraw/zinc/61/81/25/506618125.db2.gz CPULOTRYXCJMLE-KRWDZBQOSA-N 0 0 363.527 2.551 20 10 FFCDRN COc1cccc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054787306 506622657 /nfs/dbraw/zinc/62/26/57/506622657.db2.gz IPXFRAFGJOQMMM-UHFFFAOYSA-N 0 0 369.465 2.574 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000043531508 506754179 /nfs/dbraw/zinc/75/41/79/506754179.db2.gz SBAWULLNZMYKQD-UHFFFAOYSA-N 0 0 363.439 2.623 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCOC[C@H]1CCCO1 ZINC000045180198 506929127 /nfs/dbraw/zinc/92/91/27/506929127.db2.gz PDOBJWGOPHBXLO-LJQANCHMSA-N 0 0 363.502 2.870 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000367039693 512309345 /nfs/dbraw/zinc/30/93/45/512309345.db2.gz ZHQRNVACAKVROQ-BLLLJJGKSA-N 0 0 350.846 2.739 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1COc2ccccc2C1 ZINC000021963355 507276371 /nfs/dbraw/zinc/27/63/71/507276371.db2.gz WCIWAKUMKBWOLM-IBGZPJMESA-N 0 0 366.461 2.733 20 10 FFCDRN CCOc1cccc(CN2CCn3c(Cc4ccccc4)nnc3C2)c1O ZINC000371332679 512335691 /nfs/dbraw/zinc/33/56/91/512335691.db2.gz ASUPRKMXFZMJET-UHFFFAOYSA-N 0 0 364.449 2.989 20 10 FFCDRN Cc1cc(C)c(CNC(=O)NCc2ccc(N3CCCC3)cc2)c(=O)[nH]1 ZINC000061551717 507620479 /nfs/dbraw/zinc/62/04/79/507620479.db2.gz ADWWWPJIVNLPOS-UHFFFAOYSA-N 0 0 354.454 2.591 20 10 FFCDRN Cc1cc(/C=C/C(=O)N2CCCN(C(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000072079495 507746793 /nfs/dbraw/zinc/74/67/93/507746793.db2.gz PSGZGJBMCIDZHS-MDZDMXLPSA-N 0 0 366.465 2.720 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](CO)Cc1ccccc1 ZINC000079144888 507938008 /nfs/dbraw/zinc/93/80/08/507938008.db2.gz HMXQJDJEPGOEFX-IBGZPJMESA-N 0 0 353.466 2.690 20 10 FFCDRN COc1cccc(CNC(=O)N[C@H](C)COc2ccc(F)cc2F)c1O ZINC000073865868 507962146 /nfs/dbraw/zinc/96/21/46/507962146.db2.gz NWLMOBRBJORDSR-LLVKDONJSA-N 0 0 366.364 2.946 20 10 FFCDRN CN(C)c1ccc(CNc2cc(N3CCC[C@H](CO)C3)ncn2)cc1F ZINC000110381996 508024773 /nfs/dbraw/zinc/02/47/73/508024773.db2.gz KUXVCRATBFHLFV-HNNXBMFYSA-N 0 0 359.449 2.503 20 10 FFCDRN Oc1ccccc1CN(Cc1noc(C2CCOCC2)n1)C[C@H]1CCCO1 ZINC000111233034 508081046 /nfs/dbraw/zinc/08/10/46/508081046.db2.gz LSFYSNYTQWHUCQ-QGZVFWFLSA-N 0 0 373.453 2.850 20 10 FFCDRN CCc1nn(C)c(NCc2ccc(N3CCC(CO)CC3)cc2)c1[N+](=O)[O-] ZINC000092828937 508104152 /nfs/dbraw/zinc/10/41/52/508104152.db2.gz HCEJCLMBQBRCHP-UHFFFAOYSA-N 0 0 373.457 2.712 20 10 FFCDRN CSCCc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000076095393 508157925 /nfs/dbraw/zinc/15/79/25/508157925.db2.gz BEEZKSRECHIAIO-UHFFFAOYSA-N 0 0 371.506 2.913 20 10 FFCDRN COc1cc(F)cc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000094020663 508164075 /nfs/dbraw/zinc/16/40/75/508164075.db2.gz WWDHJPBJUSVBMU-UHFFFAOYSA-N 0 0 373.428 2.670 20 10 FFCDRN COc1cccc(CNC(=O)c2cc(Cl)nc(N3CCCC3)c2)c1O ZINC000112725018 508215378 /nfs/dbraw/zinc/21/53/78/508215378.db2.gz FWRCRRNHXLNCKY-UHFFFAOYSA-N 0 0 361.829 2.979 20 10 FFCDRN CCCC(=O)NC[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000101934453 508261101 /nfs/dbraw/zinc/26/11/01/508261101.db2.gz NKEJJUDCGAOVNI-KRWDZBQOSA-N 0 0 360.502 2.591 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCc3cccc(O)c3)CC2)cc1F ZINC000084891548 508295647 /nfs/dbraw/zinc/29/56/47/508295647.db2.gz UFUGUXQVRDGSQQ-UHFFFAOYSA-N 0 0 359.401 2.572 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(C(C)(C)C)nn1C ZINC000077676548 508348828 /nfs/dbraw/zinc/34/88/28/508348828.db2.gz WEEAEKLXHJQQOL-UHFFFAOYSA-N 0 0 370.497 2.826 20 10 FFCDRN CC(C)N1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000114838204 508352293 /nfs/dbraw/zinc/35/22/93/508352293.db2.gz NXHGAVHBCHNWBI-IBGZPJMESA-N 0 0 372.513 2.828 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(C(=O)OC)CC2)cc1F ZINC000114963740 508363093 /nfs/dbraw/zinc/36/30/93/508363093.db2.gz HGJJLIXDYDQPBF-UHFFFAOYSA-N 0 0 365.449 2.767 20 10 FFCDRN COCCCN(Cc1ccncc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000106504777 508401058 /nfs/dbraw/zinc/40/10/58/508401058.db2.gz WOIAJXDRYWHLCS-UHFFFAOYSA-N 0 0 356.470 2.896 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C2)cc1 ZINC000106506230 508401092 /nfs/dbraw/zinc/40/10/92/508401092.db2.gz TYLSJDPBZWBKEV-HNNXBMFYSA-N 0 0 362.474 2.561 20 10 FFCDRN CCc1ccccc1NC(=O)CNC(=O)CN(C)c1ccc(OC)c(F)c1 ZINC000121800148 508421254 /nfs/dbraw/zinc/42/12/54/508421254.db2.gz BINGRBSPRJJLOG-UHFFFAOYSA-N 0 0 373.428 2.588 20 10 FFCDRN CCc1cc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n(C)n1 ZINC000116509716 508522450 /nfs/dbraw/zinc/52/24/50/508522450.db2.gz NDEBZJVSEHBSLD-INIZCTEOSA-N 0 0 358.442 2.901 20 10 FFCDRN Cc1nc(-c2cccc(NC(=O)NCCc3ccc(O)c(O)c3)c2)n[nH]1 ZINC000134920965 508574906 /nfs/dbraw/zinc/57/49/06/508574906.db2.gz SIBXAZAGQTZPJM-UHFFFAOYSA-N 0 0 353.382 2.556 20 10 FFCDRN O=C(c1cnn2c1CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000128471915 508597450 /nfs/dbraw/zinc/59/74/50/508597450.db2.gz FVTQSJAPWNJVGZ-INIZCTEOSA-N 0 0 355.438 2.746 20 10 FFCDRN COc1cc(Br)cc(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1O ZINC000377704772 512409987 /nfs/dbraw/zinc/40/99/87/512409987.db2.gz WRTDAZUTDBLGKF-KGLIPLIRSA-N 0 0 372.259 2.543 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000123465955 508691164 /nfs/dbraw/zinc/69/11/64/508691164.db2.gz HSFABIPSNFVZJZ-UHFFFAOYSA-N 0 0 367.453 2.956 20 10 FFCDRN O=Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)[nH]1 ZINC000153989968 508693054 /nfs/dbraw/zinc/69/30/54/508693054.db2.gz PKNUTBSYHDSGCV-AWEZNQCLSA-N 0 0 361.829 2.581 20 10 FFCDRN CC[C@@H](O)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000119422552 508792765 /nfs/dbraw/zinc/79/27/65/508792765.db2.gz XYSPLXCXQGUTHQ-OAHLLOKOSA-N 0 0 371.428 2.717 20 10 FFCDRN Cc1nc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000159438247 508842136 /nfs/dbraw/zinc/84/21/36/508842136.db2.gz PETJSANFVDHMQI-UHFFFAOYSA-N 0 0 359.495 2.798 20 10 FFCDRN C[C@](O)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1 ZINC000119939645 508894269 /nfs/dbraw/zinc/89/42/69/508894269.db2.gz OTWKTGPJBNPOBD-NRFANRHFSA-N 0 0 369.440 2.909 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)cc1 ZINC000150922581 508923220 /nfs/dbraw/zinc/92/32/20/508923220.db2.gz SUJPOBMZTMZGJU-MRXNPFEDSA-N 0 0 371.460 2.707 20 10 FFCDRN CN1CCCc2cc(CNC(=O)CCc3nc(-c4ccoc4)no3)ccc21 ZINC000151046049 508946279 /nfs/dbraw/zinc/94/62/79/508946279.db2.gz ADXFZPWHSXZMBA-UHFFFAOYSA-N 0 0 366.421 2.961 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccnc1-n1ccnc1 ZINC000125317801 508963812 /nfs/dbraw/zinc/96/38/12/508963812.db2.gz IHUMKFZJEQYEKR-UHFFFAOYSA-N 0 0 374.448 2.643 20 10 FFCDRN CCC(=O)N1CC[C@H](NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000125462030 508986458 /nfs/dbraw/zinc/98/64/58/508986458.db2.gz LTQMJMYRSDPDMG-INIZCTEOSA-N 0 0 357.429 2.974 20 10 FFCDRN Cc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1C1CCOCC1 ZINC000160443128 508987420 /nfs/dbraw/zinc/98/74/20/508987420.db2.gz PKYPEYYTRMJVSF-UHFFFAOYSA-N 0 0 360.433 2.678 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)c1O ZINC000155578691 509030727 /nfs/dbraw/zinc/03/07/27/509030727.db2.gz XMDUAJJCSWWKDD-KRWDZBQOSA-N 0 0 368.433 2.712 20 10 FFCDRN C[C@@H]1Oc2ccc(NC(=O)NCc3ccc(N(C)C)c(F)c3)cc2NC1=O ZINC000120625580 509033882 /nfs/dbraw/zinc/03/38/82/509033882.db2.gz QHNILGBIAXGCTL-NSHDSACASA-N 0 0 372.400 2.933 20 10 FFCDRN Cc1noc(C)c1[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000132731871 509068610 /nfs/dbraw/zinc/06/86/10/509068610.db2.gz HBRWRDGFSAXGKM-AWEZNQCLSA-N 0 0 357.454 2.938 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1Cl ZINC000161398259 509111396 /nfs/dbraw/zinc/11/13/96/509111396.db2.gz HWFXCMGQPQSQBL-GOSISDBHSA-N 0 0 360.841 2.526 20 10 FFCDRN CCn1nc(C)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000263846849 509183579 /nfs/dbraw/zinc/18/35/79/509183579.db2.gz TUVLAXVUVHXZLZ-UHFFFAOYSA-N 0 0 356.470 2.629 20 10 FFCDRN CCN(Cc1nc(COC)no1)Cc1cc(Br)ccc1O ZINC000182375658 509200585 /nfs/dbraw/zinc/20/05/85/509200585.db2.gz RDMAUROKYMIXNM-UHFFFAOYSA-N 0 0 356.220 2.706 20 10 FFCDRN CC(=O)CC(C)(C)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000191882737 509228435 /nfs/dbraw/zinc/22/84/35/509228435.db2.gz AXXCBGKJBLCSFB-UHFFFAOYSA-N 0 0 364.461 2.798 20 10 FFCDRN Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)C(=O)NCc1ccc(O)c(O)c1 ZINC000182532935 509287948 /nfs/dbraw/zinc/28/79/48/509287948.db2.gz JFPWXEVKFJYRQL-VIFPVBQESA-N 0 0 371.359 2.893 20 10 FFCDRN CC(C)(C)C(=O)NCc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000182538902 509292703 /nfs/dbraw/zinc/29/27/03/509292703.db2.gz YCEORQRJOAFKPB-UHFFFAOYSA-N 0 0 356.422 2.690 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccccc1N1CCOCC1 ZINC000188904389 509317212 /nfs/dbraw/zinc/31/72/12/509317212.db2.gz WBYYPMSKTOGMBY-UHFFFAOYSA-N 0 0 367.449 2.628 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCCOC1 ZINC000173025341 509355844 /nfs/dbraw/zinc/35/58/44/509355844.db2.gz QLWQBFSKOHKFHY-KGLIPLIRSA-N 0 0 354.397 2.800 20 10 FFCDRN COCCOc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173190735 509445094 /nfs/dbraw/zinc/44/50/94/509445094.db2.gz MIVOICQBRGMCBG-UHFFFAOYSA-N 0 0 356.422 2.817 20 10 FFCDRN CCC(CC)N1C[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CC1=O ZINC000173195884 509448520 /nfs/dbraw/zinc/44/85/20/509448520.db2.gz CEHOTSHLOWSWEZ-AWEZNQCLSA-N 0 0 359.470 2.515 20 10 FFCDRN Cc1ccccc1C(=O)N[C@@H](C(=O)NCCc1ccc(N)cc1)C(C)C ZINC000236688080 509482100 /nfs/dbraw/zinc/48/21/00/509482100.db2.gz DFPAOADLNKKUMY-LJQANCHMSA-N 0 0 353.466 2.691 20 10 FFCDRN Cc1cccc(C(=O)N[C@H](C(=O)NCCc2ccc(N)cc2)C(C)C)c1 ZINC000236748398 509496429 /nfs/dbraw/zinc/49/64/29/509496429.db2.gz LCSCPSXXXFVMEU-IBGZPJMESA-N 0 0 353.466 2.691 20 10 FFCDRN CCOc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1ccccc1O ZINC000267489089 509513631 /nfs/dbraw/zinc/51/36/31/509513631.db2.gz VEULLNGFXJIYSI-UHFFFAOYSA-N 0 0 357.410 2.814 20 10 FFCDRN CCC[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)N1CCc2sccc2C1 ZINC000236846966 509517261 /nfs/dbraw/zinc/51/72/61/509517261.db2.gz RELHWIOWVKQGGA-QGZVFWFLSA-N 0 0 371.506 2.743 20 10 FFCDRN COc1cccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1F ZINC000189327718 509520811 /nfs/dbraw/zinc/52/08/11/509520811.db2.gz CBXMITQBKDMVJT-UHFFFAOYSA-N 0 0 371.412 2.755 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1csc(CN)n1 ZINC000236919746 509534614 /nfs/dbraw/zinc/53/46/14/509534614.db2.gz IEDZCZNHYFLGSX-UHFFFAOYSA-N 0 0 370.272 2.732 20 10 FFCDRN Cc1sc2ncc(C(=O)N(C)Cc3ccc(N(C)C)cc3)c(=O)n2c1C ZINC000179618322 509537934 /nfs/dbraw/zinc/53/79/34/509537934.db2.gz GQHDHHXEWJAVSA-UHFFFAOYSA-N 0 0 370.478 2.711 20 10 FFCDRN CC[C@@]1(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)CCC(=O)NC1=O ZINC000237070553 509562820 /nfs/dbraw/zinc/56/28/20/509562820.db2.gz XGKLXDZXIVGZAH-NRFANRHFSA-N 0 0 365.433 2.534 20 10 FFCDRN CC(=O)CSCC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000192632869 509573587 /nfs/dbraw/zinc/57/35/87/509573587.db2.gz IRBGJBKJPFKTKC-ZDUSSCGKSA-N 0 0 372.437 2.695 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O ZINC000189434300 509573958 /nfs/dbraw/zinc/57/39/58/509573958.db2.gz AYDWMIYLRZZKQO-UHFFFAOYSA-N 0 0 360.435 2.664 20 10 FFCDRN Cc1cc(O)cc(=O)n1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000176695354 509645970 /nfs/dbraw/zinc/64/59/70/509645970.db2.gz MJTRPHXSYQVFIB-UHFFFAOYSA-N 0 0 369.465 2.511 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000267956588 509686314 /nfs/dbraw/zinc/68/63/14/509686314.db2.gz YFFPNWIXIQDCJG-UHFFFAOYSA-N 0 0 369.421 2.698 20 10 FFCDRN Oc1ccccc1CN(Cc1nnc2n1CCCCC2)C[C@H]1CCCO1 ZINC000264760833 509688853 /nfs/dbraw/zinc/68/88/53/509688853.db2.gz YWRJNXRBPSWDNJ-QGZVFWFLSA-N 0 0 356.470 2.891 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccnc(N3CCCCC3)c2)c1O ZINC000173674370 509714225 /nfs/dbraw/zinc/71/42/25/509714225.db2.gz WWJZFBLGCIFFKV-UHFFFAOYSA-N 0 0 370.453 2.786 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000192990861 509728252 /nfs/dbraw/zinc/72/82/52/509728252.db2.gz GJOVZORRALGZBC-UHFFFAOYSA-N 0 0 366.417 2.539 20 10 FFCDRN O=C(/C=C/c1cccc(O)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000180097556 509748832 /nfs/dbraw/zinc/74/88/32/509748832.db2.gz WLAFBQIALDHBGD-FNORWQNLSA-N 0 0 370.424 2.822 20 10 FFCDRN O=C(/C=C/c1ccc(O)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000180097586 509749782 /nfs/dbraw/zinc/74/97/82/509749782.db2.gz SDJRXMPOOIZIMX-XBXARRHUSA-N 0 0 370.424 2.822 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)c(Cl)c2)cc1 ZINC000176934870 509774866 /nfs/dbraw/zinc/77/48/66/509774866.db2.gz WXVAHUICQBPJNC-UHFFFAOYSA-N 0 0 374.872 2.727 20 10 FFCDRN Cc1oc(-c2ccco2)nc1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183487098 509821174 /nfs/dbraw/zinc/82/11/74/509821174.db2.gz PKBADYBZRKKRLF-LLVKDONJSA-N 0 0 356.378 2.944 20 10 FFCDRN COC[C@H](C)n1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000189932477 509836792 /nfs/dbraw/zinc/83/67/92/509836792.db2.gz PHJLPEKZTYRNKP-ZDUSSCGKSA-N 0 0 359.430 2.587 20 10 FFCDRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1cc(F)ccc1O ZINC000180335276 509873903 /nfs/dbraw/zinc/87/39/03/509873903.db2.gz IJLCJBRXPFAWIB-UHFFFAOYSA-N 0 0 373.428 2.540 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCC1CCN(CC(F)(F)F)CC1 ZINC000186740384 509882675 /nfs/dbraw/zinc/88/26/75/509882675.db2.gz JIHWLDKICNXEPB-UHFFFAOYSA-N 0 0 359.392 2.808 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cccc2cnccc21 ZINC000174062026 509929426 /nfs/dbraw/zinc/92/94/26/509929426.db2.gz LSTQFJXAYCYNOJ-UHFFFAOYSA-N 0 0 369.446 2.889 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCc1cccc(C(N)=O)c1 ZINC000171131552 509960696 /nfs/dbraw/zinc/96/06/96/509960696.db2.gz NSFVGEYVQDGYMP-UHFFFAOYSA-N 0 0 368.481 2.626 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(NC(=O)c2ccccc2)CC1 ZINC000180614267 510014928 /nfs/dbraw/zinc/01/49/28/510014928.db2.gz LHRMSEPLCVDSDW-VQHVLOKHSA-N 0 0 366.417 2.532 20 10 FFCDRN CCN(CC)C(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000268582568 510020626 /nfs/dbraw/zinc/02/06/26/510020626.db2.gz NGMNRXPSKADYJX-UHFFFAOYSA-N 0 0 371.437 2.944 20 10 FFCDRN CCCc1cnc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)s1 ZINC000190539810 510193046 /nfs/dbraw/zinc/19/30/46/510193046.db2.gz IHIAUJQQCRVLBE-UHFFFAOYSA-N 0 0 370.478 2.727 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccccc2CN2CCOCC2)cc1 ZINC000265866460 510271011 /nfs/dbraw/zinc/27/10/11/510271011.db2.gz XSVIKOMLLLYNNV-UHFFFAOYSA-N 0 0 353.466 2.515 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](CO)c1ccc(F)cc1 ZINC000265912561 510295897 /nfs/dbraw/zinc/29/58/97/510295897.db2.gz FHGSEYIZPPEISA-LJQANCHMSA-N 0 0 355.413 2.735 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)c1O ZINC000265964794 510328846 /nfs/dbraw/zinc/32/88/46/510328846.db2.gz RZHDRRUESWIJGP-MRXNPFEDSA-N 0 0 358.394 2.890 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H](CO)c1c(F)cccc1F ZINC000265989434 510344040 /nfs/dbraw/zinc/34/40/40/510344040.db2.gz YOQXXVDSXYXOTL-GOSISDBHSA-N 0 0 373.403 2.874 20 10 FFCDRN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])cc1 ZINC000187769338 510425421 /nfs/dbraw/zinc/42/54/21/510425421.db2.gz UGXNENIZMQLGOE-NSHDSACASA-N 0 0 350.365 2.760 20 10 FFCDRN CCc1ncc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000269505179 510440256 /nfs/dbraw/zinc/44/02/56/510440256.db2.gz DEACZHKUOLZEDM-UHFFFAOYSA-N 0 0 355.442 2.540 20 10 FFCDRN CNC(=O)CCN(C)C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000171904978 510443128 /nfs/dbraw/zinc/44/31/28/510443128.db2.gz SCRCBBHHKIBSKS-UHFFFAOYSA-N 0 0 360.502 2.733 20 10 FFCDRN Cc1ccn(CC(=O)NCc2ccc(N3CCC(C)CC3)cc2)c(=O)c1 ZINC000194636047 510457581 /nfs/dbraw/zinc/45/75/81/510457581.db2.gz ICYWNDCNGQRNBC-UHFFFAOYSA-N 0 0 353.466 2.709 20 10 FFCDRN COCCNC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)nc1 ZINC000171973285 510481336 /nfs/dbraw/zinc/48/13/36/510481336.db2.gz APASVBBQCGFUHF-UHFFFAOYSA-N 0 0 354.454 2.670 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1cscn1 ZINC000181588364 510486646 /nfs/dbraw/zinc/48/66/46/510486646.db2.gz LYYVJNQQTUCCCJ-UHFFFAOYSA-N 0 0 368.842 2.637 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1 ZINC000184783512 510515645 /nfs/dbraw/zinc/51/56/45/510515645.db2.gz AIBKWJAVJTXLMN-SFHVURJKSA-N 0 0 355.438 2.588 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(Oc2ccc(F)nc2)CC1 ZINC000191143437 510522495 /nfs/dbraw/zinc/52/24/95/510522495.db2.gz IDYVCRJZBATPCP-QHHAFSJGSA-N 0 0 358.369 2.715 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000269858507 510572949 /nfs/dbraw/zinc/57/29/49/510572949.db2.gz ZRUOJBZDHWTDGQ-UHFFFAOYSA-N 0 0 357.410 2.737 20 10 FFCDRN CC1(C2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)CC2)OCCO1 ZINC000270111339 510680933 /nfs/dbraw/zinc/68/09/33/510680933.db2.gz DHHOFJJSEWKMHI-UHFFFAOYSA-N 0 0 373.497 2.971 20 10 FFCDRN COc1ccc(OC)c([C@@H](C)NC(=O)NCc2cccc(OC)c2O)c1 ZINC000266640850 510703665 /nfs/dbraw/zinc/70/36/65/510703665.db2.gz BYFPCYRIXHTINR-GFCCVEGCSA-N 0 0 360.410 2.978 20 10 FFCDRN O=C(NCCCOC1CCOCC1)NCc1ccc(N2CCCC2)cc1 ZINC000175639765 510706570 /nfs/dbraw/zinc/70/65/70/510706570.db2.gz UMCLFYSTNUHKEH-UHFFFAOYSA-N 0 0 361.486 2.672 20 10 FFCDRN O=C(N[C@@H]1CCC[C@@H]1CCO)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000188373714 510735560 /nfs/dbraw/zinc/73/55/60/510735560.db2.gz HRGGWEXMNZNAHU-KBAYOESNSA-N 0 0 362.470 2.634 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1nc2c(s1)COCC2 ZINC000172575464 510800724 /nfs/dbraw/zinc/80/07/24/510800724.db2.gz MGPOMVVGCVOMLD-UHFFFAOYSA-N 0 0 356.451 2.914 20 10 FFCDRN COC[C@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000360189090 510882718 /nfs/dbraw/zinc/88/27/18/510882718.db2.gz SDQUZDYCNSCQEZ-CYBMUJFWSA-N 0 0 371.428 2.839 20 10 FFCDRN Cn1ncc(CCCNC(=O)N(Cc2ccccc2O)C2CCCCC2)n1 ZINC000297311783 510898147 /nfs/dbraw/zinc/89/81/47/510898147.db2.gz LFQVOKUCAXQMGY-UHFFFAOYSA-N 0 0 371.485 2.998 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@H](n4cncn4)C3)cc2)CC1 ZINC000364507768 510904586 /nfs/dbraw/zinc/90/45/86/510904586.db2.gz JDYURGKAWBJKMO-IBGZPJMESA-N 0 0 368.485 2.671 20 10 FFCDRN CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1(C)C ZINC000275650678 510908269 /nfs/dbraw/zinc/90/82/69/510908269.db2.gz LMYLRTWJXYFCPN-FXAWDEMLSA-N 0 0 365.493 2.821 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(NC(C)=O)c1 ZINC000275905611 510920101 /nfs/dbraw/zinc/92/01/01/510920101.db2.gz NTMPUCRXWOHNAQ-UHFFFAOYSA-N 0 0 369.421 2.728 20 10 FFCDRN CCCOc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000276162989 510928709 /nfs/dbraw/zinc/92/87/09/510928709.db2.gz RXFCXMOHONYWIQ-CYBMUJFWSA-N 0 0 372.421 2.573 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(F)c1[O-] ZINC000276239136 510930496 /nfs/dbraw/zinc/93/04/96/510930496.db2.gz AXKDBOCFQRMLEF-JTQLQIEISA-N 0 0 356.394 2.893 20 10 FFCDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000276411542 510938703 /nfs/dbraw/zinc/93/87/03/510938703.db2.gz AZOQOMMHHWJRNG-GOEBONIOSA-N 0 0 357.406 2.577 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[S@@](=O)CC2)cc1F ZINC000297420485 510938786 /nfs/dbraw/zinc/93/87/86/510938786.db2.gz YIUBIICRHNPYIF-SXBQZSJRSA-N 0 0 369.506 2.724 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276998725 510952126 /nfs/dbraw/zinc/95/21/26/510952126.db2.gz YXIZGGINQUBULF-WBMJQRKESA-N 0 0 361.392 2.907 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCOCC1CC1 ZINC000277248774 510957317 /nfs/dbraw/zinc/95/73/17/510957317.db2.gz HEXKWQKZGFBKQZ-UHFFFAOYSA-N 0 0 352.818 2.627 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000277294053 510960392 /nfs/dbraw/zinc/96/03/92/510960392.db2.gz BBNWRIFPDRGJPG-XPTSAGLGSA-N 0 0 364.320 2.752 20 10 FFCDRN Cc1nn(C)cc1[C@@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000360911979 510964250 /nfs/dbraw/zinc/96/42/50/510964250.db2.gz HNOKERAPFPHUIE-KRWDZBQOSA-N 0 0 359.449 2.980 20 10 FFCDRN Cc1nnc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)s1 ZINC000277593165 510967361 /nfs/dbraw/zinc/96/73/61/510967361.db2.gz GWEURKMJQUBDER-MRVPVSSYSA-N 0 0 366.830 2.731 20 10 FFCDRN CC(=O)N1CCN(CC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000278231155 510984595 /nfs/dbraw/zinc/98/45/95/510984595.db2.gz KHYNQRMCKGYHCF-NSHDSACASA-N 0 0 360.285 2.514 20 10 FFCDRN COc1c(O)c(CN(C)Cc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000278227313 510985395 /nfs/dbraw/zinc/98/53/95/510985395.db2.gz MEKZRFPRJDBUFP-UHFFFAOYSA-N 0 0 374.319 2.700 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)c2cccc(O)c2O)CCN1C(=O)OC(C)(C)C ZINC000278273989 510986473 /nfs/dbraw/zinc/98/64/73/510986473.db2.gz HUOFJYXRJOSAHJ-NWDGAFQWSA-N 0 0 350.415 2.616 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@](C)(O)c2ccccc2Cl)ccc1[N+](=O)[O-] ZINC000278297957 510987752 /nfs/dbraw/zinc/98/77/52/510987752.db2.gz CPJITTQGUVZUEF-KRWDZBQOSA-N 0 0 366.801 2.960 20 10 FFCDRN COc1c(O)c(CN2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278323754 510989348 /nfs/dbraw/zinc/98/93/48/510989348.db2.gz YOOJGGAPUQIUCE-CYBMUJFWSA-N 0 0 350.396 2.944 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](O)c1cccnc1 ZINC000270817704 510993954 /nfs/dbraw/zinc/99/39/54/510993954.db2.gz PSIGGTZKSCQPJG-OAHLLOKOSA-N 0 0 365.227 2.632 20 10 FFCDRN COc1c(O)c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886426 511011693 /nfs/dbraw/zinc/01/16/93/511011693.db2.gz OZNOXZKRQUNOCZ-UKRRQHHQSA-N 0 0 362.382 2.990 20 10 FFCDRN COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1[N+](=O)[O-] ZINC000278868551 511011906 /nfs/dbraw/zinc/01/19/06/511011906.db2.gz MTRAROYDEFIIEA-UHFFFAOYSA-N 0 0 363.326 2.516 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](c2nncn2C)C(C)C)c(C)n1-c1ccccn1 ZINC000285909621 511016696 /nfs/dbraw/zinc/01/66/96/511016696.db2.gz DBSLPVNQKAEDHQ-QGZVFWFLSA-N 0 0 352.442 2.745 20 10 FFCDRN Cc1nc[nH]c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000279167403 511020465 /nfs/dbraw/zinc/02/04/65/511020465.db2.gz GQEPYJYSKNTGHT-SFHVURJKSA-N 0 0 356.470 2.534 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCc4[nH]cnc4C3)ccc21 ZINC000361279421 511025763 /nfs/dbraw/zinc/02/57/63/511025763.db2.gz XJDMBISUBMXZQD-MRXNPFEDSA-N 0 0 366.465 2.915 20 10 FFCDRN CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H](C)[S@@]1=O ZINC000286619405 511028603 /nfs/dbraw/zinc/02/86/03/511028603.db2.gz CFIJYKSDCFKVKD-JCIOZEIESA-N 0 0 359.495 2.861 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC2CCC(c3nc(C)no3)CC2)c1 ZINC000361314339 511031245 /nfs/dbraw/zinc/03/12/45/511031245.db2.gz FBETWUGHUCTQPL-UHFFFAOYSA-N 0 0 360.414 2.618 20 10 FFCDRN COc1cccc(CNC(=O)[C@@](C)(O)CSc2cccc(F)c2)c1O ZINC000286749080 511031683 /nfs/dbraw/zinc/03/16/83/511031683.db2.gz LLUGDIVTOOSBBD-SFHVURJKSA-N 0 0 365.426 2.699 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1Cc2ccccc2CO1 ZINC000287155418 511041884 /nfs/dbraw/zinc/04/18/84/511041884.db2.gz MDSSESUXPFCYRQ-UHFFFAOYSA-N 0 0 353.422 2.680 20 10 FFCDRN CC[C@@H]([NH2+]C1CCN(CC(=O)NC)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000287594167 511053292 /nfs/dbraw/zinc/05/32/92/511053292.db2.gz IGEFHRKXVILFBT-OAHLLOKOSA-N 0 0 374.312 2.950 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CCCSC1 ZINC000287818979 511057936 /nfs/dbraw/zinc/05/79/36/511057936.db2.gz VJHUZKOMCRUDFF-NSHDSACASA-N 0 0 354.859 2.953 20 10 FFCDRN CN1CC[C@H](NC(=O)NCc2ccccc2O)[C@H]1c1ccc(F)c(F)c1 ZINC000271080814 511076536 /nfs/dbraw/zinc/07/65/36/511076536.db2.gz ZUFGKDHDDLHTTO-FUHWJXTLSA-N 0 0 361.392 2.915 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000289083480 511093359 /nfs/dbraw/zinc/09/33/59/511093359.db2.gz IZFRADIESPIPIG-ZHALLVOQSA-N 0 0 374.481 2.595 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H]1COc2ccccc21 ZINC000289242757 511095684 /nfs/dbraw/zinc/09/56/84/511095684.db2.gz OZZLJXVIWARZSN-RUJXFNLJSA-N 0 0 364.445 2.829 20 10 FFCDRN CNS(=O)(=O)c1ccc(C)c(NCc2cc(Cl)cc(OC)c2O)c1 ZINC000289322916 511098305 /nfs/dbraw/zinc/09/83/05/511098305.db2.gz FWQNLLKKLVDXFA-UHFFFAOYSA-N 0 0 370.858 2.883 20 10 FFCDRN COc1cc2c(cc1OC)CN(C(=O)COc1ccc(N(C)C)cc1)CC2 ZINC000289428056 511100444 /nfs/dbraw/zinc/10/04/44/511100444.db2.gz RNAVLNBHASTOHA-UHFFFAOYSA-N 0 0 370.449 2.734 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1coc2c1C(=O)CCC2 ZINC000294573675 511107988 /nfs/dbraw/zinc/10/79/88/511107988.db2.gz UPMYIZNELVMKTD-UHFFFAOYSA-N 0 0 372.396 2.704 20 10 FFCDRN CN(CCS(C)(=O)=O)Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000294613964 511121150 /nfs/dbraw/zinc/12/11/50/511121150.db2.gz WSPVEOWMXUALDI-UHFFFAOYSA-N 0 0 352.525 2.861 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000290367897 511135417 /nfs/dbraw/zinc/13/54/17/511135417.db2.gz AQEZKOXOSRXIFM-SCLBCKFNSA-N 0 0 360.479 2.565 20 10 FFCDRN Nc1ccc(NC(=O)[C@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 ZINC000364889456 511136347 /nfs/dbraw/zinc/13/63/47/511136347.db2.gz WOUBNRSWTCAAPV-APWZRJJASA-N 0 0 371.437 2.937 20 10 FFCDRN Cc1ccc(C(=O)Nc2cccc(OCC(=O)N3CCCC3)c2)c(O)c1O ZINC000271255764 511139661 /nfs/dbraw/zinc/13/96/61/511139661.db2.gz ILLATBNGSIVMKR-UHFFFAOYSA-N 0 0 370.405 2.660 20 10 FFCDRN CN(c1ccc(CNC(=O)C2(S(C)(=O)=O)CC2)cc1)C1CCCCC1 ZINC000279599749 511141866 /nfs/dbraw/zinc/14/18/66/511141866.db2.gz SCICNDSJSVPOOA-UHFFFAOYSA-N 0 0 364.511 2.649 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cncc(-n2ccnn2)c1 ZINC000282894518 511151717 /nfs/dbraw/zinc/15/17/17/511151717.db2.gz WLFCHWBILBVITP-UHFFFAOYSA-N 0 0 351.410 2.810 20 10 FFCDRN COCC[C@H]1COCCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000291163919 511161150 /nfs/dbraw/zinc/16/11/50/511161150.db2.gz IUPYVHATTZKFSE-SFHVURJKSA-N 0 0 374.481 2.782 20 10 FFCDRN Cc1cc(Cl)cnc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000291432194 511195216 /nfs/dbraw/zinc/19/52/16/511195216.db2.gz XTCYBLKOASEEEJ-UHFFFAOYSA-N 0 0 360.845 2.707 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000279759401 511204361 /nfs/dbraw/zinc/20/43/61/511204361.db2.gz PEZCKNZRHZGILK-GUYCJALGSA-N 0 0 357.406 2.627 20 10 FFCDRN CNC(=O)C1CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000298312686 511242367 /nfs/dbraw/zinc/24/23/67/511242367.db2.gz RXOGSBKRNBMAPM-UHFFFAOYSA-N 0 0 357.429 2.831 20 10 FFCDRN COC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000298338653 511250254 /nfs/dbraw/zinc/25/02/54/511250254.db2.gz BYTAOMDQVQDMQI-UHFFFAOYSA-N 0 0 353.422 2.739 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](c3nncn3C3CC3)C2)cc1OC ZINC000271615204 511264269 /nfs/dbraw/zinc/26/42/69/511264269.db2.gz LJPTWANLQQTCRL-LBPRGKRZSA-N 0 0 373.413 2.922 20 10 FFCDRN CCc1nc(C)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)o1 ZINC000295058577 511267561 /nfs/dbraw/zinc/26/75/61/511267561.db2.gz QXVMUERCHVYIPI-UHFFFAOYSA-N 0 0 357.454 2.684 20 10 FFCDRN COC1CCN(c2ccc(CN3CCNC(=O)[C@@H]3CC(C)C)cc2)CC1 ZINC000295071354 511271452 /nfs/dbraw/zinc/27/14/52/511271452.db2.gz AGLGMPBIRLXCFH-FQEVSTJZSA-N 0 0 359.514 2.648 20 10 FFCDRN CCOc1ccc(O)c(CNc2cccc(N3C(=O)CNC3=O)c2C)c1 ZINC000280256034 511394404 /nfs/dbraw/zinc/39/44/04/511394404.db2.gz LOCCROKKIDDAHQ-UHFFFAOYSA-N 0 0 355.394 2.768 20 10 FFCDRN C[C@H](O)c1ncc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000283555360 511413594 /nfs/dbraw/zinc/41/35/94/511413594.db2.gz VJMFLAWJARESBU-GXTWGEPZSA-N 0 0 362.451 2.723 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCOC[C@@H]1c1ccco1 ZINC000365386457 511419033 /nfs/dbraw/zinc/41/90/33/511419033.db2.gz DSTOOJAEXFMBAG-GOSISDBHSA-N 0 0 353.422 2.939 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCCCO[C@@H]1CCOC1 ZINC000283601096 511429635 /nfs/dbraw/zinc/42/96/35/511429635.db2.gz LEZFNFNBVJMIHO-QGZVFWFLSA-N 0 0 350.459 2.900 20 10 FFCDRN O=C(NCc1ccoc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000283640004 511445354 /nfs/dbraw/zinc/44/53/54/511445354.db2.gz ZEDRGYWVULNXMN-UHFFFAOYSA-N 0 0 356.422 2.963 20 10 FFCDRN CC(C)Oc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1C(N)=O ZINC000280440250 511466305 /nfs/dbraw/zinc/46/63/05/511466305.db2.gz FWUGURZFZPIWGV-UHFFFAOYSA-N 0 0 370.453 2.960 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCc2cccc(F)c2)C2CC2)cc1 ZINC000283730155 511478547 /nfs/dbraw/zinc/47/85/47/511478547.db2.gz FNXGJVLQLWGXLY-UHFFFAOYSA-N 0 0 369.440 2.699 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H]2CCc3cnn(C(C)C)c3C2)ccc1[N+](=O)[O-] ZINC000365490105 511482969 /nfs/dbraw/zinc/48/29/69/511482969.db2.gz GYWNCXHPOGSVRQ-AWEZNQCLSA-N 0 0 360.414 2.734 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3ccncn3)cc2F)C[C@H](C)O1 ZINC000272262062 511483690 /nfs/dbraw/zinc/48/36/90/511483690.db2.gz QRABUFRXGSRYGH-LPZJRDJDSA-N 0 0 370.428 2.559 20 10 FFCDRN Cc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(O[C@@H]2CCOC2)c1 ZINC000272581575 511500214 /nfs/dbraw/zinc/50/02/14/511500214.db2.gz FAALMHIVSNSVFC-BBOMDTFKSA-N 0 0 369.417 2.904 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H]1CCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272710046 511505717 /nfs/dbraw/zinc/50/57/17/511505717.db2.gz XSNXUBRVVHBZSP-RCQQVGEISA-N 0 0 362.426 2.627 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CCO)c2ccc(OC)cc2)c1 ZINC000273353006 511522801 /nfs/dbraw/zinc/52/28/01/511522801.db2.gz CCNWSWFOKDTEON-ACJLOTCBSA-N 0 0 359.422 2.962 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000273361759 511523555 /nfs/dbraw/zinc/52/35/55/511523555.db2.gz ANDQPQBFKKXTLU-CZUORRHYSA-N 0 0 368.433 2.914 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273478961 511527652 /nfs/dbraw/zinc/52/76/52/511527652.db2.gz LNEABFLYRLVZLH-KDOFPFPSSA-N 0 0 368.433 2.631 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000365570838 511534163 /nfs/dbraw/zinc/53/41/63/511534163.db2.gz ZHXMDPICVULCPI-UHFFFAOYSA-N 0 0 355.316 2.860 20 10 FFCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000283972297 511561885 /nfs/dbraw/zinc/56/18/85/511561885.db2.gz GSCATHNXGOFXRS-IBGZPJMESA-N 0 0 369.465 2.645 20 10 FFCDRN Cn1ccnc1[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000365638482 511574107 /nfs/dbraw/zinc/57/41/07/511574107.db2.gz MHIVHYRKOKSATK-SFHVURJKSA-N 0 0 367.497 2.892 20 10 FFCDRN C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000295985911 511579765 /nfs/dbraw/zinc/57/97/65/511579765.db2.gz QGYCNFVKVFMPSM-FROQITRMSA-N 0 0 364.442 2.921 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)C(=O)NCc2ccco2)c(C)n1-c1ccccn1 ZINC000299305671 511585444 /nfs/dbraw/zinc/58/54/44/511585444.db2.gz BIMFLBZDGBRORR-AWEZNQCLSA-N 0 0 366.421 2.517 20 10 FFCDRN CC(C)n1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000280821487 511615817 /nfs/dbraw/zinc/61/58/17/511615817.db2.gz UCIKSNRQLRTJGQ-UHFFFAOYSA-N 0 0 357.458 2.965 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)C3C[C@@H]4COC[C@H](C3)C4=O)cc2)CC1 ZINC000363557187 511627715 /nfs/dbraw/zinc/62/77/15/511627715.db2.gz IEQWTABAYKPKDF-YQQQUEKLSA-N 0 0 370.493 2.781 20 10 FFCDRN COc1ccccc1-c1noc([C@H](C)NC(=O)c2cccc(O)c2O)n1 ZINC000365752766 511637244 /nfs/dbraw/zinc/63/72/44/511637244.db2.gz ISMFYWUVOFSLAC-JTQLQIEISA-N 0 0 355.350 2.647 20 10 FFCDRN O=C(CCc1ccccc1)N1CCC(C(=O)NCc2ccccc2O)CC1 ZINC000299468198 511648293 /nfs/dbraw/zinc/64/82/93/511648293.db2.gz FSGXIXHTLRRYLP-UHFFFAOYSA-N 0 0 366.461 2.880 20 10 FFCDRN O=C(NCc1ccccc1O)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000299527329 511661251 /nfs/dbraw/zinc/66/12/51/511661251.db2.gz RPJPQNPCBRGDPO-QGZVFWFLSA-N 0 0 353.422 2.555 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC(CO)(c3ccccc3)CC2)cc1 ZINC000292706109 511693320 /nfs/dbraw/zinc/69/33/20/511693320.db2.gz OJVUPUXRQBKRRK-UHFFFAOYSA-N 0 0 367.493 2.988 20 10 FFCDRN CNS(=O)(=O)c1ccc(N[C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000302448292 511708431 /nfs/dbraw/zinc/70/84/31/511708431.db2.gz SLAFILWBLMTQEN-GFCCVEGCSA-N 0 0 351.447 2.973 20 10 FFCDRN CCS(=O)(=O)c1ccc(N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000302653092 511709168 /nfs/dbraw/zinc/70/91/68/511709168.db2.gz KGJCFIJNTJDHJV-UHFFFAOYSA-N 0 0 360.479 2.815 20 10 FFCDRN COc1ccc(N2CCCN(c3cc(N4CCCC4)ncn3)CC2)cc1 ZINC000302884960 511718873 /nfs/dbraw/zinc/71/88/73/511718873.db2.gz 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COc1ccc(N2CCCN(C(=O)NCc3cnccc3OC)CC2)cc1 ZINC000366611289 512102442 /nfs/dbraw/zinc/10/24/42/512102442.db2.gz HGRKIDAWWFLTPI-UHFFFAOYSA-N 0 0 370.453 2.521 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC[C@H](C[C@H]4CCOC4)C3)cc2N1 ZINC000367365822 512463771 /nfs/dbraw/zinc/46/37/71/512463771.db2.gz SKPOJKRSZNKGLR-CHWSQXEVSA-N 0 0 361.398 2.569 20 10 FFCDRN CN(C(=O)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1)c1ccccc1 ZINC000373771857 512497925 /nfs/dbraw/zinc/49/79/25/512497925.db2.gz NZBPDDMIVZRGFN-DZZUKKPASA-N 0 0 366.417 2.623 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000376230499 512722413 /nfs/dbraw/zinc/72/24/13/512722413.db2.gz PFDMLFQDANOTMA-ROUUACIJSA-N 0 0 355.438 2.509 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000378392517 512736957 /nfs/dbraw/zinc/73/69/57/512736957.db2.gz TWXBORNIGLIBPI-HNAYVOBHSA-N 0 0 356.422 2.978 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)c1 ZINC000378392518 512737419 /nfs/dbraw/zinc/73/74/19/512737419.db2.gz TWXBORNIGLIBPI-KXBFYZLASA-N 0 0 356.422 2.978 20 10 FFCDRN CC(C)[C@H]1NC(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C1=O ZINC000378518216 512801595 /nfs/dbraw/zinc/80/15/95/512801595.db2.gz KEIURYJSOGRJND-OAHLLOKOSA-N 0 0 367.396 2.833 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](c2nccn2C)c2ccccc2F)c(O)c1O ZINC000378561896 512824884 /nfs/dbraw/zinc/82/48/84/512824884.db2.gz VJZNTNNPVCXMRR-OAHLLOKOSA-N 0 0 355.369 2.798 20 10 FFCDRN CC(C)OCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000368226337 512854254 /nfs/dbraw/zinc/85/42/54/512854254.db2.gz YYYKEDAVEXRABQ-UHFFFAOYSA-N 0 0 371.428 2.981 20 10 FFCDRN COc1cccc(-c2noc([C@@H](C)NC(=O)c3cccc(O)c3O)n2)c1 ZINC000372478796 512896104 /nfs/dbraw/zinc/89/61/04/512896104.db2.gz WPBWQSHOIPLITK-SNVBAGLBSA-N 0 0 355.350 2.647 20 10 FFCDRN Cn1cc(-c2nn(C)cc2C(=O)N2CCN(C)c3ccc(Cl)cc32)cn1 ZINC000372596037 512961405 /nfs/dbraw/zinc/96/14/05/512961405.db2.gz RVTODDBLOXMBKF-UHFFFAOYSA-N 0 0 370.844 2.571 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000376921613 513050029 /nfs/dbraw/zinc/05/00/29/513050029.db2.gz FJKQFMOMPZIZIV-LLVKDONJSA-N 0 0 372.446 2.893 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000471198624 514794664 /nfs/dbraw/zinc/79/46/64/514794664.db2.gz GOHGUJVXWWCLCW-UHFFFAOYSA-N 0 0 372.450 2.607 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)c1cnn(C(C)(C)C)c1 ZINC000471234914 514808336 /nfs/dbraw/zinc/80/83/36/514808336.db2.gz LPSMEIXWAOEOJR-UHFFFAOYSA-N 0 0 352.438 2.937 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cccnc1-n1cncn1 ZINC000471254126 514813725 /nfs/dbraw/zinc/81/37/25/514813725.db2.gz HVNZDAPVWRMDMN-UHFFFAOYSA-N 0 0 361.409 2.784 20 10 FFCDRN CCc1nn(C)c(OC)c1CNC(=O)NCc1c(C)c2ccccc2n1C ZINC000472121005 515131903 /nfs/dbraw/zinc/13/19/03/515131903.db2.gz XKJABJUBDCWJSN-UHFFFAOYSA-N 0 0 369.469 2.791 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1nc(C(F)(F)F)n[nH]1 ZINC000472172250 515155391 /nfs/dbraw/zinc/15/53/91/515155391.db2.gz MGQPENOKZLNMQL-UHFFFAOYSA-N 0 0 366.347 2.623 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCCCS(C)(=O)=O ZINC000472176001 515157152 /nfs/dbraw/zinc/15/71/52/515157152.db2.gz VODXWIYKRAHIBY-UHFFFAOYSA-N 0 0 365.499 2.501 20 10 FFCDRN CCO[C@@H]1C[C@@](CO)(NC(=O)NCc2c(C)c3ccccc3n2C)C1(C)C ZINC000472218453 515174190 /nfs/dbraw/zinc/17/41/90/515174190.db2.gz CLWHPILPWTXZRP-NQIIRXRSSA-N 0 0 373.497 2.852 20 10 FFCDRN CC(=O)Nc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)cn1 ZINC000472241726 515182611 /nfs/dbraw/zinc/18/26/11/515182611.db2.gz PSNLDIQOZXQVCJ-UHFFFAOYSA-N 0 0 365.437 2.840 20 10 FFCDRN CCOCCO[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472279437 515199455 /nfs/dbraw/zinc/19/94/55/515199455.db2.gz OSNLWDRRCDNGKL-INIZCTEOSA-N 0 0 359.470 2.824 20 10 FFCDRN COc1ccc(F)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000472797070 515402600 /nfs/dbraw/zinc/40/26/00/515402600.db2.gz YOWQXBOCWBLZKI-UHFFFAOYSA-N 0 0 369.396 2.889 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1COc2ccccc2O1 ZINC000514912788 517119857 /nfs/dbraw/zinc/11/98/57/517119857.db2.gz SZTRENIWQJWKGK-OAHLLOKOSA-N 0 0 354.406 2.708 20 10 FFCDRN CCO[C@H]1COCC[C@H]1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000546054992 517517545 /nfs/dbraw/zinc/51/75/45/517517545.db2.gz NNKPINJERXJSGW-QUCCMNQESA-N 0 0 374.481 2.828 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000527452255 517683764 /nfs/dbraw/zinc/68/37/64/517683764.db2.gz PYXWKGOYHBMTBQ-INIZCTEOSA-N 0 0 363.465 2.960 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@@H]1C1CCC1 ZINC000573006131 518463031 /nfs/dbraw/zinc/46/30/31/518463031.db2.gz OIKITTUIFAHSTO-QGZVFWFLSA-N 0 0 353.466 2.894 20 10 FFCDRN COc1cc(F)c(NS(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000592986609 520672069 /nfs/dbraw/zinc/67/20/69/520672069.db2.gz IELBCGUZMDMMPT-UHFFFAOYSA-N 0 0 369.399 2.648 20 10 FFCDRN CC(C)[C@H](NCC(F)(F)F)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000611657493 521268867 /nfs/dbraw/zinc/26/88/67/521268867.db2.gz LXCKGBCZXACZSI-HNNXBMFYSA-N 0 0 359.392 2.655 20 10 FFCDRN CC(=O)Nc1cc(F)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000631561485 523694307 /nfs/dbraw/zinc/69/43/07/523694307.db2.gz HIPHHYJFEPTBAV-UHFFFAOYSA-N 0 0 357.385 2.889 20 10 FFCDRN CC1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nnn[n-]4)o3)cc2)CC1 ZINC000820728113 599432795 /nfs/dbraw/zinc/43/27/95/599432795.db2.gz STWPUAYFSAMCFB-UHFFFAOYSA-N 0 0 352.442 2.986 20 10 FFCDRN O=C([O-])CC[N@H+](Cc1ccc(F)c(F)c1)Cc1cc2c(cc1O)OCO2 ZINC000739720363 600281704 /nfs/dbraw/zinc/28/17/04/600281704.db2.gz UEVNFIZJKYSYDR-UHFFFAOYSA-N 0 0 365.332 2.876 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c1O ZINC000825946662 601418857 /nfs/dbraw/zinc/41/88/57/601418857.db2.gz JZUGYRAXVIMPCB-AWEZNQCLSA-N 0 0 355.818 2.704 20 10 FFCDRN C[C@@H]1CN(c2ccc(C[NH2+]C3CCN(C(=O)[O-])CC3)cc2F)C[C@H](C)O1 ZINC000826082278 604180332 /nfs/dbraw/zinc/18/03/32/604180332.db2.gz LZELFXSNRRJLNW-OKILXGFUSA-N 0 0 365.449 2.671 20 10 FFCDRN C[C@@H](c1ccccc1)[N@H+](CCC(=O)NCC(=O)[O-])Cc1ccccc1O ZINC000833549230 605077315 /nfs/dbraw/zinc/07/73/15/605077315.db2.gz PLBAUQQWGFOGQP-HNNXBMFYSA-N 0 0 356.422 2.546 20 10 FFCDRN C[C@@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)NC(=O)[O-] ZINC000833805096 605847570 /nfs/dbraw/zinc/84/75/70/605847570.db2.gz MFFGUTIYLJUKFB-STQMWFEESA-N 0 0 355.866 2.873 20 10 FFCDRN COc1cc(N(C)Cc2ccc(F)c(-c3nn[nH]n3)c2)cc(OC)c1OC ZINC000821720321 606976590 /nfs/dbraw/zinc/97/65/90/606976590.db2.gz QYKBJGIEQVFOAN-UHFFFAOYSA-N 0 0 373.388 2.668 20 10 FFCDRN CCCNc1ccc(-c2nn[nH]n2)cc1NC(=O)c1ccc(C)c(O)c1O ZINC000825333327 609236787 /nfs/dbraw/zinc/23/67/87/609236787.db2.gz WASROGXAZMPYQE-UHFFFAOYSA-N 0 0 368.397 2.661 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CCSCC1 ZINC000152363868 728756981 /nfs/dbraw/zinc/75/69/81/728756981.db2.gz CUZVFVJVYMYJBE-QGZVFWFLSA-N 0 0 361.555 2.976 20 10 FFCDRN CN(C)C(=O)OC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897856165 735285026 /nfs/dbraw/zinc/28/50/26/735285026.db2.gz KCRGADWVGIQJNO-UHFFFAOYSA-N 0 0 364.423 2.615 20 10 FFCDRN Cc1cc(C(=O)NC[C@H]2CCCS2(=O)=O)c(C)n1-c1ccccc1C ZINC000154252729 728800146 /nfs/dbraw/zinc/80/01/46/728800146.db2.gz SUDZQDDCFJHGKF-MRXNPFEDSA-N 0 0 360.479 2.710 20 10 FFCDRN Cc1cc(C(=O)NC[C@H]2CCCS2(=O)=O)c(C)n1-c1ccc(F)cc1 ZINC000154345078 728802431 /nfs/dbraw/zinc/80/24/31/728802431.db2.gz UNGXGIJXDVBGRI-MRXNPFEDSA-N 0 0 364.442 2.540 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc(Cl)c1 ZINC000157463663 728872399 /nfs/dbraw/zinc/87/23/99/728872399.db2.gz DAIPDZZMQKQJTO-UHFFFAOYSA-N 0 0 355.825 2.971 20 10 FFCDRN Cn1nc(CNC(=O)NCc2cccc(Cl)c2O)cc1C(F)(F)F ZINC000898538864 735378743 /nfs/dbraw/zinc/37/87/43/735378743.db2.gz ZTSQQGXCQJPVJG-UHFFFAOYSA-N 0 0 362.739 2.797 20 10 FFCDRN C[NH+]1CCN(c2ccc(CNC(=O)/C=C\C=C(Cl)Cl)cc2)CC1 ZINC000899212910 735460395 /nfs/dbraw/zinc/46/03/95/735460395.db2.gz ZUPRBODGPIDBTF-RQOWECAXSA-N 0 0 354.281 2.930 20 10 FFCDRN Cc1cc(C(=O)O[C@@H](C)C(N)=O)c(C)n1-c1ccc(Br)cc1 ZINC000014365260 727817775 /nfs/dbraw/zinc/81/77/75/727817775.db2.gz KOLLRNWECUDMGW-NSHDSACASA-N 0 0 365.227 2.887 20 10 FFCDRN CCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1OCC ZINC000033317831 727928801 /nfs/dbraw/zinc/92/88/01/727928801.db2.gz HFWCEZSCNNPVIQ-VBKFSLOCSA-N 0 0 362.451 2.787 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)Cc3ccccc3)C2)cc1 ZINC000062575209 728133381 /nfs/dbraw/zinc/13/33/81/728133381.db2.gz ZIRLXCQPSBUNRR-KRWDZBQOSA-N 0 0 360.479 2.641 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc([S@@](C)=O)cc2)c1 ZINC000080196239 728323503 /nfs/dbraw/zinc/32/35/03/728323503.db2.gz ZJYAONYWYIVVLD-VDBVYFBLSA-N 0 0 362.451 2.699 20 10 FFCDRN COc1ccc(N2CCN([C@H](C)C(=O)NCCC(C)C)CC2)cc1F ZINC000084866916 728426491 /nfs/dbraw/zinc/42/64/91/728426491.db2.gz NRPHTCRWVPLRCN-OAHLLOKOSA-N 0 0 351.466 2.507 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1scnc1C1CC1 ZINC000089759372 728445652 /nfs/dbraw/zinc/44/56/52/728445652.db2.gz BCPQLZLNRQYZOY-UHFFFAOYSA-N 0 0 361.442 2.926 20 10 FFCDRN CCOC(=O)CN(Cc1cc(Br)cc(OC)c1O)C1CC1 ZINC000091773008 728462094 /nfs/dbraw/zinc/46/20/94/728462094.db2.gz MQYDFOGXCYGGFM-UHFFFAOYSA-N 0 0 358.232 2.691 20 10 FFCDRN COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000093610711 728476847 /nfs/dbraw/zinc/47/68/47/728476847.db2.gz RXOUESDONCPOKT-LLVKDONJSA-N 0 0 360.273 2.635 20 10 FFCDRN COc1cccc(CNC(=O)Cc2csc(-c3ccccn3)n2)c1O ZINC000105652955 728507816 /nfs/dbraw/zinc/50/78/16/728507816.db2.gz IKGSTEUQQGFPOH-UHFFFAOYSA-N 0 0 355.419 2.778 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1Cc2ccccc2S1 ZINC000108805569 728522405 /nfs/dbraw/zinc/52/24/05/728522405.db2.gz VQLPNBVMBKXDLJ-LJQANCHMSA-N 0 0 354.475 2.856 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(Br)c1[O-])C(=O)NCc1ccco1 ZINC000111399039 728536346 /nfs/dbraw/zinc/53/63/46/728536346.db2.gz FFGWXJOPDMYNLE-SNVBAGLBSA-N 0 0 353.216 2.542 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3ccc(Cl)cc32)c1 ZINC000116168068 728569960 /nfs/dbraw/zinc/56/99/60/728569960.db2.gz WKTXGVKACUXACL-UHFFFAOYSA-N 0 0 366.826 2.620 20 10 FFCDRN COc1ccc(N(C)CC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1Cl ZINC000121867969 728640702 /nfs/dbraw/zinc/64/07/02/728640702.db2.gz KRFXOAWPOSWESF-RDJZCZTQSA-N 0 0 352.862 2.955 20 10 FFCDRN C[C@@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)N1CCSCC1 ZINC000124157135 728667282 /nfs/dbraw/zinc/66/72/82/728667282.db2.gz OYVBSHOFRFUTTL-HNNXBMFYSA-N 0 0 360.479 2.951 20 10 FFCDRN O=C(NC[C@H]1CCCS1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000127045457 728705297 /nfs/dbraw/zinc/70/52/97/728705297.db2.gz VCDYVPHYMPTQIX-HZPDHXFCSA-N 0 0 350.484 2.978 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000129137698 728710457 /nfs/dbraw/zinc/71/04/57/728710457.db2.gz SKTPDRUHIVFDIW-UHFFFAOYSA-N 0 0 369.389 2.590 20 10 FFCDRN Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000134610261 728731360 /nfs/dbraw/zinc/73/13/60/728731360.db2.gz CNAWWCBYPMEAKB-LLVKDONJSA-N 0 0 362.813 2.746 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Cl)c1 ZINC000134614070 728731479 /nfs/dbraw/zinc/73/14/79/728731479.db2.gz STRHPGVPCZNFDO-LLVKDONJSA-N 0 0 362.813 2.746 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@](C)(O)CSC)c2C)cc1 ZINC000151075844 728744213 /nfs/dbraw/zinc/74/42/13/728744213.db2.gz DMQCQSCBEGDHDK-LJQANCHMSA-N 0 0 362.495 2.947 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cn(Cc3cccs3)nn2)c1 ZINC000173132318 729040726 /nfs/dbraw/zinc/04/07/26/729040726.db2.gz YWPNIDBZPISWDN-LLVKDONJSA-N 0 0 358.423 2.593 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000751318641 735863739 /nfs/dbraw/zinc/86/37/39/735863739.db2.gz NLUNUTQTIVUDOL-NSHDSACASA-N 0 0 366.395 2.657 20 10 FFCDRN COCCc1nsc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000176819438 729120867 /nfs/dbraw/zinc/12/08/67/729120867.db2.gz ZPILACCGVJFCRY-UHFFFAOYSA-N 0 0 362.499 2.548 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H](CO)Cc1ccccc1 ZINC000177854814 729148171 /nfs/dbraw/zinc/14/81/71/729148171.db2.gz DFZUGXPGXFMAMU-CQSZACIVSA-N 0 0 351.497 2.528 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCC[C@H]1CCO ZINC000180396141 729213179 /nfs/dbraw/zinc/21/31/79/729213179.db2.gz BYLJYVXTULFVKR-SFHVURJKSA-N 0 0 363.527 2.686 20 10 FFCDRN CCS(=O)(=O)c1cc(F)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000182807554 729288332 /nfs/dbraw/zinc/28/83/32/729288332.db2.gz KWBOGBZAVVGWPG-UHFFFAOYSA-N 0 0 366.414 2.989 20 10 FFCDRN CN(C)c1ccc(CN2CCN(c3nnc(C(F)(F)F)s3)CC2)cc1 ZINC000188664109 729390486 /nfs/dbraw/zinc/39/04/86/729390486.db2.gz OAJNHRMWXXNNGW-UHFFFAOYSA-N 0 0 371.432 2.945 20 10 FFCDRN CCc1nc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)sc1C ZINC000192628030 729454280 /nfs/dbraw/zinc/45/42/80/729454280.db2.gz ZOQZFQFNCBGZPL-UHFFFAOYSA-N 0 0 360.483 2.677 20 10 FFCDRN COCC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756586754 736345322 /nfs/dbraw/zinc/34/53/22/736345322.db2.gz UCVTXVSHGSBZSB-XPTSAGLGSA-N 0 0 350.228 2.732 20 10 FFCDRN COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756682951 736352086 /nfs/dbraw/zinc/35/20/86/736352086.db2.gz BWGKYDILJFINJP-NSHDSACASA-N 0 0 350.365 2.760 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc([S@](C)=O)cc2)c1 ZINC000756698478 736352837 /nfs/dbraw/zinc/35/28/37/736352837.db2.gz PMPACFZIDOBZFA-YDBLSZJJSA-N 0 0 362.451 2.699 20 10 FFCDRN COc1ccc2ccc(O)c(CN3CCC(C)(C)S(=O)(=O)CC3)c2c1 ZINC000193385050 729476848 /nfs/dbraw/zinc/47/68/48/729476848.db2.gz LHMMLTPDXDUSEU-UHFFFAOYSA-N 0 0 363.479 2.953 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC000194068882 729498836 /nfs/dbraw/zinc/49/88/36/729498836.db2.gz LGGGKXLDMWEDRP-HNNXBMFYSA-N 0 0 357.420 2.985 20 10 FFCDRN Nc1ccc(CC(=O)N2CCN(Cc3ccc(F)cc3Cl)CC2)cc1 ZINC000237891779 729564753 /nfs/dbraw/zinc/56/47/53/729564753.db2.gz SQYSNUZLIQNGEX-UHFFFAOYSA-N 0 0 361.848 2.948 20 10 FFCDRN C[C@@H]([NH2+]Cc1cc(C(N)=O)co1)c1cc(Br)c(F)cc1[O-] ZINC000779069595 738433778 /nfs/dbraw/zinc/43/37/78/738433778.db2.gz WAQDECXRZCPVQT-SSDOTTSWSA-N 0 0 357.179 2.837 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1CC2(CC2(F)F)C1 ZINC000856209624 730316133 /nfs/dbraw/zinc/31/61/33/730316133.db2.gz VAVKBEVBVPDUNW-UHFFFAOYSA-N 0 0 350.409 2.699 20 10 FFCDRN C[C@@H]1[C@H](C)N(C(=O)C2=CC(=O)CS2)CCN1C(=O)C1=CC(=O)CS1 ZINC000856338197 730326950 /nfs/dbraw/zinc/32/69/50/730326950.db2.gz BFLPXRXNLJRBMU-AOOOYVTPSA-N 0 0 366.464 2.596 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000779498410 738468078 /nfs/dbraw/zinc/46/80/78/738468078.db2.gz QXMZPZDTZDINAK-RQOWECAXSA-N 0 0 361.781 2.852 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(Br)c[nH]c2=O)cc1 ZINC000856738992 730352633 /nfs/dbraw/zinc/35/26/33/730352633.db2.gz MBCNFDGNVJUZOB-UHFFFAOYSA-N 0 0 364.243 2.888 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCC[C@@H]3CC3(F)F)CC2)cc1 ZINC000856883233 730363987 /nfs/dbraw/zinc/36/39/87/730363987.db2.gz FETHANACKRFWHR-CQSZACIVSA-N 0 0 353.413 2.962 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(Br)c[nH]c1=O ZINC000857127236 730379846 /nfs/dbraw/zinc/37/98/46/730379846.db2.gz NPRZBJBYVWKKPW-UHFFFAOYSA-N 0 0 364.243 2.854 20 10 FFCDRN CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1c(F)ccc(O)c1O ZINC000857301124 730389965 /nfs/dbraw/zinc/38/99/65/730389965.db2.gz NQDAQJYCKAXWIG-UHFFFAOYSA-N 0 0 356.394 2.612 20 10 FFCDRN C[C@@H]1C[C@H](CO)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000858154755 730418009 /nfs/dbraw/zinc/41/80/09/730418009.db2.gz QIHYVVDMSUOMLT-NVXWUHKLSA-N 0 0 363.527 2.542 20 10 FFCDRN CCc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000858626052 730430333 /nfs/dbraw/zinc/43/03/33/730430333.db2.gz LURKLDDCZMJYCU-UHFFFAOYSA-N 0 0 366.824 2.531 20 10 FFCDRN CCC(F)(F)C(C)(C)CS(=O)(=O)NCc1cccc(OC)c1O ZINC000859006625 730439299 /nfs/dbraw/zinc/43/92/99/730439299.db2.gz QFEFNLZFOFENBN-UHFFFAOYSA-N 0 0 351.415 2.892 20 10 FFCDRN O=C(COCC(F)F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000859098498 730441798 /nfs/dbraw/zinc/44/17/98/730441798.db2.gz KHOWXVYFAPZBIH-UHFFFAOYSA-N 0 0 364.339 2.655 20 10 FFCDRN O=C(NCCCSc1nccs1)c1ccn(C2CCOCC2)n1 ZINC000859352849 730451460 /nfs/dbraw/zinc/45/14/60/730451460.db2.gz WAMDROPQNUDVES-UHFFFAOYSA-N 0 0 352.485 2.603 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)CC(=O)NCC(F)(F)F)cc1 ZINC000779646330 738474393 /nfs/dbraw/zinc/47/43/93/738474393.db2.gz NKIYPNOJCLAGJF-UHFFFAOYSA-N 0 0 359.392 2.560 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C(=O)Nc2nc(CC(F)(F)F)cs2)c1 ZINC000862024837 730662310 /nfs/dbraw/zinc/66/23/10/730662310.db2.gz ILKKUJJLLGRZEQ-UHFFFAOYSA-N 0 0 373.356 2.517 20 10 FFCDRN CCN(Cc1c(O)cccc1Br)[C@H](C)CS(=O)(=O)CC ZINC000862245304 730681006 /nfs/dbraw/zinc/68/10/06/730681006.db2.gz MPMHYUDJWBUOJW-LLVKDONJSA-N 0 0 364.305 2.800 20 10 FFCDRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCc1cc(C)ccc1O ZINC000862757895 730723704 /nfs/dbraw/zinc/72/37/04/730723704.db2.gz HWDDNEKIIABYJJ-UHFFFAOYSA-N 0 0 355.360 2.935 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000862993436 730740324 /nfs/dbraw/zinc/74/03/24/730740324.db2.gz TWJWJWRUBFZXLA-CRAIPNDOSA-N 0 0 360.479 2.708 20 10 FFCDRN Cc1cc(CNC(=O)CS(=O)(=O)C(C)C)c(C)n1-c1cccc(C)c1 ZINC000863160868 730753116 /nfs/dbraw/zinc/75/31/16/730753116.db2.gz CTNXZIOFSQRYLO-UHFFFAOYSA-N 0 0 362.495 2.842 20 10 FFCDRN CC1=C(C(=O)OC(C)C)[C@H](c2cc(F)c(N(C)C)cc2F)NC(=O)N1 ZINC000863391269 730775270 /nfs/dbraw/zinc/77/52/70/730775270.db2.gz IBXRGQFOYMOCCH-HNNXBMFYSA-N 0 0 353.369 2.610 20 10 FFCDRN [NH3+]C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1C(F)(F)F ZINC000863646970 730798569 /nfs/dbraw/zinc/79/85/69/730798569.db2.gz TYAWLTBOJSBFNO-KOLCDFICSA-N 0 0 367.755 2.913 20 10 FFCDRN Cc1cc(S(N)(=O)=O)cc(NCc2cc(F)c(N(C)C)cc2F)c1C ZINC000863985931 730819211 /nfs/dbraw/zinc/81/92/11/730819211.db2.gz RIKKEEAAEUDSKW-UHFFFAOYSA-N 0 0 369.437 2.907 20 10 FFCDRN COC1(C[C@@H]([NH2+]Cc2c(O)cccc2Br)C(=O)[O-])CCC1 ZINC000864517489 730855790 /nfs/dbraw/zinc/85/57/90/730855790.db2.gz WOGYUBKQWOPIDK-GFCCVEGCSA-N 0 0 358.232 2.657 20 10 FFCDRN COC(=O)Cc1sccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000865050995 730906600 /nfs/dbraw/zinc/90/66/00/730906600.db2.gz GPXLAOIJIHVWLM-UHFFFAOYSA-N 0 0 350.415 2.599 20 10 FFCDRN COC(=O)c1cnc(S[C@H](C(=O)OC)c2cccc(OC)c2)s1 ZINC000865368661 730946972 /nfs/dbraw/zinc/94/69/72/730946972.db2.gz DBUCLFPWBQHOOP-LBPRGKRZSA-N 0 0 353.421 2.945 20 10 FFCDRN COc1ccc(N2CC[C@@H](Nc3ccnc(-c4nccs4)n3)C2)cc1 ZINC000865931794 731012469 /nfs/dbraw/zinc/01/24/69/731012469.db2.gz JHODSDJGHCDQLY-CYBMUJFWSA-N 0 0 353.451 2.721 20 10 FFCDRN C[C@H]([NH2+]C[C@]12COC(=O)N1CCOC2)c1cc(Cl)c(Cl)cc1[O-] ZINC000866522668 731070061 /nfs/dbraw/zinc/07/00/61/731070061.db2.gz YIQXUJSOBHQZGO-VFZGTOFNSA-N 0 0 361.225 2.571 20 10 FFCDRN O=C(CCc1nnc(C(F)F)o1)NCc1c(O)ccc2c1CCCC2 ZINC000866770389 731097459 /nfs/dbraw/zinc/09/74/59/731097459.db2.gz WKLZDKZTURULRM-UHFFFAOYSA-N 0 0 351.353 2.841 20 10 FFCDRN CC(C)C1(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000866829257 731105827 /nfs/dbraw/zinc/10/58/27/731105827.db2.gz RIHHKNDOMVOFAI-MRXNPFEDSA-N 0 0 353.484 2.892 20 10 FFCDRN CC(C)C1(S(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000866835090 731106541 /nfs/dbraw/zinc/10/65/41/731106541.db2.gz UQWHHMOJLOKMLC-UHFFFAOYSA-N 0 0 366.527 2.503 20 10 FFCDRN O=C(/C=C\COC1CCOCC1)NCc1cccc(Br)c1O ZINC000867830763 731231698 /nfs/dbraw/zinc/23/16/98/731231698.db2.gz IIVRKJKQBHDDPF-DJWKRKHSSA-N 0 0 370.243 2.523 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1O ZINC000867834993 731232056 /nfs/dbraw/zinc/23/20/56/731232056.db2.gz YQLCKHYHJJMDFJ-CYBMUJFWSA-N 0 0 360.435 2.559 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H]3C[C@H]3C(F)(F)F)C2)cc1 ZINC000868720425 731323641 /nfs/dbraw/zinc/32/36/41/731323641.db2.gz LNRFBGGOQRKSRL-NILFDRSVSA-N 0 0 357.376 2.772 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2nn(C)cc2C(F)F)c1 ZINC000869108816 731364482 /nfs/dbraw/zinc/36/44/82/731364482.db2.gz COBNUUJACPRPGH-VIFPVBQESA-N 0 0 354.357 2.632 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCCn2nccc21 ZINC000869219629 731376019 /nfs/dbraw/zinc/37/60/19/731376019.db2.gz ZRICMYZALABZNJ-LBPRGKRZSA-N 0 0 365.231 2.686 20 10 FFCDRN Cc1nc(CN2CCC(C(=O)N3Cc4cccc(O)c4C3)CC2)cs1 ZINC000871200816 731605744 /nfs/dbraw/zinc/60/57/44/731605744.db2.gz JHTGMDTXHYJXRH-UHFFFAOYSA-N 0 0 357.479 2.912 20 10 FFCDRN CC(=O)C1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000872843871 731840873 /nfs/dbraw/zinc/84/08/73/731840873.db2.gz QENJEQPIVGYQDE-UHFFFAOYSA-N 0 0 361.511 2.750 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1ccns1)c1ccc(N2CCOCC2)cc1 ZINC000875157516 732131748 /nfs/dbraw/zinc/13/17/48/732131748.db2.gz JEKLWTBUDLUDGZ-AWEZNQCLSA-N 0 0 360.483 2.882 20 10 FFCDRN Cc1scc(CNC(=O)C(=O)NCCCSc2nccs2)c1C ZINC000875221159 732136195 /nfs/dbraw/zinc/13/61/95/732136195.db2.gz VATFZTXILLRBBM-UHFFFAOYSA-N 0 0 369.537 2.736 20 10 FFCDRN CS[C@H]1C[C@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000876062179 732212668 /nfs/dbraw/zinc/21/26/68/732212668.db2.gz NFMDNIWWKUYAKX-BZUAXINKSA-N 0 0 350.484 2.977 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000780937335 738589688 /nfs/dbraw/zinc/58/96/88/738589688.db2.gz VLZHNLNOPYZRDP-BXUZGUMPSA-N 0 0 350.415 2.587 20 10 FFCDRN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@@H](O)c1c(F)cccc1F ZINC000780983491 738591710 /nfs/dbraw/zinc/59/17/10/738591710.db2.gz HMIUDUBWGYNSKQ-CXAGYDPISA-N 0 0 351.349 2.926 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)Nc2nccs2)c(O)c1O ZINC000781014007 738593625 /nfs/dbraw/zinc/59/36/25/738593625.db2.gz GNXAMLGNVZJVDO-LBPRGKRZSA-N 0 0 363.439 2.646 20 10 FFCDRN O=C(NCC[C@@H]1CC[C@@H](C(F)(F)F)O1)NCc1c(O)cccc1F ZINC000926298033 738594468 /nfs/dbraw/zinc/59/44/68/738594468.db2.gz KUTYMCWTDSOJKY-ZANVPECISA-N 0 0 350.312 2.831 20 10 FFCDRN Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877409148 732358728 /nfs/dbraw/zinc/35/87/28/732358728.db2.gz YRSSFCSHUJGRLW-GFCCVEGCSA-N 0 0 355.406 2.931 20 10 FFCDRN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877409149 732358813 /nfs/dbraw/zinc/35/88/13/732358813.db2.gz YRSSFCSHUJGRLW-LBPRGKRZSA-N 0 0 355.406 2.931 20 10 FFCDRN O=C1[C@@H]([NH2+]Cc2ccc(F)c(F)c2[O-])CCN1Cc1ccc(F)cc1 ZINC000877473969 732367970 /nfs/dbraw/zinc/36/79/70/732367970.db2.gz PGOFOGGXSWOBTO-HNNXBMFYSA-N 0 0 350.340 2.700 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000877692214 732414970 /nfs/dbraw/zinc/41/49/70/732414970.db2.gz VXBRZNGOIMQGRS-UHFFFAOYSA-N 0 0 358.276 2.502 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1[O-] ZINC000877693859 732415130 /nfs/dbraw/zinc/41/51/30/732415130.db2.gz SOPUGRHFMRTLRT-WCBMZHEXSA-N 0 0 354.712 2.556 20 10 FFCDRN COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877833766 732443596 /nfs/dbraw/zinc/44/35/96/732443596.db2.gz YBPAOANVSVETIW-DYZYQPBXSA-N 0 0 353.365 2.899 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cc(C(F)F)n[nH]3)CC2)cc1 ZINC000878633309 732569453 /nfs/dbraw/zinc/56/94/53/732569453.db2.gz QVXGARUCXIBJQT-UHFFFAOYSA-N 0 0 350.369 2.755 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000781396159 738623794 /nfs/dbraw/zinc/62/37/94/738623794.db2.gz JKXXDZOBWSVRTF-PZBABLGHSA-N 0 0 356.325 2.989 20 10 FFCDRN Cc1cc(CN2CC[C@H]3CS(=O)(=O)C[C@@H]3C2)ccc1N1CCCCC1 ZINC000879935788 732805706 /nfs/dbraw/zinc/80/57/06/732805706.db2.gz BYSHFGPDMAZXLZ-OALUTQOASA-N 0 0 362.539 2.852 20 10 FFCDRN CCOC(=O)[C@H]1CSCCN1Cc1cc(C)cc(Br)c1O ZINC000781894032 738668827 /nfs/dbraw/zinc/66/88/27/738668827.db2.gz DKAPTHCFWSVRJW-CYBMUJFWSA-N 0 0 374.300 2.944 20 10 FFCDRN CN(c1nc(Cn2cc(COc3ccc(N)cc3)nn2)cs1)C1CC1 ZINC000881356409 733044160 /nfs/dbraw/zinc/04/41/60/733044160.db2.gz FFGOQMKUUCJWQK-UHFFFAOYSA-N 0 0 356.455 2.543 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)Cc2cc(F)ccc2OC)c1 ZINC000881919624 733136788 /nfs/dbraw/zinc/13/67/88/733136788.db2.gz QREUGHQFNITECB-NSHDSACASA-N 0 0 369.414 2.729 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cnn(C)c2C(F)(F)F)cc1F ZINC000782097551 738688568 /nfs/dbraw/zinc/68/85/68/738688568.db2.gz BOTIVYPUIRWQHD-UHFFFAOYSA-N 0 0 359.327 2.966 20 10 FFCDRN CCS(=O)(=O)CCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883146749 733342268 /nfs/dbraw/zinc/34/22/68/733342268.db2.gz XQOWUPTZNCSENB-UHFFFAOYSA-N 0 0 370.696 2.723 20 10 FFCDRN O=S1(=O)CCCN1Cc1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000883164690 733345070 /nfs/dbraw/zinc/34/50/70/733345070.db2.gz MDBNWPPMCCQDBS-UHFFFAOYSA-N 0 0 368.405 2.818 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccccc2-c2ccno2)c1O ZINC000782465222 738723892 /nfs/dbraw/zinc/72/38/92/738723892.db2.gz YNIXUFCZQPACNG-UHFFFAOYSA-N 0 0 360.391 2.534 20 10 FFCDRN Cc1cscc1CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000673314729 733602224 /nfs/dbraw/zinc/60/22/24/733602224.db2.gz SQNYCJBSGQNBKX-UHFFFAOYSA-N 0 0 355.463 2.789 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cccc(Br)c3[O-])O2)CO1 ZINC000886333917 733775068 /nfs/dbraw/zinc/77/50/68/733775068.db2.gz OLKHMFIQHWNENY-FFSVYQOJSA-N 0 0 356.260 2.971 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886771092 733830259 /nfs/dbraw/zinc/83/02/59/733830259.db2.gz CDALDHZMMXRSRB-FRTWLMODSA-N 0 0 350.415 2.924 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn(CC(F)(F)F)c1 ZINC000682508509 734078422 /nfs/dbraw/zinc/07/84/22/734078422.db2.gz OBCMKROMEKSZSJ-UHFFFAOYSA-N 0 0 354.332 2.551 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cncc(Cl)c2)cc1 ZINC000889848962 734234501 /nfs/dbraw/zinc/23/45/01/734234501.db2.gz YVCDNYTZXNKCOH-UHFFFAOYSA-N 0 0 360.845 2.836 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000890757727 734336356 /nfs/dbraw/zinc/33/63/56/734336356.db2.gz JMQPFMQZRNNWPE-CQSZACIVSA-N 0 0 365.861 2.590 20 10 FFCDRN O=C(NC1CCC(C(=O)NCc2cccc(Cl)c2O)CC1)C1CC1 ZINC000890759841 734336857 /nfs/dbraw/zinc/33/68/57/734336857.db2.gz RZCXYCPBSLKOST-UHFFFAOYSA-N 0 0 350.846 2.747 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000890762835 734337111 /nfs/dbraw/zinc/33/71/11/734337111.db2.gz KGSMIOZKXWOMDU-OAHLLOKOSA-N 0 0 358.825 2.824 20 10 FFCDRN CO[C@]1(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCOC1 ZINC000708111477 734362587 /nfs/dbraw/zinc/36/25/87/734362587.db2.gz SAMDTJRTTBMVIH-ZDUSSCGKSA-N 0 0 350.640 2.703 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724593333 734386898 /nfs/dbraw/zinc/38/68/98/734386898.db2.gz XZAJRGIHEJSLNU-XWIASGKRSA-N 0 0 362.651 2.702 20 10 FFCDRN CCOCCS(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000725818774 734393247 /nfs/dbraw/zinc/39/32/47/734393247.db2.gz AMQHNULKKFQTKN-UHFFFAOYSA-N 0 0 350.484 2.593 20 10 FFCDRN O=S1(=O)CCN(c2ccc(CNc3ncnc4ccsc43)cc2)CC1 ZINC000726968133 734456579 /nfs/dbraw/zinc/45/65/79/734456579.db2.gz TYBYRDZBYBUBGK-UHFFFAOYSA-N 0 0 374.491 2.538 20 10 FFCDRN CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000727985311 734510543 /nfs/dbraw/zinc/51/05/43/734510543.db2.gz FAQIIGLZOHYXES-ZRBJYGNNSA-N 0 0 361.511 2.627 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cnn2ccccc12 ZINC000731870087 734702065 /nfs/dbraw/zinc/70/20/65/734702065.db2.gz BQJQUOOAMPUEDB-UHFFFAOYSA-N 0 0 352.463 2.818 20 10 FFCDRN O=C(COC(=O)C1=CC(=O)CS1)Nc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000731909194 734704962 /nfs/dbraw/zinc/70/49/62/734704962.db2.gz CFVQBFILCXEOMD-UHFFFAOYSA-N 0 0 356.743 2.811 20 10 FFCDRN Cc1n[nH]cc1S(=O)(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000732218041 734724798 /nfs/dbraw/zinc/72/47/98/734724798.db2.gz IWXHIEZNTRYTFR-UHFFFAOYSA-N 0 0 362.499 2.966 20 10 FFCDRN O=C(Nc1ccc(-n2ncc3c2nc[nH]c3=O)cc1)C1=CC(=O)CS1 ZINC000732268463 734728985 /nfs/dbraw/zinc/72/89/85/734728985.db2.gz HYZFFNOYCRITJQ-UHFFFAOYSA-N 0 0 353.363 2.541 20 10 FFCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000732272944 734729205 /nfs/dbraw/zinc/72/92/05/734729205.db2.gz UAPGFXKGIILPPL-LLVKDONJSA-N 0 0 360.435 2.602 20 10 FFCDRN C[C@@H](Cc1c(F)cccc1F)NC(=O)COC(=O)C1=CC(=O)CS1 ZINC000732353081 734736412 /nfs/dbraw/zinc/73/64/12/734736412.db2.gz CKWUWAQEBVWEMI-VIFPVBQESA-N 0 0 355.362 2.636 20 10 FFCDRN Cc1ccc(SCCNC(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC000732354154 734736887 /nfs/dbraw/zinc/73/68/87/734736887.db2.gz FLJNPVWBZOUNLU-UHFFFAOYSA-N 0 0 351.449 2.827 20 10 FFCDRN CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000732446100 734742134 /nfs/dbraw/zinc/74/21/34/734742134.db2.gz XFWFMBSPTYCUGX-CQSZACIVSA-N 0 0 355.500 2.707 20 10 FFCDRN CCC[C@](C)(O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000732888147 734773075 /nfs/dbraw/zinc/77/30/75/734773075.db2.gz WITJYAREQOHTPD-SFHVURJKSA-N 0 0 351.516 2.590 20 10 FFCDRN COc1ccc(OC(F)F)c(/C=C2\SC(N3CCOCC3)=NC2=O)c1 ZINC000732926818 734776957 /nfs/dbraw/zinc/77/69/57/734776957.db2.gz VLPBGMMGCZHFDB-LCYFTJDESA-N 0 0 370.377 2.599 20 10 FFCDRN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000733291804 734804650 /nfs/dbraw/zinc/80/46/50/734804650.db2.gz OFXSOIBHQTXDGK-GFCCVEGCSA-N 0 0 366.458 2.786 20 10 FFCDRN CCCCC(=O)N1CSC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000733973904 734864953 /nfs/dbraw/zinc/86/49/53/734864953.db2.gz FBDWJYUCJRXNEA-GFCCVEGCSA-N 0 0 373.569 2.833 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000733972935 734865043 /nfs/dbraw/zinc/86/50/43/734865043.db2.gz OGYXZCYEEBMVML-CYBMUJFWSA-N 0 0 367.540 2.923 20 10 FFCDRN COC(=O)Cc1csc(NC(=O)NCCCSc2nccs2)n1 ZINC000734513253 734901512 /nfs/dbraw/zinc/90/15/12/734901512.db2.gz WTSJYOGOKDDMFX-UHFFFAOYSA-N 0 0 372.497 2.619 20 10 FFCDRN CCn1nc(C(=O)NCCCSc2nccs2)c(=O)c2ccccc21 ZINC000735663070 734955109 /nfs/dbraw/zinc/95/51/09/734955109.db2.gz XESSNSXFZLKAII-UHFFFAOYSA-N 0 0 374.491 2.785 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000895073750 734960332 /nfs/dbraw/zinc/96/03/32/734960332.db2.gz JWFWHOHIXVGUDE-LBPRGKRZSA-N 0 0 367.222 2.770 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NC(C)(C)CSC)C2)cc1 ZINC000895437247 735005916 /nfs/dbraw/zinc/00/59/16/735005916.db2.gz XRCWNZZKYKSBKZ-CQSZACIVSA-N 0 0 351.516 2.962 20 10 FFCDRN Cc1ncc2c(n1)CC[C@H](NC(=O)c1cc3cc(O)c(O)cc3s1)C2 ZINC000895609306 735031361 /nfs/dbraw/zinc/03/13/61/735031361.db2.gz KCGPZYWKPDOUOY-LBPRGKRZSA-N 0 0 355.419 2.698 20 10 FFCDRN CC(C)C(=O)N1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895647745 735036308 /nfs/dbraw/zinc/03/63/08/735036308.db2.gz YMKVVDOXAIXPHE-UHFFFAOYSA-N 0 0 362.451 2.689 20 10 FFCDRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896377481 735148647 /nfs/dbraw/zinc/14/86/47/735148647.db2.gz LDXVRLRRVKYOBN-ZYHUDNBSSA-N 0 0 362.451 2.689 20 10 FFCDRN C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC1(C)OCCO1 ZINC000896521934 735172568 /nfs/dbraw/zinc/17/25/68/735172568.db2.gz XOQBXLBGQZHAPR-SNVBAGLBSA-N 0 0 351.424 2.832 20 10 FFCDRN [O-]c1cccc(F)c1C[NH2+]Cc1sc(N2CCOCC2)nc1Cl ZINC000896638990 735177529 /nfs/dbraw/zinc/17/75/29/735177529.db2.gz SJBHNDYNWXXSGI-UHFFFAOYSA-N 0 0 357.838 2.768 20 10 FFCDRN O=C(NCc1nc2c(s1)COCC2)NCc1cccc(Cl)c1O ZINC000896748103 735182259 /nfs/dbraw/zinc/18/22/59/735182259.db2.gz RVIPKCPMNQGMRF-UHFFFAOYSA-N 0 0 353.831 2.574 20 10 FFCDRN Cn1cc(C[C@@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)cn1 ZINC000896800956 735184007 /nfs/dbraw/zinc/18/40/07/735184007.db2.gz UYRGOICYUFGETH-NSHDSACASA-N 0 0 357.435 2.751 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@@]12CCCO2 ZINC000897390877 735227978 /nfs/dbraw/zinc/22/79/78/735227978.db2.gz XBUOQCDYARPIIG-JZXOWHBKSA-N 0 0 363.435 2.769 20 10 FFCDRN Cc1cc(Br)cc(CN2CCO[C@H](c3ccnn3C)C2)c1O ZINC000897558241 735247675 /nfs/dbraw/zinc/24/76/75/735247675.db2.gz GUJNXWCCQMNQFK-HNNXBMFYSA-N 0 0 366.259 2.770 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000897561631 735248420 /nfs/dbraw/zinc/24/84/20/735248420.db2.gz ABJKNMNFBSCKJM-OAHLLOKOSA-N 0 0 366.259 2.770 20 10 FFCDRN O=C(NCCOCC(F)(F)C(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000897576343 735251173 /nfs/dbraw/zinc/25/11/73/735251173.db2.gz IRKIOGVYZLVWJC-UHFFFAOYSA-N 0 0 367.320 2.959 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1 ZINC000742893874 735261331 /nfs/dbraw/zinc/26/13/31/735261331.db2.gz ZPOCHMOFYYCGQT-SGIREYDYSA-N 0 0 357.479 2.895 20 10 FFCDRN CC(=O)NCC[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897769777 735275735 /nfs/dbraw/zinc/27/57/35/735275735.db2.gz FJUFFFWCPGUBLU-GFCCVEGCSA-N 0 0 362.451 2.691 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C(N)=O)o1 ZINC000747422287 735563252 /nfs/dbraw/zinc/56/32/52/735563252.db2.gz VDOWLFURWOPBDB-UHFFFAOYSA-N 0 0 367.199 2.509 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H](O)COCC(C)C ZINC000748407945 735643427 /nfs/dbraw/zinc/64/34/27/735643427.db2.gz WFUBWUAYWOMMRV-OAHLLOKOSA-N 0 0 350.484 2.919 20 10 FFCDRN Cc1cc(C(=O)NCc2cn[nH]n2)c(C)n1-c1ccc(Br)cc1 ZINC000749188167 735703069 /nfs/dbraw/zinc/70/30/69/735703069.db2.gz GCQQQIIALRFPGN-UHFFFAOYSA-N 0 0 374.242 2.905 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C(F)F)n[nH]1 ZINC000901325987 735767523 /nfs/dbraw/zinc/76/75/23/735767523.db2.gz CKVKQHGRMVEVHS-UHFFFAOYSA-N 0 0 373.743 2.522 20 10 FFCDRN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)N(C)Cc1ccccc1O ZINC000750438791 735792199 /nfs/dbraw/zinc/79/21/99/735792199.db2.gz GYKVMOCYRJAOSF-ZDUSSCGKSA-N 0 0 351.447 2.694 20 10 FFCDRN O=C(COCc1nc2ccccc2s1)NCCc1ccc(O)c(O)c1 ZINC000750795113 735815311 /nfs/dbraw/zinc/81/53/11/735815311.db2.gz NBQNTCCHWRLXPV-UHFFFAOYSA-N 0 0 358.419 2.583 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1O ZINC000751305105 735862465 /nfs/dbraw/zinc/86/24/65/735862465.db2.gz JOXKWKKSCXBEFB-UHFFFAOYSA-N 0 0 363.435 2.718 20 10 FFCDRN CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000752094606 735956755 /nfs/dbraw/zinc/95/67/55/735956755.db2.gz RPWHTULXRYDWBB-IRXDYDNUSA-N 0 0 350.434 2.955 20 10 FFCDRN COc1cccc(S(=O)(=O)CCN(C)c2ccc(OC)cc2OC)c1 ZINC000752109413 735957715 /nfs/dbraw/zinc/95/77/15/735957715.db2.gz HCWRPFUWPVQJGZ-UHFFFAOYSA-N 0 0 365.451 2.623 20 10 FFCDRN Cc1ccsc1[C@@H](CO)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000752917170 736023034 /nfs/dbraw/zinc/02/30/34/736023034.db2.gz VCPHJMWEYNVVED-CQSZACIVSA-N 0 0 351.447 2.794 20 10 FFCDRN CCOC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCCOC1 ZINC000754259132 736141144 /nfs/dbraw/zinc/14/11/44/736141144.db2.gz GSKIYSBKKQNYKZ-WBMJQRKESA-N 0 0 369.845 2.696 20 10 FFCDRN Cc1ccncc1/C=C/C(=O)N1CCOc2ncc(Br)cc21 ZINC000754811345 736202278 /nfs/dbraw/zinc/20/22/78/736202278.db2.gz RFRUNTLAPKSIGL-NSCUHMNNSA-N 0 0 360.211 2.986 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2nnc(-c3cscn3)o2)cc1 ZINC000904439492 736251871 /nfs/dbraw/zinc/25/18/71/736251871.db2.gz HGWBRTRLWXTDFI-UHFFFAOYSA-N 0 0 357.439 2.969 20 10 FFCDRN COC[C@@H](CCO)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000756002423 736298243 /nfs/dbraw/zinc/29/82/43/736298243.db2.gz YXYJORMYSQXBCP-QGZVFWFLSA-N 0 0 364.873 2.804 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000756072375 736304681 /nfs/dbraw/zinc/30/46/81/736304681.db2.gz QUKQBCVJQNIUHO-RYUDHWBXSA-N 0 0 352.431 2.743 20 10 FFCDRN CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756410314 736328813 /nfs/dbraw/zinc/32/88/13/736328813.db2.gz GNTSQEOXZYVVNH-LLVKDONJSA-N 0 0 362.442 2.525 20 10 FFCDRN C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756419640 736329582 /nfs/dbraw/zinc/32/95/82/736329582.db2.gz WCNJVKJMVDPRSD-MNOVXSKESA-N 0 0 361.255 2.665 20 10 FFCDRN COC1CCN(C(C)(C)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756552658 736342057 /nfs/dbraw/zinc/34/20/57/736342057.db2.gz MMBZPSGZFVSYHZ-ZDUSSCGKSA-N 0 0 351.447 2.840 20 10 FFCDRN CC(C)N1C[C@@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1=O ZINC000756737389 736357162 /nfs/dbraw/zinc/35/71/62/736357162.db2.gz LQUNCQUKQVOAFW-UWVGGRQHSA-N 0 0 359.239 2.954 20 10 FFCDRN C[C@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756758017 736358956 /nfs/dbraw/zinc/35/89/56/736358956.db2.gz DPMDOQURCSLTCJ-JTQLQIEISA-N 0 0 362.239 2.734 20 10 FFCDRN C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756768326 736360209 /nfs/dbraw/zinc/36/02/09/736360209.db2.gz CPMKKCKMJZJJOW-AMIZOPFISA-N 0 0 350.640 2.610 20 10 FFCDRN O=C1NCCc2ccc(C[NH2+]Cc3cccc(Br)c3[O-])cc21 ZINC000757945608 736438042 /nfs/dbraw/zinc/43/80/42/736438042.db2.gz ZKPAHGCUULXJHP-UHFFFAOYSA-N 0 0 361.239 2.730 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nc(Cl)ccc1F ZINC000758160368 736457082 /nfs/dbraw/zinc/45/70/82/736457082.db2.gz ZUBUWWPSEIJTDY-UHFFFAOYSA-N 0 0 363.820 2.983 20 10 FFCDRN C[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H](C(F)(F)F)O1 ZINC000759602348 736580096 /nfs/dbraw/zinc/58/00/96/736580096.db2.gz SZCMMAFJYQBMNE-ZJUUUORDSA-N 0 0 369.434 2.987 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(N2CCCCC2)n1 ZINC000907274071 736604889 /nfs/dbraw/zinc/60/48/89/736604889.db2.gz OJOAZJCOHWYZFB-GFCCVEGCSA-N 0 0 361.467 2.906 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000907289845 736607157 /nfs/dbraw/zinc/60/71/57/736607157.db2.gz PWCQVBXWBZWJTA-VXGBXAGGSA-N 0 0 361.419 2.523 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000907795849 736668491 /nfs/dbraw/zinc/66/84/91/736668491.db2.gz ZMRMTLSNYFERAK-RYUDHWBXSA-N 0 0 350.415 2.571 20 10 FFCDRN C[C@@H]1CC(NC(=O)NCc2cccc(Br)c2O)C[C@@H](C)O1 ZINC000764800698 737051055 /nfs/dbraw/zinc/05/10/55/737051055.db2.gz QTRMCURSSXVPRR-NXEZZACHSA-N 0 0 357.248 2.910 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000765422287 737117626 /nfs/dbraw/zinc/11/76/26/737117626.db2.gz FSHJOUFVDVYFNE-LBPRGKRZSA-N 0 0 352.431 2.710 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000910957647 737149319 /nfs/dbraw/zinc/14/93/19/737149319.db2.gz UOVUPHQFVCRYMG-NSHDSACASA-N 0 0 355.316 2.507 20 10 FFCDRN Cc1nn(C)c(Cl)c1C(=O)NCc1cccc(Br)c1O ZINC000765732063 737150052 /nfs/dbraw/zinc/15/00/52/737150052.db2.gz OZRKYEAFRDFTEL-UHFFFAOYSA-N 0 0 358.623 2.780 20 10 FFCDRN COc1ccc(C(=O)NCc2cccc(Br)c2O)c(O)c1 ZINC000765748066 737152945 /nfs/dbraw/zinc/15/29/45/737152945.db2.gz UYYMXMGYOQLICM-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN Cc1cc(C)n([C@H](C)C(=O)NCc2cccc(Br)c2O)n1 ZINC000765747994 737153288 /nfs/dbraw/zinc/15/32/88/737153288.db2.gz STQDAVHMZTXICJ-LLVKDONJSA-N 0 0 352.232 2.845 20 10 FFCDRN COc1cccc([C@@H](O)C(=O)NCc2cccc(Br)c2O)c1 ZINC000765766829 737156310 /nfs/dbraw/zinc/15/63/10/737156310.db2.gz CJUSKRGSZVKIMY-OAHLLOKOSA-N 0 0 366.211 2.513 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000765856358 737166694 /nfs/dbraw/zinc/16/66/94/737166694.db2.gz ABBRKGPITDGMPZ-LBPRGKRZSA-N 0 0 358.385 2.899 20 10 FFCDRN Oc1c(Br)cccc1CNC(=S)NCCc1ccccn1 ZINC000765993630 737181474 /nfs/dbraw/zinc/18/14/74/737181474.db2.gz YBIDXGOUHKOTKL-UHFFFAOYSA-N 0 0 366.284 2.757 20 10 FFCDRN Oc1c(Br)cccc1CNC(=S)NC[C@@H]1CCCCO1 ZINC000765992741 737181603 /nfs/dbraw/zinc/18/16/03/737181603.db2.gz NRPGTZPOABNEBL-NSHDSACASA-N 0 0 359.289 2.688 20 10 FFCDRN CC[C@@H](NC(=O)NCCCSc1nccs1)[C@@H](O)C(F)(F)F ZINC000766252694 737212660 /nfs/dbraw/zinc/21/26/60/737212660.db2.gz UKNWHXIQQNWMBF-RKDXNWHRSA-N 0 0 357.423 2.626 20 10 FFCDRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)c2ncccc21 ZINC000766363687 737222895 /nfs/dbraw/zinc/22/28/95/737222895.db2.gz RVPVXAXVNDLGSQ-UHFFFAOYSA-N 0 0 363.326 2.789 20 10 FFCDRN Cc1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)n1C ZINC000912106464 737265819 /nfs/dbraw/zinc/26/58/19/737265819.db2.gz KJQFNWJPQWSEAW-UHFFFAOYSA-N 0 0 354.376 2.999 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc[n+]2[O-])cc1 ZINC000912107489 737265898 /nfs/dbraw/zinc/26/58/98/737265898.db2.gz VBBHUMXDPCMGMA-UHFFFAOYSA-N 0 0 353.344 2.591 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(F)cc1Br ZINC000767722680 737360577 /nfs/dbraw/zinc/36/05/77/737360577.db2.gz RXOCEJOFADCVCU-GHXNOFRVSA-N 0 0 371.231 2.891 20 10 FFCDRN Cc1cc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)ccc1Cl ZINC000785439718 738963613 /nfs/dbraw/zinc/96/36/13/738963613.db2.gz VCISPKSHEZTFLE-UHFFFAOYSA-N 0 0 359.857 2.647 20 10 FFCDRN CN(c1ccc(CNC(=O)NCC(F)(F)CO)cc1)C1CCCCC1 ZINC000768299864 737412638 /nfs/dbraw/zinc/41/26/38/737412638.db2.gz VREZLBUZWCBCJA-UHFFFAOYSA-N 0 0 355.429 2.882 20 10 FFCDRN CCOC(=O)[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000768523679 737428980 /nfs/dbraw/zinc/42/89/80/737428980.db2.gz FYKXRKSZHUWULS-QGZVFWFLSA-N 0 0 352.450 2.730 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000769145041 737500960 /nfs/dbraw/zinc/50/09/60/737500960.db2.gz RJDYAKQWKDCZFJ-CYBMUJFWSA-N 0 0 371.528 2.653 20 10 FFCDRN O=C(NCc1cnc(Cl)s1)NCc1ccc(N2CCOCC2)cc1 ZINC000914335907 737558385 /nfs/dbraw/zinc/55/83/85/737558385.db2.gz OCINNDNTLZYFPG-UHFFFAOYSA-N 0 0 366.874 2.633 20 10 FFCDRN CC(C)c1ccc(NC(=S)NNc2nc(=O)c3cnn(C)c3[nH]2)cc1 ZINC000769790643 737566919 /nfs/dbraw/zinc/56/69/19/737566919.db2.gz FBOVWYQBUVDRBZ-UHFFFAOYSA-N 0 0 357.443 2.506 20 10 FFCDRN CC(C)c1cccc(NC(=S)NNc2nc(=O)c3cnn(C)c3[nH]2)c1 ZINC000769793580 737567466 /nfs/dbraw/zinc/56/74/66/737567466.db2.gz LYKZZSFXGQCTGL-UHFFFAOYSA-N 0 0 357.443 2.506 20 10 FFCDRN COc1ccc(CNS(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)c(O)c1 ZINC000915164947 737611287 /nfs/dbraw/zinc/61/12/87/737611287.db2.gz PPPMMJUJNCWYBH-RDJZCZTQSA-N 0 0 351.399 2.515 20 10 FFCDRN C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cccc(Br)c1[O-] ZINC000770346147 737617810 /nfs/dbraw/zinc/61/78/10/737617810.db2.gz DDXZOTJNNGDWSE-FVQBIDKESA-N 0 0 369.303 2.838 20 10 FFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3nnc(C(F)F)s3)cc2)C1 ZINC000770446379 737628509 /nfs/dbraw/zinc/62/85/09/737628509.db2.gz XOYDGBCAJRUQEF-LLVKDONJSA-N 0 0 367.425 2.790 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)CS(=O)(=O)C2CCCC2)cc1 ZINC000915832041 737658337 /nfs/dbraw/zinc/65/83/37/737658337.db2.gz QWCDXJURLVOLMU-UHFFFAOYSA-N 0 0 366.527 2.849 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCO3)cc1F ZINC000771741473 737751165 /nfs/dbraw/zinc/75/11/65/737751165.db2.gz BEJMUDHOEGKNQF-UHFFFAOYSA-N 0 0 364.442 2.695 20 10 FFCDRN Cc1cc(CCNC(=O)CS(=O)(=O)C(C)C)c(C)n1-c1ccccc1 ZINC000917626835 737769020 /nfs/dbraw/zinc/76/90/20/737769020.db2.gz COXVAMZRMMDPKT-UHFFFAOYSA-N 0 0 362.495 2.576 20 10 FFCDRN Cc1noc2ncc(S(=O)(=O)N[C@@H](C)c3ccc(N(C)C)cc3)cc12 ZINC000773089728 737870590 /nfs/dbraw/zinc/87/05/90/737870590.db2.gz UYLSDTKWQLXZAH-NSHDSACASA-N 0 0 360.439 2.637 20 10 FFCDRN C[C@H](NC(=O)NCCNC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773268203 737886522 /nfs/dbraw/zinc/88/65/22/737886522.db2.gz 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C[C@H]([NH2+]CC(C)(C)OCCO)c1cc(Br)cc(F)c1[O-] ZINC000806664658 741079668 /nfs/dbraw/zinc/07/96/68/741079668.db2.gz XBCKPNWTJDDAQF-VIFPVBQESA-N 0 0 350.228 2.732 20 10 FFCDRN CSCCCCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000807262294 741123822 /nfs/dbraw/zinc/12/38/22/741123822.db2.gz SJTDIMMEZUILQL-UHFFFAOYSA-N 0 0 365.543 2.749 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H](CO)c2cccnc2)c1 ZINC000808431450 741225031 /nfs/dbraw/zinc/22/50/31/741225031.db2.gz SXIRLEDZPUWWIP-AWEZNQCLSA-N 0 0 351.244 2.724 20 10 FFCDRN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(Br)c3[O-])[C@H]2C1 ZINC000808448051 741226772 /nfs/dbraw/zinc/22/67/72/741226772.db2.gz WIOZSVRCZMVKQV-OFQRWUPVSA-N 0 0 367.287 2.891 20 10 FFCDRN CC(=O)C(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Br ZINC000808493783 741230022 /nfs/dbraw/zinc/23/00/22/741230022.db2.gz OPIWJQJOXNKOPL-QMMMGPOBSA-N 0 0 363.591 2.571 20 10 FFCDRN COc1ccc(N2CCCN(Cc3ncc(CN(C)C)s3)CC2)cc1 ZINC000809551006 741313743 /nfs/dbraw/zinc/31/37/43/741313743.db2.gz 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CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1ccc(Cl)cn1 ZINC000819699213 742424731 /nfs/dbraw/zinc/42/47/31/742424731.db2.gz ZSZUHXHGTCEAAK-UHFFFAOYSA-N 0 0 362.813 2.575 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CSCC(F)(F)F ZINC000819696955 742424760 /nfs/dbraw/zinc/42/47/60/742424760.db2.gz JFESFTNCTHKFBU-UHFFFAOYSA-N 0 0 365.373 2.579 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cc(C)oc3C)C2)cc1 ZINC000819886999 742439514 /nfs/dbraw/zinc/43/95/14/742439514.db2.gz GJCBVUBDBOERHX-HNNXBMFYSA-N 0 0 364.467 2.710 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)C3CCCCC3)C2)cc1 ZINC000819887039 742439537 /nfs/dbraw/zinc/43/95/37/742439537.db2.gz GORXNPDFAGMVQI-OAHLLOKOSA-N 0 0 352.500 2.774 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNc3nccn(C(F)F)c3=O)C2)cc1 ZINC000819934567 742446945 /nfs/dbraw/zinc/44/69/45/742446945.db2.gz KRMRLSWJAJLQEK-LBPRGKRZSA-N 0 0 350.369 2.585 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC[C@H]2CC2(Cl)Cl)c1 ZINC000820301314 742487143 /nfs/dbraw/zinc/48/71/43/742487143.db2.gz 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Cc1cc(Br)c([O-])c(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)c1 ZINC000826785312 743442268 /nfs/dbraw/zinc/44/22/68/743442268.db2.gz RFEZQDYIPJMYKP-UHFFFAOYSA-N 0 0 351.244 2.833 20 10 FFCDRN Cn1cc(-c2ncccc2C(=O)NCCCSc2nccs2)cn1 ZINC000827474905 743584741 /nfs/dbraw/zinc/58/47/41/743584741.db2.gz ODXTWKOUCUXLSD-UHFFFAOYSA-N 0 0 359.480 2.851 20 10 FFCDRN C[C@H](NC(=O)CS(=O)(=O)CCCc1ccccc1)c1ccccc1O ZINC000827982044 745010552 /nfs/dbraw/zinc/01/05/52/745010552.db2.gz LWBAIMUDYJBXQG-HNNXBMFYSA-N 0 0 361.463 2.617 20 10 FFCDRN COc1cc(Br)cc(CN2CCCc3n[nH]cc3C2)c1O ZINC000828013397 745015047 /nfs/dbraw/zinc/01/50/47/745015047.db2.gz CFPDTFRJPHESRA-UHFFFAOYSA-N 0 0 352.232 2.835 20 10 FFCDRN Cc1cc(CN2CCC(S(C)(=O)=O)CC2)ccc1N1CCCCC1 ZINC000828046953 745021002 /nfs/dbraw/zinc/02/10/02/745021002.db2.gz DYBPUENSHBDQOX-UHFFFAOYSA-N 0 0 350.528 2.994 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](OC)[C@H]1CCOC1 ZINC000830150546 745314918 /nfs/dbraw/zinc/31/49/18/745314918.db2.gz OAWVHMWHKZZXRD-NHYWBVRUSA-N 0 0 372.259 2.555 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1nnc(C)s1 ZINC000830151402 745315254 /nfs/dbraw/zinc/31/52/54/745315254.db2.gz WKTHHVNKLYLLLF-UHFFFAOYSA-N 0 0 370.272 2.906 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000830540264 745377579 /nfs/dbraw/zinc/37/75/79/745377579.db2.gz IDLFJDDPJSLTLT-HZMBPMFUSA-N 0 0 357.332 2.968 20 10 FFCDRN CN(C)[C@H](CCNC(=O)c1cc2cc(O)c(O)cc2s1)C(F)(F)F ZINC000831624908 745556581 /nfs/dbraw/zinc/55/65/81/745556581.db2.gz DGSPQPNOXDUEKS-CYBMUJFWSA-N 0 0 362.373 2.925 20 10 FFCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000834270998 745809734 /nfs/dbraw/zinc/80/97/34/745809734.db2.gz JJHDPYBSDVMDQK-JONLBCGYSA-N 0 0 350.415 2.529 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCCC[C@@H]1C1CCC1 ZINC000834750498 745893467 /nfs/dbraw/zinc/89/34/67/745893467.db2.gz GIGMKAIVDCCEMI-CQSZACIVSA-N 0 0 367.540 2.923 20 10 FFCDRN C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)c(F)cc1[O-] ZINC000834892306 745921031 /nfs/dbraw/zinc/92/10/31/745921031.db2.gz QZJBNHKMLFNGRB-SDDRHHMPSA-N 0 0 373.266 2.808 20 10 FFCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CCCC[C@H]2CCNS(C)(=O)=O)cc1 ZINC000835026422 745931986 /nfs/dbraw/zinc/93/19/86/745931986.db2.gz VSSVPVAILFDPKV-RURPWVQCSA-N 0 0 365.543 2.560 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](C(C)C)C2(CO)CCCC2)ccc1[N+](=O)[O-] ZINC000835065178 745943089 /nfs/dbraw/zinc/94/30/89/745943089.db2.gz FGFDSDHZQKPMJU-QGZVFWFLSA-N 0 0 352.431 2.976 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccnc(OCC(F)(F)F)n1 ZINC000836771072 746302887 /nfs/dbraw/zinc/30/28/87/746302887.db2.gz KTHAFZJSQUGBKJ-UHFFFAOYSA-N 0 0 356.304 2.787 20 10 FFCDRN CC1(C)CCN(C(=O)NCCCSc2nccs2)CC[S@@]1=O ZINC000838514525 746655998 /nfs/dbraw/zinc/65/59/98/746655998.db2.gz QSVIZSQZRLRKIS-QFIPXVFZSA-N 0 0 361.558 2.568 20 10 FFCDRN CSCCCN(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838739725 746703647 /nfs/dbraw/zinc/70/36/47/746703647.db2.gz OFPVZJDCLVEVGM-UHFFFAOYSA-N 0 0 373.469 2.696 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC=C(F)C1 ZINC000838739387 746703716 /nfs/dbraw/zinc/70/37/16/746703716.db2.gz MGMIFGCMFHOYIH-UHFFFAOYSA-N 0 0 355.360 2.570 20 10 FFCDRN C[C@@H]1[C@@H](C)CCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838746966 746705366 /nfs/dbraw/zinc/70/53/66/746705366.db2.gz NGKWHWPMMDHDLM-QWHCGFSZSA-N 0 0 353.413 2.741 20 10 FFCDRN CC[C@@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838746182 746705445 /nfs/dbraw/zinc/70/54/45/746705445.db2.gz GOUCVIBWSYZTDI-CYBMUJFWSA-N 0 0 353.413 2.743 20 10 FFCDRN COc1cc2c(c(OC)c1)N(Cc1cc(=O)n3ccsc3n1)CCC2 ZINC000839657072 746883289 /nfs/dbraw/zinc/88/32/89/746883289.db2.gz ZXKQIQOVAZVFJE-UHFFFAOYSA-N 0 0 357.435 2.726 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000840146553 747018867 /nfs/dbraw/zinc/01/88/67/747018867.db2.gz QLWVTLQTPAHVSR-IRXDYDNUSA-N 0 0 367.511 2.850 20 10 FFCDRN CCn1ccnc1[C@H](C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840758146 747174527 /nfs/dbraw/zinc/17/45/27/747174527.db2.gz ODNRTVQFABYRDH-ZDUSSCGKSA-N 0 0 350.413 2.869 20 10 FFCDRN CCC(C)(C)NC(=S)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840841339 747199739 /nfs/dbraw/zinc/19/97/39/747199739.db2.gz JATVACXCSDMISF-UHFFFAOYSA-N 0 0 357.470 2.954 20 10 FFCDRN CCOC(=O)CC1(S(=O)(=O)Nc2ccc(O)c(COC(C)C)c2)CC1 ZINC000840914684 747222993 /nfs/dbraw/zinc/22/29/93/747222993.db2.gz XEDCYXXESNHZRX-UHFFFAOYSA-N 0 0 371.455 2.545 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H](CO)c2ccc(F)cc2)c1[O-] ZINC000840963909 747244562 /nfs/dbraw/zinc/24/45/62/747244562.db2.gz SMXHAJQZYVMNOM-GFCCVEGCSA-N 0 0 354.765 2.959 20 10 FFCDRN Cc1ccc([C@@H]2CSCCN2C(=O)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841108163 747270892 /nfs/dbraw/zinc/27/08/92/747270892.db2.gz OYOLOAKRIYROAF-KRWDZBQOSA-N 0 0 355.463 2.832 20 10 FFCDRN Cc1ccc([C@@H](NC(=O)Nc2ccc(N)cc2)[C@H](C)S(C)(=O)=O)cc1 ZINC000841297492 747314538 /nfs/dbraw/zinc/31/45/38/747314538.db2.gz RHFHNFALUJCLKM-GUYCJALGSA-N 0 0 361.467 2.873 20 10 FFCDRN C[C@@H](NS(=O)(=O)CCOCC1CCCC1)c1ccc(N(C)C)cc1 ZINC000841516734 747379923 /nfs/dbraw/zinc/37/99/23/747379923.db2.gz VEFPCIKWBSBMPA-OAHLLOKOSA-N 0 0 354.516 2.940 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)N(C)[C@H](C)C1CC1 ZINC000841569114 747405904 /nfs/dbraw/zinc/40/59/04/747405904.db2.gz JJOGCTRSOIXYBY-HUUCEWRRSA-N 0 0 353.532 2.557 20 10 FFCDRN C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841753250 747449635 /nfs/dbraw/zinc/44/96/35/747449635.db2.gz FTAYNNYFKNXHKF-WWTUQBGBSA-N 0 0 365.905 2.780 20 10 FFCDRN C[C@@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841758016 747451863 /nfs/dbraw/zinc/45/18/63/747451863.db2.gz RCXKFDGGLMQFSL-CQSZACIVSA-N 0 0 354.878 2.578 20 10 FFCDRN Cc1cccnc1CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842254252 747557947 /nfs/dbraw/zinc/55/79/47/747557947.db2.gz GQCGDPRNLBZMMK-UHFFFAOYSA-N 0 0 359.813 2.756 20 10 FFCDRN CCCc1ncc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)o1 ZINC000842258257 747558761 /nfs/dbraw/zinc/55/87/61/747558761.db2.gz QJNRMNXAPJJZET-UHFFFAOYSA-N 0 0 363.801 2.951 20 10 FFCDRN Cc1cc(CC(=O)N(C)CC(=O)N(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000842472315 747612521 /nfs/dbraw/zinc/61/25/21/747612521.db2.gz FYUKALBHHIFIAR-UHFFFAOYSA-N 0 0 361.873 2.837 20 10 FFCDRN C[C@H]([NH2+]CCCc1ncn(C)n1)c1cc(Br)cc(F)c1[O-] ZINC000842903523 747717172 /nfs/dbraw/zinc/71/71/72/747717172.db2.gz QLMJXSBIFPYZQK-VIFPVBQESA-N 0 0 357.227 2.706 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(SC)n1 ZINC000843908660 747926136 /nfs/dbraw/zinc/92/61/36/747926136.db2.gz PQSDLXJSTZUAQO-UHFFFAOYSA-N 0 0 360.435 2.715 20 10 FFCDRN C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C(=O)OC(C)(C)C ZINC000844146891 747978197 /nfs/dbraw/zinc/97/81/97/747978197.db2.gz LGEVHEITLCWYBC-GHMZBOCLSA-N 0 0 353.390 2.677 20 10 FFCDRN COC/C(C)=C/C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000844410823 748024944 /nfs/dbraw/zinc/02/49/44/748024944.db2.gz ZEIORBDXGSKPBO-JWAFFJSPSA-N 0 0 354.397 2.966 20 10 FFCDRN COC1(C[C@@H]2NC(=O)N(CCCSc3nccs3)C2=O)CCC1 ZINC000844715930 748082504 /nfs/dbraw/zinc/08/25/04/748082504.db2.gz NPJVKZBRKBASPL-NSHDSACASA-N 0 0 355.485 2.505 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)CSC[C@@H]2CCCCO2)cc1 ZINC000844852927 748116961 /nfs/dbraw/zinc/11/69/61/748116961.db2.gz ADYJQMYIVGNIGK-SFHVURJKSA-N 0 0 366.527 2.892 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000844887103 748125369 /nfs/dbraw/zinc/12/53/69/748125369.db2.gz UKHPGFPMHQANNE-SNVBAGLBSA-N 0 0 365.783 2.729 20 10 FFCDRN CCC[C@@H](C)[C@H](CO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000844890111 748126260 /nfs/dbraw/zinc/12/62/60/748126260.db2.gz UBFKDDJSDBQOON-QAPCUYQASA-N 0 0 365.543 2.836 20 10 FFCDRN CC(C)c1noc(CCCNC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000844938244 748141817 /nfs/dbraw/zinc/14/18/17/748141817.db2.gz HOJRTZRBRDLEAV-UHFFFAOYSA-N 0 0 352.822 2.984 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCOC2(CCOCC2)C1 ZINC000845063874 748172326 /nfs/dbraw/zinc/17/23/26/748172326.db2.gz ATBYXMKQDRHEJN-CQSZACIVSA-N 0 0 354.834 2.573 20 10 FFCDRN CSc1ccnc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1 ZINC000845471252 748265183 /nfs/dbraw/zinc/26/51/83/748265183.db2.gz GURDVYJRSIEGOS-CQSZACIVSA-N 0 0 357.483 2.512 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2ncncc2Br)cc1 ZINC000845672734 748302881 /nfs/dbraw/zinc/30/28/81/748302881.db2.gz MVPYAGGHTIXKFU-UHFFFAOYSA-N 0 0 351.248 2.820 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)CC2(COC)CCC2)cc1 ZINC000845823724 748332181 /nfs/dbraw/zinc/33/21/81/748332181.db2.gz KWOLMZUTEWLYIQ-UHFFFAOYSA-N 0 0 354.516 2.769 20 10 FFCDRN Cc1nn(C)c(S(=O)(=O)NCc2cc(Cl)ccc2O)c1C(F)F ZINC000845997042 748378824 /nfs/dbraw/zinc/37/88/24/748378824.db2.gz WUIPUROTMMOBBE-UHFFFAOYSA-N 0 0 365.789 2.504 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1coc(S(C)(=O)=O)c1 ZINC000846095659 748406344 /nfs/dbraw/zinc/40/63/44/748406344.db2.gz RQZRKICDINXOPL-UHFFFAOYSA-N 0 0 351.424 2.831 20 10 FFCDRN COC(=O)[C@H](NCc1ccc(N(C)C)c(F)c1)[C@H]1CCC[C@@H](OC)C1 ZINC000846109112 748409173 /nfs/dbraw/zinc/40/91/73/748409173.db2.gz SGMSBNLKPYQGQW-HDMKZQKVSA-N 0 0 352.450 2.728 20 10 FFCDRN CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)c1C ZINC000846121630 748411777 /nfs/dbraw/zinc/41/17/77/748411777.db2.gz KYEACPFTLNOYKL-SNVBAGLBSA-N 0 0 364.833 2.776 20 10 FFCDRN CCCc1cnc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)s1 ZINC000846121775 748411839 /nfs/dbraw/zinc/41/18/39/748411839.db2.gz NUWOXCIKESEKRX-UHFFFAOYSA-N 0 0 353.831 2.710 20 10 FFCDRN C[C@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000846214293 748431870 /nfs/dbraw/zinc/43/18/70/748431870.db2.gz UYFVVTLVBXHBDO-ZUZCIYMTSA-N 0 0 362.239 2.876 20 10 FFCDRN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846474099 748488347 /nfs/dbraw/zinc/48/83/47/748488347.db2.gz ZAUQRKNVDNPTHH-KRWDZBQOSA-N 0 0 358.825 2.635 20 10 FFCDRN O=C(CC1(Cn2cnnn2)CCCCC1)NCc1cc(Cl)ccc1O ZINC000846477926 748489655 /nfs/dbraw/zinc/48/96/55/748489655.db2.gz VUHFIDHHMDODQG-UHFFFAOYSA-N 0 0 363.849 2.689 20 10 FFCDRN C[C@H](CO)C1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000846696723 748525490 /nfs/dbraw/zinc/52/54/90/748525490.db2.gz GKMHYYJIONUUNJ-CYBMUJFWSA-N 0 0 359.495 2.797 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)C(C)(C)C)cc1F ZINC000846728891 748532246 /nfs/dbraw/zinc/53/22/46/748532246.db2.gz JQJGVGJTKSJGTA-CYBMUJFWSA-N 0 0 351.466 2.839 20 10 FFCDRN Cc1cc(C(=O)N2CCn3nncc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000848269617 748889979 /nfs/dbraw/zinc/88/99/79/748889979.db2.gz FTNNWXNSUNMKCU-UHFFFAOYSA-N 0 0 355.829 2.995 20 10 FFCDRN CC1(C)C(=O)N[C@@H]1C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000848918926 749034873 /nfs/dbraw/zinc/03/48/73/749034873.db2.gz OUXHVBPGKPFIIR-OAHLLOKOSA-N 0 0 367.287 2.891 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@]23CCC(=O)N2CCS3)cc1 ZINC000849193954 749066897 /nfs/dbraw/zinc/06/68/97/749066897.db2.gz GWMBDMKDUDCZBR-IBGZPJMESA-N 0 0 361.511 2.557 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=S)NCCc3ccccc3)C2)cc1 ZINC000849271342 749082730 /nfs/dbraw/zinc/08/27/30/749082730.db2.gz HMKSGFLFNMDFCM-KRWDZBQOSA-N 0 0 355.507 2.981 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@H](C)CC(F)(F)F)c1 ZINC000849377050 749121126 /nfs/dbraw/zinc/12/11/26/749121126.db2.gz VNJAECAQZZZAOU-NXEZZACHSA-N 0 0 355.378 2.970 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000849416594 749143508 /nfs/dbraw/zinc/14/35/08/749143508.db2.gz SSVBUGTZKPMBAY-AWEZNQCLSA-N 0 0 366.870 2.906 20 10 FFCDRN O=[S@](CC[NH2+]Cc1cccc(Br)c1[O-])CC(F)(F)F ZINC000850348023 749346733 /nfs/dbraw/zinc/34/67/33/749346733.db2.gz CTGONDKYVIFTPL-LJQANCHMSA-N 0 0 360.195 2.555 20 10 FFCDRN COC(=O)c1nc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000850516217 749379396 /nfs/dbraw/zinc/37/93/96/749379396.db2.gz SWDMSYARNGSJBL-SECBINFHSA-N 0 0 365.773 2.986 20 10 FFCDRN Cc1cc(Br)cc([C@H](C)NCc2nc(C(N)=O)cs2)c1O ZINC000850541187 749384257 /nfs/dbraw/zinc/38/42/57/749384257.db2.gz SRXXGJVDEAHSPJ-QMMMGPOBSA-N 0 0 370.272 2.869 20 10 FFCDRN CSCC[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852124474 749780698 /nfs/dbraw/zinc/78/06/98/749780698.db2.gz VMTWEAPEGPJDFZ-CQSZACIVSA-N 0 0 351.516 2.589 20 10 FFCDRN C[C@@H](NC(=O)NC[C@]12OCCC[C@H]1C2(F)F)c1ccc(N(C)C)cc1 ZINC000852261043 749817510 /nfs/dbraw/zinc/81/75/10/749817510.db2.gz JIXTYTFUAROCTE-VMGRFDJRSA-N 0 0 353.413 2.927 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCCC1(F)F ZINC000852339967 749839357 /nfs/dbraw/zinc/83/93/57/749839357.db2.gz YVJQABYYMQNXMP-INIZCTEOSA-N 0 0 353.413 2.635 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCO[C@@H]1CC1(F)F ZINC000852384807 749850794 /nfs/dbraw/zinc/85/07/94/749850794.db2.gz ICTRTUHUQSBWCV-XJKSGUPXSA-N 0 0 355.429 2.715 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C(C)(C)C3(F)F)C2)cc1 ZINC000852450644 749862517 /nfs/dbraw/zinc/86/25/17/749862517.db2.gz QYQZKXUNZGIJCY-SWLSCSKDSA-N 0 0 353.413 2.864 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)c3cscn3)CC2)cc1F ZINC000852515085 749880531 /nfs/dbraw/zinc/88/05/31/749880531.db2.gz ORJFHLWZOJGGQE-GFCCVEGCSA-N 0 0 364.446 2.884 20 10 FFCDRN CC(C)(F)CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000852552937 749889288 /nfs/dbraw/zinc/88/92/88/749889288.db2.gz IJPCXVNVZWJOOF-UHFFFAOYSA-N 0 0 355.429 2.724 20 10 FFCDRN CNC(=O)CC1(CNC(=O)NCc2cc(Cl)ccc2O)CCCCC1 ZINC000852650826 749912293 /nfs/dbraw/zinc/91/22/93/749912293.db2.gz SAZJPAPQADAJKF-UHFFFAOYSA-N 0 0 367.877 2.931 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@](C)(CO)C2)cc1F ZINC000853707261 750140853 /nfs/dbraw/zinc/14/08/53/750140853.db2.gz ZCCORICDEFOLIU-KUHUBIRLSA-N 0 0 351.466 2.832 20 10 FFCDRN CS(=O)(=O)N1CC[C@H](COc2ccc(N3CCCCC3)c(Cl)c2)C1 ZINC000853726866 750147066 /nfs/dbraw/zinc/14/70/66/750147066.db2.gz ZPOLITNLMQWCDN-AWEZNQCLSA-N 0 0 372.918 2.991 20 10 FFCDRN O=[N+]([O-])c1ccc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000853792262 750165983 /nfs/dbraw/zinc/16/59/83/750165983.db2.gz XEDANSBCQPNZJX-UHFFFAOYSA-N 0 0 367.452 2.503 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](COC)C1CCOCC1 ZINC000854320555 750282061 /nfs/dbraw/zinc/28/20/61/750282061.db2.gz WNVKGOHHKXXKJS-QGZVFWFLSA-N 0 0 350.459 2.755 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000055669605 845338556 /nfs/dbraw/zinc/33/85/56/845338556.db2.gz CBEYXGXIOIQFJP-UHFFFAOYSA-N 0 0 364.442 2.735 20 10 FFCDRN CN(c1ccc(CNC(=O)CCS(C)(=O)=O)cc1)C1CCCCC1 ZINC000067593679 845509785 /nfs/dbraw/zinc/50/97/85/845509785.db2.gz ACMRUZIAORHAOU-UHFFFAOYSA-N 0 0 352.500 2.506 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NC[C@@H]3CSCCS3)ccc21 ZINC000176466043 845712632 /nfs/dbraw/zinc/71/26/32/845712632.db2.gz OWBAJDIHSANJFG-OAHLLOKOSA-N 0 0 351.541 2.717 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cc([N+](=O)[O-])ncc1Br ZINC000389003720 845836499 /nfs/dbraw/zinc/83/64/99/845836499.db2.gz CEHHZECRGLLSRK-UHFFFAOYSA-N 0 0 366.171 2.730 20 10 FFCDRN NC(=O)c1cccc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)c1 ZINC001174061364 1013049340 /nfs/dbraw/zinc/04/93/40/1013049340.db2.gz GGOQCNVRSDCWPK-UHFFFAOYSA-N 0 0 357.369 2.887 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCC[C@@H]3CCCC[C@@H]3O)C2)cc1 ZINC000895651481 970823010 /nfs/dbraw/zinc/82/30/10/970823010.db2.gz ZNOWNKIDHBFNCZ-FCEWJHQRSA-N 0 0 361.486 2.514 20 10 FFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CCC[C@@H](O)CC1 ZINC000888586246 1013052994 /nfs/dbraw/zinc/05/29/94/1013052994.db2.gz ZHFMAZQYDNOCBW-CQSZACIVSA-N 0 0 351.410 2.775 20 10 FFCDRN COC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(N(C)C)cc1C(F)(F)F ZINC000895862890 971004764 /nfs/dbraw/zinc/00/47/64/971004764.db2.gz ISFGLUOUCZMRJT-HOCLYGCPSA-N 0 0 374.403 2.972 20 10 FFCDRN C[C@@H]1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC[C@@H]1O ZINC000888587690 1013072195 /nfs/dbraw/zinc/07/21/95/1013072195.db2.gz KPGGGLYCILYJTE-HIFRSBDPSA-N 0 0 351.410 2.631 20 10 FFCDRN CCCCNC(=O)c1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001174123902 1013074124 /nfs/dbraw/zinc/07/41/24/1013074124.db2.gz XZYCQXSFMWPZIC-UHFFFAOYSA-N 0 0 361.467 2.896 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000896306085 971404638 /nfs/dbraw/zinc/40/46/38/971404638.db2.gz NRRKXPFDAPASHZ-LBPRGKRZSA-N 0 0 374.462 2.787 20 10 FFCDRN Cc1ccnc(N[C@H](C)c2ccc(N3CCOCC3)cc2)c1-c1nn[nH]n1 ZINC000826312182 947904463 /nfs/dbraw/zinc/90/44/63/947904463.db2.gz XPVWVJJPUMKPOH-CQSZACIVSA-N 0 0 365.441 2.580 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H]2c3ccccc3C(=O)OC23CCC3)c1 ZINC000896362222 971456065 /nfs/dbraw/zinc/45/60/65/971456065.db2.gz SNHYGVFHBFSBIZ-GOSISDBHSA-N 0 0 367.401 2.894 20 10 FFCDRN CCn1cnc2c1CCN(c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-])C2 ZINC000896659538 971648657 /nfs/dbraw/zinc/64/86/57/971648657.db2.gz KZDJHRVDZLXJKY-FNORWQNLSA-N 0 0 356.382 2.560 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000053661865 971818022 /nfs/dbraw/zinc/81/80/22/971818022.db2.gz LJQXYEHCJDKIJG-UHFFFAOYSA-N 0 0 374.506 2.960 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(N3CCOC3=O)cc2)c1O ZINC000729562416 971881698 /nfs/dbraw/zinc/88/16/98/971881698.db2.gz CPKVDXOBACRHNH-UHFFFAOYSA-N 0 0 357.366 2.679 20 10 FFCDRN CC(C)NS(=O)(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC001211658739 972041989 /nfs/dbraw/zinc/04/19/89/972041989.db2.gz IBTLZBABGKAOTO-ZDUSSCGKSA-N 0 0 359.923 2.909 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2Cc3cncnc3C2)CCCC1 ZINC000655126328 959487527 /nfs/dbraw/zinc/48/75/27/959487527.db2.gz CBGJWQMZLRCHNM-UHFFFAOYSA-N 0 0 362.433 2.861 20 10 FFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000120523507 959803480 /nfs/dbraw/zinc/80/34/80/959803480.db2.gz NAMZDEUERNXBCQ-UHFFFAOYSA-N 0 0 359.349 2.683 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccccc2-n2cnnn2)cc1 ZINC000728223027 960094083 /nfs/dbraw/zinc/09/40/83/960094083.db2.gz SEKLSOLBJPXKFS-UHFFFAOYSA-N 0 0 364.453 2.781 20 10 FFCDRN COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000007888765 1013243789 /nfs/dbraw/zinc/24/37/89/1013243789.db2.gz VUGKHJNSQJNIPG-UHFFFAOYSA-N 0 0 356.422 2.577 20 10 FFCDRN Cc1ncsc1CN1CCC12CN(Cc1cc(F)c(F)cc1O)C2 ZINC001279107066 961688267 /nfs/dbraw/zinc/68/82/67/961688267.db2.gz MLOWPLDKVAXDQS-UHFFFAOYSA-N 0 0 351.422 2.896 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)N3CCCC34CCC4)cc2)CC1 ZINC000891086539 961911718 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CN(Cc1ccccc1O)C(=O)C(=O)NCCc1csc2ccccc12 ZINC001117103905 1021568935 /nfs/dbraw/zinc/56/89/35/1021568935.db2.gz TUPUJEFYPDTMHI-UHFFFAOYSA-N 0 0 368.458 2.924 20 10 FFCDRN Cc1nc(N(C)C)sc1C(=O)NCc1cc(Br)ccc1O ZINC001117308634 1021648221 /nfs/dbraw/zinc/64/82/21/1021648221.db2.gz YZOVMNGVGAURHL-UHFFFAOYSA-N 0 0 370.272 2.916 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NC1CCC(F)(F)CC1)c1ccc(N(C)C)cc1 ZINC001117501523 1021730808 /nfs/dbraw/zinc/73/08/08/1021730808.db2.gz WQSXIKRJGOBHLP-GFCCVEGCSA-N 0 0 353.413 2.624 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](c3ccccc3F)C2)cc1 ZINC001117722652 1021837607 /nfs/dbraw/zinc/83/76/07/1021837607.db2.gz DGNIVOZSKYQYGB-WKILWMFISA-N 0 0 369.440 2.570 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 ZINC001117901742 1021964203 /nfs/dbraw/zinc/96/42/03/1021964203.db2.gz FPHUFGXCAJUPPS-GOSISDBHSA-N 0 0 370.424 2.723 20 10 FFCDRN O=C(COC(=O)c1cc[nH]c1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000750499371 1022073656 /nfs/dbraw/zinc/07/36/56/1022073656.db2.gz UBZRQPPQNHLYOG-UHFFFAOYSA-N 0 0 374.352 2.586 20 10 FFCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000041925073 1022122457 /nfs/dbraw/zinc/12/24/57/1022122457.db2.gz VWSJBUKPAIUVEB-UHFFFAOYSA-N 0 0 353.422 2.550 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000042035171 1022133555 /nfs/dbraw/zinc/13/35/55/1022133555.db2.gz PHFSJAGBUHIKPQ-LJQANCHMSA-N 0 0 352.434 2.883 20 10 FFCDRN CC(C)[C@@H](CO)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000750636178 1022273709 /nfs/dbraw/zinc/27/37/09/1022273709.db2.gz BCTTZTMGMPHCBY-MRXNPFEDSA-N 0 0 371.428 2.573 20 10 FFCDRN C[C@H](NC(=O)c1noc2c1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000145741915 1022281825 /nfs/dbraw/zinc/28/18/25/1022281825.db2.gz GNYKWBXGYNNDNB-AWEZNQCLSA-N 0 0 355.438 2.881 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000115280866 1022321034 /nfs/dbraw/zinc/32/10/34/1022321034.db2.gz PLGWHPKIQSEHMT-SFHVURJKSA-N 0 0 369.465 2.965 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1cc(C)ccc1O)c1ccc(F)cc1 ZINC001118821053 1022423465 /nfs/dbraw/zinc/42/34/65/1022423465.db2.gz BTFNMZDBAWWZST-QGZVFWFLSA-N 0 0 353.415 2.647 20 10 FFCDRN COc1cc(OC)c(C(=O)NCc2ccc3c(c2)CCCN3C)cc1C=O ZINC001118869398 1022450394 /nfs/dbraw/zinc/45/03/94/1022450394.db2.gz LNJMFLSZWLJUQW-UHFFFAOYSA-N 0 0 368.433 2.829 20 10 FFCDRN Cc1cccc(N2N=C(C(=O)NCc3cc(C)ccc3O)CCC2=O)c1 ZINC001118947349 1022486469 /nfs/dbraw/zinc/48/64/69/1022486469.db2.gz OQRXKQWXAWBGKL-UHFFFAOYSA-N 0 0 351.406 2.808 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCc1ccsc1C(F)(F)F ZINC001119001395 1022519709 /nfs/dbraw/zinc/51/97/09/1022519709.db2.gz RWDZYPCWNAVRLF-UHFFFAOYSA-N 0 0 372.368 2.747 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c1 ZINC000778914475 1022523386 /nfs/dbraw/zinc/52/33/86/1022523386.db2.gz KUPYRBDCGLSTDW-UHFFFAOYSA-N 0 0 368.292 2.840 20 10 FFCDRN C[C@@H](Cc1ccco1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000829253642 1033064900 /nfs/dbraw/zinc/06/49/00/1033064900.db2.gz HZMQITLUCOIHGU-AWEZNQCLSA-N 0 0 360.429 2.875 20 10 FFCDRN COC(=O)c1cccc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)c1 ZINC000159207182 1022631536 /nfs/dbraw/zinc/63/15/36/1022631536.db2.gz VZBXFTBYIPPOJW-UHFFFAOYSA-N 0 0 363.373 2.967 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000779001948 1022631561 /nfs/dbraw/zinc/63/15/61/1022631561.db2.gz VBTYWSDTCXCABI-ZDUSSCGKSA-N 0 0 364.442 2.664 20 10 FFCDRN Cc1cnc(C)nc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001119261781 1022642106 /nfs/dbraw/zinc/64/21/06/1022642106.db2.gz UXWJCMGUDADFSN-UHFFFAOYSA-N 0 0 369.469 2.624 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)Nc3ccccc3C)CC2)cc1 ZINC000038588849 1022656342 /nfs/dbraw/zinc/65/63/42/1022656342.db2.gz MBAZSPBNAYBKGQ-UHFFFAOYSA-N 0 0 368.481 2.947 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1nn(C)c(=O)c2ccccc21 ZINC000750861782 1022667226 /nfs/dbraw/zinc/66/72/26/1022667226.db2.gz HKTWZQLSPBTXHI-UHFFFAOYSA-N 0 0 365.433 2.620 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000751016145 1022743814 /nfs/dbraw/zinc/74/38/14/1022743814.db2.gz MMGAGJLXCXVTKF-UHFFFAOYSA-N 0 0 351.362 2.666 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC001119415109 1022750886 /nfs/dbraw/zinc/75/08/86/1022750886.db2.gz RMFSHIOGBLWPLG-DLBZAZTESA-N 0 0 358.482 2.987 20 10 FFCDRN COc1cc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c(O)cc1C ZINC000159755572 1022782542 /nfs/dbraw/zinc/78/25/42/1022782542.db2.gz LKYLAULBXNWSAL-UHFFFAOYSA-N 0 0 358.413 2.806 20 10 FFCDRN O=C(COC[C@H]1CCCO1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751306307 1022789102 /nfs/dbraw/zinc/78/91/02/1022789102.db2.gz SEUQPCUAFXTEAC-CQSZACIVSA-N 0 0 352.394 2.530 20 10 FFCDRN Cn1cc(/C=C/C(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cn1 ZINC000751329793 1022799994 /nfs/dbraw/zinc/79/99/94/1022799994.db2.gz CBPJMMRFXGSAKJ-IJDCCNJMSA-N 0 0 364.449 2.576 20 10 FFCDRN Cc1cc(C(=O)N2CCN(CCO)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000779124611 1022850672 /nfs/dbraw/zinc/85/06/72/1022850672.db2.gz QOKJYZQGXBRBAB-KRWDZBQOSA-N 0 0 355.482 2.541 20 10 FFCDRN CC(C)OCCN1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000074854215 1022951680 /nfs/dbraw/zinc/95/16/80/1022951680.db2.gz NINJGMSUGZDNGH-UHFFFAOYSA-N 0 0 374.529 2.539 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CCCC2(CC2)C1 ZINC001119735122 1022962747 /nfs/dbraw/zinc/96/27/47/1022962747.db2.gz NVNVXPZNMZQANL-QGZVFWFLSA-N 0 0 353.466 2.518 20 10 FFCDRN COC(CN(CCCO)C(=O)c1ccc(-n2c(C)ccc2C)cc1)OC ZINC000187981342 1022983942 /nfs/dbraw/zinc/98/39/42/1022983942.db2.gz UUHDHGUPQJNEDP-UHFFFAOYSA-N 0 0 360.454 2.538 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCCO[C@H]2CCCC[C@H]2C)c(OC)c1 ZINC000752113189 1023067791 /nfs/dbraw/zinc/06/77/91/1023067791.db2.gz QGCNZDRVWPEGQQ-QAPCUYQASA-N 0 0 364.486 2.852 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@H]3CCC(C)(C)O3)CC2)cc1 ZINC000188691860 1023121755 /nfs/dbraw/zinc/12/17/55/1023121755.db2.gz KMLUGVWNMTWHAF-GOSISDBHSA-N 0 0 361.486 2.875 20 10 FFCDRN CCOC(=O)[C@H](CC1CC1)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000752467806 1023146961 /nfs/dbraw/zinc/14/69/61/1023146961.db2.gz RJXPMCIUSGVULP-KRWDZBQOSA-N 0 0 355.438 2.951 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000189425802 1023279541 /nfs/dbraw/zinc/27/95/41/1023279541.db2.gz JIPXQVHRCPRCQX-UHFFFAOYSA-N 0 0 372.446 2.591 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c(F)c1 ZINC000076562985 1023325041 /nfs/dbraw/zinc/32/50/41/1023325041.db2.gz LBFHBVHTMFNFAQ-UHFFFAOYSA-N 0 0 356.397 2.973 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)NC3CCC(C)CC3)CC2)cc1F ZINC000753857715 1023390199 /nfs/dbraw/zinc/39/01/99/1023390199.db2.gz OUZGVEFUWFZEDT-UHFFFAOYSA-N 0 0 363.477 2.651 20 10 FFCDRN CC(C)Cn1c(N(C)Cc2ccccc2O)nnc1[C@]1(O)CCSC1 ZINC001122675472 1023404193 /nfs/dbraw/zinc/40/41/93/1023404193.db2.gz WPSWZEHSZIDALO-SFHVURJKSA-N 0 0 362.499 2.601 20 10 FFCDRN O=C(/C=C\c1ccncn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000754245795 1023445138 /nfs/dbraw/zinc/44/51/38/1023445138.db2.gz IBMMHANDMSSPBG-BHQIHCQQSA-N 0 0 374.391 2.876 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(Cl)n1 ZINC001120778874 1023465053 /nfs/dbraw/zinc/46/50/53/1023465053.db2.gz PURGNCFIPVJWGR-UHFFFAOYSA-N 0 0 370.840 2.675 20 10 FFCDRN COc1cc(O[C@H]2CC[C@@H](C)[NH2+]C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001218397751 1033137876 /nfs/dbraw/zinc/13/78/76/1033137876.db2.gz IQHYWLKSXPCOTI-MNOVXSKESA-N 0 0 371.389 2.885 20 10 FFCDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001120905984 1023520349 /nfs/dbraw/zinc/52/03/49/1023520349.db2.gz ZJUGTRTYXKPHPQ-UHFFFAOYSA-N 0 0 361.829 2.993 20 10 FFCDRN Cc1nc2ccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cc2nc1C ZINC000755137058 1023568594 /nfs/dbraw/zinc/56/85/94/1023568594.db2.gz YTGRPDBMOULSMN-UHFFFAOYSA-N 0 0 352.346 2.698 20 10 FFCDRN Cc1cc(C(=O)NCCCN2CCOC2=O)c(C)n1-c1cccc(C)c1 ZINC000077330835 1023589800 /nfs/dbraw/zinc/58/98/00/1023589800.db2.gz FDOBONNQYPGNCX-UHFFFAOYSA-N 0 0 355.438 2.975 20 10 FFCDRN CC/C=C/[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1 ZINC001123100687 1023634074 /nfs/dbraw/zinc/63/40/74/1023634074.db2.gz LXUQHGMMMPJFRK-MUWNUINNSA-N 0 0 372.469 2.656 20 10 FFCDRN CC/C=C/[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1 ZINC001123100690 1023634097 /nfs/dbraw/zinc/63/40/97/1023634097.db2.gz LXUQHGMMMPJFRK-RYGKFZFLSA-N 0 0 372.469 2.656 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3snnc3C(C)C)C2)cc1 ZINC001121188498 1023642069 /nfs/dbraw/zinc/64/20/69/1023642069.db2.gz VXACLBTVENZUDD-ZDUSSCGKSA-N 0 0 360.483 2.926 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000756415962 1023707982 /nfs/dbraw/zinc/70/79/82/1023707982.db2.gz NFJGSKRTELMBKE-AWEZNQCLSA-N 0 0 355.438 2.893 20 10 FFCDRN C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756602963 1023733509 /nfs/dbraw/zinc/73/35/09/1023733509.db2.gz HBJQZMKECNUBPA-QRWLVFNGSA-N 0 0 371.437 2.588 20 10 FFCDRN CCN(CC)c1ccc(CN(C)c2nnc([C@]3(OC)CCOC3)n2C)cc1 ZINC001121377119 1023738371 /nfs/dbraw/zinc/73/83/71/1023738371.db2.gz OZHPFANMWONQIY-FQEVSTJZSA-N 0 0 373.501 2.560 20 10 FFCDRN CCc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2)ncn1 ZINC000756711125 1023747759 /nfs/dbraw/zinc/74/77/59/1023747759.db2.gz IKGLVQBKDCVWLF-DZGCQCFKSA-N 0 0 371.441 2.972 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)c2ccc(F)cc2)c1 ZINC000756708043 1023747839 /nfs/dbraw/zinc/74/78/39/1023747839.db2.gz MGEUBDVGXNWMMH-ZDUSSCGKSA-N 0 0 374.412 2.789 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H](C)NCc2cn(-c3ccccc3)nn2)c1 ZINC000756742820 1023752023 /nfs/dbraw/zinc/75/20/23/1023752023.db2.gz PJOMIUYNLVOXGO-CYBMUJFWSA-N 0 0 352.394 2.610 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc4cc[nH]c4n3)CC2)cc1 ZINC000779381107 1023768288 /nfs/dbraw/zinc/76/82/88/1023768288.db2.gz AAXMBWWVGACEFD-UHFFFAOYSA-N 0 0 350.422 2.924 20 10 FFCDRN CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2c(O)cccc2F)CCO1 ZINC001137832005 1033164610 /nfs/dbraw/zinc/16/46/10/1033164610.db2.gz WPWBRVJJYFZTTH-ZDUSSCGKSA-N 0 0 354.422 2.647 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc(F)cc(F)c1[O-] ZINC000757655866 1023843376 /nfs/dbraw/zinc/84/33/76/1023843376.db2.gz GACLXFDMLFXYIK-SJKOYZFVSA-N 0 0 361.392 2.907 20 10 FFCDRN O=C1[C@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@H]2CN1Cc1cccc(F)c1 ZINC001137832871 1033166753 /nfs/dbraw/zinc/16/67/53/1033166753.db2.gz KQOPNPXXMHODLJ-HOCLYGCPSA-N 0 0 358.388 2.761 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnn(C)c2N)cc1 ZINC000757821601 1023867010 /nfs/dbraw/zinc/86/70/10/1023867010.db2.gz XKWFIOSKBOVQSD-UHFFFAOYSA-N 0 0 353.426 2.504 20 10 FFCDRN COc1ccc(N(C)CC(=O)N2CCN(c3cccc(C)c3)CC2)cc1F ZINC000757851504 1023874994 /nfs/dbraw/zinc/87/49/94/1023874994.db2.gz KTKXVQITBBOUJW-UHFFFAOYSA-N 0 0 371.456 2.928 20 10 FFCDRN C[C@H](NC(=O)NC1([C@@H]2CCCO2)CCC1)c1ccc(N2CCOCC2)cc1 ZINC001123590580 1023886670 /nfs/dbraw/zinc/88/66/70/1023886670.db2.gz VREYUVLJWNHROF-LPHOPBHVSA-N 0 0 373.497 2.985 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3nc(C)nc(C)c3C)cc2)CC1 ZINC000191858522 1023931028 /nfs/dbraw/zinc/93/10/28/1023931028.db2.gz FRRCYVGNJRZBMF-UHFFFAOYSA-N 0 0 353.470 2.682 20 10 FFCDRN CN(C)C(=O)Nc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000779486641 1023939061 /nfs/dbraw/zinc/93/90/61/1023939061.db2.gz XKJUTMVCSIVDLD-VQHVLOKHSA-N 0 0 355.394 2.521 20 10 FFCDRN C[C@@H](CCc1ccc2c(c1)OCO2)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779498466 1023941831 /nfs/dbraw/zinc/94/18/31/1023941831.db2.gz IVSHFPVNCGWQKW-XURPKSDJSA-N 0 0 355.390 2.977 20 10 FFCDRN Cc1cc(CCNC(=O)c2ccc3nnnn3c2)c(C)n1-c1ccccc1 ZINC000758155950 1023943277 /nfs/dbraw/zinc/94/32/77/1023943277.db2.gz LGHOOKQEHHWQLB-UHFFFAOYSA-N 0 0 360.421 2.504 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](CO)[C@@H](O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000191986796 1023943944 /nfs/dbraw/zinc/94/39/44/1023943944.db2.gz JJLGHRNTJMLHKL-XLIONFOSSA-N 0 0 356.466 2.526 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](CO)[C@H](O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000191986787 1023944050 /nfs/dbraw/zinc/94/40/50/1023944050.db2.gz JJLGHRNTJMLHKL-YLJYHZDGSA-N 0 0 356.466 2.526 20 10 FFCDRN COC(=O)C[C@@H]1CN(C(=O)/C=C\c2ccc(O)c(O)c2)c2ccccc21 ZINC000779518232 1023949949 /nfs/dbraw/zinc/94/99/49/1023949949.db2.gz CHYWTDQYYPPZOH-IUCKJTJTSA-N 0 0 353.374 2.805 20 10 FFCDRN CCOC(=O)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000779523394 1023955599 /nfs/dbraw/zinc/95/55/99/1023955599.db2.gz ALYAABBCULKJAB-HGPCXVNDSA-N 0 0 355.390 2.574 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CCN(c2ccc(O)cc2)CC1 ZINC001121763313 1023987809 /nfs/dbraw/zinc/98/78/09/1023987809.db2.gz IMBXUYQSRJILCM-UHFFFAOYSA-N 0 0 371.466 2.764 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cc(C)c(C)nn3)CC2)cc1F ZINC000758243325 1023991757 /nfs/dbraw/zinc/99/17/57/1023991757.db2.gz LRDRHRGIROYIRQ-UHFFFAOYSA-N 0 0 359.405 2.595 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NC3COC(C)(C)OC3)cc2)CC1 ZINC000758470657 1024130107 /nfs/dbraw/zinc/13/01/07/1024130107.db2.gz LHTPHNNDHOQECM-UHFFFAOYSA-N 0 0 361.486 2.874 20 10 FFCDRN C[C@@H](NC(=O)N[C@@H](C(N)=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC001121902974 1024153416 /nfs/dbraw/zinc/15/34/16/1024153416.db2.gz KQSPFMJQUSICHF-SJKOYZFVSA-N 0 0 374.872 2.993 20 10 FFCDRN C[C@@H]1C[C@H](C(F)(F)F)n2ncc(C(=O)NCc3c(O)cccc3F)c2N1 ZINC001123943533 1024166241 /nfs/dbraw/zinc/16/62/41/1024166241.db2.gz PLQYCXNSLLPBRI-AMIZOPFISA-N 0 0 372.322 2.965 20 10 FFCDRN COC(=O)/C=C/c1ccc(OCCOC(=O)c2cccc(O)c2O)cc1 ZINC000758560615 1024176678 /nfs/dbraw/zinc/17/66/78/1024176678.db2.gz MXMBHFDFDDRGOA-JXMROGBWSA-N 0 0 358.346 2.520 20 10 FFCDRN COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1O ZINC000758572777 1024182126 /nfs/dbraw/zinc/18/21/26/1024182126.db2.gz NJOZQHKBCZACLJ-VXGBXAGGSA-N 0 0 359.378 2.529 20 10 FFCDRN C[C@@H](OC(=O)c1cccc(O)c1O)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000758571531 1024183013 /nfs/dbraw/zinc/18/30/13/1024183013.db2.gz GHPRSLAAIDCIMU-SECBINFHSA-N 0 0 367.304 2.883 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ncccc3OC(C)C)CC2)cc1 ZINC000079383062 1024251557 /nfs/dbraw/zinc/25/15/57/1024251557.db2.gz HQPQWYIKCVYRBF-UHFFFAOYSA-N 0 0 355.438 2.840 20 10 FFCDRN CC[C@@]1(C)CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000758713580 1024261975 /nfs/dbraw/zinc/26/19/75/1024261975.db2.gz WHTCMZHBFGQVLW-UWJYYQICSA-N 0 0 372.513 2.720 20 10 FFCDRN CCOC(=O)c1sc(CNC(=O)N[C@H](C)c2ccccc2O)nc1C ZINC001222897486 1033197916 /nfs/dbraw/zinc/19/79/16/1033197916.db2.gz QDGFJSJMBIYYCD-SNVBAGLBSA-N 0 0 363.439 2.894 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1coc2c1C(=O)NCCC2 ZINC001124622485 1024353365 /nfs/dbraw/zinc/35/33/65/1024353365.db2.gz IFLQFEGOUGDDNH-UHFFFAOYSA-N 0 0 367.449 2.828 20 10 FFCDRN Cc1noc2ncnc(NCc3ccc(N4CCC(O)CC4)c(F)c3)c12 ZINC000193389580 1024499068 /nfs/dbraw/zinc/49/90/68/1024499068.db2.gz PWINQMNKYVEQGR-UHFFFAOYSA-N 0 0 357.389 2.639 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000080271801 1024525619 /nfs/dbraw/zinc/52/56/19/1024525619.db2.gz LVQBGLVXWJHULV-UHFFFAOYSA-N 0 0 370.409 2.566 20 10 FFCDRN CCO[C@H]1COCC[C@H]1NC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000759264423 1024541521 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361.486 2.587 20 10 FFCDRN CC(=O)N(C)C1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840479393 1027088341 /nfs/dbraw/zinc/08/83/41/1027088341.db2.gz OTFYSEANTKIWPG-INIZCTEOSA-N 0 0 374.529 2.644 20 10 FFCDRN COC(=O)[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)[C@@H]1C ZINC000840482111 1027089387 /nfs/dbraw/zinc/08/93/87/1027089387.db2.gz SVHYYLIIFNUDAO-HDMKZQKVSA-N 0 0 361.486 2.585 20 10 FFCDRN COC(=O)c1cc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cn1C ZINC000840481846 1027089812 /nfs/dbraw/zinc/08/98/12/1027089812.db2.gz OPGRKULHENUJDS-CQSZACIVSA-N 0 0 372.469 2.939 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CC[C@H](n2cccn2)C1 ZINC000840484916 1027091216 /nfs/dbraw/zinc/09/12/16/1027091216.db2.gz QPNLQTDNQNQFFV-LPHOPBHVSA-N 0 0 355.486 2.845 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCCN1c1ncccn1 ZINC000840558044 1027115074 /nfs/dbraw/zinc/11/50/74/1027115074.db2.gz WQHNIUFFIBWEBX-QFBILLFUSA-N 0 0 367.497 2.567 20 10 FFCDRN COc1nccnc1N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001158870237 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COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccnn2Cc2ccccn2)c1 ZINC000093366219 1027702565 /nfs/dbraw/zinc/70/25/65/1027702565.db2.gz STMWUDKUSQYPOH-CYBMUJFWSA-N 0 0 367.409 2.923 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1Cc2cnccc2NC1=O ZINC001153843986 1028021146 /nfs/dbraw/zinc/02/11/46/1028021146.db2.gz VVAYGSSUKYEUNM-OAHLLOKOSA-N 0 0 366.446 2.844 20 10 FFCDRN CCOC(=O)C1(C(=O)NCc2ccc(N3CCCCC3)cc2)CCOCC1 ZINC000795767435 1028108376 /nfs/dbraw/zinc/10/83/76/1028108376.db2.gz GXMCWCVZSDSBLX-UHFFFAOYSA-N 0 0 374.481 2.653 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)cc1 ZINC000249397698 1028116277 /nfs/dbraw/zinc/11/62/77/1028116277.db2.gz AVNYDIIBIOYPCH-MSOLQXFVSA-N 0 0 355.482 2.621 20 10 FFCDRN CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-])c1ccccc1 ZINC000795849572 1028202197 /nfs/dbraw/zinc/20/21/97/1028202197.db2.gz LZMJJLJNMSKKGC-SUMWQHHRSA-N 0 0 356.422 2.707 20 10 FFCDRN Nc1ccc(CC(=O)N2CCOc3ccc(Br)cc3C2)cc1 ZINC001161501408 1028204862 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CCOC(=O)c1cnc2n1CCN(Cc1cccc(OCC)c1O)[C@H]2C ZINC001203615756 1030787096 /nfs/dbraw/zinc/78/70/96/1030787096.db2.gz ZVEGSYHPDXNETR-ZDUSSCGKSA-N 0 0 359.426 2.741 20 10 FFCDRN CC[C@@H]([NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1)c1ccc(F)cc1[O-] ZINC000796742826 1030901170 /nfs/dbraw/zinc/90/11/70/1030901170.db2.gz JSDLHOUVTSVGGJ-OXQOHEQNSA-N 0 0 371.412 2.827 20 10 FFCDRN CN(C)c1ccc(C[N@@H+]2CC[C@H]3[C@H]2CC(=O)N3Cc2cccnc2)cc1 ZINC001203931108 1030991414 /nfs/dbraw/zinc/99/14/14/1030991414.db2.gz BBEWAAPQXYPJQD-VQTJNVASSA-N 0 0 350.466 2.523 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)Cc3ccc(OC)cn3)C2)cc1 ZINC000842875541 1031008173 /nfs/dbraw/zinc/00/81/73/1031008173.db2.gz RJFGQOGHPKKGSK-HNNXBMFYSA-N 0 0 356.422 2.711 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)CCCC(=O)NC(C)C)C2)cc1 ZINC000842878252 1031011781 /nfs/dbraw/zinc/01/17/81/1031011781.db2.gz JMELWNHCUQHTJB-MRXNPFEDSA-N 0 0 362.470 2.760 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cnn4c3CCCC4)C2)cc1 ZINC000842878559 1031012053 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CCOC(=O)CC(C)(C)CC(=O)C(=O)c1nn(CC)cc1Br ZINC001346973325 1053495551 /nfs/dbraw/zinc/49/55/51/1053495551.db2.gz TVOOANQAFXJPKA-UHFFFAOYSA-N 0 0 373.247 2.787 20 10 FFCDRN CCOc1ccc(N2CCN(CC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC001335866331 1053611904 /nfs/dbraw/zinc/61/19/04/1053611904.db2.gz KYWOAFCTTXTTGC-UHFFFAOYSA-N 0 0 371.456 2.663 20 10 FFCDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(N)cc2)c1 ZINC001336756856 1054200051 /nfs/dbraw/zinc/20/00/51/1054200051.db2.gz TZVWJWNWTFWBTC-CQSZACIVSA-N 0 0 354.454 2.797 20 10 FFCDRN C[C@@H]1CCC(F)(F)CN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001347671781 1054214144 /nfs/dbraw/zinc/21/41/44/1054214144.db2.gz SADWEFXZNRBTJB-CQSZACIVSA-N 0 0 367.440 2.977 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@H]3COc4ccc(F)cc4C3)C2)cc1 ZINC001347817888 1054352391 /nfs/dbraw/zinc/35/23/91/1054352391.db2.gz PAGOKNBJUPFAEG-DOTOQJQBSA-N 0 0 370.424 2.781 20 10 FFCDRN CCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001347876136 1054408900 /nfs/dbraw/zinc/40/89/00/1054408900.db2.gz CUVSHHFBDNAKLN-LIRRHRJNSA-N 0 0 371.441 2.760 20 10 FFCDRN O=C(NCc1c(O)cccc1F)C(=O)Nc1ccccc1OCC1CC1 ZINC001337064179 1054450906 /nfs/dbraw/zinc/45/09/06/1054450906.db2.gz IBEWEKBRWXUMJJ-UHFFFAOYSA-N 0 0 358.369 2.575 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)cc1 ZINC001337070373 1054455871 /nfs/dbraw/zinc/45/58/71/1054455871.db2.gz OLNLYVMWXAPWDY-UHFFFAOYSA-N 0 0 357.429 2.687 20 10 FFCDRN CC[C@H]1CCCc2sc(NC(=O)C(=O)NCc3ccccc3O)nc21 ZINC001348000795 1054542821 /nfs/dbraw/zinc/54/28/21/1054542821.db2.gz PRXGLSRIQQBGDI-NSHDSACASA-N 0 0 359.451 2.934 20 10 FFCDRN O=C(C(=O)N1CCC(F)(F)C1)N(Cc1ccccc1O)C1CCCCC1 ZINC001348104675 1054653936 /nfs/dbraw/zinc/65/39/36/1054653936.db2.gz MECQFVNHQIZTAV-UHFFFAOYSA-N 0 0 366.408 2.921 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1[nH]ncc1Br ZINC001348391444 1054667679 /nfs/dbraw/zinc/66/76/79/1054667679.db2.gz KPKWMVCUCCSJFJ-LLVKDONJSA-N 0 0 365.275 2.908 20 10 FFCDRN Nc1c(C(=O)NCc2ccc(N3CCCC3)cc2)cnn1-c1ccccc1 ZINC001543592212 1071505415 /nfs/dbraw/zinc/50/54/15/1071505415.db2.gz YLDJSIWJQURXFA-UHFFFAOYSA-N 0 0 361.449 2.985 20 10 FFCDRN Cc1cc(CC(=O)N[C@H](C)c2nnnn2C)c(C)n1-c1ccc(Cl)cc1 ZINC001337654343 1054923132 /nfs/dbraw/zinc/92/31/32/1054923132.db2.gz HCNJUWSZSZJHFS-GFCCVEGCSA-N 0 0 372.860 2.691 20 10 FFCDRN COc1ccc(F)c(OC)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001351738167 1054976439 /nfs/dbraw/zinc/97/64/39/1054976439.db2.gz LHSYYAMYHRDILZ-UHFFFAOYSA-N 0 0 350.365 2.978 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCOC1CCOCC1 ZINC001351809093 1055010416 /nfs/dbraw/zinc/01/04/16/1055010416.db2.gz GQFPIFSRSLZPMJ-UHFFFAOYSA-N 0 0 370.449 2.832 20 10 FFCDRN CCc1ccc(N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)nc1 ZINC001337832524 1055045601 /nfs/dbraw/zinc/04/56/01/1055045601.db2.gz SYKQDIKRAVOIFM-UHFFFAOYSA-N 0 0 357.454 2.996 20 10 FFCDRN CC[C@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)c1ccc(OC)cc1 ZINC001349020048 1055053567 /nfs/dbraw/zinc/05/35/67/1055053567.db2.gz RVQUKOHRKGGYGC-KRWDZBQOSA-N 0 0 354.406 2.511 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)COCC(=O)OC(C)(C)C ZINC001349120791 1055108361 /nfs/dbraw/zinc/10/83/61/1055108361.db2.gz YXEXDVNGDSYDAB-UHFFFAOYSA-N 0 0 362.470 2.604 20 10 FFCDRN CCOCCN(CC)c1nnc(C2SC=CC2=O)n1C[C@@H]1CCOC1 ZINC001349326118 1055192084 /nfs/dbraw/zinc/19/20/84/1055192084.db2.gz ZJAFAVXEPCASOX-ZDUSSCGKSA-N 0 0 366.487 2.612 20 10 FFCDRN CCN(CC)c1ccc(CN(C)c2nnc(-c3noc(C)n3)n2C)cc1 ZINC001338138681 1055263577 /nfs/dbraw/zinc/26/35/77/1055263577.db2.gz MWPLHVKEKGJUAS-UHFFFAOYSA-N 0 0 355.446 2.656 20 10 FFCDRN CCc1cccc(CNc2ccc(CC(=O)N3CCOCC3)cc2)c1O ZINC000848892469 1055311132 /nfs/dbraw/zinc/31/11/32/1055311132.db2.gz XJVGMXJSRJTEKQ-UHFFFAOYSA-N 0 0 354.450 2.968 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1C1CCCC1 ZINC001349556506 1055336315 /nfs/dbraw/zinc/33/63/15/1055336315.db2.gz SHKQGXVXDDXGLJ-OAGGEKHMSA-N 0 0 361.438 2.515 20 10 FFCDRN COc1c(C)cccc1CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000848935950 1055399423 /nfs/dbraw/zinc/39/94/23/1055399423.db2.gz ADPBGOKSDFYWQT-OAHLLOKOSA-N 0 0 369.465 2.563 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000848938541 1055402164 /nfs/dbraw/zinc/40/21/64/1055402164.db2.gz HPCDKTLVKUHFKE-MOPGFXCFSA-N 0 0 374.481 2.595 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](C1CC1)[C@H]1CCCCO1 ZINC000847294831 1055407788 /nfs/dbraw/zinc/40/77/88/1055407788.db2.gz FFBTZNCRPMEKBV-WOJBJXKFSA-N 0 0 373.497 2.670 20 10 FFCDRN Cc1cc(C(=O)Cn2cc(C[C@@H](C)O)nn2)c(C)n1-c1ccc(C)cc1 ZINC001349737089 1055441868 /nfs/dbraw/zinc/44/18/68/1055441868.db2.gz GUYRDYAYSJIGMK-OAHLLOKOSA-N 0 0 352.438 2.800 20 10 FFCDRN CC(C)C[C@H](C)n1nccc1NC(=O)C(=O)NCc1c(O)cccc1F ZINC001338372260 1055456096 /nfs/dbraw/zinc/45/60/96/1055456096.db2.gz OLLOVQBBTATNRA-LBPRGKRZSA-N 0 0 362.405 2.590 20 10 FFCDRN CCn1c2cc(C(=O)Nc3cccc(N4CCOCC4)c3)ccc2[nH]c1=O ZINC000847365937 1055609359 /nfs/dbraw/zinc/60/93/59/1055609359.db2.gz GOQVBPYUIVTHFE-UHFFFAOYSA-N 0 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ZINC001357365666 1055879869 /nfs/dbraw/zinc/87/98/69/1055879869.db2.gz CNSYEQYQCKCYLH-QGZVFWFLSA-N 0 0 369.440 2.612 20 10 FFCDRN COC(=O)[C@@](C)(NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC001352875554 1055888095 /nfs/dbraw/zinc/88/80/95/1055888095.db2.gz GSLAVSCAVQHOHQ-NRFANRHFSA-N 0 0 354.450 2.701 20 10 FFCDRN CC(=O)c1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)ccc1C ZINC000847488716 1055911282 /nfs/dbraw/zinc/91/12/82/1055911282.db2.gz KCAQZCIHDRREKK-UHFFFAOYSA-N 0 0 367.449 2.827 20 10 FFCDRN CCOCCCn1c(-c2cc(C)[nH]n2)nnc1N(C)Cc1ccccc1O ZINC001357463464 1055911803 /nfs/dbraw/zinc/91/18/03/1055911803.db2.gz GRQFANRMPOFDBW-UHFFFAOYSA-N 0 0 370.457 2.745 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@]1(C2CCCC2)CCNC1=O ZINC001351177759 1056122579 /nfs/dbraw/zinc/12/25/79/1056122579.db2.gz OJWRAOHUMNAAKD-QFIPXVFZSA-N 0 0 369.509 2.942 20 10 FFCDRN O=C(NCc1cccc(-n2cncn2)c1)c1cc2cc(O)c(O)cc2s1 ZINC001544192164 1071609622 /nfs/dbraw/zinc/60/96/22/1071609622.db2.gz NOUOXMGIBBMGSE-UHFFFAOYSA-N 0 0 366.402 2.823 20 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GNVPCZZVNGRHAN-UHFFFAOYSA-N 0 0 374.514 2.605 20 10 FFCDRN COC(=O)[C@@H](N[C@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1F ZINC000849321461 1056827124 /nfs/dbraw/zinc/82/71/24/1056827124.db2.gz FTANOJABQKYAQB-LIRRHRJNSA-N 0 0 358.413 2.917 20 10 FFCDRN CN1CCc2cc(NCc3ccc(N4CCOCC4)cc3)ccc2C1=O ZINC000849347651 1056835794 /nfs/dbraw/zinc/83/57/94/1056835794.db2.gz TVWCQNFHEKTMDH-UHFFFAOYSA-N 0 0 351.450 2.763 20 10 FFCDRN CN(C)[C@]1(C(=O)NCc2cc(Cl)ccc2O)COc2ccccc2C1 ZINC001300396550 1058168678 /nfs/dbraw/zinc/16/86/78/1058168678.db2.gz YCUYTVKDMAYMIW-IBGZPJMESA-N 0 0 360.841 2.597 20 10 FFCDRN CCCn1cc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c(C)n1 ZINC001353779263 1058209541 /nfs/dbraw/zinc/20/95/41/1058209541.db2.gz ZUYBQEKCTREULX-UHFFFAOYSA-N 0 0 372.469 2.581 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cncc(N2CCCC2)n1 ZINC001445901665 1058454581 /nfs/dbraw/zinc/45/45/81/1058454581.db2.gz OVPMLZQZSCCZPI-UHFFFAOYSA-N 0 0 352.438 2.591 20 10 FFCDRN CCc1nnc(N2CC[C@@]3(CCOC3)C2)n1Cc1ccc(N(C)C)cc1C ZINC001513878970 1058639133 /nfs/dbraw/zinc/63/91/33/1058639133.db2.gz ZATWAMMGTFTITI-OAQYLSRUSA-N 0 0 369.513 2.880 20 10 FFCDRN CN1C(=O)CN(C(=O)c2cc3cc(O)c(O)cc3s2)[C@@H]1c1ccccc1 ZINC001447948649 1058722868 /nfs/dbraw/zinc/72/28/68/1058722868.db2.gz AHNYHMGDBCKPQH-GOSISDBHSA-N 0 0 368.414 2.926 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1C1CCC1 ZINC001354246035 1058764595 /nfs/dbraw/zinc/76/45/95/1058764595.db2.gz HITKOPGKKJMQAB-UHFFFAOYSA-N 0 0 356.426 2.691 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCc2ccc(=O)[nH]c2)c1 ZINC001449160429 1058868342 /nfs/dbraw/zinc/86/83/42/1058868342.db2.gz MMPLUZYHBPAEAM-UHFFFAOYSA-N 0 0 363.417 2.980 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3nccnc3SC)C2)cc1 ZINC001514931682 1059154838 /nfs/dbraw/zinc/15/48/38/1059154838.db2.gz RZGVCJJEBWKUAN-ZDUSSCGKSA-N 0 0 359.451 2.890 20 10 FFCDRN Cn1ncc(C(F)(F)F)c1C(=O)NCc1ccc2cccnc2c1O ZINC001451946164 1059169549 /nfs/dbraw/zinc/16/95/49/1059169549.db2.gz CIILFRXEUXTUHS-UHFFFAOYSA-N 0 0 350.300 2.623 20 10 FFCDRN CO[C@H]1COCC[C@H]1Cn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001504520572 1059199260 /nfs/dbraw/zinc/19/92/60/1059199260.db2.gz DEBRZTBGRCJKSY-WMZOPIPTSA-N 0 0 374.485 2.795 20 10 FFCDRN COCCCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001504802371 1059263869 /nfs/dbraw/zinc/26/38/69/1059263869.db2.gz YWRRWUCGEPENGH-MRXNPFEDSA-N 0 0 360.458 2.551 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccn4c(C)cnc4c3)C2)cc1 ZINC000848228639 1059416595 /nfs/dbraw/zinc/41/65/95/1059416595.db2.gz DVYAHZASBJLBMB-INIZCTEOSA-N 0 0 364.449 2.908 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cccc4[nH]c(=O)[nH]c43)C2)cc1 ZINC000848230309 1059428324 /nfs/dbraw/zinc/42/83/24/1059428324.db2.gz VZWZAOIFCLHRBP-CYBMUJFWSA-N 0 0 366.421 2.533 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C(C)=C\c1cccnc1 ZINC000848231375 1059430333 /nfs/dbraw/zinc/43/03/33/1059430333.db2.gz ABQAWAQEZATYJL-PTNGSMBKSA-N 0 0 354.406 2.782 20 10 FFCDRN Cc1nnnn1/C(=C/c1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1O ZINC001454808342 1059629413 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0 352.350 2.725 20 10 FFCDRN Cc1cc(CNC(=O)Cc2nc3ncccn3n2)c(C)n1-c1cccc(C)c1 ZINC001557887989 1075906446 /nfs/dbraw/zinc/90/64/46/1075906446.db2.gz NCMXANOSIUBNFH-UHFFFAOYSA-N 0 0 374.448 2.699 20 10 FFCDRN Cc1cc(NC(=O)[C@H](C)SCC(=O)N[C@@H](C)c2ccccc2O)no1 ZINC001557967743 1075918963 /nfs/dbraw/zinc/91/89/63/1075918963.db2.gz KAQCLKAUTJUNKV-RYUDHWBXSA-N 0 0 363.439 2.626 20 10 FFCDRN COc1ccc2[nH]c3c(c2c1)CCN(C(=O)Cc1ccc(O)c(O)c1)C3 ZINC001558117770 1075945295 /nfs/dbraw/zinc/94/52/95/1075945295.db2.gz BOMJERSHRRPPOW-UHFFFAOYSA-N 0 0 352.390 2.715 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1cc2c([nH]c(=O)cc2C(F)(F)F)o1 ZINC001558174150 1075956334 /nfs/dbraw/zinc/95/63/34/1075956334.db2.gz GALFQBVLEUKJMW-UHFFFAOYSA-N 0 0 368.267 2.893 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)CCc3ncon3)c2C)cc1 ZINC001558520441 1076022847 /nfs/dbraw/zinc/02/28/47/1076022847.db2.gz XGISHMQOCHFFBF-UHFFFAOYSA-N 0 0 354.410 2.800 20 10 FFCDRN Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCc1c(O)cccc1O ZINC001558534920 1076026977 /nfs/dbraw/zinc/02/69/77/1076026977.db2.gz XWFKIIQTPDKKMO-QGZVFWFLSA-N 0 0 370.449 2.867 20 10 FFCDRN Cc1cc(C(=O)NCC(=O)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC001558629418 1076047167 /nfs/dbraw/zinc/04/71/67/1076047167.db2.gz YZQLNETXPSDEEE-UHFFFAOYSA-N 0 0 350.422 2.749 20 10 FFCDRN COC(=O)[C@]1(NC(=O)c2cccc(O)c2O)CC[C@H](C)c2ccccc21 ZINC001558815340 1076081521 /nfs/dbraw/zinc/08/15/21/1076081521.db2.gz JMAFPOPVABSYBU-YUNKPMOVSA-N 0 0 355.390 2.793 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)s1 ZINC001559416571 1076156960 /nfs/dbraw/zinc/15/69/60/1076156960.db2.gz OTXFAYQAQGXHFH-UHFFFAOYSA-N 0 0 367.408 2.877 20 10 FFCDRN COC(=O)c1cc(OCC(=O)Nc2cc(F)ccc2F)ccc1N(C)C ZINC001559456457 1076162400 /nfs/dbraw/zinc/16/24/00/1076162400.db2.gz DNHCIKPNUQYRIJ-UHFFFAOYSA-N 0 0 364.348 2.835 20 10 FFCDRN CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3cc(Cl)cc(C(C)=O)c3O)C[C@@H]21 ZINC001560140632 1076234135 /nfs/dbraw/zinc/23/41/35/1076234135.db2.gz STGZCCHMKJLRFD-VNQPRFMTSA-N 0 0 351.830 2.879 20 10 FFCDRN COCCN1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001560340185 1076265219 /nfs/dbraw/zinc/26/52/19/1076265219.db2.gz RBJQROYWBNKGDO-GFCCVEGCSA-N 0 0 363.683 2.618 20 10 FFCDRN Cc1cccc(CN2CCO[C@H](C[NH2+]Cc3cc(F)cc(F)c3[O-])C2)c1 ZINC001560561505 1076279954 /nfs/dbraw/zinc/27/99/54/1076279954.db2.gz QLQZZFSTLMWWAN-GOSISDBHSA-N 0 0 362.420 2.969 20 10 FFCDRN Cn1ccnc1[C@@H](NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC001560625825 1076285806 /nfs/dbraw/zinc/28/58/06/1076285806.db2.gz PCMBFFDATUJHOS-OAHLLOKOSA-N 0 0 354.376 2.650 20 10 FFCDRN CCn1cc(CN(C)Cc2c3cc(F)ccc3n(C)c2C(=O)OC)cn1 ZINC001560639980 1076287165 /nfs/dbraw/zinc/28/71/65/1076287165.db2.gz IHWWPPJUXWXFPV-UHFFFAOYSA-N 0 0 358.417 2.952 20 10 FFCDRN CC(C)(C)OC(=O)[C@@]12COC[C@@H]1C[N@H+](Cc1cc(Cl)c(F)cc1[O-])C2 ZINC001560925156 1076310041 /nfs/dbraw/zinc/31/00/41/1076310041.db2.gz CWIXMRTUSMHVLB-SGTLLEGYSA-N 0 0 371.836 2.975 20 10 FFCDRN COc1cc(C)c(C[N@@H+]2Cc3cccnc3N3C[C@H](OC)C[C@@H]3C2)c(O)c1 ZINC001560968624 1076314370 /nfs/dbraw/zinc/31/43/70/1076314370.db2.gz QLWTYPUBPAJXFO-SJLPKXTDSA-N 0 0 369.465 2.714 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)N=[S@@](C)(=O)C2CCCCC2)cc1 ZINC001561085916 1076330436 /nfs/dbraw/zinc/33/04/36/1076330436.db2.gz NGZYAXXNRCLISU-QHCPKHFHSA-N 0 0 373.544 2.518 20 10 FFCDRN COC(=O)c1c(Cl)cccc1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC001561838122 1076431768 /nfs/dbraw/zinc/43/17/68/1076431768.db2.gz OMIZZGCMYXLNHK-JTQLQIEISA-N 0 0 369.826 2.872 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC/C=C/Cl)cc2F)C[C@@H](C)O1 ZINC001563677963 1076575124 /nfs/dbraw/zinc/57/51/24/1076575124.db2.gz CDFJBXJEHXBSPV-QNTSXVQBSA-N 0 0 355.841 2.991 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)N3C[C@H](C)[C@H](C)[C@@H]3C)CC2)cc1 ZINC001563811415 1076585056 /nfs/dbraw/zinc/58/50/56/1076585056.db2.gz XTWLIXJKKNTMDU-BZSNNMDCSA-N 0 0 374.529 2.503 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1c2ccccc2CC[C@H]1O ZINC001564008063 1076599110 /nfs/dbraw/zinc/59/91/10/1076599110.db2.gz UHKGGVGAPASMPO-UXHICEINSA-N 0 0 353.466 2.909 20 10 FFCDRN CO[C@@]1(CNC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCSC1 ZINC001564946769 1076672209 /nfs/dbraw/zinc/67/22/09/1076672209.db2.gz VTZVFSXQMPAECA-HNAYVOBHSA-N 0 0 365.543 2.813 20 10 FFCDRN Cc1cc(CNC(=O)NC[C@H](O)[C@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC001565192705 1076695876 /nfs/dbraw/zinc/69/58/76/1076695876.db2.gz DHUWMFPCVQNNOJ-VQTJNVASSA-N 0 0 371.481 2.742 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)COCC(=O)OC(C)(C)C ZINC001568137577 1077074143 /nfs/dbraw/zinc/07/41/43/1077074143.db2.gz XNSODWBDYJAKIC-UHFFFAOYSA-N 0 0 351.443 2.879 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC001570417947 1077205304 /nfs/dbraw/zinc/20/53/04/1077205304.db2.gz ATDGMNKYHSANFE-YWZLYKJASA-N 0 0 365.477 2.983 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3coc(=O)c4ccccc34)C2)cc1 ZINC001585988693 1079521670 /nfs/dbraw/zinc/52/16/70/1079521670.db2.gz PMMNOFWZZNTDKX-AWEZNQCLSA-N 0 0 364.401 2.810 20 10 FFCDRN COc1nnc(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)s1 ZINC001586605825 1079655983 /nfs/dbraw/zinc/65/59/83/1079655983.db2.gz VJAUXQYTRAPRHK-UHFFFAOYSA-N 0 0 370.434 2.948 20 10 FFCDRN CCCCO[C@H](C)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001587486949 1079799483 /nfs/dbraw/zinc/79/94/83/1079799483.db2.gz MHWYYVWAYGSEGE-OAHLLOKOSA-N 0 0 350.459 2.558 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC001588155880 1079938531 /nfs/dbraw/zinc/93/85/31/1079938531.db2.gz IHVXWPNOEISIMO-UHFFFAOYSA-N 0 0 352.350 2.963 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cnc2c(c1)c(C(F)(F)F)nn2C ZINC001588156272 1079938673 /nfs/dbraw/zinc/93/86/73/1079938673.db2.gz SHFXVAOJQQRYFN-UHFFFAOYSA-N 0 0 364.327 2.965 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCc3ccc(-c4nn[nH]n4)cc32)c1O ZINC001588902420 1080252696 /nfs/dbraw/zinc/25/26/96/1080252696.db2.gz ZYJYZUIINQTFDU-UHFFFAOYSA-N 0 0 369.812 2.991 20 10 FFCDRN C[C@@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589951598 1080898749 /nfs/dbraw/zinc/89/87/49/1080898749.db2.gz HTRUFAPPEWWJGG-LLVKDONJSA-N 0 0 365.393 2.641 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589969766 1080912225 /nfs/dbraw/zinc/91/22/25/1080912225.db2.gz MXQZGGBGKNEDIV-SECBINFHSA-N 0 0 364.331 2.837 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589974429 1080915417 /nfs/dbraw/zinc/91/54/17/1080915417.db2.gz VRCBPFGUBVIQRJ-MEBBXXQBSA-N 0 0 355.373 2.886 20 10 FFCDRN C[C@@H](Nc1cccc(N2CCOCC2)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589985209 1080922970 /nfs/dbraw/zinc/92/29/70/1080922970.db2.gz FCZAOXLNZADJGW-CYBMUJFWSA-N 0 0 366.425 2.582 20 10 FFCDRN COc1cc(Cl)cc(CN2CCNC(=O)[C@@H]2c2cccs2)c1O ZINC000359956280 210200614 /nfs/dbraw/zinc/20/06/14/210200614.db2.gz DJUABRZWEUMMLX-AWEZNQCLSA-N 0 0 352.843 2.789 20 10 FFCDRN COc1cc(Cl)cc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000375262182 512238669 /nfs/dbraw/zinc/23/86/69/512238669.db2.gz OXYLNOXDFMLQQO-HNNXBMFYSA-N 0 0 365.861 2.978 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc(Br)cc(F)c1[O-] ZINC000373252338 512241568 /nfs/dbraw/zinc/24/15/68/512241568.db2.gz NABMFIVPXWWTOS-WCFLWFBJSA-N 0 0 373.266 2.808 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2COc3cc(F)cc(F)c32)c1 ZINC000373284104 512255594 /nfs/dbraw/zinc/25/55/94/512255594.db2.gz JYYABRNCTBBIMJ-ZDUSSCGKSA-N 0 0 350.321 2.612 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(=O)Cc1cccs1 ZINC000377459291 512278070 /nfs/dbraw/zinc/27/80/70/512278070.db2.gz GQNLMRMXUGWRAA-INIZCTEOSA-N 0 0 358.463 2.646 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)COc1cccc(N2CCCC2=O)c1 ZINC000053915090 506461072 /nfs/dbraw/zinc/46/10/72/506461072.db2.gz HMLNNEYYJNDNQL-UHFFFAOYSA-N 0 0 354.406 2.556 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000053916085 506461458 /nfs/dbraw/zinc/46/14/58/506461458.db2.gz XBDWUFFZWXPBOC-LJQANCHMSA-N 0 0 366.461 2.832 20 10 FFCDRN COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1 ZINC000041419437 506517472 /nfs/dbraw/zinc/51/74/72/506517472.db2.gz CIGRGAUYZXOXCO-UHFFFAOYSA-N 0 0 353.422 2.616 20 10 FFCDRN Cc1ncc2c(n1)CC[C@@H](NC(=O)NCc1ccc3c(c1)CCCN3C)C2 ZINC000377476440 512285379 /nfs/dbraw/zinc/28/53/79/512285379.db2.gz YUSCKDZHJJEKQH-GOSISDBHSA-N 0 0 365.481 2.524 20 10 FFCDRN CCCc1ccc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000055290031 506719753 /nfs/dbraw/zinc/71/97/53/506719753.db2.gz CVEDUPUHTNIWDY-UHFFFAOYSA-N 0 0 368.480 2.811 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCc1ccccc1CN1CCOCC1 ZINC000043862964 506792724 /nfs/dbraw/zinc/79/27/24/506792724.db2.gz GWGCRVJXOGDJRA-UHFFFAOYSA-N 0 0 369.465 2.566 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCN1C(=O)Cc1ccccc1 ZINC000067843517 507024030 /nfs/dbraw/zinc/02/40/30/507024030.db2.gz IUZZAMRGNIEICF-SFHVURJKSA-N 0 0 352.434 2.584 20 10 FFCDRN COCCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000046405317 507132048 /nfs/dbraw/zinc/13/20/48/507132048.db2.gz QGQXSVCEHQNVOV-UHFFFAOYSA-N 0 0 360.376 2.585 20 10 FFCDRN COc1cccc(CNC(=O)c2cccc(NC(=O)NC(C)C)c2)c1O ZINC000068489057 507248818 /nfs/dbraw/zinc/24/88/18/507248818.db2.gz LNAFOLTYJXAQPC-UHFFFAOYSA-N 0 0 357.410 2.861 20 10 FFCDRN CCn1cc(NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)ccc1=O ZINC000068634196 507284405 /nfs/dbraw/zinc/28/44/05/507284405.db2.gz KQAUTAUBSDPPHR-UHFFFAOYSA-N 0 0 370.453 2.621 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000047293549 507304601 /nfs/dbraw/zinc/30/46/01/507304601.db2.gz QQXVPNDUKJIFOP-UHFFFAOYSA-N 0 0 373.384 2.625 20 10 FFCDRN CC(C)Oc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000049153090 507597976 /nfs/dbraw/zinc/59/79/76/507597976.db2.gz XNBWKOKQLZRTOT-UHFFFAOYSA-N 0 0 355.438 2.795 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1 ZINC000028303936 507718639 /nfs/dbraw/zinc/71/86/39/507718639.db2.gz GGXCVXFSZNYTHT-UHFFFAOYSA-N 0 0 365.433 2.678 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000369339434 512358574 /nfs/dbraw/zinc/35/85/74/512358574.db2.gz NUECUFGASCTFHB-PMGBHYCQSA-N 0 0 370.409 2.899 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@@H](COC(C)C)C2)c1O ZINC000373488321 512357182 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510967193 /nfs/dbraw/zinc/96/71/93/510967193.db2.gz UONVGEFWSYECTQ-UHFFFAOYSA-N 0 0 353.470 2.550 20 10 FFCDRN CN(CC(=O)NCc1cccc(Br)c1O)C(=O)OC(C)(C)C ZINC000277612452 510967458 /nfs/dbraw/zinc/96/74/58/510967458.db2.gz VKZLBBZWJYMLQZ-UHFFFAOYSA-N 0 0 373.247 2.638 20 10 FFCDRN CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000285602543 510973491 /nfs/dbraw/zinc/97/34/91/510973491.db2.gz YKFGBMUXNSXETJ-HXUWFJFHSA-N 0 0 357.498 2.940 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000278128036 510981820 /nfs/dbraw/zinc/98/18/20/510981820.db2.gz NSOFYPRHYLUMMR-IIAWOOMASA-N 0 0 364.829 2.767 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1csc(S(N)(=O)=O)c1 ZINC000282451676 510983543 /nfs/dbraw/zinc/98/35/43/510983543.db2.gz IXFJAMIANXWBJR-UHFFFAOYSA-N 0 0 368.480 2.544 20 10 FFCDRN COc1c([O-])c(C[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278251233 510986533 /nfs/dbraw/zinc/98/65/33/510986533.db2.gz PDXYGGHOSXXJTL-NSHDSACASA-N 0 0 369.418 2.654 20 10 FFCDRN C[C@H]1C[C@@H](NC(=O)c2cccc(O)c2O)CCN1C(=O)OC(C)(C)C ZINC000278273990 510986835 /nfs/dbraw/zinc/98/68/35/510986835.db2.gz HUOFJYXRJOSAHJ-RYUDHWBXSA-N 0 0 350.415 2.616 20 10 FFCDRN COc1ccc(O)c([C@@H](C)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1 ZINC000278466111 510993359 /nfs/dbraw/zinc/99/33/59/510993359.db2.gz NFSLRLRWTXPSPB-CYBMUJFWSA-N 0 0 368.441 2.747 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)ccc1[N+](=O)[O-] ZINC000278535974 510996928 /nfs/dbraw/zinc/99/69/28/510996928.db2.gz VZMUNIXBPAXQFF-CQSZACIVSA-N 0 0 370.764 2.925 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000278636818 511001745 /nfs/dbraw/zinc/00/17/45/511001745.db2.gz HIRIEKXOGLUKHB-NSHDSACASA-N 0 0 360.366 2.931 20 10 FFCDRN COCCN(Cc1ccc(C(=O)OC)cn1)c1ccc(OC)c(OC)c1 ZINC000285807286 511015593 /nfs/dbraw/zinc/01/55/93/511015593.db2.gz ZBTNFMOWZCTAPS-UHFFFAOYSA-N 0 0 360.410 2.538 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccncn3)cc2F)C[C@@H](C)O1 ZINC000279130392 511019386 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COc1ccc(N2CCN(C(=O)c3cnc4cnccc4c3)CC2)cc1F ZINC000282614567 511046667 /nfs/dbraw/zinc/04/66/67/511046667.db2.gz FHDFBYCPUXWZOB-UHFFFAOYSA-N 0 0 366.396 2.740 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)cc1 ZINC000287335374 511046781 /nfs/dbraw/zinc/04/67/81/511046781.db2.gz MEMSISAITMMCEA-SJLPKXTDSA-N 0 0 360.502 2.587 20 10 FFCDRN CNC(=O)CC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287394466 511048538 /nfs/dbraw/zinc/04/85/38/511048538.db2.gz CBVPQOWOLAVLNP-LJQANCHMSA-N 0 0 372.513 2.877 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)/N=c2/ccnc3n(C)[nH]cc2-3)cc1 ZINC000287564608 511053000 /nfs/dbraw/zinc/05/30/00/511053000.db2.gz KNFAQUBWQUGROT-QJOMJCCJSA-N 0 0 352.442 2.510 20 10 FFCDRN CC[C@@H](C)[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000297752657 511057362 /nfs/dbraw/zinc/05/73/62/511057362.db2.gz KLYCQMOHHXZQGT-APWZRJJASA-N 0 0 363.502 2.726 20 10 FFCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3CN2C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287803353 511058383 /nfs/dbraw/zinc/05/83/83/511058383.db2.gz ZWFQQXRASDEKGC-KRFUXDQASA-N 0 0 355.482 2.852 20 10 FFCDRN C[C@H]1CCC[C@@H](N(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000288003975 511062537 /nfs/dbraw/zinc/06/25/37/511062537.db2.gz BHWZLNDDBSWZSO-QFBILLFUSA-N 0 0 355.482 2.716 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000288009332 511062606 /nfs/dbraw/zinc/06/26/06/511062606.db2.gz CCSVSPOSKQISAC-HNNXBMFYSA-N 0 0 372.444 2.754 20 10 FFCDRN CC[C@@H]1CCN1C(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000297792579 511070092 /nfs/dbraw/zinc/07/00/92/511070092.db2.gz KOTVQRGCUZDZNN-LLVKDONJSA-N 0 0 364.357 2.995 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc(C2CC2)cs1 ZINC000289234429 511096125 /nfs/dbraw/zinc/09/61/25/511096125.db2.gz SDTZGCSTCYWWPA-UHFFFAOYSA-N 0 0 373.478 2.781 20 10 FFCDRN COCc1cc(Cl)cc(S(=O)(=O)NCc2cccc(OC)c2O)c1 ZINC000289378587 511099705 /nfs/dbraw/zinc/09/97/05/511099705.db2.gz CATCTASPHWIECA-UHFFFAOYSA-N 0 0 371.842 2.679 20 10 FFCDRN 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FFCDRN Cc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2O)N2CCOCC2)o1 ZINC000298751304 511398245 /nfs/dbraw/zinc/39/82/45/511398245.db2.gz MQSOQZXHCFRTSE-KRWDZBQOSA-N 0 0 373.453 2.509 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C)C)nc1 ZINC000283543185 511408792 /nfs/dbraw/zinc/40/87/92/511408792.db2.gz HPKOAQVVRFUNEO-UHFFFAOYSA-N 0 0 370.453 2.621 20 10 FFCDRN CCN1CC(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O ZINC000272051872 511413672 /nfs/dbraw/zinc/41/36/72/511413672.db2.gz BLTWEMXRUBAWDH-CYBMUJFWSA-N 0 0 353.369 2.541 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)/C=C/c3cnccn3)cc2F)C[C@H](C)O1 ZINC000298934125 511457227 /nfs/dbraw/zinc/45/72/27/511457227.db2.gz BYKOGPRUQDGLCL-PGXISHIXSA-N 0 0 370.428 2.559 20 10 FFCDRN CN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283700050 511467429 /nfs/dbraw/zinc/46/74/29/511467429.db2.gz LAMVUEONSSFOLL-UHFFFAOYSA-N 0 0 351.450 2.562 20 10 FFCDRN CN(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1 ZINC000363296245 511468429 /nfs/dbraw/zinc/46/84/29/511468429.db2.gz UZCWHOZUFFKZTQ-HIFRSBDPSA-N 0 0 369.412 2.687 20 10 FFCDRN COC1CCN(c2ccc(CN[C@](C)(C(N)=O)c3ccccc3)cc2)CC1 ZINC000295684686 511482009 /nfs/dbraw/zinc/48/20/09/511482009.db2.gz MYNFDKINGDIUSF-QFIPXVFZSA-N 0 0 367.493 2.792 20 10 FFCDRN Cc1sc(=O)n(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC000299070487 511504603 /nfs/dbraw/zinc/50/46/03/511504603.db2.gz FFTFBXKXVHQSBJ-UHFFFAOYSA-N 0 0 359.495 2.784 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000280549632 511506724 /nfs/dbraw/zinc/50/67/24/511506724.db2.gz MSIBNDZLYGETOR-LBPRGKRZSA-N 0 0 369.421 2.743 20 10 FFCDRN O=C(NCc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283820793 511510956 /nfs/dbraw/zinc/51/09/56/511510956.db2.gz YLFAKSAJMXUXIX-UHFFFAOYSA-N 0 0 371.868 2.873 20 10 FFCDRN Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCSCC3)c2)c(O)c1O ZINC000272881272 511511296 /nfs/dbraw/zinc/51/12/96/511511296.db2.gz XSWKPPGBABGKFK-UHFFFAOYSA-N 0 0 372.446 2.848 20 10 FFCDRN Cc1ccncc1/C=C/C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000272914916 511512676 /nfs/dbraw/zinc/51/26/76/511512676.db2.gz HMASGOIEKDXKRM-HWKANZROSA-N 0 0 355.413 2.695 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCCCCNC(=O)OC(C)(C)C ZINC000273056393 511516057 /nfs/dbraw/zinc/51/60/57/511516057.db2.gz YABWPGVXNFADOC-UHFFFAOYSA-N 0 0 351.447 2.839 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000273367245 511523716 /nfs/dbraw/zinc/52/37/16/511523716.db2.gz FHUUHHHAVJSTAY-KBPBESRZSA-N 0 0 356.422 2.534 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NC(=O)C(C)(C)C)nc1 ZINC000295847626 511534799 /nfs/dbraw/zinc/53/47/99/511534799.db2.gz XGQBUIOQXJRQKO-LBPRGKRZSA-N 0 0 371.437 2.838 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@]12CCCO2 ZINC000273705865 511580968 /nfs/dbraw/zinc/58/09/68/511580968.db2.gz PHPUKRVMQYNQNZ-NLWGTHIKSA-N 0 0 361.486 2.621 20 10 FFCDRN COc1cc(Cl)cc(CN2CCn3c(nnc3C(F)(F)F)C2)c1O ZINC000273737794 511592378 /nfs/dbraw/zinc/59/23/78/511592378.db2.gz LGXUCUDKECWXGO-UHFFFAOYSA-N 0 0 362.739 2.680 20 10 FFCDRN Cc1cnc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000284154550 511625039 /nfs/dbraw/zinc/62/50/39/511625039.db2.gz QSPGBTGMGAQUCV-CQSZACIVSA-N 0 0 372.494 2.545 20 10 FFCDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cccc(OC)c2O)cc1 ZINC000280846407 511626398 /nfs/dbraw/zinc/62/63/98/511626398.db2.gz YYUJBLCBLNOOSM-ZDUSSCGKSA-N 0 0 372.421 2.694 20 10 FFCDRN CCOC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCCC1 ZINC000296193055 511650525 /nfs/dbraw/zinc/65/05/25/511650525.db2.gz CMASDAYRVJAORX-UHFFFAOYSA-N 0 0 361.486 2.672 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1COc2ccccc2[C@H]1O ZINC000292589587 511653194 /nfs/dbraw/zinc/65/31/94/511653194.db2.gz VSCFVNYPIDRAHL-AZUAARDMSA-N 0 0 367.449 2.581 20 10 FFCDRN O=C(CC1OCCCO1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000284244595 511655839 /nfs/dbraw/zinc/65/58/39/511655839.db2.gz JYYYQBUJTBBUDW-UHFFFAOYSA-N 0 0 351.358 2.554 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000299571923 511664847 /nfs/dbraw/zinc/66/48/47/511664847.db2.gz UTRYYCWTYBTFAB-SFHVURJKSA-N 0 0 355.482 2.552 20 10 FFCDRN COc1nccnc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000296230319 511664903 /nfs/dbraw/zinc/66/49/03/511664903.db2.gz CERCNVLFGAKWNX-KBPBESRZSA-N 0 0 360.433 2.528 20 10 FFCDRN Cc1n[nH]c(C)c1[C@@H]1CCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000299704552 511666684 /nfs/dbraw/zinc/66/66/84/511666684.db2.gz PLQASOAMEPKSCW-SFHVURJKSA-N 0 0 355.486 2.546 20 10 FFCDRN COc1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1F ZINC000301599356 511698728 /nfs/dbraw/zinc/69/87/28/511698728.db2.gz HWIHCUJJRACZAK-UHFFFAOYSA-N 0 0 361.329 2.710 20 10 FFCDRN CCc1cc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)ccc1O ZINC000292772511 511714264 /nfs/dbraw/zinc/71/42/64/511714264.db2.gz GNSVSFDGSHIPJO-UHFFFAOYSA-N 0 0 367.449 2.875 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]1CCC(=O)[C@H]1C ZINC000281256954 511776588 /nfs/dbraw/zinc/77/65/88/511776588.db2.gz QNWXVANQFVKAKQ-RYUDHWBXSA-N 0 0 367.829 2.553 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)[C@@H]3CCO[C@H](C)C3)cc2)CC1 ZINC000296661414 511841959 /nfs/dbraw/zinc/84/19/59/511841959.db2.gz JXLPPNYZSVLPRG-VQIMIIECSA-N 0 0 366.527 2.910 20 10 FFCDRN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NCc1cc2c(cc1O)OCO2 ZINC000281442264 511848859 /nfs/dbraw/zinc/84/88/59/511848859.db2.gz SELUQKMPYOYIML-KRWDZBQOSA-N 0 0 370.405 2.651 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3C3CC3)cc2F)C[C@H](C)O1 ZINC000274561679 511874664 /nfs/dbraw/zinc/87/46/64/511874664.db2.gz ZJUOHMVHAKWPBI-BETUJISGSA-N 0 0 372.444 2.970 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@@]12CCOC2 ZINC000364094972 511955471 /nfs/dbraw/zinc/95/54/71/511955471.db2.gz HQJJJBAUMBUFCQ-XJKSGUPXSA-N 0 0 354.244 2.930 20 10 FFCDRN Cc1nnc([C@@H]2CCCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)[nH]1 ZINC000274837638 511958829 /nfs/dbraw/zinc/95/88/29/511958829.db2.gz AIAUDXNTTKAUDF-QGZVFWFLSA-N 0 0 368.485 2.585 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCC(C)(C)O ZINC000274921256 511987480 /nfs/dbraw/zinc/98/74/80/511987480.db2.gz JBHRULXRYDAROD-UHFFFAOYSA-N 0 0 359.264 2.847 20 10 FFCDRN CCCN(CCC)C(=O)CCCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274929042 511990432 /nfs/dbraw/zinc/99/04/32/511990432.db2.gz NBSDYEZQUWBLPJ-HNNXBMFYSA-N 0 0 364.486 2.964 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc(C(OC)OC)o3)CC2)cc1 ZINC000364183997 512006372 /nfs/dbraw/zinc/00/63/72/512006372.db2.gz AWSYHLONSCWSLZ-UHFFFAOYSA-N 0 0 374.437 2.932 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC[N@@H+](C2CC2)C1 ZINC000297108036 512023029 /nfs/dbraw/zinc/02/30/29/512023029.db2.gz FRORAYAKRSNYMO-KRWDZBQOSA-N 0 0 354.498 2.689 20 10 FFCDRN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000282025766 512050253 /nfs/dbraw/zinc/05/02/53/512050253.db2.gz UTDSGIIRRVBGBB-CYBMUJFWSA-N 0 0 364.442 2.865 20 10 FFCDRN CCOC(=O)[C@H](NCc1cc(OC)ccc1O)c1ccc(OC)c(F)c1 ZINC000275132676 512051152 /nfs/dbraw/zinc/05/11/52/512051152.db2.gz MJKHYIGXCTYRJL-GOSISDBHSA-N 0 0 363.385 2.943 20 10 FFCDRN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCc1ccccc1O ZINC000297200301 512058704 /nfs/dbraw/zinc/05/87/04/512058704.db2.gz OAUUUAKKLVHSSB-CYBMUJFWSA-N 0 0 351.447 2.885 20 10 FFCDRN CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000375787555 512506510 /nfs/dbraw/zinc/50/65/10/512506510.db2.gz HEHLHYOQXFNHDL-PBHICJAKSA-N 0 0 357.429 2.950 20 10 FFCDRN CC(=O)N1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC000368039553 512775448 /nfs/dbraw/zinc/77/54/48/512775448.db2.gz XXJWZHCWCURTDH-MNDMWVCDSA-N 0 0 352.390 2.725 20 10 FFCDRN COc1ccc(CNC(=O)NC[C@H]2CC(c3ccc(C)cc3)=NO2)c(O)c1 ZINC000374395080 512812802 /nfs/dbraw/zinc/81/28/02/512812802.db2.gz KLNATTYJOPBAMU-QGZVFWFLSA-N 0 0 369.421 2.702 20 10 FFCDRN O=C(c1cc2c(cn1)OCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000374645171 512934196 /nfs/dbraw/zinc/93/41/96/512934196.db2.gz IKCPTDGANKHIBU-QGZVFWFLSA-N 0 0 368.433 2.934 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)ccc1[N+](=O)[O-] ZINC000368468694 512962459 /nfs/dbraw/zinc/96/24/59/512962459.db2.gz GCDHPSPOFMEXMK-HNNXBMFYSA-N 0 0 371.393 2.897 20 10 FFCDRN CC[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc(Cl)c1[O-] ZINC000376902505 513040655 /nfs/dbraw/zinc/04/06/55/513040655.db2.gz JBKBYQVWPKVLTD-MIUNTBIASA-N 0 0 365.861 2.807 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cnc2c(c1)COCC2 ZINC000374879398 513051213 /nfs/dbraw/zinc/05/12/13/513051213.db2.gz REZUJXPBUCFTBZ-UHFFFAOYSA-N 0 0 350.422 2.852 20 10 FFCDRN COC(=O)[C@H](NC1CCN(c2ccc(OC)cc2)CC1)c1cccc(O)c1 ZINC000372813229 513054781 /nfs/dbraw/zinc/05/47/81/513054781.db2.gz FDDPMFXRZQJGSC-HXUWFJFHSA-N 0 0 370.449 2.874 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000370733447 513076019 /nfs/dbraw/zinc/07/60/19/513076019.db2.gz FYVWVQMCHWFELX-KRWDZBQOSA-N 0 0 355.486 2.953 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCc3n[nH]cc3C2)C2CC2)cc1 ZINC000370733796 513076471 /nfs/dbraw/zinc/07/64/71/513076471.db2.gz PQFCBLYUXPKUOX-INIZCTEOSA-N 0 0 353.470 2.707 20 10 FFCDRN COC1([C@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)CCOCC1 ZINC000420832587 514325769 /nfs/dbraw/zinc/32/57/69/514325769.db2.gz DLBJOEPKPOZZGP-HNNXBMFYSA-N 0 0 359.470 2.870 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2cnn(C)c2)o1 ZINC000450051183 514481751 /nfs/dbraw/zinc/48/17/51/514481751.db2.gz VUTYJMFQYOYTAL-UHFFFAOYSA-N 0 0 352.394 2.785 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cn1cc(Br)cn1 ZINC000471218720 514802063 /nfs/dbraw/zinc/80/20/63/514802063.db2.gz NETPSPWIWIYWMO-UHFFFAOYSA-N 0 0 361.243 2.762 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(C(=O)N(C)C)nc1C ZINC000471226320 514804596 /nfs/dbraw/zinc/80/45/96/514804596.db2.gz ILMHDFWTPNFQPP-UHFFFAOYSA-N 0 0 364.449 2.822 20 10 FFCDRN Cc1csc2ncc(C(=O)NCc3c(C)c4ccccc4n3C)c(=O)n12 ZINC000471231188 514807139 /nfs/dbraw/zinc/80/71/39/514807139.db2.gz DMXHAVJTQXHSFU-UHFFFAOYSA-N 0 0 366.446 2.795 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000471922982 515055311 /nfs/dbraw/zinc/05/53/11/515055311.db2.gz WMYRKBZAYBQYOA-OAHLLOKOSA-N 0 0 356.470 2.687 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000471932739 515060262 /nfs/dbraw/zinc/06/02/62/515060262.db2.gz OYXHFHUCCRULLW-JKSUJKDBSA-N 0 0 370.497 2.933 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCOC[C@@H]1CCOC1 ZINC000472228566 515177529 /nfs/dbraw/zinc/17/75/29/515177529.db2.gz FDWKEZRTCGOPPH-INIZCTEOSA-N 0 0 359.470 2.729 20 10 FFCDRN COCCOC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472288970 515206567 /nfs/dbraw/zinc/20/65/67/515206567.db2.gz XEGBSLZKBWJDEL-UHFFFAOYSA-N 0 0 359.470 2.824 20 10 FFCDRN COc1ccccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472786351 515397378 /nfs/dbraw/zinc/39/73/78/515397378.db2.gz LDEFVVGEOSRUTQ-UHFFFAOYSA-N 0 0 351.406 2.750 20 10 FFCDRN CCc1ncsc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472789561 515398772 /nfs/dbraw/zinc/39/87/72/515398772.db2.gz QRWZLYRYKPSHMG-UHFFFAOYSA-N 0 0 356.451 2.761 20 10 FFCDRN CCOc1ncccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472809468 515406119 /nfs/dbraw/zinc/40/61/19/515406119.db2.gz KQRKABHQLVNFKR-UHFFFAOYSA-N 0 0 366.421 2.535 20 10 FFCDRN COCCOc1cncc(C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000510774619 515664658 /nfs/dbraw/zinc/66/46/58/515664658.db2.gz VWYMRBVETWHFPV-UHFFFAOYSA-N 0 0 353.422 2.837 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@]3(CCOC)CCOC3)ccc21 ZINC000487481872 515876143 /nfs/dbraw/zinc/87/61/43/515876143.db2.gz RNZWGPQRGZXOGM-NRFANRHFSA-N 0 0 374.481 2.830 20 10 FFCDRN COc1ccc(N(Cc2ccco2)C(=O)c2ccoc2CC(N)=O)cc1F ZINC000513298582 516561398 /nfs/dbraw/zinc/56/13/98/516561398.db2.gz NHBFZZGCXOUABO-UHFFFAOYSA-N 0 0 372.352 2.895 20 10 FFCDRN CCO[C@@H]1C[C@H]1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000514708052 517013928 /nfs/dbraw/zinc/01/39/28/517013928.db2.gz LIDMSGZSYDRUJV-YLJYHZDGSA-N 0 0 355.482 2.701 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000525731167 517140691 /nfs/dbraw/zinc/14/06/91/517140691.db2.gz XBTVABMFWVHYCZ-HNNXBMFYSA-N 0 0 365.433 2.531 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000530207285 517631261 /nfs/dbraw/zinc/63/12/61/517631261.db2.gz FNXWABUQNOSQCF-IDYSPNNHSA-N 0 0 352.818 2.622 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000528282730 518163641 /nfs/dbraw/zinc/16/36/41/518163641.db2.gz RONKZWBGGAMDFM-LFNDISMMSA-N 0 0 357.248 2.766 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCSC(C)(C)CC1 ZINC000570595569 518685166 /nfs/dbraw/zinc/68/51/66/518685166.db2.gz PFIQSFYAEDQFRU-UHFFFAOYSA-N 0 0 373.522 2.847 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC[C@H]1CCCCS1 ZINC000580473009 519193064 /nfs/dbraw/zinc/19/30/64/519193064.db2.gz FVOALOSNCAUTDB-CQSZACIVSA-N 0 0 359.495 2.505 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](Nc2ncccn2)C1 ZINC000580546739 519232750 /nfs/dbraw/zinc/23/27/50/519232750.db2.gz FFIMWCDREGLXGM-OAHLLOKOSA-N 0 0 364.453 2.673 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)C[C@H]2C[C@@H](O)C2)CCCC1 ZINC000629255715 522046030 /nfs/dbraw/zinc/04/60/30/522046030.db2.gz YIBVAEMJVCJLGG-GASCZTMLSA-N 0 0 356.466 2.758 20 10 FFCDRN COc1ccc(N2CCCN(c3ccc(-c4nn[nH]n4)cc3F)CC2)cc1 ZINC000737099601 598240516 /nfs/dbraw/zinc/24/05/16/598240516.db2.gz NNAPSRYUOPYNEQ-UHFFFAOYSA-N 0 0 368.416 2.731 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)c1O ZINC000740098750 600281651 /nfs/dbraw/zinc/28/16/51/600281651.db2.gz UAMMNHLRUHYLNJ-OAHLLOKOSA-N 0 0 368.433 2.830 20 10 FFCDRN C[C@@H](CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738902285 602650448 /nfs/dbraw/zinc/65/04/48/602650448.db2.gz BMGBPHFXQUJOAE-ZDUSSCGKSA-N 0 0 350.419 2.721 20 10 FFCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1 ZINC000825464049 604933068 /nfs/dbraw/zinc/93/30/68/604933068.db2.gz BQNLNNADPRBMKK-BQFCYCMXSA-N 0 0 361.486 2.952 20 10 FFCDRN COc1ccc(N(C)CCCOc2ccc(-c3nn[nH]n3)cc2)c(OC)c1 ZINC000826209273 607753885 /nfs/dbraw/zinc/75/38/85/607753885.db2.gz USRPCSFYVRYRFH-UHFFFAOYSA-N 0 0 369.425 2.789 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(NC(=O)[O-])nc1 ZINC000833874417 605464102 /nfs/dbraw/zinc/46/41/02/605464102.db2.gz LWXUWLMEDVPUQV-UHFFFAOYSA-N 0 0 356.426 2.640 20 10 FFCDRN O=C([O-])N1CCC[C@H]1C1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000834107362 605496053 /nfs/dbraw/zinc/49/60/53/605496053.db2.gz MRCIOWYXHOSMHG-FQEVSTJZSA-N 0 0 373.497 2.878 20 10 FFCDRN O=C([O-])N1CCC[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000834102471 606033779 /nfs/dbraw/zinc/03/37/79/606033779.db2.gz CICIXMSFYIIAMI-SFHVURJKSA-N 0 0 361.486 2.517 20 10 FFCDRN Fc1cc(NNC(=S)Nc2ccccc2-c2nn[nH]n2)cc(F)c1F ZINC000822753176 606168188 /nfs/dbraw/zinc/16/81/88/606168188.db2.gz HPXUKTHWUFOKEC-UHFFFAOYSA-N 0 0 365.344 2.598 20 10 FFCDRN COc1ccc(N(C)CCCOc2cccc(-c3nn[nH]n3)c2)cc1OC ZINC000821827802 606888059 /nfs/dbraw/zinc/88/80/59/606888059.db2.gz JOFZIJNISQWDKN-UHFFFAOYSA-N 0 0 369.425 2.789 20 10 FFCDRN CN(C)c1ccc(CN2CCO[C@H](c3cccc(-c4nn[nH]n4)c3)C2)cc1 ZINC000825880043 608849617 /nfs/dbraw/zinc/84/96/17/608849617.db2.gz VPFKSMZRVMEGOW-IBGZPJMESA-N 0 0 364.453 2.506 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000826256525 609381753 /nfs/dbraw/zinc/38/17/53/609381753.db2.gz NUXKPUNGIDLWAX-UHFFFAOYSA-N 0 0 374.242 2.933 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCCS1(=O)=O ZINC000153593030 728783657 /nfs/dbraw/zinc/78/36/57/728783657.db2.gz IZKPIUOZHSEXOO-MRXNPFEDSA-N 0 0 360.479 2.710 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@H](O)c1c(F)cccc1F ZINC000154561681 728807031 /nfs/dbraw/zinc/80/70/31/728807031.db2.gz SNILUCPJVXJTPT-LBPRGKRZSA-N 0 0 373.450 2.936 20 10 FFCDRN CSC[C@](C)(O)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000159434065 728906950 /nfs/dbraw/zinc/90/69/50/728906950.db2.gz ZSZJIWUTWQLKJU-LJQANCHMSA-N 0 0 365.543 2.836 20 10 FFCDRN C[C@@H](Cc1cccnc1)NC(=O)NCc1cc(Br)ccc1O ZINC000898320884 735341587 /nfs/dbraw/zinc/34/15/87/735341587.db2.gz OBDVGUVEQJEGOY-NSHDSACASA-N 0 0 364.243 2.980 20 10 FFCDRN Cn1nc(CNC(=O)NCc2cc(Cl)ccc2O)cc1C(F)(F)F ZINC000898531228 735376925 /nfs/dbraw/zinc/37/69/25/735376925.db2.gz IQQXSJMPXUXFOI-UHFFFAOYSA-N 0 0 362.739 2.797 20 10 FFCDRN CCOC(=O)[C@@H](F)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898558632 735382685 /nfs/dbraw/zinc/38/26/85/735382685.db2.gz ZTOTZZYXQRDYSI-PSLIRLAXSA-N 0 0 367.398 2.676 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000898983402 735430008 /nfs/dbraw/zinc/43/00/08/735430008.db2.gz TUNLMONINYGXQB-QNBRMCRTSA-N 0 0 360.523 2.938 20 10 FFCDRN Cn1cc(N2C(=O)/C(=C\c3ccc(N4CCCC4)nc3)SC2=S)cn1 ZINC000899260520 735467571 /nfs/dbraw/zinc/46/75/71/735467571.db2.gz JLTGDBNLFXNXLY-RIYZIHGNSA-N 0 0 371.491 2.821 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CNC(=O)c2cccc(Cl)c2)cc1 ZINC000018150627 727830029 /nfs/dbraw/zinc/83/00/29/727830029.db2.gz NTFHVVYYTXIFCN-UHFFFAOYSA-N 0 0 359.857 2.794 20 10 FFCDRN CC(C)CNC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000042948098 727965819 /nfs/dbraw/zinc/96/58/19/727965819.db2.gz XTUKHGXCOHTADG-UHFFFAOYSA-N 0 0 359.392 2.997 20 10 FFCDRN C[C@H](CCc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000055113121 728094929 /nfs/dbraw/zinc/09/49/29/728094929.db2.gz IRKGZEQCJJTBLY-CYBMUJFWSA-N 0 0 362.451 2.515 20 10 FFCDRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCCCSc1nccs1 ZINC000074136199 728232021 /nfs/dbraw/zinc/23/20/21/728232021.db2.gz PRTWSEMENCGBFK-FZMZJTMJSA-N 0 0 350.465 2.970 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CSCN2C(=O)C(C)(C)C)cc1 ZINC000076656569 728264729 /nfs/dbraw/zinc/26/47/29/728264729.db2.gz KAZSRBVVBDUKDD-MRXNPFEDSA-N 0 0 363.527 2.659 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2csc(-c3cnccn3)n2)cc1 ZINC000077313501 728273675 /nfs/dbraw/zinc/27/36/75/728273675.db2.gz UNUVCHXPOLYFED-UHFFFAOYSA-N 0 0 353.451 2.938 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCn2cc(Br)cn2)cc1F ZINC000746805045 735510481 /nfs/dbraw/zinc/51/04/81/735510481.db2.gz IZFXOHDGKYTKGR-UHFFFAOYSA-N 0 0 369.238 2.557 20 10 FFCDRN COc1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1O ZINC000080141219 728322608 /nfs/dbraw/zinc/32/26/08/728322608.db2.gz BVPRDXGRSRAEET-UHFFFAOYSA-N 0 0 358.463 2.884 20 10 FFCDRN C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000092228134 728465422 /nfs/dbraw/zinc/46/54/22/728465422.db2.gz PEEZDPTUVCGZQO-RISCZKNCSA-N 0 0 354.472 2.708 20 10 FFCDRN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092733962 728470417 /nfs/dbraw/zinc/47/04/17/728470417.db2.gz IJHOAAIDPQSQHT-NSHDSACASA-N 0 0 355.822 2.692 20 10 FFCDRN Cc1ccc(O)c(CN(C)CC(=O)Nc2ccc(Br)cn2)c1 ZINC000093004979 728473005 /nfs/dbraw/zinc/47/30/05/728473005.db2.gz RMXUHRAWQAIQIP-UHFFFAOYSA-N 0 0 364.243 2.929 20 10 FFCDRN C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000093077825 728473675 /nfs/dbraw/zinc/47/36/75/728473675.db2.gz YTQIBJHSHLYLQM-CQSZACIVSA-N 0 0 365.905 2.611 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1csc(-c2nc[nH]n2)n1 ZINC000105648923 728507793 /nfs/dbraw/zinc/50/77/93/728507793.db2.gz BXHRKSWRFVKJGI-UHFFFAOYSA-N 0 0 357.439 2.615 20 10 FFCDRN CCC[C@@H](C)CS(=O)(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000113283378 728553776 /nfs/dbraw/zinc/55/37/76/728553776.db2.gz ADSWITRWJHADQY-HZPDHXFCSA-N 0 0 354.516 2.940 20 10 FFCDRN O=C(CCC1CCCC1)NCC(=O)NCCCSc1nccs1 ZINC000114374856 728559962 /nfs/dbraw/zinc/55/99/62/728559962.db2.gz KBWVEVQLYLCTNB-UHFFFAOYSA-N 0 0 355.529 2.828 20 10 FFCDRN O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc(-c3cccnc3)cs2)cs1 ZINC000119968035 728603250 /nfs/dbraw/zinc/60/32/50/728603250.db2.gz BHKZCWRWGSKSHB-UHFFFAOYSA-N 0 0 368.421 2.976 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCc3csc(C)n3)CC2)cc1F ZINC000120695123 728614484 /nfs/dbraw/zinc/61/44/84/728614484.db2.gz HWLNCOKHYSTTPN-UHFFFAOYSA-N 0 0 364.446 2.631 20 10 FFCDRN COc1ccc(N(C)Cc2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000121817777 728639717 /nfs/dbraw/zinc/63/97/17/728639717.db2.gz ZFRKGWUFPYGXAF-UHFFFAOYSA-N 0 0 352.431 2.721 20 10 FFCDRN CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)c2ccc(OC)c(Cl)c2)C1 ZINC000121876791 728641055 /nfs/dbraw/zinc/64/10/55/728641055.db2.gz FCQCMKQQRRHXSJ-CYBMUJFWSA-N 0 0 368.861 2.587 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000122347442 728646648 /nfs/dbraw/zinc/64/66/48/728646648.db2.gz PYRJOWKCWMBSKZ-UHFFFAOYSA-N 0 0 363.757 2.551 20 10 FFCDRN CN(C)c1c(Cl)cccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000122376155 728646897 /nfs/dbraw/zinc/64/68/97/728646897.db2.gz FBYAQFJTWPVZRX-UHFFFAOYSA-N 0 0 361.829 2.709 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCC[C@@H](C)[S@@](C)=O)cc1F ZINC000122690618 728650640 /nfs/dbraw/zinc/65/06/40/728650640.db2.gz BPFHSJVKQZSIFP-OZAJXLCCSA-N 0 0 357.495 2.628 20 10 FFCDRN CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCSC1 ZINC000123084016 728654861 /nfs/dbraw/zinc/65/48/61/728654861.db2.gz DQRWKRQJHHNRDN-MRXNPFEDSA-N 0 0 351.541 2.887 20 10 FFCDRN Cc1cc(C)n([C@@H](C)C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000128288941 728708449 /nfs/dbraw/zinc/70/84/49/728708449.db2.gz BJEBEIDDFPGKHZ-INIZCTEOSA-N 0 0 358.511 2.931 20 10 FFCDRN O=[N+]([O-])c1ccccc1CS(=O)(=O)NCCCSc1nccs1 ZINC000131248440 728721860 /nfs/dbraw/zinc/72/18/60/728721860.db2.gz YMUHCQLVMOTBJS-UHFFFAOYSA-N 0 0 373.481 2.653 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCN(c2ccccn2)C1 ZINC000151582977 728746006 /nfs/dbraw/zinc/74/60/06/728746006.db2.gz DHFCKFDLVDHRKK-CYBMUJFWSA-N 0 0 363.512 2.598 20 10 FFCDRN CN(C)[C@H](CNC(=O)NCCCSc1nccs1)c1ccco1 ZINC000151652620 728746294 /nfs/dbraw/zinc/74/62/94/728746294.db2.gz FEFFNHCQFXIBNV-GFCCVEGCSA-N 0 0 354.501 2.820 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCn1cc([N+](=O)[O-])cn1 ZINC000164432919 728966446 /nfs/dbraw/zinc/96/64/46/728966446.db2.gz YLAIAHBGXGRUGJ-UHFFFAOYSA-N 0 0 359.411 2.690 20 10 FFCDRN COc1cc(C)cc(CN(C)c2ccccc2S(=O)(=O)N(C)C)c1O ZINC000164848786 728969265 /nfs/dbraw/zinc/96/92/65/728969265.db2.gz SIZWYMUOQKFHNO-UHFFFAOYSA-N 0 0 364.467 2.596 20 10 FFCDRN O=S(=O)(CC1CCOCC1)N(Cc1ccccc1O)C1CCCC1 ZINC000173194633 729041925 /nfs/dbraw/zinc/04/19/25/729041925.db2.gz MHOBRYXNXUASSS-UHFFFAOYSA-N 0 0 353.484 2.893 20 10 FFCDRN CCOc1cccnc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000176105610 729109315 /nfs/dbraw/zinc/10/93/15/729109315.db2.gz GPXZBUCIRUORRN-UHFFFAOYSA-N 0 0 357.479 2.964 20 10 FFCDRN CCNc1ncc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000177141507 729129103 /nfs/dbraw/zinc/12/91/03/729129103.db2.gz KFEUIOQHXGWLIX-UHFFFAOYSA-N 0 0 360.483 2.982 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H]2CC[C@H](C(F)(F)F)O2)c1 ZINC000924501778 738420771 /nfs/dbraw/zinc/42/07/71/738420771.db2.gz VVZYZLGOXCSCKR-NURSFMCSSA-N 0 0 362.348 2.871 20 10 FFCDRN COCc1ccsc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000180777927 729224038 /nfs/dbraw/zinc/22/40/38/729224038.db2.gz YGINUFRKASCUKL-UHFFFAOYSA-N 0 0 364.442 2.800 20 10 FFCDRN CC[NH+]1CCN(c2ccc(CNC(=O)c3csnc3C)cc2F)CC1 ZINC000181962165 729264923 /nfs/dbraw/zinc/26/49/23/729264923.db2.gz OXNOGNRQZKPUEE-UHFFFAOYSA-N 0 0 362.474 2.663 20 10 FFCDRN CCC1(CC)CN(Cc2ccc(N3CCOCC3)cc2)CC[S@@]1=O ZINC000187565113 729378493 /nfs/dbraw/zinc/37/84/93/729378493.db2.gz AOMGKRZBQHJJLZ-DEOSSOPVSA-N 0 0 350.528 2.646 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000187774390 729381130 /nfs/dbraw/zinc/38/11/30/729381130.db2.gz QYWUWHVVAZGSHD-QTYSSTRNSA-N 0 0 359.344 2.711 20 10 FFCDRN CC[C@@]1(C)CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000187871687 729382068 /nfs/dbraw/zinc/38/20/68/729382068.db2.gz HRMWHAMKJWSJPK-IBGZPJMESA-N 0 0 363.527 2.950 20 10 FFCDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000190349070 729407387 /nfs/dbraw/zinc/40/73/87/729407387.db2.gz YPRCNZJIZSGTSV-OAHLLOKOSA-N 0 0 361.408 2.988 20 10 FFCDRN COc1cc(S(=O)(=O)NCCCSc2nccs2)ccc1F ZINC000190654808 729409986 /nfs/dbraw/zinc/40/99/86/729409986.db2.gz SAKYSSJIYHAGHA-UHFFFAOYSA-N 0 0 362.473 2.752 20 10 FFCDRN Cc1ccc(CS(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC000192569696 729452629 /nfs/dbraw/zinc/45/26/29/729452629.db2.gz RKNQKTZAOHMNSG-UHFFFAOYSA-N 0 0 354.422 2.959 20 10 FFCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CNCc1csnn1 ZINC000193382984 729476810 /nfs/dbraw/zinc/47/68/10/729476810.db2.gz YKYVHHYGAJJORX-UHFFFAOYSA-N 0 0 358.389 2.683 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2c[nH]c3cccc(F)c32)cc1F ZINC000195194602 729531928 /nfs/dbraw/zinc/53/19/28/729531928.db2.gz ZQWAGBVIWQFPIM-UHFFFAOYSA-N 0 0 365.405 2.991 20 10 FFCDRN Cc1cc(Br)cc([C@@H](C)NCc2nnnn2C2CC2)c1O ZINC000779037634 738431264 /nfs/dbraw/zinc/43/12/64/738431264.db2.gz WCCDPTUIKLEXNO-SECBINFHSA-N 0 0 352.236 2.635 20 10 FFCDRN O=C1/C(=C\c2coc3ccccc23)SC(=S)N1CCN1CCOCC1 ZINC000255371508 729638196 /nfs/dbraw/zinc/63/81/96/729638196.db2.gz DOTHDHYDNCVEMD-LFIBNONCSA-N 0 0 374.487 2.966 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281953972 729705794 /nfs/dbraw/zinc/70/57/94/729705794.db2.gz IHIISAWAUJDDCA-KGLIPLIRSA-N 0 0 359.451 2.726 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)[C@@H]2CC(F)(F)CN2C1=O ZINC000924942091 738464501 /nfs/dbraw/zinc/46/45/01/738464501.db2.gz UVWCDPKYKMZTMW-WFASDCNBSA-N 0 0 351.397 2.664 20 10 FFCDRN NC(=O)CCSc1ccccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779484518 738467669 /nfs/dbraw/zinc/46/76/69/738467669.db2.gz SNAYQTXRBPSEIJ-VURMDHGXSA-N 0 0 358.419 2.717 20 10 FFCDRN CN(CC(=O)Nc1ccccc1Cl)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779488971 738467748 /nfs/dbraw/zinc/46/77/48/738467748.db2.gz KIEUWOUTEFWQLB-VQHVLOKHSA-N 0 0 360.797 2.862 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@@H](O)c1c(F)cccc1Cl ZINC000779528395 738468873 /nfs/dbraw/zinc/46/88/73/738468873.db2.gz HOGSDPOACXHVFS-ZQMJAJRESA-N 0 0 351.761 2.753 20 10 FFCDRN C[C@H](NC(=O)NCC[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000856826365 730360656 /nfs/dbraw/zinc/36/06/56/730360656.db2.gz JWZODDJUDFVSDV-DZGCQCFKSA-N 0 0 353.413 2.929 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCC[C@@H]3CC3(F)F)C2)cc1 ZINC000856865293 730362875 /nfs/dbraw/zinc/36/28/75/730362875.db2.gz QEXKAFMHSQUEME-UONOGXRCSA-N 0 0 353.413 2.866 20 10 FFCDRN O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])c[nH]1 ZINC000858290685 730421940 /nfs/dbraw/zinc/42/19/40/730421940.db2.gz YZDCDJHXXQGWRC-WBMJQRKESA-N 0 0 365.773 2.674 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NC[C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000858311764 730422372 /nfs/dbraw/zinc/42/23/72/730422372.db2.gz MLQOFPZHEXPAED-CYBMUJFWSA-N 0 0 351.447 2.661 20 10 FFCDRN O=S1(=O)CCN(c2ccc(CNc3nc(Cl)cs3)cc2)CC1 ZINC000858386786 730424502 /nfs/dbraw/zinc/42/45/02/730424502.db2.gz VHOMBYRFQPWKLC-UHFFFAOYSA-N 0 0 357.888 2.643 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000858508949 730427609 /nfs/dbraw/zinc/42/76/09/730427609.db2.gz SHTPWHJSRHLGAO-STQMWFEESA-N 0 0 351.447 2.802 20 10 FFCDRN Cn1cc(Cl)c(C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000858590277 730429339 /nfs/dbraw/zinc/42/93/39/730429339.db2.gz QZCXMMQGILMDRK-UHFFFAOYSA-N 0 0 350.875 2.557 20 10 FFCDRN O=C(NCC[C@@H]1CCCOC1)NCc1cc(Br)ccc1O ZINC000858667220 730431159 /nfs/dbraw/zinc/43/11/59/730431159.db2.gz SNQUCEZUODWMNN-NSHDSACASA-N 0 0 357.248 2.771 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000858910534 730436433 /nfs/dbraw/zinc/43/64/33/730436433.db2.gz VQKBMJOVWJSOAD-DGCLKSJQSA-N 0 0 355.232 2.521 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(CO)ccc1F ZINC000859188722 730444690 /nfs/dbraw/zinc/44/46/90/730444690.db2.gz AKFFRESZADGGJT-UHFFFAOYSA-N 0 0 367.804 2.852 20 10 FFCDRN COC(C)(C)CS(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000859363065 730452032 /nfs/dbraw/zinc/45/20/32/730452032.db2.gz RHZWFKVQVVCWTB-UHFFFAOYSA-N 0 0 350.484 2.939 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3C[C@]3(C)Br)CC2)cc1F ZINC000859966206 730470704 /nfs/dbraw/zinc/47/07/04/730470704.db2.gz QERFRDABWAXVLP-WBMJQRKESA-N 0 0 371.250 2.656 20 10 FFCDRN CSC[C@H](CCO)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000860166098 730482991 /nfs/dbraw/zinc/48/29/91/730482991.db2.gz WYOBKCATNWUQKW-KRWDZBQOSA-N 0 0 360.479 2.750 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](C)C[S@](C)=O)ccc1C ZINC000860761980 730544876 /nfs/dbraw/zinc/54/48/76/730544876.db2.gz 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ZINC000862759915 730724025 /nfs/dbraw/zinc/72/40/25/730724025.db2.gz MZMBGLHCPWNGEN-MRXNPFEDSA-N 0 0 356.447 2.532 20 10 FFCDRN Cc1cc(CNC(=O)C[C@@H]2C=CS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000863166579 730753531 /nfs/dbraw/zinc/75/35/31/730753531.db2.gz YNAYNBUNNZWNEW-INIZCTEOSA-N 0 0 358.463 2.659 20 10 FFCDRN CCCC1=NC(=S)N[C@H](c2cc(F)c(N(C)C)cc2F)C1C(=O)OC ZINC000863391321 730775550 /nfs/dbraw/zinc/77/55/50/730775550.db2.gz JLBSZQBDTPMSDL-OAHLLOKOSA-N 0 0 369.437 2.777 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c1O ZINC000863739256 730805554 /nfs/dbraw/zinc/80/55/54/730805554.db2.gz JOVGWXHJFXXDGS-JOYOIKCWSA-N 0 0 358.232 2.706 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(CC(F)F)C1 ZINC000864863827 730886425 /nfs/dbraw/zinc/88/64/25/730886425.db2.gz XDQLAVIZGUMXJD-MRXNPFEDSA-N 0 0 351.441 2.880 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000866431491 731059780 /nfs/dbraw/zinc/05/97/80/731059780.db2.gz UKSOGUACQWIPMV-VIFPVBQESA-N 0 0 368.231 2.526 20 10 FFCDRN C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000866573883 731075785 /nfs/dbraw/zinc/07/57/85/731075785.db2.gz ZVOCEMWQUOEHDB-QMMMGPOBSA-N 0 0 355.287 2.664 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)c1 ZINC000866841668 731107424 /nfs/dbraw/zinc/10/74/24/731107424.db2.gz KDWWASGAVLOCOZ-NOZJJQNGSA-N 0 0 368.282 2.965 20 10 FFCDRN O=S(=O)(C[C@@H]1CCC1(F)F)NCc1cc(Br)ccc1O ZINC000867265188 731162975 /nfs/dbraw/zinc/16/29/75/731162975.db2.gz DSHUEIZJHKGTGU-VIFPVBQESA-N 0 0 370.215 2.619 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2ccc(O)cc2O)ccc1OC(C)C ZINC000867417525 731182038 /nfs/dbraw/zinc/18/20/38/731182038.db2.gz YJUFEMSNBJOHHC-UHFFFAOYSA-N 0 0 351.424 2.672 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)C3(C(C)C)CC3)C2)cc1 ZINC000867429298 731183309 /nfs/dbraw/zinc/18/33/09/731183309.db2.gz WXJVMVQWUPXPBT-OAHLLOKOSA-N 0 0 352.500 2.630 20 10 FFCDRN COc1cc(F)c(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1OC ZINC000867834535 731232061 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O=C(c1cccs1)N1CCCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871197946 731605319 /nfs/dbraw/zinc/60/53/19/731605319.db2.gz AUUVNCQSQNPNCJ-HNNXBMFYSA-N 0 0 356.447 2.991 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCc1ccc(F)cc1 ZINC000656625070 731612171 /nfs/dbraw/zinc/61/21/71/731612171.db2.gz VNSFTNFZSFXJQH-UHFFFAOYSA-N 0 0 364.442 2.663 20 10 FFCDRN CCN1C(=O)/C(=C\c2cn(Cc3ccc(OC)cc3)nn2)SC1=S ZINC000871652627 731661076 /nfs/dbraw/zinc/66/10/76/731661076.db2.gz BNPIKYCLYOGTIQ-RIYZIHGNSA-N 0 0 360.464 2.556 20 10 FFCDRN Cc1cc(C(=O)CN2C(=O)O[C@@H](C)C2=O)c(C)n1-c1ccc(Cl)cn1 ZINC000871779011 731680334 /nfs/dbraw/zinc/68/03/34/731680334.db2.gz AWYKWGURSLTKGR-NSHDSACASA-N 0 0 361.785 2.693 20 10 FFCDRN O=c1[nH]nc(Cl)cc1NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000872415436 731763656 /nfs/dbraw/zinc/76/36/56/731763656.db2.gz HIMJITGCDYZGLA-UHFFFAOYSA-N 0 0 352.797 2.548 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C1\SCC(=O)N1C ZINC000873861318 731974049 /nfs/dbraw/zinc/97/40/49/731974049.db2.gz CIAJWWDPJOFTOX-UNOMPAQXSA-N 0 0 359.495 2.682 20 10 FFCDRN CSCCc1ccc(NC(=O)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000874103072 732010476 /nfs/dbraw/zinc/01/04/76/732010476.db2.gz ZIYAWBYCGWGYKZ-UHFFFAOYSA-N 0 0 356.447 2.779 20 10 FFCDRN CC1(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC(F)(F)C1 ZINC000875749833 732186305 /nfs/dbraw/zinc/18/63/05/732186305.db2.gz UDJZBEGDTZEGBB-UHFFFAOYSA-N 0 0 353.413 2.635 20 10 FFCDRN O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC000876753077 732276841 /nfs/dbraw/zinc/27/68/41/732276841.db2.gz IDJUTOYTICGQCL-LLVKDONJSA-N 0 0 350.325 2.660 20 10 FFCDRN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@H](O)c1c(F)cccc1F ZINC000780983504 738592276 /nfs/dbraw/zinc/59/22/76/738592276.db2.gz HMIUDUBWGYNSKQ-GUYCJALGSA-N 0 0 351.349 2.926 20 10 FFCDRN COc1cccc(CNC(=O)NCC[C@@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000926312971 738598673 /nfs/dbraw/zinc/59/86/73/738598673.db2.gz LXFHAQFYDJEHFN-AAEUAGOBSA-N 0 0 362.348 2.700 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1OC ZINC000877342452 732346895 /nfs/dbraw/zinc/34/68/95/732346895.db2.gz NEDOEVFMLPTVIA-UHFFFAOYSA-N 0 0 370.858 2.641 20 10 FFCDRN CCOc1ccc(NCc2ccc(C)cc2O)cc1S(=O)(=O)N(C)C ZINC000877513681 732377529 /nfs/dbraw/zinc/37/75/29/732377529.db2.gz CAJUCXMKTGAOCZ-UHFFFAOYSA-N 0 0 364.467 2.962 20 10 FFCDRN O=C(N1C[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@H]2C1)C(F)(F)F ZINC000877567574 732389604 /nfs/dbraw/zinc/38/96/04/732389604.db2.gz YKIRYVIMDUYGJK-ONGXEEELSA-N 0 0 364.314 2.513 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCC(=O)Nc2ccccn2)c1 ZINC000781627664 738642599 /nfs/dbraw/zinc/64/25/99/738642599.db2.gz DKIWGCALHHJBNY-UHFFFAOYSA-N 0 0 364.243 2.977 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@H](N(C)C)C(F)(F)F)c1 ZINC000926812465 738656746 /nfs/dbraw/zinc/65/67/46/738656746.db2.gz JOWDRWRZKHTUPQ-YGRLFVJLSA-N 0 0 363.380 2.644 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1nn(C)cc1Cl ZINC000881186351 733024090 /nfs/dbraw/zinc/02/40/90/733024090.db2.gz OMNDNJBEFMHFMR-UHFFFAOYSA-N 0 0 363.849 2.574 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H]2CN2CCOCC2)c1 ZINC000781902603 738669616 /nfs/dbraw/zinc/66/96/16/738669616.db2.gz RBWGKXDRHYAEEV-HNNXBMFYSA-N 0 0 369.303 2.760 20 10 FFCDRN O=S(=O)(NC1CCCC1)[C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000781920044 738672648 /nfs/dbraw/zinc/67/26/48/738672648.db2.gz ICFGMQNIAKKWAL-AWEZNQCLSA-N 0 0 372.918 2.872 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC000881769775 733104149 /nfs/dbraw/zinc/10/41/49/733104149.db2.gz TXNAHOMTZQZEBP-IPMKNSEASA-N 0 0 364.511 2.758 20 10 FFCDRN O=S(=O)(CCn1ccnc1)N(Cc1ccccc1O)C1CCCCC1 ZINC000881912969 733134867 /nfs/dbraw/zinc/13/48/67/733134867.db2.gz PFZSQDLXFWKCLW-UHFFFAOYSA-N 0 0 363.483 2.753 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@@](OC)(C(F)(F)F)C2)cc1OC ZINC000882844817 733302659 /nfs/dbraw/zinc/30/26/59/733302659.db2.gz AVOYOOUQVHQLQP-ZDUSSCGKSA-N 0 0 350.293 2.770 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]Cc1nnc2n1CCC2 ZINC000882885712 733307840 /nfs/dbraw/zinc/30/78/40/733307840.db2.gz KWNOOTLJNCKKCS-UHFFFAOYSA-N 0 0 357.639 2.636 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])c1nnnn1C1CC1 ZINC000883102198 733333739 /nfs/dbraw/zinc/33/37/39/733333739.db2.gz JHBXGNUTMJJENR-ZETCQYMHSA-N 0 0 372.654 2.980 20 10 FFCDRN COc1cc(Br)cc(CNc2n[nH]c3c2COCC3)c1O ZINC000886207481 733759542 /nfs/dbraw/zinc/75/95/42/733759542.db2.gz DMQQBWQSUCRSQE-UHFFFAOYSA-N 0 0 354.204 2.571 20 10 FFCDRN C[C@H](N[C@@H](CCO)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000886796745 733838035 /nfs/dbraw/zinc/83/80/35/733838035.db2.gz IVFJSTQYBSPALI-NHYWBVRUSA-N 0 0 350.356 2.626 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2ccnc(C)c2Br)c1 ZINC000782862867 738760070 /nfs/dbraw/zinc/76/00/70/738760070.db2.gz MPRHHHMQXDPKEF-UHFFFAOYSA-N 0 0 366.215 2.610 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@H]1C[C@@H]1CCOC1 ZINC000887818237 733979796 /nfs/dbraw/zinc/97/97/96/733979796.db2.gz BCPSSHQPGFSSHJ-WCQYABFASA-N 0 0 363.435 2.580 20 10 FFCDRN C[C@@H](Oc1ccc(F)c(F)c1)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783262589 738796630 /nfs/dbraw/zinc/79/66/30/738796630.db2.gz MPXPYEFZTFGIMJ-SECBINFHSA-N 0 0 352.289 2.569 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)C1CCN(CC(F)(F)F)CC1 ZINC000890758284 734336917 /nfs/dbraw/zinc/33/69/17/734336917.db2.gz UVDIKJIRDVWNEZ-UHFFFAOYSA-N 0 0 350.768 2.936 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Cn1cc(Br)cn1 ZINC000727168002 734469331 /nfs/dbraw/zinc/46/93/31/734469331.db2.gz GMWQLDKNUYGWBF-UHFFFAOYSA-N 0 0 352.232 2.790 20 10 FFCDRN CC(C)NC(=O)CNC(=S)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000727272349 734475285 /nfs/dbraw/zinc/47/52/85/734475285.db2.gz OCDIMYSCLKTWKH-UHFFFAOYSA-N 0 0 362.543 2.508 20 10 FFCDRN C[C@H]1CSCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000892115996 734516952 /nfs/dbraw/zinc/51/69/52/734516952.db2.gz XJLNBZXLSJWFAN-AWEZNQCLSA-N 0 0 367.490 2.699 20 10 FFCDRN CCO[C@H](C)c1noc(CN(C)Cc2ccc(OC)c(OC)c2O)n1 ZINC000892128031 734518101 /nfs/dbraw/zinc/51/81/01/734518101.db2.gz CLMFXNDYJOSKOI-LLVKDONJSA-N 0 0 351.403 2.522 20 10 FFCDRN COc1ccc(CNc2ccc(CS(C)(=O)=O)cc2)c(O)c1OC ZINC000892282596 734537327 /nfs/dbraw/zinc/53/73/27/734537327.db2.gz VSEZSIFKSGGTDW-UHFFFAOYSA-N 0 0 351.424 2.566 20 10 FFCDRN COc1ccc(CNc2cccc(CS(C)(=O)=O)c2C)c(O)c1OC ZINC000892284259 734537358 /nfs/dbraw/zinc/53/73/58/734537358.db2.gz KGGUOKVYLMGEKH-UHFFFAOYSA-N 0 0 365.451 2.875 20 10 FFCDRN CC[C@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)C ZINC000729327179 734571300 /nfs/dbraw/zinc/57/13/00/734571300.db2.gz YZCCIWWWEQAUKD-QGZVFWFLSA-N 0 0 366.527 2.610 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCNC(=O)[C@@H]2CC(C)C)c1 ZINC000783728291 738830014 /nfs/dbraw/zinc/83/00/14/738830014.db2.gz KOHWRUKJSBHTMH-AWEZNQCLSA-N 0 0 355.276 2.810 20 10 FFCDRN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000730078930 734613596 /nfs/dbraw/zinc/61/35/96/734613596.db2.gz SVYHPSTWQLGFCS-HUBLWGQQSA-N 0 0 366.483 2.526 20 10 FFCDRN CSCc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000731839385 734700104 /nfs/dbraw/zinc/70/01/04/734700104.db2.gz WOTZUEQVLVJCEV-UHFFFAOYSA-N 0 0 366.464 2.879 20 10 FFCDRN COCCCn1c(C)cc(C(=O)COC(=O)C2=CC(=O)CS2)c1C ZINC000731912704 734705355 /nfs/dbraw/zinc/70/53/55/734705355.db2.gz YCMFELZGUKANQD-UHFFFAOYSA-N 0 0 351.424 2.948 20 10 FFCDRN COC(=O)c1cnc(CN(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000893880124 734766593 /nfs/dbraw/zinc/76/65/93/734766593.db2.gz LYOYKNNEDMDEPG-AWEZNQCLSA-N 0 0 362.451 2.817 20 10 FFCDRN COc1ccc(OC(F)F)c(/C=C2/SC(N3CCOCC3)=NC2=O)c1 ZINC000732926821 734777019 /nfs/dbraw/zinc/77/70/19/734777019.db2.gz VLPBGMMGCZHFDB-UKTHLTGXSA-N 0 0 370.377 2.599 20 10 FFCDRN O=C(CNC(=O)OCc1ccccc1)NCCCSc1nccs1 ZINC000733883899 734856381 /nfs/dbraw/zinc/85/63/81/734856381.db2.gz HFYVKODWDRJHAP-UHFFFAOYSA-N 0 0 365.480 2.668 20 10 FFCDRN Cc1nn(C)c2nc(C)c(C(=O)NCCCSc3nccs3)cc12 ZINC000733975174 734865394 /nfs/dbraw/zinc/86/53/94/734865394.db2.gz YJOFHCZGFQECTG-UHFFFAOYSA-N 0 0 361.496 2.954 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1C ZINC000734502282 734900176 /nfs/dbraw/zinc/90/01/76/734900176.db2.gz MQLNUYSTIVLXFJ-UHFFFAOYSA-N 0 0 363.439 2.756 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000734502314 734900182 /nfs/dbraw/zinc/90/01/82/734900182.db2.gz NWUIQWNLYINHJI-CQSZACIVSA-N 0 0 360.479 2.863 20 10 FFCDRN CCN(CC(=O)N[C@H](C)c1cc(OC)ccc1O)C(=O)OC(C)(C)C ZINC000734549050 734902476 /nfs/dbraw/zinc/90/24/76/734902476.db2.gz RBQNJGKLBOQNLL-GFCCVEGCSA-N 0 0 352.431 2.835 20 10 FFCDRN COC(=O)[C@H](CC1CCOCC1)NCc1ccc(Br)cc1O ZINC000895590580 735028153 /nfs/dbraw/zinc/02/81/53/735028153.db2.gz HHQHAEUUCWKFTO-AWEZNQCLSA-N 0 0 372.259 2.603 20 10 FFCDRN CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Br)ccc1O ZINC000895864527 735066537 /nfs/dbraw/zinc/06/65/37/735066537.db2.gz PBVINXWJVLCVRY-KGLIPLIRSA-N 0 0 372.259 2.745 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCO[C@@H](C(F)(F)F)C3)ccc21 ZINC000740474706 735076057 /nfs/dbraw/zinc/07/60/57/735076057.db2.gz NCIHSNJHDSGDAC-OAHLLOKOSA-N 0 0 357.376 2.542 20 10 FFCDRN CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000740900220 735097442 /nfs/dbraw/zinc/09/74/42/735097442.db2.gz MVYUSPMGVIFPQA-NWDGAFQWSA-N 0 0 362.289 2.600 20 10 FFCDRN CS(=O)(=O)Nc1ccc(NC(=O)NCc2ccccc2O)cc1Cl ZINC000741070424 735115566 /nfs/dbraw/zinc/11/55/66/735115566.db2.gz FFWIIYDKBICPKJ-UHFFFAOYSA-N 0 0 369.830 2.739 20 10 FFCDRN Cn1cc(C(=O)NCCCSc2nccs2)c(Br)n1 ZINC000896332975 735140431 /nfs/dbraw/zinc/14/04/31/735140431.db2.gz CXURMDLVJCOAMN-UHFFFAOYSA-N 0 0 361.290 2.551 20 10 FFCDRN C[C@H](C(=O)NCCCSc1nccs1)n1nnc(-c2ccccc2)n1 ZINC000742670678 735248463 /nfs/dbraw/zinc/24/84/63/735248463.db2.gz VISJHIMWHJWYHB-GFCCVEGCSA-N 0 0 374.495 2.656 20 10 FFCDRN COC[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742711582 735250289 /nfs/dbraw/zinc/25/02/89/735250289.db2.gz ILIAOJOLQJRULT-OLZOCXBDSA-N 0 0 357.401 2.591 20 10 FFCDRN O=C1[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CCN1C1CCOCC1 ZINC000747623512 735575133 /nfs/dbraw/zinc/57/51/33/735575133.db2.gz DTCQDMGFUMPXRY-CQSZACIVSA-N 0 0 359.253 2.569 20 10 FFCDRN O=C(NCc1ccccc1O)c1cccc(CN2C(=O)CSC2=O)c1 ZINC000748347221 735636603 /nfs/dbraw/zinc/63/66/03/735636603.db2.gz ZVQAJMSKVXLAHG-UHFFFAOYSA-N 0 0 356.403 2.518 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@H](O)C(F)(F)F)c2C)cc1 ZINC000749251506 735708231 /nfs/dbraw/zinc/70/82/31/735708231.db2.gz CDCSMTLQBLAQDG-HNNXBMFYSA-N 0 0 356.344 2.756 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C2(S(C)(=O)=O)CCCC2)cc1 ZINC000749793860 735748337 /nfs/dbraw/zinc/74/83/37/735748337.db2.gz LDAZNMVRTOYYRF-UHFFFAOYSA-N 0 0 352.500 2.506 20 10 FFCDRN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)N(C)Cc1ccccc1O ZINC000750438788 735792180 /nfs/dbraw/zinc/79/21/80/735792180.db2.gz GYKVMOCYRJAOSF-CYBMUJFWSA-N 0 0 351.447 2.694 20 10 FFCDRN Cc1cnn(-c2ccc(S(=O)(=O)NCc3ccccc3O)cc2F)c1 ZINC000751149259 735849065 /nfs/dbraw/zinc/84/90/65/735849065.db2.gz PCOKOMSXMISVPF-UHFFFAOYSA-N 0 0 361.398 2.504 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2cc(C(C)=O)ccc2Cl)c1 ZINC000751415416 735871827 /nfs/dbraw/zinc/87/18/27/735871827.db2.gz OGXQVZVXEVWGKB-UHFFFAOYSA-N 0 0 369.826 2.735 20 10 FFCDRN Cc1ccc(C(=O)NCCOc2cccc(Br)c2)c(O)c1O ZINC000751535067 735891657 /nfs/dbraw/zinc/89/16/57/735891657.db2.gz MBFMXBNJQLFYGB-UHFFFAOYSA-N 0 0 366.211 2.978 20 10 FFCDRN C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Br)cc(F)c1[O-] ZINC000903215932 736056650 /nfs/dbraw/zinc/05/66/50/736056650.db2.gz QYKFTEHYSXIKHM-UWVGGRQHSA-N 0 0 359.239 2.813 20 10 FFCDRN CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000903232570 736062798 /nfs/dbraw/zinc/06/27/98/736062798.db2.gz AZEYATYBFCTMPF-GFCCVEGCSA-N 0 0 352.431 2.680 20 10 FFCDRN CC(=O)NC1CCC([N@H+](C)Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000753591454 736080131 /nfs/dbraw/zinc/08/01/31/736080131.db2.gz SWXJDFAVYBUNNQ-UHFFFAOYSA-N 0 0 355.822 2.833 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(F)cc(F)c1[O-] ZINC000903433768 736093639 /nfs/dbraw/zinc/09/36/39/736093639.db2.gz FBERZJAYGCZPIB-PSASIEDQSA-N 0 0 370.787 2.749 20 10 FFCDRN CC[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(F)cc1[O-] ZINC000903435545 736094556 /nfs/dbraw/zinc/09/45/56/736094556.db2.gz RWQSSDRDPDRQTJ-WCQYABFASA-N 0 0 366.824 3.000 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)CC3CCCCC3)CC2)cc1F ZINC000754039740 736118811 /nfs/dbraw/zinc/11/88/11/736118811.db2.gz FNKRWDUCUNWHKJ-UHFFFAOYSA-N 0 0 370.490 2.866 20 10 FFCDRN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2cc(Cl)ccc2O)cn1 ZINC000754153870 736131286 /nfs/dbraw/zinc/13/12/86/736131286.db2.gz JWIWUPYFVMGHGB-WNSKOXEYSA-N 0 0 353.875 2.568 20 10 FFCDRN [NH3+][C@H]1CN(Cc2cccc(Br)c2[O-])CC[C@@H]1C(F)(F)F ZINC000903982658 736199639 /nfs/dbraw/zinc/19/96/39/736199639.db2.gz TXCJPBVTTFCEFR-ONGXEEELSA-N 0 0 353.182 2.866 20 10 FFCDRN CN1C(=O)C[C@H](NC(=O)C2=CC(=O)CS2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755295700 736247665 /nfs/dbraw/zinc/24/76/65/736247665.db2.gz FAJZAKPYLXTMRX-SWLSCSKDSA-N 0 0 368.817 2.948 20 10 FFCDRN COc1cc(Br)cc(C[NH2+][C@@H]2Cc3ccccc3[C@H]2N)c1O ZINC000904462655 736253791 /nfs/dbraw/zinc/25/37/91/736253791.db2.gz YGDZAIGSLXUGEN-GDBMZVCRSA-N 0 0 363.255 2.878 20 10 FFCDRN C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756367413 736325511 /nfs/dbraw/zinc/32/55/11/736325511.db2.gz LHXMKPRNLJHDDS-MGPQQGTHSA-N 0 0 351.447 2.839 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1COCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000756434443 736330597 /nfs/dbraw/zinc/33/05/97/736330597.db2.gz NNSHRCCTMWFCKS-WPRPVWTQSA-N 0 0 350.640 2.874 20 10 FFCDRN COc1ccc(CNC(=O)C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756478004 736334936 /nfs/dbraw/zinc/33/49/36/736334936.db2.gz BPOYWEWKSHHROQ-LLVKDONJSA-N 0 0 350.365 2.646 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@]1(C)CCCS1(=O)=O ZINC000905460767 736343625 /nfs/dbraw/zinc/34/36/25/736343625.db2.gz PMIYEDQQCRIYMO-IBGZPJMESA-N 0 0 364.511 2.603 20 10 FFCDRN COC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756578934 736344707 /nfs/dbraw/zinc/34/47/07/736344707.db2.gz YORYVNGCTKQBNN-SDBXPKJASA-N 0 0 352.656 2.856 20 10 FFCDRN COC[C@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756595005 736345907 /nfs/dbraw/zinc/34/59/07/736345907.db2.gz SSNZBKQITJYIGZ-SCZZXKLOSA-N 0 0 352.656 2.856 20 10 FFCDRN CCS(=O)(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756706837 736353861 /nfs/dbraw/zinc/35/38/61/736353861.db2.gz QWMRHYNNFSFONC-RKDXNWHRSA-N 0 0 368.268 2.768 20 10 FFCDRN C[C@@H]([NH2+]Cc1nnnn1C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756733028 736356309 /nfs/dbraw/zinc/35/63/09/736356309.db2.gz OOWTZZGOECZMAP-SSDOTTSWSA-N 0 0 372.654 2.980 20 10 FFCDRN C[C@H]([NH2+]CCCOCCO)c1cc(Br)cc(Cl)c1[O-] ZINC000757636219 736414643 /nfs/dbraw/zinc/41/46/43/736414643.db2.gz CJXIWYKOXZQVSD-VIFPVBQESA-N 0 0 352.656 2.858 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](CO)CC(F)(F)F)cc1F ZINC000757649912 736415914 /nfs/dbraw/zinc/41/59/14/736415914.db2.gz YCVNFXSVTUOKBH-LBPRGKRZSA-N 0 0 365.371 2.784 20 10 FFCDRN COc1ncccc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000906853672 736551667 /nfs/dbraw/zinc/55/16/67/736551667.db2.gz HVKIIZNNULHNLP-UHFFFAOYSA-N 0 0 361.467 2.510 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000906995043 736569935 /nfs/dbraw/zinc/56/99/35/736569935.db2.gz ZGWYCWRNOPTNIW-TUKIKUTGSA-N 0 0 352.228 2.728 20 10 FFCDRN COc1cccc([C@H](O)CNC(=O)NCCCSc2nccs2)c1 ZINC000759601530 736580141 /nfs/dbraw/zinc/58/01/41/736580141.db2.gz NIOZXFJEEBYOJW-CQSZACIVSA-N 0 0 367.496 2.667 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCNC(=O)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000760856924 736674930 /nfs/dbraw/zinc/67/49/30/736674930.db2.gz UEHBHAWFOYLQGH-ZDUSSCGKSA-N 0 0 370.352 2.786 20 10 FFCDRN C[C@@H]1CC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[C@@H](C)O1 ZINC000761350228 736725876 /nfs/dbraw/zinc/72/58/76/736725876.db2.gz KFBZJGWGCIQJSA-GHMZBOCLSA-N 0 0 352.818 2.766 20 10 FFCDRN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1CCC(=O)CC1 ZINC000761982928 736779307 /nfs/dbraw/zinc/77/93/07/736779307.db2.gz OEROTGASLGQIHU-MRXNPFEDSA-N 0 0 364.873 2.886 20 10 FFCDRN CCC(O)(CC)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762183102 736801167 /nfs/dbraw/zinc/80/11/67/736801167.db2.gz MDGSPZGJNWKTBL-UHFFFAOYSA-N 0 0 354.834 2.751 20 10 FFCDRN CC1(C)CC[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)O1 ZINC000762370901 736817805 /nfs/dbraw/zinc/81/78/05/736817805.db2.gz CQUDQANBFKQWAX-ZDUSSCGKSA-N 0 0 352.818 2.767 20 10 FFCDRN COC(=O)C[C@H]1CSCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000762633152 736848491 /nfs/dbraw/zinc/84/84/91/736848491.db2.gz JGJSMEZJCCFVCM-ZDUSSCGKSA-N 0 0 357.859 2.729 20 10 FFCDRN C/C=C\C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)OCC ZINC000763360916 736930859 /nfs/dbraw/zinc/93/08/59/736930859.db2.gz HMVJRPFFSIRHDH-IVZVJUQRSA-N 0 0 350.434 2.650 20 10 FFCDRN C[C@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(Br)c1O ZINC000764797700 737050694 /nfs/dbraw/zinc/05/06/94/737050694.db2.gz MDKHFJAMXHLGQT-GHMZBOCLSA-N 0 0 357.248 2.769 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)C[C@H](C)O1 ZINC000764800700 737051096 /nfs/dbraw/zinc/05/10/96/737051096.db2.gz QTRMCURSSXVPRR-PEGIJTEDSA-N 0 0 357.248 2.910 20 10 FFCDRN O=S(=O)(c1cccc2nonc21)N1CCCc2c(F)cc(F)cc21 ZINC000765048363 737076153 /nfs/dbraw/zinc/07/61/53/737076153.db2.gz HYAXFLNGKRZMDZ-UHFFFAOYSA-N 0 0 351.334 2.643 20 10 FFCDRN COc1ccc(NC(=O)NCc2cccc(Br)c2O)cn1 ZINC000765233134 737099595 /nfs/dbraw/zinc/09/95/95/737099595.db2.gz FHTASQKMNMXMQM-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN O=C(Cc1n[nH]c2ccccc21)NCc1cccc(Br)c1O ZINC000765726015 737149707 /nfs/dbraw/zinc/14/97/07/737149707.db2.gz CBNVBGLQKZECMX-UHFFFAOYSA-N 0 0 360.211 2.890 20 10 FFCDRN O=C(CCn1cc(Cl)cn1)NCc1cccc(Br)c1O ZINC000765737677 737151272 /nfs/dbraw/zinc/15/12/72/737151272.db2.gz VKAMYCZSGBNARU-UHFFFAOYSA-N 0 0 358.623 2.711 20 10 FFCDRN Nc1cc(C(=O)NCc2cccc(Br)c2O)cc(Cl)n1 ZINC000765737768 737151325 /nfs/dbraw/zinc/15/13/25/737151325.db2.gz ZLCAELPJEUXZBX-UHFFFAOYSA-N 0 0 356.607 2.715 20 10 FFCDRN Cc1cc(C)n(CCC(=O)NCc2cccc(Br)c2O)n1 ZINC000765753658 737154324 /nfs/dbraw/zinc/15/43/24/737154324.db2.gz 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/nfs/dbraw/zinc/93/33/71/740933371.db2.gz HUDFCDDYRCERMK-VIFPVBQESA-N 0 0 367.247 2.757 20 10 FFCDRN Cc1ncsc1CNC(=O)NCc1cc(Br)ccc1O ZINC000805072335 740934866 /nfs/dbraw/zinc/93/48/66/740934866.db2.gz IPFKMGHSSJOCOQ-UHFFFAOYSA-N 0 0 356.245 2.919 20 10 FFCDRN CO[C@H]1CCC[C@@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000805256864 740954602 /nfs/dbraw/zinc/95/46/02/740954602.db2.gz IGUJRZUJYBFMRP-YGRLFVJLSA-N 0 0 357.248 2.769 20 10 FFCDRN C[C@@H]1C[C@@H](C)[C@H](C)N(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806275323 741049077 /nfs/dbraw/zinc/04/90/77/741049077.db2.gz BYQVZBHLNYOAGK-UPJWGTAASA-N 0 0 355.529 2.635 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)NC1CCC2(CC2)CC1 ZINC000806276884 741049496 /nfs/dbraw/zinc/04/94/96/741049496.db2.gz MYCLKHVFQINTJI-UHFFFAOYSA-N 0 0 353.513 2.581 20 10 FFCDRN Cc1cc(NC(=O)NCc2cc(Br)ccc2O)c(C)cn1 ZINC000806381199 741055863 /nfs/dbraw/zinc/05/58/63/741055863.db2.gz UCHXZYFLDSSJPI-UHFFFAOYSA-N 0 0 350.216 2.910 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCCC1(F)F ZINC000806457385 741061595 /nfs/dbraw/zinc/06/15/95/741061595.db2.gz LFUFJNHSUKMZEA-OAHLLOKOSA-N 0 0 357.376 2.649 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1csc(-c2ccccc2)n1 ZINC000806880741 741092495 /nfs/dbraw/zinc/09/24/95/741092495.db2.gz XXWBSYOBHLPIOI-UHFFFAOYSA-N 0 0 353.403 2.771 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N1CCSC(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC000807677178 741148061 /nfs/dbraw/zinc/14/80/61/741148061.db2.gz MFCRHGLCEQFCQQ-CQSZACIVSA-N 0 0 363.527 2.674 20 10 FFCDRN CC(=O)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C ZINC000808013814 741177812 /nfs/dbraw/zinc/17/78/12/741177812.db2.gz QOUPEGNIXHBIKA-UHFFFAOYSA-N 0 0 358.444 2.912 20 10 FFCDRN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000808445537 741226388 /nfs/dbraw/zinc/22/63/88/741226388.db2.gz WOYDYFZYILPCOW-TUKIKUTGSA-N 0 0 367.833 2.690 20 10 FFCDRN CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccc(Br)c3[O-])[C@@H]2C1 ZINC000808448052 741226876 /nfs/dbraw/zinc/22/68/76/741226876.db2.gz WIOZSVRCZMVKQV-SQWLQELKSA-N 0 0 367.287 2.891 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000808484153 741229297 /nfs/dbraw/zinc/22/92/97/741229297.db2.gz KYWPTMHENVZUJZ-CYBMUJFWSA-N 0 0 361.467 2.773 20 10 FFCDRN O=S(=O)(NC1=NCCC1)c1cccc(NCc2cc(F)ccc2O)c1 ZINC000809679788 741330687 /nfs/dbraw/zinc/33/06/87/741330687.db2.gz KOVWNEUFOMDERS-UHFFFAOYSA-N 0 0 363.414 2.614 20 10 FFCDRN CCN(CC)c1ccc(CN2CCC[C@H](S(=O)(=O)N(C)C)C2)cc1F ZINC000809688200 741331834 /nfs/dbraw/zinc/33/18/34/741331834.db2.gz DVUXUGQMQLBCIN-INIZCTEOSA-N 0 0 371.522 2.528 20 10 FFCDRN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000809708817 741334706 /nfs/dbraw/zinc/33/47/06/741334706.db2.gz HZXRSNLOOILSME-CABCVRRESA-N 0 0 368.861 2.915 20 10 FFCDRN CNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809779411 741342859 /nfs/dbraw/zinc/34/28/59/741342859.db2.gz LZMOKFNORGWWGX-LBPRGKRZSA-N 0 0 357.794 2.664 20 10 FFCDRN CNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000809779375 741342873 /nfs/dbraw/zinc/34/28/73/741342873.db2.gz LBBBFOYKIKFGCV-GFCCVEGCSA-N 0 0 357.248 2.865 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1snnc1C1CC1 ZINC000810161638 741393984 /nfs/dbraw/zinc/39/39/84/741393984.db2.gz PZHDTTBGGMFKRO-UHFFFAOYSA-N 0 0 360.508 2.899 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1cccc2c1OCC(=O)N2 ZINC000810254309 741401966 /nfs/dbraw/zinc/40/19/66/741401966.db2.gz ALUCGAGBZIASBV-UHFFFAOYSA-N 0 0 364.452 2.778 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H](O)c3ccc(Cl)cc3)CC2)cc1 ZINC000813366899 741706019 /nfs/dbraw/zinc/70/60/19/741706019.db2.gz PNTVPGDUVFWACR-SFHVURJKSA-N 0 0 360.841 2.731 20 10 FFCDRN COC(=O)c1ccc(Cl)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000813514213 741728988 /nfs/dbraw/zinc/72/89/88/741728988.db2.gz YWSCCHUMFVMBTP-JTQLQIEISA-N 0 0 363.797 2.899 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCCC[C@@H]1OC ZINC000815952648 741977498 /nfs/dbraw/zinc/97/74/98/741977498.db2.gz QZJIPIWMANBFGI-ZBFHGGJFSA-N 0 0 369.845 2.752 20 10 FFCDRN CNC(=O)COc1cccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000816537145 742040122 /nfs/dbraw/zinc/04/01/22/742040122.db2.gz VLQPCJYNHGCHES-UHFFFAOYSA-N 0 0 352.793 2.599 20 10 FFCDRN C[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1O ZINC000816796058 742062166 /nfs/dbraw/zinc/06/21/66/742062166.db2.gz VGPRFFABMVECKZ-GFCCVEGCSA-N 0 0 352.431 2.911 20 10 FFCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ncc(Br)cn1 ZINC000817273732 742115596 /nfs/dbraw/zinc/11/55/96/742115596.db2.gz XXQNJPXUXMLFIY-AZVKUDOFSA-N 0 0 364.199 2.541 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000817556756 742167872 /nfs/dbraw/zinc/16/78/72/742167872.db2.gz KCRCYEVLHGZYCN-JHJVBQTASA-N 0 0 351.830 2.983 20 10 FFCDRN Cc1ccc(C(=O)NC(C)(C)CCNC(=O)OC(C)(C)C)c(O)c1O ZINC000817658944 742192148 /nfs/dbraw/zinc/19/21/48/742192148.db2.gz OIFQEXQWUWLVMG-UHFFFAOYSA-N 0 0 352.431 2.829 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N[C@@H]3CCCc4c[nH]nc43)cs2)cc1 ZINC000817940952 742223217 /nfs/dbraw/zinc/22/32/17/742223217.db2.gz QGJVEOZBCFQNCG-CQSZACIVSA-N 0 0 353.451 2.847 20 10 FFCDRN Cn1nc2c(c1NC(=O)c1csc(Cc3ccc(N)cc3)n1)CCC2 ZINC000817964139 742224775 /nfs/dbraw/zinc/22/47/75/742224775.db2.gz YTSZCIHPMAAHSW-UHFFFAOYSA-N 0 0 353.451 2.791 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cn4ccnc4s3)C2)cc1 ZINC000819586597 742411125 /nfs/dbraw/zinc/41/11/25/742411125.db2.gz AHUXLPAMHYZYKO-CYBMUJFWSA-N 0 0 356.451 2.661 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3nc4c(s3)CCC4)C2)cc1 ZINC000819587224 742411570 /nfs/dbraw/zinc/41/15/70/742411570.db2.gz IRFNFVGYIPKBAB-CYBMUJFWSA-N 0 0 357.479 2.897 20 10 FFCDRN Cc1cc(C(=O)NCCCCS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000819607863 742414245 /nfs/dbraw/zinc/41/42/45/742414245.db2.gz AOXZHZHFVXDDQC-UHFFFAOYSA-N 0 0 362.495 2.957 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)CCOCC3CC3)cc2)CC1 ZINC000819868305 742437627 /nfs/dbraw/zinc/43/76/27/742437627.db2.gz ORJHAXLIBFNOAS-UHFFFAOYSA-N 0 0 366.527 2.769 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)Cc1c(F)ccc(O)c1F ZINC000822511602 742747018 /nfs/dbraw/zinc/74/70/18/742747018.db2.gz JZNVDFCOJQUMQH-UHFFFAOYSA-N 0 0 351.349 2.941 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc(C2CC2)nc1 ZINC000822586645 742755301 /nfs/dbraw/zinc/75/53/01/742755301.db2.gz VUEDTDIISONDII-UHFFFAOYSA-N 0 0 354.479 2.837 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)CCCSC)C2)cc1 ZINC000823733629 742970341 /nfs/dbraw/zinc/97/03/41/742970341.db2.gz QQXXDWQAXXHUFY-HNNXBMFYSA-N 0 0 351.516 2.916 20 10 FFCDRN C[C@@H](NC(=O)c1ccnn1C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000823834562 742987552 /nfs/dbraw/zinc/98/75/52/742987552.db2.gz IZFNVEGJBFRDBK-GFCCVEGCSA-N 0 0 350.369 2.606 20 10 FFCDRN CC(C)(C)OC(=O)[C@@H]1CN(Cc2ccc(Br)cc2O)CCO1 ZINC000824849718 743163134 /nfs/dbraw/zinc/16/31/34/743163134.db2.gz HDQASBKWJPVOFB-AWEZNQCLSA-N 0 0 372.259 2.697 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1ccc2c(n1)OCCO2 ZINC000825018690 743196363 /nfs/dbraw/zinc/19/63/63/743196363.db2.gz BKBGOXDETMKBLN-UHFFFAOYSA-N 0 0 352.441 2.613 20 10 FFCDRN Cn1nccc1[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])CCO1 ZINC000825045610 743200298 /nfs/dbraw/zinc/20/02/98/743200298.db2.gz IBJNMEQJLWDUKA-DOMZBBRYSA-N 0 0 366.259 2.898 20 10 FFCDRN O=S1(=O)CCCN1Cc1cccc(NCc2cccc(F)c2O)c1 ZINC000826827945 743451499 /nfs/dbraw/zinc/45/14/99/743451499.db2.gz JJNUSJZPJCLZLA-UHFFFAOYSA-N 0 0 350.415 2.679 20 10 FFCDRN CCS(=O)(=O)N(C)c1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000827401114 743568394 /nfs/dbraw/zinc/56/83/94/743568394.db2.gz LMEVGZQJILPAKR-UHFFFAOYSA-N 0 0 350.440 2.799 20 10 FFCDRN CC(C)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000827687494 744960746 /nfs/dbraw/zinc/96/07/46/744960746.db2.gz QVGMPFNXWWJIPY-ZDUSSCGKSA-N 0 0 355.276 2.891 20 10 FFCDRN COc1cccc(CN2CC(O)(c3ccc(Br)cc3)C2)c1O ZINC000827758117 744972381 /nfs/dbraw/zinc/97/23/81/744972381.db2.gz XJRZELWWDCJOGW-UHFFFAOYSA-N 0 0 364.239 2.867 20 10 FFCDRN Cc1c(S(=O)(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)cnn1C ZINC000828227843 745045259 /nfs/dbraw/zinc/04/52/59/745045259.db2.gz WTSSKNCHONCMGC-UHFFFAOYSA-N 0 0 359.451 2.867 20 10 FFCDRN CC[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000828238136 745046856 /nfs/dbraw/zinc/04/68/56/745046856.db2.gz CXPNKTKNQSTXKD-CHWSQXEVSA-N 0 0 355.529 2.779 20 10 FFCDRN C[C@@H]1CCC[C@H](C2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)C1 ZINC000829130920 745170434 /nfs/dbraw/zinc/17/04/34/745170434.db2.gz RVVRNRFTFHTQNY-OLZOCXBDSA-N 0 0 366.483 2.662 20 10 FFCDRN Cc1cc(CN2CC[C@H](C)S(=O)(=O)CC2)ccc1N1CCCCC1 ZINC000829234016 745181905 /nfs/dbraw/zinc/18/19/05/745181905.db2.gz JNNXHGWYBPFDPN-KRWDZBQOSA-N 0 0 350.528 2.994 20 10 FFCDRN COC(=O)c1cnc(S[C@H](C(=O)NCc2cccnc2)C(C)C)s1 ZINC000829684613 745244952 /nfs/dbraw/zinc/24/49/52/745244952.db2.gz VNBJAHKAHKPRFW-ZDUSSCGKSA-N 0 0 365.480 2.758 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC000830297962 745335361 /nfs/dbraw/zinc/33/53/61/745335361.db2.gz PUUCSXICWBPCTL-SFHVURJKSA-N 0 0 366.458 2.699 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cc2n(n1)CCCC2 ZINC000831936509 745608208 /nfs/dbraw/zinc/60/82/08/745608208.db2.gz CMZVMPHSCNQQQA-UHFFFAOYSA-N 0 0 350.216 2.618 20 10 FFCDRN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834879800 745917651 /nfs/dbraw/zinc/91/76/51/745917651.db2.gz WLFCRYCUXQVLKT-BDAKNGLRSA-N 0 0 355.287 2.677 20 10 FFCDRN CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000835067410 745943371 /nfs/dbraw/zinc/94/33/71/745943371.db2.gz FQGSLNOAPHSBPJ-LBPRGKRZSA-N 0 0 374.840 2.910 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC(CF)CF)cc2F)C[C@H](C)O1 ZINC000836242256 746173188 /nfs/dbraw/zinc/17/31/88/746173188.db2.gz SWHMNKCBVQKKGU-TXEJJXNPSA-N 0 0 359.392 2.546 20 10 FFCDRN C[C@H](F)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000836242984 746173297 /nfs/dbraw/zinc/17/32/97/746173297.db2.gz ZLTYPDVXUFKLQE-MELADBBJSA-N 0 0 355.429 2.987 20 10 FFCDRN Cc1ncsc1CCNC(=O)NCc1cc(Br)ccc1O ZINC000836578086 746260356 /nfs/dbraw/zinc/26/03/56/746260356.db2.gz RNKSGJDKIYVBOC-UHFFFAOYSA-N 0 0 370.272 2.962 20 10 FFCDRN CCS(=O)(=O)C1CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC000836907855 746329193 /nfs/dbraw/zinc/32/91/93/746329193.db2.gz SOGMSQOFIAVXDO-UHFFFAOYSA-N 0 0 360.479 2.662 20 10 FFCDRN C[C@H](CC(F)(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000837447291 746448027 /nfs/dbraw/zinc/44/80/27/746448027.db2.gz UIFQGWGCBNRCKD-LLVKDONJSA-N 0 0 362.367 2.992 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H](CO)CC1 ZINC000837651244 746492748 /nfs/dbraw/zinc/49/27/48/746492748.db2.gz ITLALOMDDSPLEQ-QGZVFWFLSA-N 0 0 363.527 2.544 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CCCSC1 ZINC000837714206 746504771 /nfs/dbraw/zinc/50/47/71/746504771.db2.gz IQXAILIGVHAWJR-ZDUSSCGKSA-N 0 0 356.438 2.561 20 10 FFCDRN CC[C@H](NC(=O)NCc1ccc(N(CC)CC)c(F)c1)[C@H](O)C(F)F ZINC000838391191 746629895 /nfs/dbraw/zinc/62/98/95/746629895.db2.gz JGWQUWDRSKQUSC-ZFWWWQNUSA-N 0 0 361.408 2.876 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000838512833 746655653 /nfs/dbraw/zinc/65/56/53/746655653.db2.gz AFKNNMHQNHYQOS-MGPQQGTHSA-N 0 0 355.529 2.960 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCCCCC1 ZINC000838741675 746703986 /nfs/dbraw/zinc/70/39/86/746703986.db2.gz CDCSRTUKYLLTJW-UHFFFAOYSA-N 0 0 353.413 2.887 20 10 FFCDRN CSC(C)(C)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838746500 746705479 /nfs/dbraw/zinc/70/54/79/746705479.db2.gz JBZQINJNSJWUPH-UHFFFAOYSA-N 0 0 373.469 2.742 20 10 FFCDRN CC(C)[C@H](C)N(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747222 746705980 /nfs/dbraw/zinc/70/59/80/746705980.db2.gz PDSAYNXGTJKWQV-ZDUSSCGKSA-N 0 0 355.429 2.987 20 10 FFCDRN CCNS(=O)(=O)c1cccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC000839147972 746788371 /nfs/dbraw/zinc/78/83/71/746788371.db2.gz CUPJHNFISGPKIV-UHFFFAOYSA-N 0 0 372.849 2.773 20 10 FFCDRN CCS(=O)(=O)CCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000839901257 746957850 /nfs/dbraw/zinc/95/78/50/746957850.db2.gz BHFGQHBJPGCGAG-UHFFFAOYSA-N 0 0 362.495 2.957 20 10 FFCDRN C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1csnn1 ZINC000840459308 747099247 /nfs/dbraw/zinc/09/92/47/747099247.db2.gz RQALKKDMSFWGEQ-TZMCWYRMSA-N 0 0 362.455 2.696 20 10 FFCDRN Cc1ccc(C(=O)N(C)CCCN(C)C(=O)OC(C)(C)C)c(O)c1O ZINC000840528745 747117186 /nfs/dbraw/zinc/11/71/86/747117186.db2.gz HLXKNIHLLPUVEL-UHFFFAOYSA-N 0 0 352.431 2.735 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000840825568 747193102 /nfs/dbraw/zinc/19/31/02/747193102.db2.gz HIVDBCYMOAMWLX-DTWKUNHWSA-N 0 0 361.667 2.985 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)C1CCSCC1 ZINC000840920075 747226396 /nfs/dbraw/zinc/22/63/96/747226396.db2.gz APDMDCIETONXDB-UHFFFAOYSA-N 0 0 364.536 2.568 20 10 FFCDRN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2ccc(N(C)C)cc2C)cn1 ZINC000840941666 747236279 /nfs/dbraw/zinc/23/62/79/747236279.db2.gz HBAUPROJRBCPDD-DFBJGRDBSA-N 0 0 360.527 2.583 20 10 FFCDRN C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1[O-] ZINC000841744191 747446553 /nfs/dbraw/zinc/44/65/53/747446553.db2.gz MTAALSYREKOYMI-GFCCVEGCSA-N 0 0 365.861 2.951 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)CCC(C)(C)[N+](=O)[O-])C2)cc1 ZINC000842874136 747711080 /nfs/dbraw/zinc/71/10/80/747711080.db2.gz KQLJUCCVJWLMSF-CQSZACIVSA-N 0 0 350.415 2.900 20 10 FFCDRN COCc1ncc(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000842876982 747712411 /nfs/dbraw/zinc/71/24/11/747712411.db2.gz YXSHZOMWWVBOCO-ZDUSSCGKSA-N 0 0 362.451 2.981 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000842884368 747713676 /nfs/dbraw/zinc/71/36/76/747713676.db2.gz QHJSNCBZRHHLAW-CMPLNLGQSA-N 0 0 369.389 2.556 20 10 FFCDRN [NH3+]C1CCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000843047730 747756108 /nfs/dbraw/zinc/75/61/08/747756108.db2.gz YEOLYZBHVSGCSR-UHFFFAOYSA-N 0 0 364.081 2.840 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@]3(CCSC3)C2)c(C)n1-c1ccccn1 ZINC000843946734 747939302 /nfs/dbraw/zinc/93/93/02/747939302.db2.gz QYJVKXWDFZJZLG-LJQANCHMSA-N 0 0 357.479 2.837 20 10 FFCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-n2cncn2)c(F)c1 ZINC000844244421 747992381 /nfs/dbraw/zinc/99/23/81/747992381.db2.gz KSYNKNYEFMADAA-OQLLNIDSSA-N 0 0 357.414 2.863 20 10 FFCDRN CCOC(=O)c1csc(CN(C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844401019 748021901 /nfs/dbraw/zinc/02/19/01/748021901.db2.gz HATVSTWDGVIZIA-UHFFFAOYSA-N 0 0 363.483 2.897 20 10 FFCDRN C[C@H]1CN(C(C)(C)CNC(=O)NCc2cc(Cl)ccc2O)C[C@H](C)O1 ZINC000844867701 748119760 /nfs/dbraw/zinc/11/97/60/748119760.db2.gz QBDYXELZHOFWQW-STQMWFEESA-N 0 0 369.893 2.733 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000844887102 748125423 /nfs/dbraw/zinc/12/54/23/748125423.db2.gz UKHPGFPMHQANNE-JTQLQIEISA-N 0 0 365.783 2.729 20 10 FFCDRN COc1ccc2c(c1)OC[C@H](NC(=O)NCc1cc(Cl)ccc1O)C2 ZINC000845085185 748176443 /nfs/dbraw/zinc/17/64/43/748176443.db2.gz VJUFGWCBMCXLBO-CQSZACIVSA-N 0 0 362.813 2.857 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCC(C)(C)CCCO)cc1 ZINC000845087650 748177117 /nfs/dbraw/zinc/17/71/17/748177117.db2.gz FSSXTRPWZIJOHP-UHFFFAOYSA-N 0 0 351.491 2.572 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000845987863 748375988 /nfs/dbraw/zinc/37/59/88/748375988.db2.gz MMJGJULCZZIZTD-UHFFFAOYSA-N 0 0 366.458 2.732 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2c(Br)cnn2C)cc1 ZINC000846051501 748392835 /nfs/dbraw/zinc/39/28/35/748392835.db2.gz IKNVXATUICJWDA-UHFFFAOYSA-N 0 0 367.291 2.759 20 10 FFCDRN CC[C@@H](C)[C@@H](NC(=O)C(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000846123244 748411849 /nfs/dbraw/zinc/41/18/49/748411849.db2.gz VJMNNMGKWLYVLX-PRHODGIISA-N 0 0 366.767 2.755 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)cc(F)c1[O-] ZINC000846206613 748430514 /nfs/dbraw/zinc/43/05/14/748430514.db2.gz QSZYWIXINVNLLV-UWVGGRQHSA-N 0 0 371.250 2.955 20 10 FFCDRN C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000846214286 748431905 /nfs/dbraw/zinc/43/19/05/748431905.db2.gz UYFVVTLVBXHBDO-BONVTDFDSA-N 0 0 362.239 2.876 20 10 FFCDRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846471988 748487062 /nfs/dbraw/zinc/48/70/62/748487062.db2.gz DXCUZQPFOYAOOP-QWHCGFSZSA-N 0 0 352.862 2.947 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Br)cc(F)c1[O-] ZINC000848573401 748963639 /nfs/dbraw/zinc/96/36/39/748963639.db2.gz ZMPUOXFBQHYJTP-KCJUWKMLSA-N 0 0 373.222 2.928 20 10 FFCDRN CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000848918594 749033876 /nfs/dbraw/zinc/03/38/76/749033876.db2.gz FEHHFLLPHIMSPD-HNNXBMFYSA-N 0 0 367.833 2.690 20 10 FFCDRN CO[C@H](CS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1)C1CCCC1 ZINC000849368794 749114111 /nfs/dbraw/zinc/11/41/11/749114111.db2.gz INYWRUIPJRXUHT-GOSISDBHSA-N 0 0 354.516 2.719 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCc1ccccc1F ZINC000849374888 749118997 /nfs/dbraw/zinc/11/89/97/749118997.db2.gz JFWWDIMZUUVEBG-UHFFFAOYSA-N 0 0 350.459 2.862 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3sccc3Cl)C2)cc1 ZINC000849417337 749143374 /nfs/dbraw/zinc/14/33/74/749143374.db2.gz PIAFBLULWNCWIX-LLVKDONJSA-N 0 0 372.899 2.967 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3cc(F)ccc3C)C2)cc1 ZINC000849416826 749143462 /nfs/dbraw/zinc/14/34/62/749143462.db2.gz XGSRBAIMHLPNNR-HNNXBMFYSA-N 0 0 364.442 2.700 20 10 FFCDRN CCc1nnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000849972801 749273919 /nfs/dbraw/zinc/27/39/19/749273919.db2.gz ZXDUTZYBDDPXGQ-UHFFFAOYSA-N 0 0 350.513 2.917 20 10 FFCDRN CCOc1ccc(CNc2ccc(OCCS(C)(=O)=O)cc2)c(O)c1 ZINC000850346482 749346423 /nfs/dbraw/zinc/34/64/23/749346423.db2.gz GMMXZNCZKODLKH-UHFFFAOYSA-N 0 0 365.451 2.826 20 10 FFCDRN CCOc1cccc(CNc2ccc(OCCS(C)(=O)=O)cc2)c1O ZINC000850347460 749346799 /nfs/dbraw/zinc/34/67/99/749346799.db2.gz UPIXEUQRNGDOLU-UHFFFAOYSA-N 0 0 365.451 2.826 20 10 FFCDRN Nc1ccc(CC(=O)N2CCN(c3ccc(Br)cc3)CC2)cc1 ZINC000851644198 749640320 /nfs/dbraw/zinc/64/03/20/749640320.db2.gz LTEDQKGZJLGDRS-UHFFFAOYSA-N 0 0 374.282 2.923 20 10 FFCDRN C[C@@H](NC(=O)N(C)CC1=CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000852013560 749751739 /nfs/dbraw/zinc/75/17/39/749751739.db2.gz VMVZDRRSGKHMKM-OAHLLOKOSA-N 0 0 361.511 2.899 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@@H]1CCC(F)(F)C1 ZINC000852210993 749803240 /nfs/dbraw/zinc/80/32/40/749803240.db2.gz DGQMWRSEOILHKI-CQSZACIVSA-N 0 0 353.413 2.635 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C(=O)OC(C)(C)C)c1O ZINC000852239911 749811538 /nfs/dbraw/zinc/81/15/38/749811538.db2.gz VMFPIZJXNPKUBD-HNNXBMFYSA-N 0 0 369.845 2.791 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@H]1CCCSC1 ZINC000852339837 749839348 /nfs/dbraw/zinc/83/93/48/749839348.db2.gz XDGBSZAPAPRIFC-MRXNPFEDSA-N 0 0 363.527 2.590 20 10 FFCDRN CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000852351015 749841885 /nfs/dbraw/zinc/84/18/85/749841885.db2.gz HBSDFODDMCHGGI-SRCQZFHVSA-N 0 0 355.862 2.904 20 10 FFCDRN CS(=O)(=O)Nc1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000853002692 749982731 /nfs/dbraw/zinc/98/27/31/749982731.db2.gz SKELRBLAJGHWOT-SDNWHVSQSA-N 0 0 365.480 2.514 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCC1CCSCC1 ZINC000853730786 750147549 /nfs/dbraw/zinc/14/75/49/750147549.db2.gz BMYZKMCQAVNQBR-UHFFFAOYSA-N 0 0 363.527 2.590 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3nc4cccnc4s3)C2)cc1 ZINC000853818613 750172576 /nfs/dbraw/zinc/17/25/76/750172576.db2.gz XIGWDLICYFVTPP-LBPRGKRZSA-N 0 0 354.435 2.709 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3CCC(=O)N3)cc2Cl)C1 ZINC000854344879 750288883 /nfs/dbraw/zinc/28/88/83/750288883.db2.gz RPPYYKRSMHHELX-HIFRSBDPSA-N 0 0 363.889 2.861 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCCn1nc2ccccn2c1=O ZINC000046581554 845121077 /nfs/dbraw/zinc/12/10/77/845121077.db2.gz FFOMFWSSFIKKMV-UHFFFAOYSA-N 0 0 351.435 2.689 20 10 FFCDRN CCOC(=O)N1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000048794968 845178780 /nfs/dbraw/zinc/17/87/80/845178780.db2.gz UMPGFJPUBCOAMC-UHFFFAOYSA-N 0 0 357.248 2.865 20 10 FFCDRN O=C(CSc1nccs1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055524270 845330756 /nfs/dbraw/zinc/33/07/56/845330756.db2.gz SMXQDMRFRMQFSU-UHFFFAOYSA-N 0 0 367.471 2.527 20 10 FFCDRN CCS(=O)(=O)NCCN(Cc1cccs1)c1ccc(OC)cc1 ZINC000068822160 845530932 /nfs/dbraw/zinc/53/09/32/845530932.db2.gz HXBCWJPDBGPMRD-UHFFFAOYSA-N 0 0 354.497 2.703 20 10 FFCDRN COc1ccc(N2CCN(Cn3ncn(C(C)(C)C)c3=S)CC2)cc1 ZINC000068867916 845532331 /nfs/dbraw/zinc/53/23/31/845532331.db2.gz UBSORLLCAGXODA-UHFFFAOYSA-N 0 0 361.515 2.957 20 10 FFCDRN COCCN(C(=O)/C=C\c1cccnc1)c1cccc(Br)n1 ZINC000588514245 845971637 /nfs/dbraw/zinc/97/16/37/845971637.db2.gz PKQNHDVMBAQWQU-FPLPWBNLSA-N 0 0 362.227 2.932 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@]34C[C@H]3COC43CCC3)C2)cc1 ZINC000895651338 970806047 /nfs/dbraw/zinc/80/60/47/970806047.db2.gz WNPMXTOAJVMIAJ-TWOQFEAHSA-N 0 0 371.481 2.532 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NC[C@]34C[C@H]3COC43CCC3)C2)cc1 ZINC000895651337 970806204 /nfs/dbraw/zinc/80/62/04/970806204.db2.gz WNPMXTOAJVMIAJ-RZQQEMMASA-N 0 0 371.481 2.532 20 10 FFCDRN CCN(CC)C(=O)CCC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000180633317 970841484 /nfs/dbraw/zinc/84/14/84/970841484.db2.gz RLWBAMYHBSDFRA-JXMROGBWSA-N 0 0 374.481 2.998 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1cccc(C(N)=O)c1 ZINC000840253887 970846948 /nfs/dbraw/zinc/84/69/48/970846948.db2.gz SQRSLLIABLWUHM-HNNXBMFYSA-N 0 0 368.481 2.590 20 10 FFCDRN O=C(CC[C@H]1CC[C@H](C2OCCO2)O1)NCc1ccc(N2CCCC2)cc1 ZINC000895710593 970871678 /nfs/dbraw/zinc/87/16/78/970871678.db2.gz JLJWLIRBBMEBLO-RTBURBONSA-N 0 0 374.481 2.604 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCN1CCCCC1=O ZINC000840290227 970981508 /nfs/dbraw/zinc/98/15/08/970981508.db2.gz BMBZLUKIBZWCKW-QGZVFWFLSA-N 0 0 374.529 2.694 20 10 FFCDRN CCOCc1ccccc1CNC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000182395024 971025455 /nfs/dbraw/zinc/02/54/55/971025455.db2.gz URHTYLCYDWDSAY-HNNXBMFYSA-N 0 0 372.465 2.904 20 10 FFCDRN Nc1ccc([N+](=O)[O-])c(NCc2cc(F)c(N3CCOCC3)c(F)c2)c1 ZINC000840326728 971082611 /nfs/dbraw/zinc/08/26/11/971082611.db2.gz VGGGVJZOGJNXTI-UHFFFAOYSA-N 0 0 364.352 2.904 20 10 FFCDRN Cc1nc2[nH]ccc2c(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000840326876 971083450 /nfs/dbraw/zinc/08/34/50/971083450.db2.gz JYQAHNJYJCYULP-UHFFFAOYSA-N 0 0 359.380 2.993 20 10 FFCDRN COc1cc(N(C)Cc2ccc(F)cc2-c2nn[nH]n2)cc(OC)c1OC ZINC000737054526 944938986 /nfs/dbraw/zinc/93/89/86/944938986.db2.gz RZCGJAPHGBSNRO-UHFFFAOYSA-N 0 0 373.388 2.668 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000840377202 971185559 /nfs/dbraw/zinc/18/55/59/971185559.db2.gz PNGBAZIMRQGSRP-HOCLYGCPSA-N 0 0 355.486 2.572 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000840479009 971356126 /nfs/dbraw/zinc/35/61/26/971356126.db2.gz LGFYDOUAUJMXFO-IPELMVKDSA-N 0 0 374.529 2.725 20 10 FFCDRN Cc1cnc2c(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cnn2c1 ZINC000896270324 971389950 /nfs/dbraw/zinc/38/99/50/971389950.db2.gz OVKRBJJTVRXGLC-INIZCTEOSA-N 0 0 366.421 2.565 20 10 FFCDRN Cc1ccnc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1-c1nn[nH]n1 ZINC000826312181 947905587 /nfs/dbraw/zinc/90/55/87/947905587.db2.gz XPVWVJJPUMKPOH-AWEZNQCLSA-N 0 0 365.441 2.580 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CCC(=O)N[C@@H](C)c2ccccc2)c1 ZINC000896361468 971456459 /nfs/dbraw/zinc/45/64/59/971456459.db2.gz LVUPBXXCXJXFKI-AWEZNQCLSA-N 0 0 356.422 2.675 20 10 FFCDRN Cc1csc(C[C@@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)n1 ZINC000896624549 971629633 /nfs/dbraw/zinc/62/96/33/971629633.db2.gz YXTLYLRDHXIMKR-NSHDSACASA-N 0 0 374.422 2.760 20 10 FFCDRN CCC1=C(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCCO1 ZINC000191913893 971669288 /nfs/dbraw/zinc/66/92/88/971669288.db2.gz HUROKJSJGYKNFB-UHFFFAOYSA-N 0 0 358.482 2.986 20 10 FFCDRN Cc1cccc2c(=O)[nH]c(COC(=O)C=Cc3ccc(O)c(O)c3)nc12 ZINC000759789513 971665870 /nfs/dbraw/zinc/66/58/70/971665870.db2.gz YGLDPCDHHATAMP-SOFGYWHQSA-N 0 0 352.346 2.812 20 10 FFCDRN COCCO[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000194074508 971838659 /nfs/dbraw/zinc/83/86/59/971838659.db2.gz BQGUKVDTRAIDQA-LJQANCHMSA-N 0 0 361.486 2.624 20 10 FFCDRN CCOC(=O)[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000194743680 971893021 /nfs/dbraw/zinc/89/30/21/971893021.db2.gz AOYUPSLEKSQODH-HXUWFJFHSA-N 0 0 354.450 2.917 20 10 FFCDRN CC(C)Cn1nccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000843537334 959192358 /nfs/dbraw/zinc/19/23/58/959192358.db2.gz RWUOGAFPPGEJMB-MRXNPFEDSA-N 0 0 356.470 2.867 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)/C=C\c1cncc(C(=O)NC)c1 ZINC000254984301 959732564 /nfs/dbraw/zinc/73/25/64/959732564.db2.gz KYUHQEWTXHLQPR-HJWRWDBZSA-N 0 0 353.422 2.599 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC[C@@H](O)[C@@H](F)C2)ccc1C ZINC000890682028 960003214 /nfs/dbraw/zinc/00/32/14/960003214.db2.gz OCLCAFXCXIBTNL-PKOBYXMFSA-N 0 0 358.413 2.760 20 10 FFCDRN C[C@H](NC(=O)N1CCOCC2(CCC2)C1)c1ccc(N2CCOCC2)cc1 ZINC000760097065 972483100 /nfs/dbraw/zinc/48/31/00/972483100.db2.gz XOYSBPIMLDNJGL-KRWDZBQOSA-N 0 0 373.497 2.796 20 10 FFCDRN CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccccc1S(C)(=O)=O ZINC000255072163 961031157 /nfs/dbraw/zinc/03/11/57/961031157.db2.gz QDPWPHUKAANOOD-QXMHVHEDSA-N 0 0 367.430 2.710 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H](OC)c3ccccc3)CC2)cc1F ZINC000177284913 961317267 /nfs/dbraw/zinc/31/72/67/961317267.db2.gz GALNKMDKYGJWAD-IBGZPJMESA-N 0 0 358.413 2.871 20 10 FFCDRN CCc1ccc(N2C[C@@H](C(=O)NCc3ccc(N(C)C)cc3)CC2=O)cc1 ZINC000008171446 1013284676 /nfs/dbraw/zinc/28/46/76/1013284676.db2.gz AJMQVUHQHNZBNR-SFHVURJKSA-N 0 0 365.477 2.984 20 10 FFCDRN CC(C)=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001276031754 1013297543 /nfs/dbraw/zinc/29/75/43/1013297543.db2.gz NNUSUAWQLAAFNG-HXUWFJFHSA-N 0 0 362.445 2.548 20 10 FFCDRN O=C1N(Cc2ccncc2)CC[C@@]12CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001276037369 1013300036 /nfs/dbraw/zinc/30/00/36/1013300036.db2.gz HPIJNSWUDNOTBL-HXUWFJFHSA-N 0 0 355.413 2.551 20 10 FFCDRN CC(C)(C)C(=O)CN1CC[C@@]2(CC[N@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001276031198 1013297931 /nfs/dbraw/zinc/29/79/31/1013297931.db2.gz FLKDTOFWNQEBIN-HXUWFJFHSA-N 0 0 362.445 2.571 20 10 FFCDRN O=C1C[C@]2(CN1Cc1cnoc1)CCCC[N@H+]2Cc1c([O-])cccc1F ZINC001276038237 1013348792 /nfs/dbraw/zinc/34/87/92/1013348792.db2.gz TWKWTBDLKOGSNE-IBGZPJMESA-N 0 0 359.401 2.677 20 10 FFCDRN 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CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2c(C)cc(C)cc2O)c1 ZINC001191320413 1003781764 /nfs/dbraw/zinc/78/17/64/1003781764.db2.gz SGJVWJRWILSABV-UHFFFAOYSA-N 0 0 369.421 2.856 20 10 FFCDRN CCOC(=O)c1ccc(S(=O)(=O)N(CC)Cc2ccccc2O)cc1 ZINC001191436985 1003829124 /nfs/dbraw/zinc/82/91/24/1003829124.db2.gz OCMXIENHEJQAGM-UHFFFAOYSA-N 0 0 363.435 2.780 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccccc3C)CC2)cc1 ZINC000102591947 1003908369 /nfs/dbraw/zinc/90/83/69/1003908369.db2.gz QGHDWVKTGYQTJT-UHFFFAOYSA-N 0 0 367.449 2.727 20 10 FFCDRN CCOC(=O)c1cccc(CNC(=S)Nc2ccc(C(=O)OC)cc2)n1 ZINC001196783520 1003953646 /nfs/dbraw/zinc/95/36/46/1003953646.db2.gz OKJGDFLWZZLQFO-UHFFFAOYSA-N 0 0 373.434 2.532 20 10 FFCDRN Cc1c(C(=O)Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)ccn1C ZINC001191842003 1003978177 /nfs/dbraw/zinc/97/81/77/1003978177.db2.gz CEVCODJXZOKRHS-UHFFFAOYSA-N 0 0 359.385 2.943 20 10 FFCDRN COc1ccc2cc(S(=O)(=O)NCc3cccc(O)c3O)ccc2c1 ZINC001191984109 1004013193 /nfs/dbraw/zinc/01/31/93/1004013193.db2.gz 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FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cnn(C3CCCC3)c2)cc1 ZINC001351605849 1054918195 /nfs/dbraw/zinc/91/81/95/1054918195.db2.gz LSPQABUSIZTWPQ-UHFFFAOYSA-N 0 0 369.469 2.661 20 10 FFCDRN CO[C@@H]1CN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)[C@@](C)(CO)C1 ZINC001348781857 1054924281 /nfs/dbraw/zinc/92/42/81/1054924281.db2.gz UKTDGPJDOQTTJT-PZJWPPBQSA-N 0 0 370.449 2.519 20 10 FFCDRN CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2cccc(Cl)c2O)c1C ZINC001337952752 1055122927 /nfs/dbraw/zinc/12/29/27/1055122927.db2.gz ZOXWQBBTGIGUKE-SNVBAGLBSA-N 0 0 364.833 2.776 20 10 FFCDRN C[C@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847288112 1055390562 /nfs/dbraw/zinc/39/05/62/1055390562.db2.gz URVVFYKITMWSNQ-KURKYZTESA-N 0 0 374.529 2.584 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000848938543 1055402494 /nfs/dbraw/zinc/40/24/94/1055402494.db2.gz HPCDKTLVKUHFKE-RBUKOAKNSA-N 0 0 374.481 2.595 20 10 FFCDRN Cc1c(Br)c(C(=O)Nc2c3nonc3ccc2Cl)nn1C ZINC001543806159 1071548963 /nfs/dbraw/zinc/54/89/63/1071548963.db2.gz UMDPGXMNAMEUKH-UHFFFAOYSA-N 0 0 370.594 2.933 20 10 FFCDRN Cc1cc(O)ccc1CC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001352442808 1055479216 /nfs/dbraw/zinc/47/92/16/1055479216.db2.gz GCGIVFMDQYXKJV-UHFFFAOYSA-N 0 0 354.450 2.521 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@@H]1CN1CCCC1=O ZINC001350027038 1055588144 /nfs/dbraw/zinc/58/81/44/1055588144.db2.gz IRJCIDWSTOXXTA-CYBMUJFWSA-N 0 0 374.462 2.930 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ncc2cc(Cl)ccn21 ZINC000847381677 1055657928 /nfs/dbraw/zinc/65/79/28/1055657928.db2.gz QYZAYSYEMNMDRY-UHFFFAOYSA-N 0 0 370.840 2.754 20 10 FFCDRN COC(=O)c1nc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cs1 ZINC001352625646 1055662925 /nfs/dbraw/zinc/66/29/25/1055662925.db2.gz ABHAJOIMSSTJFK-UHFFFAOYSA-N 0 0 359.451 2.802 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2nnn(C(C)(C)C)n2)cc1 ZINC000847418301 1055741885 /nfs/dbraw/zinc/74/18/85/1055741885.db2.gz CLCXGLRHPNXORE-UHFFFAOYSA-N 0 0 373.505 2.616 20 10 FFCDRN CC(C)(CO)c1nc2cc(C(=O)NCc3c(O)cccc3F)ccc2[nH]1 ZINC001350610857 1055863163 /nfs/dbraw/zinc/86/31/63/1055863163.db2.gz QAAMAQCQCIGKEW-UHFFFAOYSA-N 0 0 357.385 2.608 20 10 FFCDRN Cc1cc(=O)c(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c[nH]1 ZINC001357323030 1055865260 /nfs/dbraw/zinc/86/52/60/1055865260.db2.gz GJMJOHIOQWDJQY-UHFFFAOYSA-N 0 0 358.353 2.711 20 10 FFCDRN CC(=O)NC1CCC(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC001338957781 1055965663 /nfs/dbraw/zinc/96/56/63/1055965663.db2.gz RXJIPCRCTLWZCD-LSJNQWAISA-N 0 0 359.514 2.803 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)C(=O)NCCO3)cc1 ZINC001350864882 1055975206 /nfs/dbraw/zinc/97/52/06/1055975206.db2.gz REPJTRVZHNUWAU-UHFFFAOYSA-N 0 0 367.449 2.585 20 10 FFCDRN C=CS(=O)(=O)CCC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001544078926 1071592724 /nfs/dbraw/zinc/59/27/24/1071592724.db2.gz DJUODFLOTLGVQJ-UHFFFAOYSA-N 0 0 360.479 2.967 20 10 FFCDRN C/C(=C/c1cccnc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000847539794 1056012324 /nfs/dbraw/zinc/01/23/24/1056012324.db2.gz UCLAKIOUTFWUNT-PTNGSMBKSA-N 0 0 369.440 2.902 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccn(C(C)(C)C)n3)CC2)cc1F ZINC000847557033 1056047705 /nfs/dbraw/zinc/04/77/05/1056047705.db2.gz OFRBJYJGIAEHCJ-UHFFFAOYSA-N 0 0 360.433 2.748 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3cn(C)cn3)cc2F)C[C@H](C)O1 ZINC001351389931 1056240822 /nfs/dbraw/zinc/24/08/22/1056240822.db2.gz VINJUYNQJCLSLQ-GWJAVYCQSA-N 0 0 372.444 2.502 20 10 FFCDRN Cc1cc(F)ccc1[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1C ZINC001339351064 1056358136 /nfs/dbraw/zinc/35/81/36/1056358136.db2.gz IOJYUVWCUAMGNO-KRWDZBQOSA-N 0 0 356.401 2.686 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCO[C@@]2(CCc3ccccc32)C1 ZINC001339458018 1056473201 /nfs/dbraw/zinc/47/32/01/1056473201.db2.gz PRAMIYJBPDOEBE-IBGZPJMESA-N 0 0 368.462 2.928 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc4c(n3)OCCO4)C2)cc1 ZINC000847735966 1056491797 /nfs/dbraw/zinc/49/17/97/1056491797.db2.gz VVOSAGDIEFWUIK-AWEZNQCLSA-N 0 0 370.405 2.545 20 10 FFCDRN CC(C)c1nnc2n1CCN(c1nnc(C3SC=CC3=O)n1C)[C@@H]2C ZINC001339572706 1056599050 /nfs/dbraw/zinc/59/90/50/1056599050.db2.gz KPWMZUGSLAXCOH-SNVBAGLBSA-N 0 0 359.459 2.545 20 10 FFCDRN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(Cl)c(C)cc1O ZINC000849183071 1056792440 /nfs/dbraw/zinc/79/24/40/1056792440.db2.gz PILSHXDJSWUTHX-GOSISDBHSA-N 0 0 373.840 2.691 20 10 FFCDRN C[C@@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000849230518 1056804514 /nfs/dbraw/zinc/80/45/14/1056804514.db2.gz HFIKGSZKHVSFSK-JXFKEZNVSA-N 0 0 354.450 2.870 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3nccnc3SC)CC2)cc1 ZINC001353887665 1058343377 /nfs/dbraw/zinc/34/33/77/1058343377.db2.gz RKZDHGDBAGOQKY-UHFFFAOYSA-N 0 0 358.467 2.560 20 10 FFCDRN COc1ncc(/C=C/C(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001353911982 1058366825 /nfs/dbraw/zinc/36/68/25/1058366825.db2.gz VJQSRXHTGZCTMM-JXMROGBWSA-N 0 0 352.438 2.757 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)c1c[nH]c2cc(F)ccc21 ZINC001447564104 1058670366 /nfs/dbraw/zinc/67/03/66/1058670366.db2.gz PBUQEININDWFKW-JTQLQIEISA-N 0 0 356.353 2.648 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cc(C(F)(F)F)n[nH]1 ZINC001448962512 1058845623 /nfs/dbraw/zinc/84/56/23/1058845623.db2.gz JBZSZUFFTLUGQO-UHFFFAOYSA-N 0 0 364.121 2.827 20 10 FFCDRN Fc1cc(F)cc(NC(=S)NCc2cccc(OC3COC3)n2)c1 ZINC001200684443 1059088272 /nfs/dbraw/zinc/08/82/72/1059088272.db2.gz XUMMJSSIKHQWAM-UHFFFAOYSA-N 0 0 351.378 2.624 20 10 FFCDRN O=C(CCOc1cccc(Br)c1)NCc1ccc(O)cc1O ZINC001451739800 1059139486 /nfs/dbraw/zinc/13/94/86/1059139486.db2.gz QBUXEDKTWFJONC-UHFFFAOYSA-N 0 0 366.211 2.946 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1c(C(F)(F)F)nc2ccccn21 ZINC001451770038 1059141901 /nfs/dbraw/zinc/14/19/01/1059141901.db2.gz OHTPNOBYQVDORF-UHFFFAOYSA-N 0 0 351.284 2.694 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C(C)=C\c1ccncc1 ZINC000848231682 1059430342 /nfs/dbraw/zinc/43/03/42/1059430342.db2.gz JTGAFIUPHXUBPS-QINSGFPZSA-N 0 0 354.406 2.782 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)C(=O)Nc1ccnn1C1CCCC1 ZINC001354794701 1059500192 /nfs/dbraw/zinc/50/01/92/1059500192.db2.gz WSYXMRXGWUWFAO-UHFFFAOYSA-N 0 0 362.817 2.612 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3onc4ccccc43)CC2)c(OC)c1 ZINC001454469112 1059544950 /nfs/dbraw/zinc/54/49/50/1059544950.db2.gz NYJDYKWXMZGNLN-UHFFFAOYSA-N 0 0 367.405 2.807 20 10 FFCDRN C[C@H](NC(=O)CNC(=O)c1c(F)cccc1Cl)c1ccccc1O ZINC001454812817 1059628528 /nfs/dbraw/zinc/62/85/28/1059628528.db2.gz CVCPTYQOGWWHNO-JTQLQIEISA-N 0 0 350.777 2.792 20 10 FFCDRN O=C(c1nc(Br)c2ccccn21)N1Cc2cccc(O)c2C1 ZINC001455035618 1059676444 /nfs/dbraw/zinc/67/64/44/1059676444.db2.gz AIGFOKPOUCKWPR-UHFFFAOYSA-N 0 0 358.195 2.958 20 10 FFCDRN C[C@@]1(c2cccc(NC(=O)C=Cc3ccc(O)c(O)c3)c2)COC(=O)N1 ZINC001455250407 1059740575 /nfs/dbraw/zinc/74/05/75/1059740575.db2.gz LKXCMVHMWRECBJ-QJSCKGPTSA-N 0 0 354.362 2.705 20 10 FFCDRN Cc1ncsc1/C=C/C(=O)N1CCCc2cccc(S(C)(=O)=O)c21 ZINC001354997062 1059751248 /nfs/dbraw/zinc/75/12/48/1059751248.db2.gz UKTRBCNGDPJSFU-CMDGGOBGSA-N 0 0 362.476 2.848 20 10 FFCDRN COCCc1ccc(OCCCC(=O)NCc2cc(O)ccc2O)cc1 ZINC001455357256 1059771048 /nfs/dbraw/zinc/77/10/48/1059771048.db2.gz QHVFCZRMCNFYFC-UHFFFAOYSA-N 0 0 359.422 2.762 20 10 FFCDRN COCc1nccc(NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC001355213272 1059996010 /nfs/dbraw/zinc/99/60/10/1059996010.db2.gz BFICIHCTVYUXBH-OKILXGFUSA-N 0 0 360.433 2.988 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CCn2nc(C3CC3)cc2C1 ZINC001520739487 1060022406 /nfs/dbraw/zinc/02/24/06/1060022406.db2.gz YYTCPIVCRJPXEX-UHFFFAOYSA-N 0 0 356.455 2.826 20 10 FFCDRN Cc1ccc(N2C[C@@H](C(=O)NCc3c(O)cccc3O)CCC2=O)cc1C ZINC001456232947 1060060154 /nfs/dbraw/zinc/06/01/54/1060060154.db2.gz CPDAYEBXHZWOSS-HNNXBMFYSA-N 0 0 368.433 2.774 20 10 FFCDRN Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CCCOCC1 ZINC001510676831 1060260945 /nfs/dbraw/zinc/26/09/45/1060260945.db2.gz YPGWBZUKHOXDOO-UHFFFAOYSA-N 0 0 355.486 2.805 20 10 FFCDRN CN(C)c1ccc(Cn2c(CC3CC3)nnc2Nc2ccn(C)n2)cc1F ZINC001517004351 1060298213 /nfs/dbraw/zinc/29/82/13/1060298213.db2.gz YVZGOKCNDZGLPG-UHFFFAOYSA-N 0 0 369.448 2.961 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCCc1nc(Cc2ccccc2)no1 ZINC001521181726 1060453704 /nfs/dbraw/zinc/45/37/04/1060453704.db2.gz BCWUALDSTRPOGJ-UHFFFAOYSA-N 0 0 366.421 2.750 20 10 FFCDRN CC[C@@H](C)n1nccc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001521243604 1060487765 /nfs/dbraw/zinc/48/77/65/1060487765.db2.gz DOAUMPKGNPUMSD-CQSZACIVSA-N 0 0 360.433 2.964 20 10 FFCDRN CC[C@H](C)n1nccc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001521243601 1060488621 /nfs/dbraw/zinc/48/86/21/1060488621.db2.gz DOAUMPKGNPUMSD-AWEZNQCLSA-N 0 0 360.433 2.964 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNc3nccc4c(=O)[nH]cnc43)C2)cc1 ZINC000848728249 1060562088 /nfs/dbraw/zinc/56/20/88/1060562088.db2.gz POIBNZZHEUEJDT-ZDUSSCGKSA-N 0 0 351.410 2.677 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)C(=O)Nc1ccccc1N1CCCC1 ZINC001517658959 1060583102 /nfs/dbraw/zinc/58/31/02/1060583102.db2.gz IVONXAFDCPYKAY-UHFFFAOYSA-N 0 0 373.840 2.901 20 10 FFCDRN CO[C@@]1(C)CCCN(c2nnc(C3Sc4ncccc4C3=O)n2C)C1 ZINC001355801992 1060603844 /nfs/dbraw/zinc/60/38/44/1060603844.db2.gz VRDXOOJYRKIBBQ-KRWDZBQOSA-N 0 0 359.455 2.803 20 10 FFCDRN COCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001475300874 1061040354 /nfs/dbraw/zinc/04/03/54/1061040354.db2.gz SRGCFBQVGVYDFH-UHFFFAOYSA-N 0 0 367.814 2.718 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccnn1[C@@H](C)CC ZINC001521671937 1061061729 /nfs/dbraw/zinc/06/17/29/1061061729.db2.gz XRZRZZQPVYQQEG-AWEZNQCLSA-N 0 0 359.426 2.765 20 10 FFCDRN O=S(=O)(c1cccc2nsnc21)N1CCOc2c(F)c(F)ccc21 ZINC001475399825 1061075892 /nfs/dbraw/zinc/07/58/92/1061075892.db2.gz XKOUFYDETZXKLZ-UHFFFAOYSA-N 0 0 369.374 2.557 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2n[nH]cc2[N+](=O)[O-])cc1 ZINC000763632700 1061290134 /nfs/dbraw/zinc/29/01/34/1061290134.db2.gz UEPWKHQEJMOXOM-UHFFFAOYSA-N 0 0 369.381 2.820 20 10 FFCDRN NC(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])cn1 ZINC001461332459 1061291344 /nfs/dbraw/zinc/29/13/44/1061291344.db2.gz LBRBNPSTVIJBJE-UHFFFAOYSA-N 0 0 370.634 2.592 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2CCc3ccccc3O2)cc1 ZINC001461334574 1061291554 /nfs/dbraw/zinc/29/15/54/1061291554.db2.gz DAYXYKUOHSIYAB-HXUWFJFHSA-N 0 0 354.450 2.984 20 10 FFCDRN CC1(C)OCC(NC(=O)Nc2c(-c3ccccn3)nc3ccccn32)CO1 ZINC001476767601 1061475594 /nfs/dbraw/zinc/47/55/94/1061475594.db2.gz BMKLMQGIHQFPBM-UHFFFAOYSA-N 0 0 367.409 2.669 20 10 FFCDRN O=C(NCC[C@H](O)C(F)F)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001476768483 1061475811 /nfs/dbraw/zinc/47/58/11/1061475811.db2.gz HZRXWIOKUBQQMC-LBPRGKRZSA-N 0 0 361.352 2.534 20 10 FFCDRN CNc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cccc1[N+](=O)[O-] ZINC000765422569 1061538239 /nfs/dbraw/zinc/53/82/39/1061538239.db2.gz ZNFMDWKLBNALFU-UHFFFAOYSA-N 0 0 354.410 2.949 20 10 FFCDRN C[C@H](CCNC(=O)[C@]12C[C@H]1CCC2)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001527703720 1061588159 /nfs/dbraw/zinc/58/81/59/1061588159.db2.gz MYABWWDQAFOOMV-BBEGDGIKSA-N 0 0 371.441 2.664 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(C(F)(F)F)n(C)n1 ZINC001477163925 1061605978 /nfs/dbraw/zinc/60/59/78/1061605978.db2.gz DXBDQGDNUWQCDL-QMMMGPOBSA-N 0 0 358.320 2.603 20 10 FFCDRN COC(=O)N[C@H]1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001462728763 1061747703 /nfs/dbraw/zinc/74/77/03/1061747703.db2.gz HPVNFBDFGGDISV-KRWDZBQOSA-N 0 0 355.438 2.594 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc2c(c1F)CCNC2=O ZINC001562789878 1072107059 /nfs/dbraw/zinc/10/70/59/1072107059.db2.gz ZTQCPNDVVMZOAW-UHFFFAOYSA-N 0 0 363.776 2.792 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](C)c2ccc(OC)cc2OC)c(O)c1 ZINC001528246261 1061827809 /nfs/dbraw/zinc/82/78/09/1061827809.db2.gz KMLQFDCUTMYHEI-GFCCVEGCSA-N 0 0 360.410 2.978 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)c2cccc3c2OCCO3)[NH+](C)C)cc1 ZINC001463284339 1062035505 /nfs/dbraw/zinc/03/55/05/1062035505.db2.gz KQMXWIVJPSQYJL-GOSISDBHSA-N 0 0 369.465 2.557 20 10 FFCDRN Cc1ccc(C2=NO[C@H](C(=O)N3CCOc4cc(N(C)C)ccc43)C2)cc1 ZINC001361102496 1062096302 /nfs/dbraw/zinc/09/63/02/1062096302.db2.gz UVJSMSWNPCUHIS-FQEVSTJZSA-N 0 0 365.433 2.980 20 10 FFCDRN Cc1cc(C(=O)NCCc2nc(C(C)C)nn2C)c(C)n1-c1ccccn1 ZINC001528985326 1062119225 /nfs/dbraw/zinc/11/92/25/1062119225.db2.gz LLZOUUZWGXJMPW-UHFFFAOYSA-N 0 0 366.469 2.714 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC001478840361 1062125869 /nfs/dbraw/zinc/12/58/69/1062125869.db2.gz ATUPFXMIXMPUFX-MWDXBVQZSA-N 0 0 374.529 2.641 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CCCC23OCCO3)cc1 ZINC001479160576 1062260557 /nfs/dbraw/zinc/26/05/57/1062260557.db2.gz BOUUQKRZFHLPFB-GOSISDBHSA-N 0 0 361.486 2.970 20 10 FFCDRN O=S(=O)(NCc1ccc(O)cc1O)c1csc(-c2ccccc2)n1 ZINC001463924806 1062334991 /nfs/dbraw/zinc/33/49/91/1062334991.db2.gz ZNDAULNSHBLJKL-UHFFFAOYSA-N 0 0 362.432 2.700 20 10 FFCDRN COC(=O)[C@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(C)C ZINC001463956976 1062350725 /nfs/dbraw/zinc/35/07/25/1062350725.db2.gz XRHLJBALPGYWTH-GOSISDBHSA-N 0 0 356.422 2.834 20 10 FFCDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC001464268184 1062515390 /nfs/dbraw/zinc/51/53/90/1062515390.db2.gz BBNTXVWRUDJVFX-NSHDSACASA-N 0 0 350.396 2.902 20 10 FFCDRN CCc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001464271276 1062518162 /nfs/dbraw/zinc/51/81/62/1062518162.db2.gz JBMAZYFBJHGZHD-NSHDSACASA-N 0 0 350.396 2.902 20 10 FFCDRN COCCOc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1Cl ZINC001464404928 1062592434 /nfs/dbraw/zinc/59/24/34/1062592434.db2.gz UYPNHJHZTGRZRC-UHFFFAOYSA-N 0 0 351.786 2.958 20 10 FFCDRN C[C@@H](CNC(=O)OC(C)(C)C)N(C)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001465060750 1062961690 /nfs/dbraw/zinc/96/16/90/1062961690.db2.gz DANQQZIPKFYUKQ-NSHDSACASA-N 0 0 363.418 2.834 20 10 FFCDRN Cc1cc(CC(=O)NCc2nc(C(N)=O)cs2)c(C)n1-c1ccccc1 ZINC001532549689 1063113834 /nfs/dbraw/zinc/11/38/34/1063113834.db2.gz TVTUMBDUNFPDRQ-UHFFFAOYSA-N 0 0 368.462 2.508 20 10 FFCDRN CN(C)CC(=O)Nc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001465564517 1063136543 /nfs/dbraw/zinc/13/65/43/1063136543.db2.gz HYAAUBIABQDHAR-UHFFFAOYSA-N 0 0 368.397 2.601 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nc(C(N)=O)cs2)cc1 ZINC001533067038 1063240008 /nfs/dbraw/zinc/24/00/08/1063240008.db2.gz FUQHISZXIPXOGD-UHFFFAOYSA-N 0 0 354.435 2.580 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1nc(C(F)(F)F)n2ccccc12 ZINC001465953931 1063277352 /nfs/dbraw/zinc/27/73/52/1063277352.db2.gz KVIBPLBLQOBBMN-UHFFFAOYSA-N 0 0 351.284 2.694 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)Cn3ccnc3C(C)C)CC2)cc1 ZINC001545931878 1063303238 /nfs/dbraw/zinc/30/32/38/1063303238.db2.gz ZUCLVNIZEFEYRF-UHFFFAOYSA-N 0 0 356.470 2.754 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCC(=O)C[C@H]1C ZINC001466398455 1063422391 /nfs/dbraw/zinc/42/23/91/1063422391.db2.gz NSRILHWVIJDOSR-ABAIWWIYSA-N 0 0 367.829 2.553 20 10 FFCDRN O=Cc1ccc(/C=C\C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC001441792891 1063473153 /nfs/dbraw/zinc/47/31/53/1063473153.db2.gz SUUNDFMXNSAJIW-VURMDHGXSA-N 0 0 368.408 2.804 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1cnc2ccnn2c1 ZINC001467092323 1063633958 /nfs/dbraw/zinc/63/39/58/1063633958.db2.gz MNHPCRGZVHSANM-AWEZNQCLSA-N 0 0 352.442 2.856 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(-c2ccccn2)[nH]c1=O ZINC001467841275 1063864625 /nfs/dbraw/zinc/86/46/25/1063864625.db2.gz VQISCJJYOQRQBV-UHFFFAOYSA-N 0 0 370.405 2.971 20 10 FFCDRN COC(=O)[C@@H](F)CNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC001468337248 1063968473 /nfs/dbraw/zinc/96/84/73/1063968473.db2.gz JJZYJDKCIYVNBX-KRWDZBQOSA-N 0 0 365.449 2.766 20 10 FFCDRN CCOC(=O)[C@@H]1C[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC001469611109 1064179681 /nfs/dbraw/zinc/17/96/81/1064179681.db2.gz FMAVILDPBVVDPJ-HUUCEWRRSA-N 0 0 372.387 2.843 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2cnn(-c3ccc([N+](=O)[O-])cc3)c2)c1 ZINC001470254374 1064288343 /nfs/dbraw/zinc/28/83/43/1064288343.db2.gz FPQAERRMCYRZCR-UHFFFAOYSA-N 0 0 352.350 2.725 20 10 FFCDRN COC(OC)[C@@H](C)NC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001470968974 1064511974 /nfs/dbraw/zinc/51/19/74/1064511974.db2.gz NSBYLQJDKNRSNY-OAHLLOKOSA-N 0 0 359.470 2.943 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCc1nc(Cc2ccccc2F)no1 ZINC001471329041 1064641065 /nfs/dbraw/zinc/64/10/65/1064641065.db2.gz PETDKGNZUYKRTO-UHFFFAOYSA-N 0 0 370.384 2.847 20 10 FFCDRN Cc1cc(C)n(Cc2cccc(C(=O)NCc3cccc(O)c3O)c2)n1 ZINC001471644141 1064745706 /nfs/dbraw/zinc/74/57/06/1064745706.db2.gz NIICJDOQZYAQBK-UHFFFAOYSA-N 0 0 351.406 2.889 20 10 FFCDRN Cc1cc([N+](=O)[O-])cnc1NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001472879326 1065165909 /nfs/dbraw/zinc/16/59/09/1065165909.db2.gz RSCCOXZGDCWTJK-UHFFFAOYSA-N 0 0 369.425 2.612 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CCN(C)c3cc(Cl)ccc32)cc1 ZINC001473689705 1065319423 /nfs/dbraw/zinc/31/94/23/1065319423.db2.gz ZSOBHEWURGLNHN-UHFFFAOYSA-N 0 0 372.900 2.979 20 10 FFCDRN Cn1cnc2cc(NCc3ccc(OCCN4CCOCC4)cc3)ccc21 ZINC001474050655 1065447099 /nfs/dbraw/zinc/44/70/99/1065447099.db2.gz QDRGLETYEUKJAR-UHFFFAOYSA-N 0 0 366.465 2.896 20 10 FFCDRN Cc1ccc(C(N)=O)cc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001474053516 1065447232 /nfs/dbraw/zinc/44/72/32/1065447232.db2.gz BFNCKHYSSCJDJK-UHFFFAOYSA-N 0 0 356.445 2.597 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H](O)Cc1ccccc1 ZINC001474142132 1065462483 /nfs/dbraw/zinc/46/24/83/1065462483.db2.gz AHAKWZNWCVQGCY-CQSZACIVSA-N 0 0 354.219 2.987 20 10 FFCDRN COc1ccnc(N2CCN(C/C=C\c3ccc(N(C)C)cc3)CC2)c1 ZINC001474335425 1065495387 /nfs/dbraw/zinc/49/53/87/1065495387.db2.gz TXAHOEAZJWCKQL-PLNGDYQASA-N 0 0 352.482 2.992 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H](C)c2cn[nH]n2)ccc1C ZINC001577365002 1078342866 /nfs/dbraw/zinc/34/28/66/1078342866.db2.gz BLSSMXGCJIWCHY-CYBMUJFWSA-N 0 0 351.410 2.824 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1n[nH]cc1-c1nn[nH]n1 ZINC001581137483 1078924158 /nfs/dbraw/zinc/92/41/58/1078924158.db2.gz IOECABFWNVETKN-UHFFFAOYSA-N 0 0 362.397 2.558 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC001582544726 1079061119 /nfs/dbraw/zinc/06/11/19/1079061119.db2.gz HSPSTDUETNQSPK-UHFFFAOYSA-N 0 0 369.812 2.574 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@@H]3C3CCCC3)CC2)cc1 ZINC001583752310 1079259034 /nfs/dbraw/zinc/25/90/34/1079259034.db2.gz MHFGDSHUTIWRSI-NHCUHLMSSA-N 0 0 371.525 2.760 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCN2C[C@H](C)OC[C@H]2C)cc1 ZINC001584191417 1079319560 /nfs/dbraw/zinc/31/95/60/1079319560.db2.gz SEJILGNKGROCPF-MSOLQXFVSA-N 0 0 355.482 2.933 20 10 FFCDRN COC(=O)[C@H]1CN(C(=O)/C=C/c2scnc2C)c2ccc(F)cc2O1 ZINC001585159828 1079432913 /nfs/dbraw/zinc/43/29/13/1079432913.db2.gz BPQHMFMLTDUZCK-VBROQKIQSA-N 0 0 362.382 2.571 20 10 FFCDRN C[C@H](c1nccs1)N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001556118510 1075703425 /nfs/dbraw/zinc/70/34/25/1075703425.db2.gz YAPHPMWSEIQQHK-GFCCVEGCSA-N 0 0 372.454 2.825 20 10 FFCDRN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001556157841 1075710127 /nfs/dbraw/zinc/71/01/27/1075710127.db2.gz KTGRZOHOVOZRJR-VIFPVBQESA-N 0 0 359.451 2.723 20 10 FFCDRN COc1cc(C)c([S@](C)=O)cc1OC(=O)c1ccc(C)c(O)c1O ZINC001557111539 1075809419 /nfs/dbraw/zinc/80/94/19/1075809419.db2.gz AXBQMQQBFAGUEQ-DEOSSOPVSA-N 0 0 350.392 2.680 20 10 FFCDRN Cc1cc(C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC001557199347 1075821144 /nfs/dbraw/zinc/82/11/44/1075821144.db2.gz YVSFPTMWMNWHGO-UHFFFAOYSA-N 0 0 372.812 2.879 20 10 FFCDRN CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1O ZINC001557967870 1075918877 /nfs/dbraw/zinc/91/88/77/1075918877.db2.gz NEPSRGDPLSAXIQ-ORAYPTAESA-N 0 0 365.433 2.798 20 10 FFCDRN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCc2c(O)cccc2F)c1 ZINC001558454195 1076009267 /nfs/dbraw/zinc/00/92/67/1076009267.db2.gz BACUUKOEXUKSIZ-QGZVFWFLSA-N 0 0 356.397 2.761 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1c[nH]cc2nc(C(F)(F)F)nc1-2 ZINC001558454242 1076009360 /nfs/dbraw/zinc/00/93/60/1076009360.db2.gz CHGHPOUMYUXPIU-UHFFFAOYSA-N 0 0 354.263 2.751 20 10 FFCDRN COC(=O)[C@@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCCC1 ZINC001558482924 1076013451 /nfs/dbraw/zinc/01/34/51/1076013451.db2.gz LXGWCODKBQLAAJ-SLWQEBJJSA-N 0 0 361.438 2.987 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001558554316 1076031626 /nfs/dbraw/zinc/03/16/26/1076031626.db2.gz PADGKIWCCQXBAQ-QFIPXVFZSA-N 0 0 360.413 2.620 20 10 FFCDRN Cc1cc(C(=O)N2C3CCC2(C(N)=O)CC3)c(C)n1-c1ccc(F)cc1 ZINC001558627254 1076046522 /nfs/dbraw/zinc/04/65/22/1076046522.db2.gz SNFIKTXDAWVNDH-UHFFFAOYSA-N 0 0 355.413 2.856 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H](CO)c2cccc(Br)c2)c1 ZINC001560395861 1076270399 /nfs/dbraw/zinc/27/03/99/1076270399.db2.gz CUPVEABJRRSTEJ-CQSZACIVSA-N 0 0 367.199 2.886 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC001560994361 1076317737 /nfs/dbraw/zinc/31/77/37/1076317737.db2.gz ZNVOQFNNWIATGQ-CQSZACIVSA-N 0 0 366.801 2.656 20 10 FFCDRN C[C@@H](NS(=O)(=O)C[C@H]1CCC[C@H](C(F)(F)F)O1)c1ccccc1O ZINC001561837861 1076431674 /nfs/dbraw/zinc/43/16/74/1076431674.db2.gz FAEYWSWTBPANOG-JTNHKYCSSA-N 0 0 367.389 2.873 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cnc(C)c(C(N)=O)c1 ZINC001563170427 1076525914 /nfs/dbraw/zinc/52/59/14/1076525914.db2.gz LETBXKSTTDFEOQ-CYBMUJFWSA-N 0 0 369.469 2.616 20 10 FFCDRN CC[C@H]1CCN(C(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)[C@@H]1C ZINC001563810558 1076584932 /nfs/dbraw/zinc/58/49/32/1076584932.db2.gz GSXYRYDVXTYFNV-MSOLQXFVSA-N 0 0 374.529 2.647 20 10 FFCDRN Cc1cc(CNC(=O)NC[C@H](O)[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC001565192703 1076695926 /nfs/dbraw/zinc/69/59/26/1076695926.db2.gz DHUWMFPCVQNNOJ-PMACEKPBSA-N 0 0 371.481 2.742 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCN(c2ccc3ccccc3n2)CC1 ZINC001565837103 1076772251 /nfs/dbraw/zinc/77/22/51/1076772251.db2.gz PCLUXYRBAKALCO-UHFFFAOYSA-N 0 0 363.417 2.537 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1c(Cl)nc2cc(Cl)ccn21 ZINC001566358366 1076950773 /nfs/dbraw/zinc/95/07/73/1076950773.db2.gz BBDQWDWFJBFISX-UHFFFAOYSA-N 0 0 352.177 2.982 20 10 FFCDRN CCC[C@@H](O)[C@@H](CO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001570211546 1077191134 /nfs/dbraw/zinc/19/11/34/1077191134.db2.gz ZNSLTSFIJWGJEV-QZTJIDSGSA-N 0 0 364.873 2.999 20 10 FFCDRN Cn1ccnc1SCc1ccc(C(=O)NCc2ccc(O)cc2O)o1 ZINC001570462068 1077207787 /nfs/dbraw/zinc/20/77/87/1077207787.db2.gz CJEMRLKKWWUHKH-UHFFFAOYSA-N 0 0 359.407 2.647 20 10 FFCDRN C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC001570531848 1077213393 /nfs/dbraw/zinc/21/33/93/1077213393.db2.gz QPVOUKZITGQMJA-BUXKBTBVSA-N 0 0 350.374 2.785 20 10 FFCDRN CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001570531285 1077213440 /nfs/dbraw/zinc/21/34/40/1077213440.db2.gz BLBHHLQLSVFOHG-PDGQHHTCSA-N 0 0 361.401 2.734 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(-n4cccc4)nc3)C2)cc1 ZINC001585987322 1079521796 /nfs/dbraw/zinc/52/17/96/1079521796.db2.gz ACRWGZICHHSWAD-KRWDZBQOSA-N 0 0 362.433 2.890 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc2n[nH]nc2cc1F ZINC001587551715 1079813006 /nfs/dbraw/zinc/81/30/06/1079813006.db2.gz AWLUSLOCRHIPGR-UHFFFAOYSA-N 0 0 353.401 2.969 20 10 FFCDRN O=C(c1cc(-c2ccc([N+](=O)[O-])cc2)n[nH]1)N1Cc2cccc(O)c2C1 ZINC001587928776 1079892202 /nfs/dbraw/zinc/89/22/02/1079892202.db2.gz SRLPXRIIWIZYJJ-UHFFFAOYSA-N 0 0 350.334 2.847 20 10 FFCDRN C[C@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001589897842 1080846136 /nfs/dbraw/zinc/84/61/36/1080846136.db2.gz OMVPYIJUSDNOJU-OLZOCXBDSA-N 0 0 351.410 2.628 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589953362 1080900387 /nfs/dbraw/zinc/90/03/87/1080900387.db2.gz FNPXASHEQRHILA-QWHCGFSZSA-N 0 0 368.416 2.641 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589968917 1080910824 /nfs/dbraw/zinc/91/08/24/1080910824.db2.gz HUQXNPNHPNQJTR-GFCCVEGCSA-N 0 0 367.409 2.584 20 10 FFCDRN C[C@@H](Nc1cccc(N2CCCC2=O)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589985548 1080922512 /nfs/dbraw/zinc/92/25/12/1080922512.db2.gz LNTBUXXKBRLWCH-GFCCVEGCSA-N 0 0 364.409 2.872 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2c(c1)OCC(=O)N2 ZINC000071817949 221379842 /nfs/dbraw/zinc/37/98/42/221379842.db2.gz XOKKPQYNPYADSK-UHFFFAOYSA-N 0 0 353.422 2.746 20 10 FFCDRN CCOCCO[C@H](C)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000175843914 510819835 /nfs/dbraw/zinc/81/98/35/510819835.db2.gz CVFPMAHLIIXGTD-GFCCVEGCSA-N 0 0 374.275 2.945 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H]2COc3cc(F)cc(F)c32)c(O)c1 ZINC000369133635 512243638 /nfs/dbraw/zinc/24/36/38/512243638.db2.gz FSIWZPLDSJEIBT-CYBMUJFWSA-N 0 0 350.321 2.612 20 10 FFCDRN COc1ccc(N2CCCN(c3nnnn3-c3ccc(C)cc3)CC2)cc1 ZINC000054123845 506495734 /nfs/dbraw/zinc/49/57/34/506495734.db2.gz SSLREAOBHLWFQY-UHFFFAOYSA-N 0 0 364.453 2.696 20 10 FFCDRN CCOc1cc(C#N)ccc1OCC(=O)NCc1ccc(N(C)C)cc1 ZINC000007098587 506533713 /nfs/dbraw/zinc/53/37/13/506533713.db2.gz ZQZVMSAGBMURKT-UHFFFAOYSA-N 0 0 353.422 2.718 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCc2ccccc2C1 ZINC000054786334 506622681 /nfs/dbraw/zinc/62/26/81/506622681.db2.gz KYWDIVSIKISFDY-UHFFFAOYSA-N 0 0 351.450 2.791 20 10 FFCDRN NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000042903898 506678943 /nfs/dbraw/zinc/67/89/43/506678943.db2.gz VZRGOYCJMYXXDS-KRWDZBQOSA-N 0 0 369.421 2.704 20 10 FFCDRN O=C(NCCc1ccccn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000042964698 506683583 /nfs/dbraw/zinc/68/35/83/506683583.db2.gz LYUYZWPFJSEYCL-SFHVURJKSA-N 0 0 355.438 2.721 20 10 FFCDRN CCc1nc(CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)cs1 ZINC000055318876 506726948 /nfs/dbraw/zinc/72/69/48/506726948.db2.gz PWMQNKOOVLCOKM-UHFFFAOYSA-N 0 0 359.495 2.996 20 10 FFCDRN CN(C)C(=O)c1ccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000045461992 506971613 /nfs/dbraw/zinc/97/16/13/506971613.db2.gz KIEIDMVOJFFGCR-UHFFFAOYSA-N 0 0 368.481 2.796 20 10 FFCDRN COCc1nc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cs1 ZINC000068427075 507227081 /nfs/dbraw/zinc/22/70/81/507227081.db2.gz UQHSVVNHJZPRLQ-UHFFFAOYSA-N 0 0 361.467 2.651 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nncn1C ZINC000046963657 507235257 /nfs/dbraw/zinc/23/52/57/507235257.db2.gz CPSQDJOMKDNIMZ-OAHLLOKOSA-N 0 0 356.474 2.708 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc1F ZINC000058734179 507458943 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FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(CN2CCCC2=O)cc1 ZINC000268599282 510029597 /nfs/dbraw/zinc/02/95/97/510029597.db2.gz QARPPUKXOSYQLA-UHFFFAOYSA-N 0 0 369.421 2.584 20 10 FFCDRN COc1ccc(N2CCC[N@H+](CCOc3ccccc3C(=O)[O-])CC2)cc1 ZINC000183933224 510044226 /nfs/dbraw/zinc/04/42/26/510044226.db2.gz XLOQBCNVVWLCPR-UHFFFAOYSA-N 0 0 370.449 2.985 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000180744844 510086953 /nfs/dbraw/zinc/08/69/53/510086953.db2.gz FYAPDYKSBUKDOD-OBNPVOHOSA-N 0 0 361.344 2.989 20 10 FFCDRN O=Cc1ccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]1 ZINC000177497119 510096284 /nfs/dbraw/zinc/09/62/84/510096284.db2.gz GHRAVJFRVINSPZ-LBPRGKRZSA-N 0 0 363.364 2.827 20 10 FFCDRN COc1ccc(N(C)Cc2cnc(N3CCN(C)CC3)nc2)cc1Cl ZINC000180770436 510100065 /nfs/dbraw/zinc/10/00/65/510100065.db2.gz GNGSVYJLGWBEGT-UHFFFAOYSA-N 0 0 361.877 2.527 20 10 FFCDRN O=C(Nc1ccncn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000194097811 510213156 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C[C@@H]1OCC[C@H]1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000184320708 510261080 /nfs/dbraw/zinc/26/10/80/510261080.db2.gz UBYNBYNKTDJSSB-MAUKXSAKSA-N 0 0 352.500 2.616 20 10 FFCDRN C[C@H](COCC(F)(F)F)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265926733 510304829 /nfs/dbraw/zinc/30/48/29/510304829.db2.gz NSGBGHJCYAJFCE-CYBMUJFWSA-N 0 0 357.376 2.829 20 10 FFCDRN C[C@@H](O)c1ccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000177955114 510344015 /nfs/dbraw/zinc/34/40/15/510344015.db2.gz CSILZLUUZHPVCM-SCBHQAGPSA-N 0 0 366.461 2.906 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1O ZINC000269469019 510421722 /nfs/dbraw/zinc/42/17/22/510421722.db2.gz IRGPWDICDUWCMF-CQSZACIVSA-N 0 0 366.483 2.645 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CSCC(N)=O ZINC000181582443 510483339 /nfs/dbraw/zinc/48/33/39/510483339.db2.gz AJHHEEFGEBNBEL-CQSZACIVSA-N 0 0 358.463 2.701 20 10 FFCDRN CC[C@@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(OC)c1O ZINC000269645014 510497159 /nfs/dbraw/zinc/49/71/59/510497159.db2.gz 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CCCOc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276075220 510925815 /nfs/dbraw/zinc/92/58/15/510925815.db2.gz LUDLTHIDMRDONA-ZDUSSCGKSA-N 0 0 372.421 2.573 20 10 FFCDRN C[C@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000297394551 510928417 /nfs/dbraw/zinc/92/84/17/510928417.db2.gz SBAZCISBBJYAGX-HIFPTAJRSA-N 0 0 356.444 2.554 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CCCC3(C)C)cc2)CC1 ZINC000276125459 510929090 /nfs/dbraw/zinc/92/90/90/510929090.db2.gz HQKNLFQCWFJKIA-IBGZPJMESA-N 0 0 357.498 2.798 20 10 FFCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cnn1 ZINC000276205017 510930997 /nfs/dbraw/zinc/93/09/97/510930997.db2.gz KIAXDLPJXSCOFD-IBGZPJMESA-N 0 0 354.454 2.672 20 10 FFCDRN COc1ccc(C(=O)C2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC000276576250 510942987 /nfs/dbraw/zinc/94/29/87/510942987.db2.gz LOXWROIWIIEPDA-UHFFFAOYSA-N 0 0 373.380 2.981 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2cncn2C)cc1 ZINC000276645603 510944468 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C[C@H]1COCC[C@@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000286690040 511030630 /nfs/dbraw/zinc/03/06/30/511030630.db2.gz CXUKZCUKZBLYDR-WDEREUQCSA-N 0 0 357.248 2.627 20 10 FFCDRN CC[C@@H](COCC(F)(F)F)NC(=O)NCc1cccc(OC)c1O ZINC000297710295 511042468 /nfs/dbraw/zinc/04/24/68/511042468.db2.gz RSULOZLCPMAJHZ-NSHDSACASA-N 0 0 350.337 2.558 20 10 FFCDRN CC(=O)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)ccc1C ZINC000279325607 511044830 /nfs/dbraw/zinc/04/48/30/511044830.db2.gz XUKKZJAHUCWZGF-UHFFFAOYSA-N 0 0 352.434 2.964 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(C(N)=O)c(Cl)n2)cc1 ZINC000287308971 511046771 /nfs/dbraw/zinc/04/67/71/511046771.db2.gz VRIHICHMDQURIU-UHFFFAOYSA-N 0 0 360.845 2.610 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)[C@@H]1CCCCO1 ZINC000287796877 511058107 /nfs/dbraw/zinc/05/81/07/511058107.db2.gz OGXKMVCLBYOEBL-QAPCUYQASA-N 0 0 362.470 2.595 20 10 FFCDRN Cc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000287992364 511061489 /nfs/dbraw/zinc/06/14/89/511061489.db2.gz 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511083041 /nfs/dbraw/zinc/08/30/41/511083041.db2.gz QCPUUCNDNBSBSW-UHFFFAOYSA-N 0 0 371.437 2.666 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCc1ccncc1OC[C@H]1CCOC1 ZINC000288781527 511085917 /nfs/dbraw/zinc/08/59/17/511085917.db2.gz HIJVEQOARRFKAO-HNNXBMFYSA-N 0 0 371.437 2.544 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3n(n2)CCC3)cc1 ZINC000294590527 511113352 /nfs/dbraw/zinc/11/33/52/511113352.db2.gz CDEMKQKPKSHBMF-IBGZPJMESA-N 0 0 368.481 2.717 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1coc2c1C(=O)CCC2 ZINC000294616621 511122129 /nfs/dbraw/zinc/12/21/29/511122129.db2.gz SKVXCQWYZHZMGC-UHFFFAOYSA-N 0 0 354.406 2.565 20 10 FFCDRN COCc1nn(C)cc1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000294641551 511128414 /nfs/dbraw/zinc/12/84/14/511128414.db2.gz OYKRJFUCVYFZBP-UHFFFAOYSA-N 0 0 356.470 2.733 20 10 FFCDRN C[C@@](O)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000294662383 511136006 /nfs/dbraw/zinc/13/60/06/511136006.db2.gz RHVCHDBLFPPYKH-FQEVSTJZSA-N 0 0 374.868 2.701 20 10 FFCDRN COc1ccccc1OCc1nnc(N(C)Cc2ccccc2O)n1C ZINC000290630277 511147739 /nfs/dbraw/zinc/14/77/39/511147739.db2.gz CRWHPGLTZCACRD-UHFFFAOYSA-N 0 0 354.410 2.745 20 10 FFCDRN COC(=O)Cc1occ(C)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000290899988 511152877 /nfs/dbraw/zinc/15/28/77/511152877.db2.gz RLCLGPRTXWTVKX-UHFFFAOYSA-N 0 0 357.406 2.818 20 10 FFCDRN CON(C)C(=O)C1CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000291014370 511156152 /nfs/dbraw/zinc/15/61/52/511156152.db2.gz DMMOSGNGRLPMRQ-UHFFFAOYSA-N 0 0 369.465 2.966 20 10 FFCDRN CCOCc1nc([C@H](C)NC(=O)c2cc(C)n(-c3ccccn3)c2C)no1 ZINC000291323514 511164959 /nfs/dbraw/zinc/16/49/59/511164959.db2.gz VPYOIGBTPPNQAP-ZDUSSCGKSA-N 0 0 369.425 2.900 20 10 FFCDRN C[C@H](c1cccc(NC(=O)c2c(F)ccc(O)c2[O-])c1)N1CCOCC1 ZINC000294757236 511168215 /nfs/dbraw/zinc/16/82/15/511168215.db2.gz AWDBRRIIPHUTJV-GFCCVEGCSA-N 0 0 360.385 2.882 20 10 FFCDRN Cc1nsc(C)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000294866964 511202513 /nfs/dbraw/zinc/20/25/13/511202513.db2.gz 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ZINC000291647669 511280749 /nfs/dbraw/zinc/28/07/49/511280749.db2.gz NJFGXTFMNSVVSF-UHFFFAOYSA-N 0 0 371.403 2.631 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000291645898 511280966 /nfs/dbraw/zinc/28/09/66/511280966.db2.gz UETSBYGAOBJMBN-BEFAXECRSA-N 0 0 358.394 2.565 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccccc1 ZINC000283220673 511283585 /nfs/dbraw/zinc/28/35/85/511283585.db2.gz JUYGLLKLADZHEJ-UHFFFAOYSA-N 0 0 365.477 2.952 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)CN2CCCCC2=O)cc1 ZINC000298493462 511303571 /nfs/dbraw/zinc/30/35/71/511303571.db2.gz JPCWXXMHICBQLO-UHFFFAOYSA-N 0 0 369.465 2.887 20 10 FFCDRN CSc1ccccc1CN(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283348795 511330295 /nfs/dbraw/zinc/33/02/95/511330295.db2.gz DNUZNRAIUIBNAQ-UHFFFAOYSA-N 0 0 371.506 2.749 20 10 FFCDRN O=C(NCc1ccccn1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000283370224 511340449 /nfs/dbraw/zinc/34/04/49/511340449.db2.gz VKCVMXOYUIGTPU-UHFFFAOYSA-N 0 0 367.449 2.765 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)N(C)Cc2ccc(OC)cc2)s1 ZINC000295265528 511342426 /nfs/dbraw/zinc/34/24/26/511342426.db2.gz JAXUGMPIILHFEI-UHFFFAOYSA-N 0 0 366.464 2.689 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 ZINC000298644763 511359459 /nfs/dbraw/zinc/35/94/59/511359459.db2.gz PYYUMJSDKAYZRO-RBUKOAKNSA-N 0 0 371.481 2.550 20 10 FFCDRN Cc1cc(C(=O)N2C[C@]3(CCOC3)OC(C)(C)C2)c(C)n1-c1ccccn1 ZINC000280251785 511393344 /nfs/dbraw/zinc/39/33/44/511393344.db2.gz DRMHUIQXPYUCJH-NRFANRHFSA-N 0 0 369.465 2.899 20 10 FFCDRN COC(=O)c1cnc(SCCC(=O)NCc2ccc(F)cc2)s1 ZINC000295423039 511400282 /nfs/dbraw/zinc/40/02/82/511400282.db2.gz YKFMVRVEMRCLEO-UHFFFAOYSA-N 0 0 354.428 2.867 20 10 FFCDRN COC1CCN(c2ccc(C[N@@H+]3CCO[C@]4(CCCOC4)C3)cc2)CC1 ZINC000295428074 511401544 /nfs/dbraw/zinc/40/15/44/511401544.db2.gz YUXCWOHDSRHFIA-OAQYLSRUSA-N 0 0 360.498 2.683 20 10 FFCDRN CC(C)CS(=O)(=O)CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298771744 511405883 /nfs/dbraw/zinc/40/58/83/511405883.db2.gz 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CC(C)Oc1cccc([C@@H](O)CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000272374988 511492033 /nfs/dbraw/zinc/49/20/33/511492033.db2.gz DXWIOUFXFAISKS-XSBJJCPUSA-N 0 0 357.406 2.748 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(C(=O)NC2CCCCC2)CC1 ZINC000272492086 511496244 /nfs/dbraw/zinc/49/62/44/511496244.db2.gz RTVVXTMKWQQBBA-VQHVLOKHSA-N 0 0 372.465 2.799 20 10 FFCDRN COc1cc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)cc(OC)c1OC ZINC000272810941 511508022 /nfs/dbraw/zinc/50/80/22/511508022.db2.gz NJWPOGXISQQEIJ-NSHDSACASA-N 0 0 361.394 2.923 20 10 FFCDRN CN(C)C(=O)c1cnc(NCc2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000299085565 511509371 /nfs/dbraw/zinc/50/93/71/511509371.db2.gz SXBPSFLQNNTNSH-UHFFFAOYSA-N 0 0 374.872 2.886 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](CO)[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000280562740 511512247 /nfs/dbraw/zinc/51/22/47/511512247.db2.gz VKJKWRLNUZRFJB-QZTJIDSGSA-N 0 0 356.466 2.777 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000273132009 511517407 /nfs/dbraw/zinc/51/74/07/511517407.db2.gz BSMIHCCIQUMRTL-LBPRGKRZSA-N 0 0 369.421 2.743 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273409053 511524823 /nfs/dbraw/zinc/52/48/23/511524823.db2.gz PFARMIDUWDLECL-AWEZNQCLSA-N 0 0 357.410 2.988 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000273483269 511528763 /nfs/dbraw/zinc/52/87/63/511528763.db2.gz MOOQCTJYZYERCG-CYBMUJFWSA-N 0 0 372.421 2.819 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2COc3ccccc3[C@@H]2O)c(C)n1-c1ccccn1 ZINC000365610519 511557633 /nfs/dbraw/zinc/55/76/33/511557633.db2.gz RLSPTVGERCYNHV-XLIONFOSSA-N 0 0 363.417 2.714 20 10 FFCDRN CN(C)C(=O)C[C@@H]1CN(C(=O)C=Cc2c[nH]cn2)c2ccc(Cl)cc21 ZINC000283977113 511562808 /nfs/dbraw/zinc/56/28/08/511562808.db2.gz MMZHGTCNDUORHG-FVOPLDGLSA-N 0 0 358.829 2.685 20 10 FFCDRN CN(C)[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cncn1C ZINC000280690256 511564824 /nfs/dbraw/zinc/56/48/24/511564824.db2.gz DOKNFLMNPQVDGG-FQEVSTJZSA-N 0 0 369.513 2.672 20 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COc1cccc(CNC(=O)Nc2cccc(OCC(F)F)n2)c1O ZINC000274240886 511765352 /nfs/dbraw/zinc/76/53/52/511765352.db2.gz RWHOOTMWZGPVQG-UHFFFAOYSA-N 0 0 353.325 2.761 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(C2CC2)n1 ZINC000292918944 511772178 /nfs/dbraw/zinc/77/21/78/511772178.db2.gz BIOKCIRPNYEFBS-UHFFFAOYSA-N 0 0 364.449 2.814 20 10 FFCDRN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000296572211 511802496 /nfs/dbraw/zinc/80/24/96/511802496.db2.gz DGAQSQKNZBDIGB-CMPLNLGQSA-N 0 0 368.405 2.612 20 10 FFCDRN CN1C[C@H](C(=O)NCc2c(O)ccc3c2CCCC3)c2ccccc2C1=O ZINC000366046191 511806982 /nfs/dbraw/zinc/80/69/82/511806982.db2.gz ZMAJFIISVHUBBR-IBGZPJMESA-N 0 0 364.445 2.757 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000366096689 511837953 /nfs/dbraw/zinc/83/79/53/511837953.db2.gz SICKVLJTMSMAAS-QGZVFWFLSA-N 0 0 352.390 2.686 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)[C@@H]3CCO[C@@H](C)C3)cc2)CC1 ZINC000296660271 511841007 /nfs/dbraw/zinc/84/10/07/511841007.db2.gz JXLPPNYZSVLPRG-QFBILLFUSA-N 0 0 366.527 2.910 20 10 FFCDRN C[C@@H](Cc1ccccc1F)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284811735 511880513 /nfs/dbraw/zinc/88/05/13/511880513.db2.gz XOULXFKAFHLVSF-HNNXBMFYSA-N 0 0 371.456 2.598 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@]2(C)OCCc3sccc32)c1O ZINC000293421602 511958564 /nfs/dbraw/zinc/95/85/64/511958564.db2.gz UAIQTEDWPIGGII-SFHVURJKSA-N 0 0 362.451 2.750 20 10 FFCDRN CNC(=O)[C@@]1(C)CCN(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000281784415 511965173 /nfs/dbraw/zinc/96/51/73/511965173.db2.gz UNJJEPDPJQXFGD-NRFANRHFSA-N 0 0 372.513 2.591 20 10 FFCDRN CCOc1ccc(O)c(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000274908506 511984502 /nfs/dbraw/zinc/98/45/02/511984502.db2.gz JDRURKKLKYKAKJ-INIZCTEOSA-N 0 0 366.458 2.516 20 10 FFCDRN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)NCc2ccccc2O)cc1 ZINC000285154706 512020202 /nfs/dbraw/zinc/02/02/02/512020202.db2.gz YVNMEAHGXTXUFY-ZDUSSCGKSA-N 0 0 362.451 2.746 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000366465401 512038320 /nfs/dbraw/zinc/03/83/20/512038320.db2.gz XGSWXHOSUPSGOS-CQSZACIVSA-N 0 0 359.401 2.618 20 10 FFCDRN CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1=O ZINC000360023054 512063907 /nfs/dbraw/zinc/06/39/07/512063907.db2.gz QVVVKTUVNSFZNF-MGPLVRAMSA-N 0 0 372.252 2.509 20 10 FFCDRN COc1ccc(CNC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c(O)c1 ZINC000373667224 512449891 /nfs/dbraw/zinc/44/98/91/512449891.db2.gz PDWWRNQBEMKGIY-MRXNPFEDSA-N 0 0 374.824 2.724 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)ccc1[N+](=O)[O-] ZINC000375717896 512470013 /nfs/dbraw/zinc/47/00/13/512470013.db2.gz IOCJYTDEMMTQKA-CYBMUJFWSA-N 0 0 373.413 2.684 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@]3(CCCOC3)C2)c(C)n1-c1ccccn1 ZINC000375927030 512573961 /nfs/dbraw/zinc/57/39/61/512573961.db2.gz JWGKCWIXJYGTDA-FQEVSTJZSA-N 0 0 355.438 2.511 20 10 FFCDRN O=S(=O)(CC1CC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000371886699 512618234 /nfs/dbraw/zinc/61/82/34/512618234.db2.gz YGPFMNPRXAGQOH-UHFFFAOYSA-N 0 0 360.426 2.586 20 10 FFCDRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(N)cc2)c(OC)c1 ZINC000372024787 512683966 /nfs/dbraw/zinc/68/39/66/512683966.db2.gz CNBOMQPKNPCBOS-KRWDZBQOSA-N 0 0 369.421 2.529 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@@H]2c2ncon2)c(C)n1-c1ccc(F)cc1 ZINC000378362176 512717841 /nfs/dbraw/zinc/71/78/41/512717841.db2.gz QWCOGBDZRNXBGA-QGZVFWFLSA-N 0 0 370.384 2.830 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000376286982 512750498 /nfs/dbraw/zinc/75/04/98/512750498.db2.gz BXXAQZFCDAYDOW-OALUTQOASA-N 0 0 361.486 2.622 20 10 FFCDRN COC(=O)[C@H]1C[C@@H](OC)CCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000370344258 512886288 /nfs/dbraw/zinc/88/62/88/512886288.db2.gz WCRSAVHRJBBCSO-RBUKOAKNSA-N 0 0 370.449 2.887 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000370500172 512966014 /nfs/dbraw/zinc/96/60/14/512966014.db2.gz QMPZNWJLWKAYJW-OAHLLOKOSA-N 0 0 365.332 2.913 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(OC[C@@H]3CCOC3)CC2)c1[O-] ZINC000374909239 513067132 /nfs/dbraw/zinc/06/71/32/513067132.db2.gz JHSHXQNCWMFQRQ-GFCCVEGCSA-N 0 0 370.833 2.971 20 10 FFCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2C(=O)c1ccoc1CC(N)=O ZINC000422046360 513545492 /nfs/dbraw/zinc/54/54/92/513545492.db2.gz ZVDFLPKRPOCVMB-AWEZNQCLSA-N 0 0 356.422 2.791 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCOC[C@H]1CCCO1 ZINC000471536151 514920199 /nfs/dbraw/zinc/92/01/99/514920199.db2.gz HXRYJYHFUXFYOZ-MRXNPFEDSA-N 0 0 359.470 2.872 20 10 FFCDRN CNC(=O)c1cccc(CNC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000471659697 514974420 /nfs/dbraw/zinc/97/44/20/514974420.db2.gz RRNUEHPEBDUGMF-UHFFFAOYSA-N 0 0 364.449 2.846 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCNC(=O)CC1CCCC1 ZINC000471840820 515028269 /nfs/dbraw/zinc/02/82/69/515028269.db2.gz UTIYZBBWOKLTJV-UHFFFAOYSA-N 0 0 370.497 2.982 20 10 FFCDRN CS[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000503887566 515161116 /nfs/dbraw/zinc/16/11/16/515161116.db2.gz AWLUTAHBHJAFST-LSDHHAIUSA-N 0 0 373.522 2.893 20 10 FFCDRN CC[C@@H]1C(=O)N(CC)CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000472242083 515182330 /nfs/dbraw/zinc/18/23/30/515182330.db2.gz SLQWMPGVSSZVRZ-MRXNPFEDSA-N 0 0 356.470 2.639 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)Cc3cnn(C)c3)ccc21 ZINC000456498970 515222620 /nfs/dbraw/zinc/22/26/20/515222620.db2.gz TUGZKMCDSMXJSF-AWEZNQCLSA-N 0 0 368.481 2.999 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[C@@H]1OC ZINC000460490969 516167200 /nfs/dbraw/zinc/16/72/00/516167200.db2.gz MSMPLLWSVQYFFP-SXLOBPIMSA-N 0 0 374.481 2.827 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[C@H]1OC ZINC000460490942 516167820 /nfs/dbraw/zinc/16/78/20/516167820.db2.gz MSMPLLWSVQYFFP-DFQSSKMNSA-N 0 0 374.481 2.827 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(S(C)(=O)=O)c(C)o1 ZINC000528832991 516738147 /nfs/dbraw/zinc/73/81/47/516738147.db2.gz QERVIMIYAPYEQU-UHFFFAOYSA-N 0 0 351.424 2.750 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000525216811 516966794 /nfs/dbraw/zinc/96/67/94/516966794.db2.gz SHBUCVFGOXQLSG-HNNXBMFYSA-N 0 0 371.481 2.659 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCc1cn2c(n1)SCC2 ZINC000525991710 517279416 /nfs/dbraw/zinc/27/94/16/517279416.db2.gz HXCSCBFWJYILON-UHFFFAOYSA-N 0 0 369.494 2.831 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000526843873 517378504 /nfs/dbraw/zinc/37/85/04/517378504.db2.gz STAAIJPEMGXPIO-CYBMUJFWSA-N 0 0 368.403 2.923 20 10 FFCDRN COc1ccc([C@@H](C2CC2)N2C(=O)CN(Cc3ccccc3O)C2=O)cn1 ZINC000530210022 517631843 /nfs/dbraw/zinc/63/18/43/517631843.db2.gz KGBNRNDOQUNQPF-LJQANCHMSA-N 0 0 367.405 2.711 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@H](COCC2CC2)C1 ZINC000527467758 517695199 /nfs/dbraw/zinc/69/51/99/517695199.db2.gz DNDTYZOWEIDPTF-KRWDZBQOSA-N 0 0 371.481 2.824 20 10 FFCDRN CCCc1cc(=O)n2nc(NCc3c(C)c4ccccc4n3C)sc2n1 ZINC000530429388 517771030 /nfs/dbraw/zinc/77/10/30/517771030.db2.gz NGAZBCHRMDSHLN-UHFFFAOYSA-N 0 0 367.478 2.938 20 10 FFCDRN Cn1nc(-c2ccncc2)cc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC000543084472 517900073 /nfs/dbraw/zinc/90/00/73/517900073.db2.gz ZVEGRXLHMBNEQU-UHFFFAOYSA-N 0 0 350.403 2.953 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCc1cccc(Br)c1O ZINC000528281981 518163239 /nfs/dbraw/zinc/16/32/39/518163239.db2.gz QEZGYASQYLHUEZ-XHSYRHOGSA-N 0 0 357.248 2.766 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)Cc1ccc(F)cc1 ZINC000564002155 518265806 /nfs/dbraw/zinc/26/58/06/518265806.db2.gz CXFDXUHPUYDTQO-UHFFFAOYSA-N 0 0 367.424 2.901 20 10 FFCDRN CCCN1CCN(C(=O)c2ccnc3c2CC(=O)N3)c2cc(F)ccc21 ZINC000615017486 521231233 /nfs/dbraw/zinc/23/12/33/521231233.db2.gz YCPRKUITLPXRRJ-UHFFFAOYSA-N 0 0 354.385 2.592 20 10 FFCDRN Cc1cn(CC(=O)N2CCOc3cc(N(C)C)ccc32)nc1C(F)(F)F ZINC000625916431 521782134 /nfs/dbraw/zinc/78/21/34/521782134.db2.gz VBXXKJVBZPTDRO-UHFFFAOYSA-N 0 0 368.359 2.702 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000738074823 599010166 /nfs/dbraw/zinc/01/01/66/599010166.db2.gz GRYRHTYXJNNNAJ-UHFFFAOYSA-N 0 0 361.456 2.627 20 10 FFCDRN COc1ccc(O)c(CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)c1 ZINC000737109419 599056750 /nfs/dbraw/zinc/05/67/50/599056750.db2.gz QKULVQDEEJOHDP-UHFFFAOYSA-N 0 0 366.303 2.607 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCSC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822169026 599190640 /nfs/dbraw/zinc/19/06/40/599190640.db2.gz WLCIUCOFCXJYOY-CQSZACIVSA-N 0 0 368.466 2.510 20 10 FFCDRN Oc1ccccc1CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000738401508 598324896 /nfs/dbraw/zinc/32/48/96/598324896.db2.gz TYONPKSAXUNCLU-UHFFFAOYSA-N 0 0 360.830 2.712 20 10 FFCDRN CCN(C(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C)C1CC1 ZINC000736506425 598610312 /nfs/dbraw/zinc/61/03/12/598610312.db2.gz YAPHUNIRIOKXNI-UHFFFAOYSA-N 0 0 350.426 2.899 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+]([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000832925815 601096777 /nfs/dbraw/zinc/09/67/77/601096777.db2.gz XSMAIYVJIRWQMR-KRWDZBQOSA-N 0 0 369.465 2.715 20 10 FFCDRN CC(C)(C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC(=O)[O-] ZINC000824006035 603576131 /nfs/dbraw/zinc/57/61/31/603576131.db2.gz SSLMKZNMXSHITQ-UHFFFAOYSA-N 0 0 350.419 2.721 20 10 FFCDRN Cn1ccnc1[C@@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000833759575 604546947 /nfs/dbraw/zinc/54/69/47/604546947.db2.gz DQHCCYMPUNOXNK-CQSZACIVSA-N 0 0 351.406 2.967 20 10 FFCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)s2)SC(=S)N1c1cccnc1 ZINC000823504479 606389928 /nfs/dbraw/zinc/38/99/28/606389928.db2.gz QQIPVWJVWCNTGK-WDZFZDKYSA-N 0 0 372.460 2.729 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccc(-c3nn[nH]n3)s2)C2CC2)cc1 ZINC000821589529 606503352 /nfs/dbraw/zinc/50/33/52/606503352.db2.gz RRUPMYIPZQFXIP-UHFFFAOYSA-N 0 0 368.466 2.799 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(-c3nn[nH]n3)cc2OC)cc1OC ZINC000826168353 608356824 /nfs/dbraw/zinc/35/68/24/608356824.db2.gz KMAGMXBJBGRAFQ-UHFFFAOYSA-N 0 0 355.398 2.529 20 10 FFCDRN COc1ccc(O)c(CNc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)c1 ZINC000826210121 609492984 /nfs/dbraw/zinc/49/29/84/609492984.db2.gz FHGHFLYCZBZHBP-UHFFFAOYSA-N 0 0 355.398 2.980 20 10 FFCDRN Cc1ccnc(NCc2ccc(N3CCSCC3)cc2)c1-c1nn[nH]n1 ZINC000826314440 609536777 /nfs/dbraw/zinc/53/67/77/609536777.db2.gz WRYOOXIKODRULS-UHFFFAOYSA-N 0 0 367.482 2.735 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)[C@@H](CO)SC)c2C)cc1 ZINC000152385540 728757232 /nfs/dbraw/zinc/75/72/32/728757232.db2.gz UAZXSLHZDLJFOT-SCLBCKFNSA-N 0 0 362.495 2.945 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@H](O)c1c(F)cccc1F ZINC000154561573 728806919 /nfs/dbraw/zinc/80/69/19/728806919.db2.gz SNILUCPJVXJTPT-GFCCVEGCSA-N 0 0 373.450 2.936 20 10 FFCDRN C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccc(O)c(O)c1 ZINC000159137454 728901250 /nfs/dbraw/zinc/90/12/50/728901250.db2.gz BSLNYYNOWQSSIW-SNVBAGLBSA-N 0 0 366.211 2.944 20 10 FFCDRN CSCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743521926 735303160 /nfs/dbraw/zinc/30/31/60/735303160.db2.gz SNXDJAFHZJGRSE-GFCCVEGCSA-N 0 0 359.442 2.919 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H]1CCOC12CCOCC2 ZINC000898112291 735315420 /nfs/dbraw/zinc/31/54/20/735315420.db2.gz LYBJJPLXJDUFBP-CYBMUJFWSA-N 0 0 360.223 2.722 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000898115247 735316223 /nfs/dbraw/zinc/31/62/23/735316223.db2.gz DRKKKJWIWLJHNW-AWEZNQCLSA-N 0 0 356.260 2.891 20 10 FFCDRN COC[C@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000743772177 735319181 /nfs/dbraw/zinc/31/91/81/735319181.db2.gz LTOIFSZHIZPTMO-GOSISDBHSA-N 0 0 350.846 2.875 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cncs1 ZINC000898225100 735330375 /nfs/dbraw/zinc/33/03/75/735330375.db2.gz DOOCUIXXMDDRQN-AWEZNQCLSA-N 0 0 360.483 2.882 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]Cc1cnc2n1CCOC2 ZINC000898264341 735334385 /nfs/dbraw/zinc/33/43/85/735334385.db2.gz YIJVIWQTJHPELZ-UHFFFAOYSA-N 0 0 372.650 2.825 20 10 FFCDRN Cc1cc(CC(=O)OCCCNC(N)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000744147673 735334768 /nfs/dbraw/zinc/33/47/68/735334768.db2.gz 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Cc1cc(Cl)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000093907906 728478268 /nfs/dbraw/zinc/47/82/68/728478268.db2.gz IOBFWDXLMHTWEA-UHFFFAOYSA-N 0 0 354.815 2.978 20 10 FFCDRN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1 ZINC000097272233 728482777 /nfs/dbraw/zinc/48/27/77/728482777.db2.gz PSSVGTMEOFXWOW-SNVBAGLBSA-N 0 0 368.842 2.908 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CSCN1C(=O)CC(C)(C)C ZINC000106363371 728510631 /nfs/dbraw/zinc/51/06/31/728510631.db2.gz AUVDWDUQPAHAJH-AWEZNQCLSA-N 0 0 350.484 2.688 20 10 FFCDRN Cc1cc(C)cc([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000107354552 728515568 /nfs/dbraw/zinc/51/55/68/728515568.db2.gz IOQDUGYIQNKRTP-CYBMUJFWSA-N 0 0 362.451 2.872 20 10 FFCDRN CCC[C@H](C)CS(=O)(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000113283376 728553762 /nfs/dbraw/zinc/55/37/62/728553762.db2.gz ADSWITRWJHADQY-HOTGVXAUSA-N 0 0 354.516 2.940 20 10 FFCDRN Cc1ccc(C(=O)NCCCSc2nccs2)cc1S(C)(=O)=O ZINC000114375390 728559886 /nfs/dbraw/zinc/55/98/86/728559886.db2.gz 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NC(=O)c1csc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000173670727 729052294 /nfs/dbraw/zinc/05/22/94/729052294.db2.gz CHXGYNWEUDUSJA-UHFFFAOYSA-N 0 0 356.403 2.988 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC000177673086 729142704 /nfs/dbraw/zinc/14/27/04/729142704.db2.gz AOVWVLUMUWHLEW-UHFFFAOYSA-N 0 0 369.389 2.802 20 10 FFCDRN O=C(NC1CC[NH+](Cc2cccc(Br)c2[O-])CC1)C1CC1 ZINC000179914092 729198681 /nfs/dbraw/zinc/19/86/81/729198681.db2.gz WGHLLJUHPZWQOU-UHFFFAOYSA-N 0 0 353.260 2.645 20 10 FFCDRN CN(CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cc(F)ccc1O ZINC000179995054 729200150 /nfs/dbraw/zinc/20/01/50/729200150.db2.gz SNQSLXWKAQWTMI-UHFFFAOYSA-N 0 0 367.442 2.836 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3cc(C)oc3C)CC2)cc1F ZINC000183291696 729300971 /nfs/dbraw/zinc/30/09/71/729300971.db2.gz SKDZMPQGWDBGJI-UHFFFAOYSA-N 0 0 368.430 2.555 20 10 FFCDRN CCSCCSCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000185598228 729352563 /nfs/dbraw/zinc/35/25/63/729352563.db2.gz GCQMHWJPNFZUOJ-UHFFFAOYSA-N 0 0 354.541 2.830 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCc1nnc(S(C)(=O)=O)s1 ZINC000188265923 729386275 /nfs/dbraw/zinc/38/62/75/729386275.db2.gz VODJSTDYFGYQTB-UHFFFAOYSA-N 0 0 366.493 2.634 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCC[C@@H]1CCO ZINC000190301354 729406902 /nfs/dbraw/zinc/40/69/02/729406902.db2.gz UJIKSRIDVKAUQG-SJLPKXTDSA-N 0 0 363.527 2.590 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000193625248 729484938 /nfs/dbraw/zinc/48/49/38/729484938.db2.gz QCEXFWJXHPLVQY-UHFFFAOYSA-N 0 0 351.815 2.514 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](C)C2CCN(CC(F)(F)F)CC2)c(O)c1O ZINC000194653006 729517320 /nfs/dbraw/zinc/51/73/20/729517320.db2.gz GTDFOZHLSDJLKH-NSHDSACASA-N 0 0 360.376 2.799 20 10 FFCDRN CC[C@@H]1C(=O)N(CC)CCN1Cc1cc(C)cc(Br)c1O ZINC000779215042 738443830 /nfs/dbraw/zinc/44/38/30/738443830.db2.gz GZYYFWIJCVLEIP-CQSZACIVSA-N 0 0 355.276 2.906 20 10 FFCDRN O=C1N[C@@H](CC(F)(F)F)C(=O)N1Cc1ccc(N2CCSCC2)cc1 ZINC000761099134 736695625 /nfs/dbraw/zinc/69/56/25/736695625.db2.gz NIODGBSZUFBFIU-ZDUSSCGKSA-N 0 0 373.400 2.613 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccnc(Cl)c1F ZINC000856212701 730316114 /nfs/dbraw/zinc/31/61/14/730316114.db2.gz SBQWJIBUXNEWEE-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN O=C(NCC[C@H]1CC1(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000856825294 730360759 /nfs/dbraw/zinc/36/07/59/730360759.db2.gz BSJHUPWUNBANQV-ZDUSSCGKSA-N 0 0 357.376 2.507 20 10 FFCDRN Oc1c(F)cccc1CN1CC(O)(c2cccc(Br)c2)C1 ZINC000857069813 730377422 /nfs/dbraw/zinc/37/74/22/730377422.db2.gz UKORLRXEURRYMP-UHFFFAOYSA-N 0 0 352.203 2.997 20 10 FFCDRN CC(C)(C)OC(=O)[C@@H](CNC(=O)c1c(F)ccc(O)c1O)C1CCC1 ZINC000857341867 730392733 /nfs/dbraw/zinc/39/27/33/730392733.db2.gz JJDFVYRCUHODSB-NSHDSACASA-N 0 0 353.390 2.725 20 10 FFCDRN C[C@@H]1CCc2nc(C(=O)NCc3cc(Br)ccc3O)cn2C1 ZINC000857954897 730414636 /nfs/dbraw/zinc/41/46/36/730414636.db2.gz RCZRLGZUPAFNEZ-SNVBAGLBSA-N 0 0 364.243 2.864 20 10 FFCDRN Cc1ncc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1C ZINC000858886746 730435861 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CN(C)c1cc(F)c(CN2CCN(C(=O)NC(C)(C)C)CC2)cc1F ZINC000862329514 730688463 /nfs/dbraw/zinc/68/84/63/730688463.db2.gz ZCCGFDBNTIMMIM-UHFFFAOYSA-N 0 0 354.445 2.657 20 10 FFCDRN O=C1CCC[C@@H]1[C@H]1COCCN1Cc1c(O)cccc1Br ZINC000862337082 730689810 /nfs/dbraw/zinc/68/98/10/730689810.db2.gz QITNBMGLTFYUQA-BXUZGUMPSA-N 0 0 354.244 2.725 20 10 FFCDRN CS(=O)(=O)[C@H]1CCCCN(Cc2c(O)cccc2Br)C1 ZINC000862349198 730690597 /nfs/dbraw/zinc/69/05/97/730690597.db2.gz SGFFBIQEMBIVIO-NSHDSACASA-N 0 0 362.289 2.554 20 10 FFCDRN O=S1(=O)CCN(Cc2c(O)cccc2Br)[C@H](C2CCC2)C1 ZINC000862391500 730696205 /nfs/dbraw/zinc/69/62/05/730696205.db2.gz DTYGTZJSLOFVGW-AWEZNQCLSA-N 0 0 374.300 2.554 20 10 FFCDRN Cc1cc(CC(=O)N2CCC[C@H]2C(N)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000862896591 730734261 /nfs/dbraw/zinc/73/42/61/730734261.db2.gz DTIQOJWXBAGKLI-KRWDZBQOSA-N 0 0 359.857 2.766 20 10 FFCDRN Cc1cc(C(=O)CSCCC(N)=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000863384261 730774526 /nfs/dbraw/zinc/77/45/26/730774526.db2.gz ONKUBNKRODOVGY-UHFFFAOYSA-N 0 0 360.435 2.614 20 10 FFCDRN CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1ccc(O)cc1F ZINC000863407402 730777474 /nfs/dbraw/zinc/77/74/74/730777474.db2.gz QCSTWSNPMZPYRM-AWEZNQCLSA-N 0 0 357.378 2.670 20 10 FFCDRN COc1cccc(CNc2ccc(S(=O)(=O)N3CCCC3)cc2)c1O ZINC000863983729 730818972 /nfs/dbraw/zinc/81/89/72/730818972.db2.gz GTFPAHLCWKOQKB-UHFFFAOYSA-N 0 0 362.451 2.797 20 10 FFCDRN CN(C)c1cc(F)c(C[NH2+][C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1F ZINC000864505790 730853907 /nfs/dbraw/zinc/85/39/07/730853907.db2.gz UBGAWGCAYNMBFZ-MRXNPFEDSA-N 0 0 350.365 2.522 20 10 FFCDRN Brc1cnccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000865427885 730953699 /nfs/dbraw/zinc/95/36/99/730953699.db2.gz LDUDJDFGQAYYGN-UHFFFAOYSA-N 0 0 362.271 2.971 20 10 FFCDRN C[C@@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000865908764 731009925 /nfs/dbraw/zinc/00/99/25/731009925.db2.gz TTZGGVPEUIMTBD-IUODEOHRSA-N 0 0 358.467 2.676 20 10 FFCDRN COC[C@@H](C)Cc1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000650644871 731016774 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FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)c1nccs1 ZINC000900027166 735590385 /nfs/dbraw/zinc/59/03/85/735590385.db2.gz QAVOYZOMIVXGCR-UHFFFAOYSA-N 0 0 359.495 2.916 20 10 FFCDRN Nc1ccc(OCc2cn(C[C@H]3CCC[C@H](C(F)(F)F)O3)nn2)cc1 ZINC000900635076 735672141 /nfs/dbraw/zinc/67/21/41/735672141.db2.gz JPFHKUJJJVWDHT-HUUCEWRRSA-N 0 0 356.348 2.939 20 10 FFCDRN COc1cc(C)ccc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000749731421 735743381 /nfs/dbraw/zinc/74/33/81/735743381.db2.gz OWQDXXWIYYWWJG-UHFFFAOYSA-N 0 0 365.480 2.697 20 10 FFCDRN CCO[C@@H](C)c1noc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)n1 ZINC000750825408 735818223 /nfs/dbraw/zinc/81/82/23/735818223.db2.gz BFZFOFQSTUZDPZ-NSHDSACASA-N 0 0 351.378 2.846 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(OC)c(Cl)c2)c1 ZINC000751415800 735871788 /nfs/dbraw/zinc/87/17/88/735871788.db2.gz YAXHNJQQZXPJLU-UHFFFAOYSA-N 0 0 357.815 2.541 20 10 FFCDRN Cc1ccsc1[C@@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000752996354 736028886 /nfs/dbraw/zinc/02/88/86/736028886.db2.gz 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NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cl)o3)cc2)C1 ZINC000917832463 737778658 /nfs/dbraw/zinc/77/86/58/737778658.db2.gz ALZOITCNRJBTFI-ZDUSSCGKSA-N 0 0 361.829 2.565 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1nc(C)c(C)s1 ZINC000772518561 737820092 /nfs/dbraw/zinc/82/00/92/737820092.db2.gz PXGBNDIHUVDGOE-UHFFFAOYSA-N 0 0 368.842 2.934 20 10 FFCDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000772775760 737842102 /nfs/dbraw/zinc/84/21/02/737842102.db2.gz OFBRFCRCYYTXTH-WXGCRTCVSA-N 0 0 362.769 2.730 20 10 FFCDRN CC(C)Cn1cnc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773084674 737869697 /nfs/dbraw/zinc/86/96/97/737869697.db2.gz RNCXUDLYNDGVNR-AWEZNQCLSA-N 0 0 350.488 2.645 20 10 FFCDRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000773087181 737870087 /nfs/dbraw/zinc/87/00/87/737870087.db2.gz GTNMCUQVRIZKOV-CYBMUJFWSA-N 0 0 364.467 2.809 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1csc(C)n1 ZINC000773338347 737896282 /nfs/dbraw/zinc/89/62/82/737896282.db2.gz 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Cc1cc(Br)c(O)c(CN2CCO[C@@]3(CCCOC3)C2)c1 ZINC000809686830 741331814 /nfs/dbraw/zinc/33/18/14/741331814.db2.gz MMJXDRMJWNJWOE-INIZCTEOSA-N 0 0 356.260 2.845 20 10 FFCDRN COC[C@H](C)CS(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000809806481 741345332 /nfs/dbraw/zinc/34/53/32/741345332.db2.gz OAFVMLDRECHZED-HNNXBMFYSA-N 0 0 364.511 2.839 20 10 FFCDRN COCC[C@@H](COC)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000810257396 741402257 /nfs/dbraw/zinc/40/22/57/741402257.db2.gz PQQOQYWWWPRXOF-ZJUUUORDSA-N 0 0 350.228 2.996 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NC1(C(F)F)CCCC1 ZINC000812012477 741584629 /nfs/dbraw/zinc/58/46/29/741584629.db2.gz ZTQWHDHLLWWSLE-UHFFFAOYSA-N 0 0 353.413 2.900 20 10 FFCDRN C[C@H](NC(=O)NCC1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000813606712 741739478 /nfs/dbraw/zinc/73/94/78/741739478.db2.gz WHHJIWNEOLGSHJ-ZDUSSCGKSA-N 0 0 353.413 2.929 20 10 FFCDRN O=S(=O)(c1ccc(Cl)c2nonc21)N1CCc2ccc(F)cc21 ZINC000814381304 741816200 /nfs/dbraw/zinc/81/62/00/741816200.db2.gz CPWBCIKIVBFOQG-UHFFFAOYSA-N 0 0 353.762 2.767 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCCC[C@@H]3OC)CC2)cc1F ZINC000815773416 741959327 /nfs/dbraw/zinc/95/93/27/741959327.db2.gz NFSCLXUVRKZKEI-RDJZCZTQSA-N 0 0 350.434 2.688 20 10 FFCDRN CCc1ncnc(CC)c1C(=O)NCc1cccc(Br)c1O ZINC000816496395 742034975 /nfs/dbraw/zinc/03/49/75/742034975.db2.gz INVYUAYSXHHUNG-UHFFFAOYSA-N 0 0 364.243 3.000 20 10 FFCDRN C[N@@H+]1CCCC[C@H]1CN1CCN(Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816505442 742036168 /nfs/dbraw/zinc/03/61/68/742036168.db2.gz WTKFGCZYSUCCCK-HNNXBMFYSA-N 0 0 355.885 2.787 20 10 FFCDRN CC[C@H](CS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1)OC ZINC000817133760 742091730 /nfs/dbraw/zinc/09/17/30/742091730.db2.gz WMGGUUYNECQIED-GOSISDBHSA-N 0 0 354.516 2.767 20 10 FFCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3c(Cl)cnn3C)cc12 ZINC000817151964 742097421 /nfs/dbraw/zinc/09/74/21/742097421.db2.gz IIOKBLUUMWBMKC-UHFFFAOYSA-N 0 0 353.831 2.950 20 10 FFCDRN O=C(NCCCC1(O)CCC1)NCc1cccc(Br)c1O ZINC000817174545 742101293 /nfs/dbraw/zinc/10/12/93/742101293.db2.gz IWHWUIXDCJLRBP-UHFFFAOYSA-N 0 0 357.248 2.649 20 10 FFCDRN COCc1cc(O)ccc1NS(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000817352111 742127535 /nfs/dbraw/zinc/12/75/35/742127535.db2.gz CVQFFUFYHAHDQH-KRWDZBQOSA-N 0 0 365.451 2.538 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2C[C@H](C)C[C@H](C(=O)[O-])C2)c1O ZINC000817882134 742220388 /nfs/dbraw/zinc/22/03/88/742220388.db2.gz ZWHOIEDARDIBTB-KOLCDFICSA-N 0 0 358.232 2.706 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)NCc3nc(C4CC4)no3)cs2)cc1 ZINC000817927268 742222242 /nfs/dbraw/zinc/22/22/42/742222242.db2.gz IIXDZRAWZOBKLT-UHFFFAOYSA-N 0 0 355.423 2.507 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]4COCC[C@@H]43)cs2)cc1 ZINC000817961246 742225040 /nfs/dbraw/zinc/22/50/40/742225040.db2.gz ZMZMPPRMDGLSDF-YOEHRIQHSA-N 0 0 357.479 2.957 20 10 FFCDRN CC(C)[C@@H]1CN(C)CCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997704 742227588 /nfs/dbraw/zinc/22/75/88/742227588.db2.gz UYSYZVYAHYSKMR-KRWDZBQOSA-N 0 0 358.511 2.728 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3nc(C)ncc3Cl)C2)cc1 ZINC000819585551 742411095 /nfs/dbraw/zinc/41/10/95/742411095.db2.gz YUEBCPJYBRGRTR-CYBMUJFWSA-N 0 0 360.845 2.703 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)CCn3cc(Cl)cn3)C2)cc1 ZINC000819581974 742411133 /nfs/dbraw/zinc/41/11/33/742411133.db2.gz BMYPFPFTGKXXSJ-AWEZNQCLSA-N 0 0 362.861 2.578 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC[C@@H]2CC2(Cl)Cl)c1 ZINC000820301312 742487004 /nfs/dbraw/zinc/48/70/04/742487004.db2.gz HWGWBJROZQZJKZ-MRVPVSSYSA-N 0 0 368.238 2.504 20 10 FFCDRN C[C@H](N1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1)C(F)(F)F ZINC000820613431 742526517 /nfs/dbraw/zinc/52/65/17/742526517.db2.gz CJNLTUGTKPBYOJ-JTQLQIEISA-N 0 0 357.336 2.558 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3ncc(C)s3)C2)cc1 ZINC000823153003 742840786 /nfs/dbraw/zinc/84/07/86/742840786.db2.gz SDWQPKGLNWBWFB-AWEZNQCLSA-N 0 0 360.483 2.786 20 10 FFCDRN C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000823752421 742973417 /nfs/dbraw/zinc/97/34/17/742973417.db2.gz FKIDNLBCZUSXHX-GFCCVEGCSA-N 0 0 364.423 2.597 20 10 FFCDRN COc1cnc(NC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000824332324 743057833 /nfs/dbraw/zinc/05/78/33/743057833.db2.gz ZOFOFRKXKHLKNR-LBPRGKRZSA-N 0 0 362.455 2.808 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)Cc3csc(C4CC4)n3)C2)cc1 ZINC000824380419 743066940 /nfs/dbraw/zinc/06/69/40/743066940.db2.gz ROHQQKXQPUETMU-CQSZACIVSA-N 0 0 357.479 2.967 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](O)C[C@H]2[C@@H]2CCCOC2)c1 ZINC000824654689 743122935 /nfs/dbraw/zinc/12/29/35/743122935.db2.gz QBDAPLBGNPZKFG-XPKDYRNWSA-N 0 0 370.287 2.825 20 10 FFCDRN Oc1cc(Br)ccc1CN1CC(O)(c2ccc(F)cc2)C1 ZINC000825797847 743329066 /nfs/dbraw/zinc/32/90/66/743329066.db2.gz JTFNHVZYNDMTFF-UHFFFAOYSA-N 0 0 352.203 2.997 20 10 FFCDRN Oc1cc(Br)ccc1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000826097341 743366987 /nfs/dbraw/zinc/36/69/87/743366987.db2.gz YZUSAGYENNRLSL-JOYOIKCWSA-N 0 0 354.166 2.900 20 10 FFCDRN [O-]c1c(F)cccc1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000826510838 743390723 /nfs/dbraw/zinc/39/07/23/743390723.db2.gz NFXHDPVPHNMWFE-UHFFFAOYSA-N 0 0 359.430 2.734 20 10 FFCDRN CN(c1ccc(CNS(=O)(=O)c2ccn(C)n2)cc1)C1CCCCC1 ZINC000827047985 743494864 /nfs/dbraw/zinc/49/48/64/743494864.db2.gz LXOFFWDQFFSTIQ-UHFFFAOYSA-N 0 0 362.499 2.668 20 10 FFCDRN CCOC(=O)CC1([NH2+]Cc2cccc(Br)c2[O-])CCOCC1 ZINC000827758007 744972242 /nfs/dbraw/zinc/97/22/42/744972242.db2.gz URGLFBGNBZIZGX-UHFFFAOYSA-N 0 0 372.259 2.747 20 10 FFCDRN CC(C)[C@@](C)(CNC(=O)C1=CC(=O)CS1)NC(=O)C1=CC(=O)CS1 ZINC000827769414 744974288 /nfs/dbraw/zinc/97/42/88/744974288.db2.gz LCAGTOKGDUCHSM-MRXNPFEDSA-N 0 0 368.480 2.795 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000827826702 744985631 /nfs/dbraw/zinc/98/56/31/744985631.db2.gz KNIGJGSFAMHJIM-KYZUINATSA-N 0 0 351.038 2.530 20 10 FFCDRN Cc1cc(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)ccc1N1CCCCC1 ZINC000827859437 744993099 /nfs/dbraw/zinc/99/30/99/744993099.db2.gz LDWQFNDLHZYZTC-IAGOWNOFSA-N 0 0 350.528 2.993 20 10 FFCDRN COC(=O)c1csc(CN(C)c2cc(OC)c(OC)c(OC)c2)n1 ZINC000827883764 744997058 /nfs/dbraw/zinc/99/70/58/744997058.db2.gz OZIYXVIRCLYFSW-UHFFFAOYSA-N 0 0 352.412 2.592 20 10 FFCDRN C[C@@H](NC(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000827946417 745005777 /nfs/dbraw/zinc/00/57/77/745005777.db2.gz HIAIJEHUYCAOIE-IAQYHMDHSA-N 0 0 352.406 2.774 20 10 FFCDRN CCCc1cc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)no1 ZINC000828519332 745080222 /nfs/dbraw/zinc/08/02/22/745080222.db2.gz LZLMNXJNUALCMC-UHFFFAOYSA-N 0 0 366.801 2.802 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sc(N(C)C)nc1Cl ZINC000828884751 745133027 /nfs/dbraw/zinc/13/30/27/745133027.db2.gz IQTJZSAUVDVACT-MRVPVSSYSA-N 0 0 355.847 2.635 20 10 FFCDRN Cc1cc(CN2CCS(=O)(=O)CC2(C)C)ccc1N1CCCCC1 ZINC000828952674 745144608 /nfs/dbraw/zinc/14/46/08/745144608.db2.gz BTPUYNBVRUPNPN-UHFFFAOYSA-N 0 0 350.528 2.994 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)Nc2nc3c(s2)CCC3)s1 ZINC000829684370 745244438 /nfs/dbraw/zinc/24/44/38/745244438.db2.gz NYYXHMZBFGDJRQ-UHFFFAOYSA-N 0 0 355.466 2.606 20 10 FFCDRN CCOC(=O)c1cc(NS(=O)(=O)CCc2cccs2)ccc1O ZINC000830017973 745294377 /nfs/dbraw/zinc/29/43/77/745294377.db2.gz BMDSLWHVLRSJHT-UHFFFAOYSA-N 0 0 355.437 2.615 20 10 FFCDRN C[C@@H]1CN(C(=O)C2=CC(=O)CS2)[C@@H](C)CN1C(=O)C1=CC(=O)CS1 ZINC000830873504 745443961 /nfs/dbraw/zinc/44/39/61/745443961.db2.gz PEPKVFYNPYQQMS-AOOOYVTPSA-N 0 0 366.464 2.596 20 10 FFCDRN COC1(c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)CCCCC1 ZINC000834810905 745905343 /nfs/dbraw/zinc/90/53/43/745905343.db2.gz KYHVDBKCYXHFTC-UHFFFAOYSA-N 0 0 367.427 2.620 20 10 FFCDRN CC[C@@H](CNS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000834879804 745918146 /nfs/dbraw/zinc/91/81/46/745918146.db2.gz WLFCRYCUXQVLKT-IUCAKERBSA-N 0 0 355.287 2.677 20 10 FFCDRN CO[C@@H]1COCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000834880978 745918154 /nfs/dbraw/zinc/91/81/54/745918154.db2.gz WNIOAXNJOPYRAP-AMJWSMQMSA-N 0 0 362.239 2.996 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2O)C1 ZINC000837120896 746370186 /nfs/dbraw/zinc/37/01/86/746370186.db2.gz GXEQEESVDVRSSX-NEPJUHHUSA-N 0 0 350.415 2.521 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@H](CO)CC1 ZINC000837651242 746492738 /nfs/dbraw/zinc/49/27/38/746492738.db2.gz ITLALOMDDSPLEQ-KRWDZBQOSA-N 0 0 363.527 2.544 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccncc1Cl ZINC000837708230 746503507 /nfs/dbraw/zinc/50/35/07/746503507.db2.gz ROWMOHDFOKZERD-UHFFFAOYSA-N 0 0 367.783 2.780 20 10 FFCDRN CSCC[C@@H](C)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838482271 746647973 /nfs/dbraw/zinc/64/79/73/746647973.db2.gz MBCDSGGZUWHVML-GFCCVEGCSA-N 0 0 373.469 2.742 20 10 FFCDRN CC[C@](C)(CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)OC ZINC000838661805 746688164 /nfs/dbraw/zinc/68/81/64/746688164.db2.gz RJMGSHWWAJIISP-QFBILLFUSA-N 0 0 350.459 2.898 20 10 FFCDRN C[C@@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@H]1C ZINC000838746965 746705499 /nfs/dbraw/zinc/70/54/99/746705499.db2.gz NGKWHWPMMDHDLM-OLZOCXBDSA-N 0 0 353.413 2.741 20 10 FFCDRN CO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)C12CCC2 ZINC000838766276 746709199 /nfs/dbraw/zinc/70/91/99/746709199.db2.gz LOXKCNYYKCBMRU-CHWSQXEVSA-N 0 0 369.259 2.912 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000839193751 746798770 /nfs/dbraw/zinc/79/87/70/746798770.db2.gz XKYSUCDKRWBIKJ-GOEBONIOSA-N 0 0 350.415 2.682 20 10 FFCDRN Cc1ccc(C(=O)N[C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 ZINC000839710185 746900326 /nfs/dbraw/zinc/90/03/26/746900326.db2.gz WLSOCKXGJIXJIN-HNNXBMFYSA-N 0 0 360.845 2.538 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC000839922498 746961528 /nfs/dbraw/zinc/96/15/28/746961528.db2.gz WJFFGLYOJPWLHC-KBPBESRZSA-N 0 0 359.436 2.991 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@H]([C@H](C)O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000839927736 746962127 /nfs/dbraw/zinc/96/21/27/746962127.db2.gz OKGZJMJXGVKWNE-KSSFIOAISA-N 0 0 362.857 2.969 20 10 FFCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1 ZINC000840147865 747019786 /nfs/dbraw/zinc/01/97/86/747019786.db2.gz ZRCKXXNSTRNHAB-GDBMZVCRSA-N 0 0 353.484 2.547 20 10 FFCDRN COC(=O)c1cnc(S[C@H]2CCN(c3ccc(F)cc3)C2=O)s1 ZINC000840209856 747038562 /nfs/dbraw/zinc/03/85/62/747038562.db2.gz FNEXAKQYVOYDKL-NSHDSACASA-N 0 0 352.412 2.966 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H](CCOC(=O)c2cccc(O)c2O)C1 ZINC000840459967 747099049 /nfs/dbraw/zinc/09/90/49/747099049.db2.gz JHSPTTZPUVHKLY-LBPRGKRZSA-N 0 0 351.399 2.902 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3csnn3)CC2)cc1 ZINC000840459339 747099090 /nfs/dbraw/zinc/09/90/90/747099090.db2.gz SMLSVMRCKMZDBX-ZDUSSCGKSA-N 0 0 361.471 2.530 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCSC[C@@H]1CCO ZINC000840482171 747104234 /nfs/dbraw/zinc/10/42/34/747104234.db2.gz UKVZFTBBDFUCGY-QAPCUYQASA-N 0 0 365.543 2.501 20 10 FFCDRN CS(=O)(=O)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)s1 ZINC000840714131 747164594 /nfs/dbraw/zinc/16/45/94/747164594.db2.gz SBDJPKOYOQHKMZ-LUAWRHEFSA-N 0 0 356.494 2.608 20 10 FFCDRN COc1c(O)c([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000840828432 747195335 /nfs/dbraw/zinc/19/53/35/747195335.db2.gz MUPVAXDVJDMIGJ-AWEZNQCLSA-N 0 0 351.403 2.564 20 10 FFCDRN C[C@H]([NH2+]CCCCn1cc(C(N)=O)nn1)c1cc(Cl)c(Cl)cc1[O-] ZINC000840896984 747217734 /nfs/dbraw/zinc/21/77/34/747217734.db2.gz PIJCIMSGQVUUDI-VIFPVBQESA-N 0 0 372.256 2.520 20 10 FFCDRN CCOC(=O)C1([S@@](C)=O)CCN(Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840949975 747239200 /nfs/dbraw/zinc/23/92/00/747239200.db2.gz DNTALATWLFWEHJ-XMMPIXPASA-N 0 0 373.902 2.630 20 10 FFCDRN O=S1(=O)CCN(Cc2cc(Br)ccc2O)[C@H](C2CCC2)C1 ZINC000840956238 747242411 /nfs/dbraw/zinc/24/24/11/747242411.db2.gz MKDVFOWLBOIMEY-AWEZNQCLSA-N 0 0 374.300 2.554 20 10 FFCDRN COc1c(O)c(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000840997730 747253192 /nfs/dbraw/zinc/25/31/92/747253192.db2.gz HXUYOTRDDCLSEE-OSMZGAPFSA-N 0 0 350.371 2.527 20 10 FFCDRN C[C@@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)[C@H](C)S(C)(=O)=O ZINC000841402713 747338893 /nfs/dbraw/zinc/33/88/93/747338893.db2.gz GMNJVEULLGMBJE-KGLIPLIRSA-N 0 0 365.451 2.583 20 10 FFCDRN Nc1ccc(CCNC(=O)NCCc2nc(C(F)(F)F)cs2)cc1 ZINC000841844886 747474976 /nfs/dbraw/zinc/47/49/76/747474976.db2.gz AEAUNSAWAOYCHA-UHFFFAOYSA-N 0 0 358.389 2.829 20 10 FFCDRN C[C@@H](c1ccsc1)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841960618 747492981 /nfs/dbraw/zinc/49/29/81/747492981.db2.gz UOFAEHPLWZVTCG-HNNXBMFYSA-N 0 0 358.511 2.961 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000841963339 747493468 /nfs/dbraw/zinc/49/34/68/747493468.db2.gz YWIQXERSTGKHLO-UHFFFAOYSA-N 0 0 358.873 2.997 20 10 FFCDRN CC[C@@H](CSCC(=O)N1CCN(c2ccc(OC)cc2)CC1)OC ZINC000842197518 747544223 /nfs/dbraw/zinc/54/42/23/747544223.db2.gz SZMAIYCNUQCTJF-INIZCTEOSA-N 0 0 352.500 2.502 20 10 FFCDRN CC[C@@H](CO)NC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843763194 747890492 /nfs/dbraw/zinc/89/04/92/747890492.db2.gz IHRQGLVOZPBEBQ-ZDUSSCGKSA-N 0 0 366.259 2.752 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H](OC)C(F)(F)F)C2)cc1 ZINC000844603145 748058950 /nfs/dbraw/zinc/05/89/50/748058950.db2.gz TUHVTJRELMTQGV-IUODEOHRSA-N 0 0 360.376 2.605 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2sc3nccn3c2C)cc1 ZINC000844855099 748117687 /nfs/dbraw/zinc/11/76/87/748117687.db2.gz PLVBDQHVKBIXMF-UHFFFAOYSA-N 0 0 358.467 2.921 20 10 FFCDRN COCCOc1ccc(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000845999153 748380016 /nfs/dbraw/zinc/38/00/16/748380016.db2.gz UJMYPYDJVJXYFO-UHFFFAOYSA-N 0 0 371.842 2.549 20 10 FFCDRN CCOc1ccc(O)c(CN[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c1 ZINC000846110677 748408950 /nfs/dbraw/zinc/40/89/50/748408950.db2.gz YYDRUPKGZVVXEZ-JOQOYGCGSA-N 0 0 351.443 2.627 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000846250684 748441143 /nfs/dbraw/zinc/44/11/43/748441143.db2.gz QJXWJNNWSKSOIP-ROUUACIJSA-N 0 0 370.852 2.952 20 10 FFCDRN CCC(CC)[C@@H](C(=O)NCc1cc(Cl)ccc1O)N1CCOCC1 ZINC000846475773 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C[C@@H](CN1CCCC1=O)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000064955496 963329952 /nfs/dbraw/zinc/32/99/52/963329952.db2.gz JHWPGDXUUCNCQL-HNNXBMFYSA-N 0 0 371.437 2.708 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccnc1OCC(F)(F)F ZINC000588404235 963574001 /nfs/dbraw/zinc/57/40/01/963574001.db2.gz CTSIIDLYUDLJSR-XQRVVYSFSA-N 0 0 368.311 2.764 20 10 FFCDRN CCOCCN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1[O-] ZINC001276085438 1013431640 /nfs/dbraw/zinc/43/16/40/1013431640.db2.gz JDLLDQJWSBBSLB-IBGZPJMESA-N 0 0 350.434 2.525 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000588406954 963635510 /nfs/dbraw/zinc/63/55/10/963635510.db2.gz ACTRDQYCVIUFGE-HTUWBFOXSA-N 0 0 372.808 2.686 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCCN2C(=O)c2ccco2)c1 ZINC000157820479 963685333 /nfs/dbraw/zinc/68/53/33/963685333.db2.gz GBXWAGUANQSTOO-CJNGLKHVSA-N 0 0 372.421 2.866 20 10 FFCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@@H]1CC[S@](=O)C1 ZINC000785064071 964192714 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C=C(F)C(=O)N1CCCC[C@]12CC(=O)N(Cc1ccc(N(C)C)cc1)C2 ZINC001270581035 965259607 /nfs/dbraw/zinc/25/96/07/965259607.db2.gz IOHUGEWGHNTRRO-HXUWFJFHSA-N 0 0 359.445 2.719 20 10 FFCDRN C/C(=C\C(C)(C)C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894594153 965507415 /nfs/dbraw/zinc/50/74/15/965507415.db2.gz FSCMRZIEIBHLQK-FYWRMAATSA-N 0 0 357.498 2.997 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(N(C)C)c(F)c2)cc1 ZINC000873677314 1013585683 /nfs/dbraw/zinc/58/56/83/1013585683.db2.gz FJESKUVCGGZAMK-UHFFFAOYSA-N 0 0 372.444 2.555 20 10 FFCDRN CC(=O)N1CC=C(Nc2ccc(O)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001176037700 1013615964 /nfs/dbraw/zinc/61/59/64/1013615964.db2.gz ZEAOAIMFOCPIFE-UHFFFAOYSA-N 0 0 362.385 2.716 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000892135352 966051149 /nfs/dbraw/zinc/05/11/49/966051149.db2.gz PVYRNXMADFOBBH-DFQSSKMNSA-N 0 0 357.498 2.883 20 10 FFCDRN COC(=O)[C@H]1c2ccccc2CCN1Cc1ccc(OC)c(OC)c1O ZINC000892142461 966063782 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CC1(C)CCCN(c2ccnc(NCCc3cc(O)c(O)cc3O)n2)C1 ZINC001168010256 967799753 /nfs/dbraw/zinc/79/97/53/967799753.db2.gz UJLIMEFSDIXXOB-UHFFFAOYSA-N 0 0 358.442 2.874 20 10 FFCDRN CC(C)(C)OC(=O)NCC(C)(C)CC(=O)NCc1cc(O)ccc1O ZINC001176754757 1013774401 /nfs/dbraw/zinc/77/44/01/1013774401.db2.gz GRCGVCQHCNHZMP-UHFFFAOYSA-N 0 0 352.431 2.655 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCN(CCc3cccs3)CC2)cc1 ZINC000874161908 1013778836 /nfs/dbraw/zinc/77/88/36/1013778836.db2.gz NLYWXCFIVVEOKF-UHFFFAOYSA-N 0 0 371.466 2.911 20 10 FFCDRN COc1ccc2c(c1)ncc(C(=O)N[C@@H](C)c1cc(OC)ccc1O)c2O ZINC000729536372 968247255 /nfs/dbraw/zinc/24/72/55/968247255.db2.gz ZYKIHUUCGVHXTP-NSHDSACASA-N 0 0 368.389 2.742 20 10 FFCDRN C[C@@H](NC(=O)C(=O)Nc1ccccc1N1CCCC1)c1ccccc1O ZINC000874190745 1013783703 /nfs/dbraw/zinc/78/37/03/1013783703.db2.gz IOKSZYYWYZXJFV-CQSZACIVSA-N 0 0 353.422 2.808 20 10 FFCDRN COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(N(C)C)cc1 ZINC001176859260 1013788008 /nfs/dbraw/zinc/78/80/08/1013788008.db2.gz 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ZINC000897093555 973249391 /nfs/dbraw/zinc/24/93/91/973249391.db2.gz ABMMIZNPXZJLEF-UHFFFAOYSA-N 0 0 355.394 2.926 20 10 FFCDRN COc1cc(N(C)Cc2cnn(-c3ccccc3)n2)cc(OC)c1OC ZINC000125749787 1014123541 /nfs/dbraw/zinc/12/35/41/1014123541.db2.gz WEYQXKBVSCOENE-UHFFFAOYSA-N 0 0 354.410 2.930 20 10 FFCDRN COCCOC[C@H](C)NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC000649770710 1014212978 /nfs/dbraw/zinc/21/29/78/1014212978.db2.gz QNYOPKAKRUWSDW-HNNXBMFYSA-N 0 0 374.481 2.696 20 10 FFCDRN CC(C)Oc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000785298052 974793519 /nfs/dbraw/zinc/79/35/19/974793519.db2.gz UYFMPBWYNBWBCV-CYBMUJFWSA-N 0 0 372.421 2.571 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCCC[C@@H]2CCOC2=O)C2CC2)cc1 ZINC000876362653 1014240348 /nfs/dbraw/zinc/24/03/48/1014240348.db2.gz HEBOVERPORQWOU-MRXNPFEDSA-N 0 0 359.470 2.770 20 10 FFCDRN CCc1ccc(N2C[C@@H](C(=O)NCc3cccc(OC)c3O)CC2=O)cc1 ZINC000729859547 975497787 /nfs/dbraw/zinc/49/77/87/975497787.db2.gz SKYBDFHJFKLOBG-INIZCTEOSA-N 0 0 368.433 2.633 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)c2ccn(C)n2)CCCC1 ZINC000649935837 1014305606 /nfs/dbraw/zinc/30/56/06/1014305606.db2.gz SPBXLMILFSZJNT-UHFFFAOYSA-N 0 0 352.438 2.925 20 10 FFCDRN CC(C)N(Cc1cn(C[C@H]2CCOC2)nn1)Cc1ccc(N(C)C)cc1 ZINC000876585083 1014312801 /nfs/dbraw/zinc/31/28/01/1014312801.db2.gz YRMMKSWWRTUXKD-GOSISDBHSA-N 0 0 357.502 2.791 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCc2cn(C)cn2)cc1 ZINC000898632748 976589842 /nfs/dbraw/zinc/58/98/42/976589842.db2.gz GJNATORMAXUKKI-UHFFFAOYSA-N 0 0 367.453 2.991 20 10 FFCDRN Cc1cc(C(=O)NCCCc2c[nH][nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC000898729164 976648222 /nfs/dbraw/zinc/64/82/22/976648222.db2.gz FAKAVUXNEPKGDX-MRXNPFEDSA-N 0 0 352.438 2.644 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCCN(C)C(=O)OC(C)(C)C)cc1 ZINC000042115876 976797185 /nfs/dbraw/zinc/79/71/85/976797185.db2.gz YNXTVMRRPVLDSE-UHFFFAOYSA-N 0 0 364.490 2.809 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1cnc2n1CCOC2 ZINC000898948808 976801936 /nfs/dbraw/zinc/80/19/36/976801936.db2.gz 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2.754 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1COc2ccccc2C1 ZINC000819693265 1008207440 /nfs/dbraw/zinc/20/74/40/1008207440.db2.gz MPGJVFZTLIOPJC-KRWDZBQOSA-N 0 0 369.417 2.535 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1ccc(C)c(OC)c1 ZINC000819693253 1008207615 /nfs/dbraw/zinc/20/76/15/1008207615.db2.gz MBUPADNYYJNXDS-UHFFFAOYSA-N 0 0 371.433 2.844 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1ccc(OC)cc1 ZINC000819694338 1008207717 /nfs/dbraw/zinc/20/77/17/1008207717.db2.gz GTVRWVMKKXPVJX-UHFFFAOYSA-N 0 0 357.406 2.535 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(N(C)C)c(F)c1 ZINC000819696040 1008208162 /nfs/dbraw/zinc/20/81/62/1008208162.db2.gz JADJFMOAWOMNEM-UHFFFAOYSA-N 0 0 374.412 2.803 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(N(C)C)cc1F ZINC000819697616 1008208372 /nfs/dbraw/zinc/20/83/72/1008208372.db2.gz XSVYTHXABGPNGL-UHFFFAOYSA-N 0 0 374.412 2.803 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/C1(C)CCOCC1 ZINC000819700244 1008210754 /nfs/dbraw/zinc/21/07/54/1008210754.db2.gz VHEGJGATKDURNN-CMDGGOBGSA-N 0 0 361.438 2.657 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(C)[C@@H]2CCN(c3ccccc3)C2=O)cc1 ZINC000115632351 1008215677 /nfs/dbraw/zinc/21/56/77/1008215677.db2.gz LTMUJCPTTUOPIB-LJQANCHMSA-N 0 0 366.465 2.700 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N(CC1CC1)CC1CC1 ZINC000115663856 1008223047 /nfs/dbraw/zinc/22/30/47/1008223047.db2.gz LEAYENMBEFXTTR-UHFFFAOYSA-N 0 0 361.461 2.994 20 10 FFCDRN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000857849855 1008225012 /nfs/dbraw/zinc/22/50/12/1008225012.db2.gz PHMBBGKLHBOBQM-KSSFIOAISA-N 0 0 370.522 2.945 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnn(C2CCOCC2)c1C ZINC000819761656 1008232193 /nfs/dbraw/zinc/23/21/93/1008232193.db2.gz YMXHEVDKGIYIOJ-UHFFFAOYSA-N 0 0 364.442 2.664 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1CCc2cccnc21 ZINC000819844017 1008238322 /nfs/dbraw/zinc/23/83/22/1008238322.db2.gz OXKNEDJFGDAYMS-HXUWFJFHSA-N 0 0 365.477 2.637 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc4nc[nH]c4cc3F)CC2)cc1F ZINC000819893642 1008244247 /nfs/dbraw/zinc/24/42/47/1008244247.db2.gz XLOATHBQKXHOAA-UHFFFAOYSA-N 0 0 372.375 2.812 20 10 FFCDRN COc1ccc(N2CC[C@H](CNc3ccc(-n4ccc(C)n4)nn3)C2)cc1 ZINC000819936277 1008259843 /nfs/dbraw/zinc/25/98/43/1008259843.db2.gz QZUUVUSXRTWXNX-MRXNPFEDSA-N 0 0 364.453 2.918 20 10 FFCDRN CCc1cc(NC[C@H]2CCN(c3ccc(OC)cc3)C2)n2ncnc2n1 ZINC000819935185 1008260034 /nfs/dbraw/zinc/26/00/34/1008260034.db2.gz LCGYZDRFDWPCDQ-CQSZACIVSA-N 0 0 352.442 2.634 20 10 FFCDRN Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001136282595 1008260996 /nfs/dbraw/zinc/26/09/96/1008260996.db2.gz PZKJLVSVLHHKHM-UHFFFAOYSA-N 0 0 372.450 2.660 20 10 FFCDRN Cc1cc(CCNC(=O)[C@@H]2CCCc3nn[nH]c32)c(C)n1-c1ccccc1 ZINC000820005980 1008263658 /nfs/dbraw/zinc/26/36/58/1008263658.db2.gz YILQLICEVFTNSY-GOSISDBHSA-N 0 0 363.465 2.991 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CCn3cncc32)CCCC1 ZINC000857975965 1008267011 /nfs/dbraw/zinc/26/70/11/1008267011.db2.gz UGXAQLMZUAWPFZ-KRWDZBQOSA-N 0 0 364.449 2.986 20 10 FFCDRN O=C(NCCOC[C@H]1CCCO1)N(Cc1ccco1)Cc1ccccc1O ZINC000115845830 1008301156 /nfs/dbraw/zinc/30/11/56/1008301156.db2.gz IHVGNEOSNDAECJ-GOSISDBHSA-N 0 0 374.437 2.893 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc2cnccc21 ZINC000115894551 1008310212 /nfs/dbraw/zinc/31/02/12/1008310212.db2.gz NETGQQHVAJRPMY-UHFFFAOYSA-N 0 0 362.433 2.864 20 10 FFCDRN CN(C)c1ccc(/C=C\CNC(c2nccn2C)c2nccn2C)cc1 ZINC000858224097 1008328444 /nfs/dbraw/zinc/32/84/44/1008328444.db2.gz VURNMJCHCLUYKA-WAYWQWQTSA-N 0 0 350.470 2.612 20 10 FFCDRN Cc1ccc(CN2CC[C@@H](NC(=O)NCc3cc(C)ccc3O)C2=O)cc1 ZINC000858390183 1008354256 /nfs/dbraw/zinc/35/42/56/1008354256.db2.gz BNKINZQRVOFSJV-GOSISDBHSA-N 0 0 367.449 2.609 20 10 FFCDRN CCCCN(CC(N)=O)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000858465148 1008365271 /nfs/dbraw/zinc/36/52/71/1008365271.db2.gz BLAJIWPFODWEJX-UHFFFAOYSA-N 0 0 369.465 2.563 20 10 FFCDRN 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FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2([C@H]3CCCCO3)CCOCC2)c1 ZINC000821065504 1008411575 /nfs/dbraw/zinc/41/15/75/1008411575.db2.gz OKMMZVAZKSYXGB-RDTXWAMCSA-N 0 0 363.454 2.944 20 10 FFCDRN CCOC(=O)C1=CC[C@@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000858789106 1008424400 /nfs/dbraw/zinc/42/44/00/1008424400.db2.gz KMJHEWIKRUENPI-OAHLLOKOSA-N 0 0 358.438 2.722 20 10 FFCDRN Cc1cc(CNC(=O)N(C)C[C@H]2COCCO2)c(C)n1-c1ccccc1 ZINC000858906044 1008447473 /nfs/dbraw/zinc/44/74/73/1008447473.db2.gz HCDJUSNKLVHIRZ-IBGZPJMESA-N 0 0 357.454 2.651 20 10 FFCDRN Cc1cc(CNC(=O)N2CC[C@@](C)(C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000858906504 1008448173 /nfs/dbraw/zinc/44/81/73/1008448173.db2.gz UUOBAATWIAAXAU-HXUWFJFHSA-N 0 0 354.454 2.501 20 10 FFCDRN CC[C@@](C)(NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(=O)OC ZINC000858970431 1008457381 /nfs/dbraw/zinc/45/73/81/1008457381.db2.gz MSUUFPMFCXJVQV-HXUWFJFHSA-N 0 0 356.422 2.978 20 10 FFCDRN COC(=O)[C@@H](C)CNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC000859082585 1008473934 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CCN(CC)c1ccc(CNC(=O)c2cncc(OCCOC)c2)cc1 ZINC000800848608 1020590012 /nfs/dbraw/zinc/59/00/12/1020590012.db2.gz SLKMQIRXFHVMFO-UHFFFAOYSA-N 0 0 357.454 2.883 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000900749744 1020629254 /nfs/dbraw/zinc/62/92/54/1020629254.db2.gz BNXLDFOEZBBVIF-QMMMGPOBSA-N 0 0 371.290 2.675 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@H](C3OCCO3)C2)c(C)n1-c1ccc(F)cn1 ZINC000932000954 1020660433 /nfs/dbraw/zinc/66/04/33/1020660433.db2.gz VAAOJWIULDTTMZ-HNNXBMFYSA-N 0 0 373.428 2.506 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CCC[C@@H](Cc3nccs3)C2)cc1 ZINC000932199606 1020740177 /nfs/dbraw/zinc/74/01/77/1020740177.db2.gz ZESJJKMBNKJCPY-KRWDZBQOSA-N 0 0 372.538 2.780 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccnc3cc(C)nn32)cc1 ZINC000932453700 1020807509 /nfs/dbraw/zinc/80/75/09/1020807509.db2.gz FOUIAZWRPKPHNK-UHFFFAOYSA-N 0 0 368.441 2.646 20 10 FFCDRN C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O ZINC001217986275 1032935426 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O=C(NCc1ccc(N2CCCCC2)cc1)c1cc2c(cn1)nc[nH]c2=O ZINC000778607982 1022158422 /nfs/dbraw/zinc/15/84/22/1022158422.db2.gz UPSHSKLUSPLSOD-UHFFFAOYSA-N 0 0 363.421 2.651 20 10 FFCDRN CC(C)OCCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000044090661 1022301146 /nfs/dbraw/zinc/30/11/46/1022301146.db2.gz QAMFEZXYDWGGBA-UHFFFAOYSA-N 0 0 353.374 2.626 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000750662580 1022310510 /nfs/dbraw/zinc/31/05/10/1022310510.db2.gz NHMQDZPGWPRCDK-SZVBFZGTSA-N 0 0 372.513 2.682 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Cn2c(CSC)nc3ccccc32)c1 ZINC000155973055 1022311748 /nfs/dbraw/zinc/31/17/48/1022311748.db2.gz QMSZAGOJAUCJEB-UHFFFAOYSA-N 0 0 371.462 2.930 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCC(=O)N2CCCO2)c1 ZINC001118937169 1022482291 /nfs/dbraw/zinc/48/22/91/1022482291.db2.gz QFDXXURDEHSOHM-UHFFFAOYSA-N 0 0 361.829 2.641 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3CC34CC(OCC)C4)CC2)cc1 ZINC001118995316 1022514478 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FFCDRN Cc1cc(C(=O)CN2CCN(CCO)[C@H](C)C2)c(C)n1-c1ccc(C)cc1 ZINC000187653052 1022916751 /nfs/dbraw/zinc/91/67/51/1022916751.db2.gz UCPSHSROLFUGQQ-GOSISDBHSA-N 0 0 369.509 2.584 20 10 FFCDRN COC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C[C@@H](C)O1 ZINC000188179553 1023032344 /nfs/dbraw/zinc/03/23/44/1023032344.db2.gz VYTITDUGIMYUOB-BEFAXECRSA-N 0 0 372.465 2.979 20 10 FFCDRN CC1(C)CC(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000780321676 1023036263 /nfs/dbraw/zinc/03/62/63/1023036263.db2.gz DQARKLODUNLGJL-KRWDZBQOSA-N 0 0 372.513 2.624 20 10 FFCDRN COC(=O)c1ccc(C)c(NC(=O)CN(C)c2ccc(OC)cc2OC)c1 ZINC000752121315 1023070116 /nfs/dbraw/zinc/07/01/16/1023070116.db2.gz CADLHUWMEZZFPW-UHFFFAOYSA-N 0 0 372.421 2.874 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000188665516 1023118468 /nfs/dbraw/zinc/11/84/68/1023118468.db2.gz SPDIVFFXQOVJIF-GOSISDBHSA-N 0 0 361.486 2.622 20 10 FFCDRN CCC1(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC1 ZINC000752396129 1023136169 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CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCC=CCCC1 ZINC001332081550 1048239604 /nfs/dbraw/zinc/23/96/04/1048239604.db2.gz BZHZCJHKHILJIE-HOTGVXAUSA-N 0 0 361.438 2.825 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N(Cc1ccccc1F)CC1CC1 ZINC001328298562 1048251742 /nfs/dbraw/zinc/25/17/42/1048251742.db2.gz PNUTUQGVFRWIOM-UHFFFAOYSA-N 0 0 370.424 2.929 20 10 FFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1CC[C@](O)(C2CC2)C1 ZINC001332420756 1048387523 /nfs/dbraw/zinc/38/75/23/1048387523.db2.gz KKPNRLAPIMEACL-HXUWFJFHSA-N 0 0 363.421 2.775 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C[C@H](C)C1(F)F ZINC001328701066 1048426759 /nfs/dbraw/zinc/42/67/59/1048426759.db2.gz AZDSRAGMMUQCNN-GJZGRUSLSA-N 0 0 367.440 2.956 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N[C@@H](c1ccccn1)C1CC1)c1ccc(N(C)C)cc1 ZINC001332949008 1048638582 /nfs/dbraw/zinc/63/85/82/1048638582.db2.gz RYRHLISTARJNFU-AUUYWEPGSA-N 0 0 366.465 2.592 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC(C)(C)C(C)(F)F)cc1 ZINC001329331976 1048672119 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C[C@]12CCC(=O)N1[C@H](C(=O)NCc1c(O)ccc3ccccc31)CS2 ZINC001472085949 1064925288 /nfs/dbraw/zinc/92/52/88/1064925288.db2.gz FQHINWIYOWHKRW-KXBFYZLASA-N 0 0 356.447 2.616 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CC[C@H](Oc3ccc(F)cc3)C2)cc1 ZINC001473773585 1065355048 /nfs/dbraw/zinc/35/50/48/1065355048.db2.gz WYQRQHHYAZHFAM-FQEVSTJZSA-N 0 0 371.456 2.661 20 10 FFCDRN COC(=O)N1CCC([NH2+]Cc2cc(C)cc(Br)c2[O-])CC1 ZINC001474127905 1065460392 /nfs/dbraw/zinc/46/03/92/1065460392.db2.gz TVEIACLJIYHXEG-UHFFFAOYSA-N 0 0 357.248 2.784 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)C[C@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001474852495 1065626518 /nfs/dbraw/zinc/62/65/18/1065626518.db2.gz QGBYXFKLXCYAMS-MOPGFXCFSA-N 0 0 366.527 2.910 20 10 FFCDRN CC1CCC(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC001474853561 1065627626 /nfs/dbraw/zinc/62/76/26/1065627626.db2.gz BRQOTENDYSZJQC-UHFFFAOYSA-N 0 0 370.490 2.660 20 10 FFCDRN CN(CC(=O)Nc1cccc(-c2c[nH]nn2)c1)Cc1cc(F)c(F)cc1O ZINC001576788486 1078274626 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O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001580708304 1078850038 /nfs/dbraw/zinc/85/00/38/1078850038.db2.gz MRWWADBPBXOKIP-LBPRGKRZSA-N 0 0 357.159 2.857 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2ccccn2)nc1 ZINC001583335330 1079195292 /nfs/dbraw/zinc/19/52/92/1079195292.db2.gz WXLQFJPVEJUNIB-UHFFFAOYSA-N 0 0 374.444 2.910 20 10 FFCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)NCc1ccccc1 ZINC001583388447 1079206941 /nfs/dbraw/zinc/20/69/41/1079206941.db2.gz HSXIZFVXZVBQPN-LLVKDONJSA-N 0 0 370.430 2.747 20 10 FFCDRN CS(=O)(=O)c1cccc2c1N(C(=O)/C=C/c1cncc(F)c1)CCC2 ZINC001584515465 1079360322 /nfs/dbraw/zinc/36/03/22/1079360322.db2.gz RRPPRDASONTMBZ-BQYQJAHWSA-N 0 0 360.410 2.617 20 10 FFCDRN CC[C@@H]1C(=O)NCCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001585069977 1079421238 /nfs/dbraw/zinc/42/12/38/1079421238.db2.gz OFCIXFQXYJCDDY-LJQANCHMSA-N 0 0 353.466 2.764 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(F)cccc1-n1cccn1 ZINC001556158350 1075710188 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C[C@@H](NC(=O)c1c(F)ccc(O)c1O)c1ccncc1Br ZINC001559029376 1076117734 /nfs/dbraw/zinc/11/77/34/1076117734.db2.gz BAXJNQRDDPVCFY-SSDOTTSWSA-N 0 0 355.163 2.885 20 10 FFCDRN COC(=O)c1cnc(NCc2ccc3cccnc3c2O)c([N+](=O)[O-])c1 ZINC001559216867 1076136089 /nfs/dbraw/zinc/13/60/89/1076136089.db2.gz QQJJPIYGAYEHPX-UHFFFAOYSA-N 0 0 354.322 2.642 20 10 FFCDRN CCC[C@H](C)C(=O)NCC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001560481579 1076275809 /nfs/dbraw/zinc/27/58/09/1076275809.db2.gz NQKVBSHJRQLGDZ-JTQLQIEISA-N 0 0 361.255 2.936 20 10 FFCDRN COC(=O)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)nc1 ZINC001563135791 1076521745 /nfs/dbraw/zinc/52/17/45/1076521745.db2.gz VIKQZAULZLYYTE-UHFFFAOYSA-N 0 0 352.394 2.566 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC[C@H]3CO)cc2Cl)C1 ZINC001564649768 1076651067 /nfs/dbraw/zinc/65/10/67/1076651067.db2.gz MQKCYLQSDWNHEN-HIFRSBDPSA-N 0 0 351.878 2.853 20 10 FFCDRN COc1cccc(CNC(=O)c2ccnc3[nH]c(CC4CC4)nc32)c1O ZINC001566374521 1076953131 /nfs/dbraw/zinc/95/31/31/1076953131.db2.gz LYGMYKHAIIEXLV-UHFFFAOYSA-N 0 0 352.394 2.555 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@H](C)[C@H]2CO)CCCC1 ZINC001567625795 1077040188 /nfs/dbraw/zinc/04/01/88/1077040188.db2.gz DGDZLKKWHSRCKV-VBKZILBWSA-N 0 0 356.466 2.758 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCCc1cccc(Br)c1 ZINC001570169840 1077187399 /nfs/dbraw/zinc/18/73/99/1077187399.db2.gz LTTADYKSDJXZTJ-UHFFFAOYSA-N 0 0 350.212 2.762 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCc3nc(C4CC4)ncc3C2)cc1 ZINC001587349365 1079779254 /nfs/dbraw/zinc/77/92/54/1079779254.db2.gz IKDRKHRJWADMEF-UHFFFAOYSA-N 0 0 350.382 2.715 20 10 FFCDRN C[C@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1ccccc1O ZINC001587451005 1079794628 /nfs/dbraw/zinc/79/46/28/1079794628.db2.gz DVWGUULFQZYNPL-VIFPVBQESA-N 0 0 351.200 2.675 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CC(=O)N(C2CC2)C1 ZINC001587752997 1079857908 /nfs/dbraw/zinc/85/79/08/1079857908.db2.gz SAUSXVNHJJWTTN-INIZCTEOSA-N 0 0 351.450 2.896 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3CCOC[C@@H]3OC)c2C)cc1 ZINC001589194426 1080409181 /nfs/dbraw/zinc/40/91/81/1080409181.db2.gz HCDHFAZVNJJCFH-UXHICEINSA-N 0 0 372.465 2.979 20 10 FFCDRN C[C@H]([NH2+]Cc1cnccc1C(F)(F)F)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589972485 1080913226 /nfs/dbraw/zinc/91/32/26/1080913226.db2.gz GORYQBKDPXRXPV-VIFPVBQESA-N 0 0 364.331 2.837 20 10 FFCDRN COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(Br)cc(C)c1O ZINC000359995314 210204586 /nfs/dbraw/zinc/20/45/86/210204586.db2.gz CVVZSURYGSISHW-UONOGXRCSA-N 0 0 372.259 2.616 20 10 FFCDRN C[C@H](NC(=O)c1ccc([S@](C)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000109190680 132244713 /nfs/dbraw/zinc/24/47/13/132244713.db2.gz XPVZVYWBIDDKKA-QWXGXRTQSA-N 0 0 372.490 2.752 20 10 FFCDRN CCC[C@@H](C)C(=O)NCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897840022 735282611 /nfs/dbraw/zinc/28/26/11/735282611.db2.gz WVSZWDBMZZCBSW-SNVBAGLBSA-N 0 0 350.440 2.595 20 10 FFCDRN CC(=O)CCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000368928370 512140131 /nfs/dbraw/zinc/14/01/31/512140131.db2.gz FFYFULBLPSJJFI-MRXNPFEDSA-N 0 0 352.862 2.886 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)c1O ZINC000368958098 512156477 /nfs/dbraw/zinc/15/64/77/512156477.db2.gz WVBCVDUYUJGQPC-GOEBONIOSA-N 0 0 351.830 2.818 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@H]1CCCOC1 ZINC000369083535 512219856 /nfs/dbraw/zinc/21/98/56/512219856.db2.gz HJHXUXDNYRJOCO-AWEZNQCLSA-N 0 0 369.412 2.735 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@H]1c1ccccc1 ZINC000366895574 512238130 /nfs/dbraw/zinc/23/81/30/512238130.db2.gz YNXAOSRRLVOHCG-PFSJMHODSA-N 0 0 367.401 2.526 20 10 FFCDRN O=C(CCc1c[nH]cn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000369129464 512240613 /nfs/dbraw/zinc/24/06/13/512240613.db2.gz FCEQSXYZGSBMFV-UHFFFAOYSA-N 0 0 364.396 2.729 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)C2CC2)cc1 ZINC000377415614 512259163 /nfs/dbraw/zinc/25/91/63/512259163.db2.gz FNIHKKOTVOIESU-XLIONFOSSA-N 0 0 373.522 2.698 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCc1nc(-c2cccc(F)c2)no1 ZINC000373326093 512275925 /nfs/dbraw/zinc/27/59/25/512275925.db2.gz BPKNNWMUMRWXFL-UHFFFAOYSA-N 0 0 356.357 2.923 20 10 FFCDRN COc1ccc(N2CCCN([C@H](C)C(=O)Nc3nccs3)CC2)cc1 ZINC000053774315 506442697 /nfs/dbraw/zinc/44/26/97/506442697.db2.gz QMMHDKBDMMUUOV-CQSZACIVSA-N 0 0 360.483 2.691 20 10 FFCDRN COc1ccc(N2CCN([C@H](C)C(=O)Nc3ccnn3C(C)C)CC2)cc1 ZINC000039561367 506453902 /nfs/dbraw/zinc/45/39/02/506453902.db2.gz QPOSEDVTRJPBOU-MRXNPFEDSA-N 0 0 371.485 2.622 20 10 FFCDRN C[C@H](Oc1cccc(F)c1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054284340 506529486 /nfs/dbraw/zinc/52/94/86/506529486.db2.gz CTDWSSIFFPYRTN-HNNXBMFYSA-N 0 0 358.413 2.746 20 10 FFCDRN CC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000055522683 506768461 /nfs/dbraw/zinc/76/84/61/506768461.db2.gz TUGBZDNMMNSDGZ-UHFFFAOYSA-N 0 0 371.412 2.551 20 10 FFCDRN COc1cc(OC)c(OC)cc1CNC(=O)N(C)Cc1ccccc1O ZINC000043792441 506780757 /nfs/dbraw/zinc/78/07/57/506780757.db2.gz AFYWZJISKIYBNO-UHFFFAOYSA-N 0 0 360.410 2.760 20 10 FFCDRN CCC(=O)N1CCCC[C@@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000055878622 506875698 /nfs/dbraw/zinc/87/56/98/506875698.db2.gz BAZHENGYMZPTEG-LJQANCHMSA-N 0 0 373.497 2.525 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(-c2ccco2)on1 ZINC000056199250 506959330 /nfs/dbraw/zinc/95/93/30/506959330.db2.gz FZMCZWGMGYJLFT-UHFFFAOYSA-N 0 0 353.378 2.701 20 10 FFCDRN CCC(CC)C(=O)N1CCC(NC(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000056341738 506991448 /nfs/dbraw/zinc/99/14/48/506991448.db2.gz MMSNWUMXNPSBGS-UHFFFAOYSA-N 0 0 374.529 2.979 20 10 FFCDRN COc1cccc(CNC(=O)C2CCN(C(=O)OC(C)(C)C)CC2)c1O ZINC000068488434 507247722 /nfs/dbraw/zinc/24/77/22/507247722.db2.gz ZDDULXYEIKAPRX-UHFFFAOYSA-N 0 0 364.442 2.664 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1O ZINC000068488868 507249286 /nfs/dbraw/zinc/24/92/86/507249286.db2.gz HXGURGNNGWJYEY-QGZVFWFLSA-N 0 0 357.406 2.889 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CCCC1 ZINC000047065696 507257870 /nfs/dbraw/zinc/25/78/70/507257870.db2.gz UOGQQXXANLWAOW-UHFFFAOYSA-N 0 0 357.376 2.847 20 10 FFCDRN CCOCCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000057465955 507272979 /nfs/dbraw/zinc/27/29/79/507272979.db2.gz CJTDAQRTXMRCDU-GASCZTMLSA-N 0 0 367.465 2.665 20 10 FFCDRN COc1cc(CNC(=O)CSc2nccs2)cc(OC)c1OC ZINC000047270305 507298810 /nfs/dbraw/zinc/29/88/10/507298810.db2.gz JMVZTCDPSABICM-UHFFFAOYSA-N 0 0 354.453 2.577 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H](CNC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000047401010 507322217 /nfs/dbraw/zinc/32/22/17/507322217.db2.gz AGCWFKZIZPGYHI-INIZCTEOSA-N 0 0 354.454 2.615 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccccc1C(=O)N1CCOCC1 ZINC000047484162 507342437 /nfs/dbraw/zinc/34/24/37/507342437.db2.gz AXGWAYOLVHVSQJ-UHFFFAOYSA-N 0 0 369.421 2.529 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)cc1F ZINC000058734223 507458222 /nfs/dbraw/zinc/45/82/22/507458222.db2.gz CIMLOUGUSPHJDL-HNNXBMFYSA-N 0 0 363.477 2.793 20 10 FFCDRN CCc1c(C(=O)NCc2ccc(N(C)C)c(F)c2)cnn1-c1ccccn1 ZINC000058974010 507487817 /nfs/dbraw/zinc/48/78/17/507487817.db2.gz OJKHJXSVPWWJJN-UHFFFAOYSA-N 0 0 367.428 2.965 20 10 FFCDRN Oc1ccccc1CN(Cc1nnnn1-c1ccccc1)C[C@H]1CCCO1 ZINC000070976839 507672621 /nfs/dbraw/zinc/67/26/21/507672621.db2.gz XXPJQZMNQRAVRZ-GOSISDBHSA-N 0 0 365.437 2.549 20 10 FFCDRN COC(=O)c1ccc(CN(C)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000031730852 507821460 /nfs/dbraw/zinc/82/14/60/507821460.db2.gz HBKVLAQJDUPSLR-UHFFFAOYSA-N 0 0 355.438 2.881 20 10 FFCDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)on1 ZINC000073108087 507894562 /nfs/dbraw/zinc/89/45/62/507894562.db2.gz QMEGFMWLZLZANZ-UHFFFAOYSA-N 0 0 361.417 2.828 20 10 FFCDRN CN(C)c1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000078775690 507906090 /nfs/dbraw/zinc/90/60/90/507906090.db2.gz JACGBNJITORTTN-KRWDZBQOSA-N 0 0 355.438 2.675 20 10 FFCDRN Cc1noc(C)c1CCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000108725076 507914627 /nfs/dbraw/zinc/91/46/27/507914627.db2.gz VOHVRYWHOASGDX-VMPITWQZSA-N 0 0 355.438 2.500 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1c2ccccc2C[C@H]1O ZINC000079158399 507939034 /nfs/dbraw/zinc/93/90/34/507939034.db2.gz CYPHWBBQQJBLLI-WOJBJXKFSA-N 0 0 351.450 2.744 20 10 FFCDRN Cc1nn(C)cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203383 508147136 /nfs/dbraw/zinc/14/71/36/508147136.db2.gz AFGZASDSYVBWEE-ZDUSSCGKSA-N 0 0 364.396 2.729 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 ZINC000093908128 508160141 /nfs/dbraw/zinc/16/01/41/508160141.db2.gz PNCNJPOLRUMFIX-WFASDCNBSA-N 0 0 352.456 2.559 20 10 FFCDRN CCOCc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000102582869 508278116 /nfs/dbraw/zinc/27/81/16/508278116.db2.gz HRJFROWQSCWOJA-UHFFFAOYSA-N 0 0 355.438 2.544 20 10 FFCDRN COc1ccc(N2CCCN([C@H](C(N)=O)c3ccc(F)cc3)CC2)cc1 ZINC000077234940 508290813 /nfs/dbraw/zinc/29/08/13/508290813.db2.gz KWHOWUKNLSTQAH-IBGZPJMESA-N 0 0 357.429 2.573 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)c1 ZINC000114542170 508325410 /nfs/dbraw/zinc/32/54/10/508325410.db2.gz CZQXJUDAJYFZFN-LJQANCHMSA-N 0 0 368.433 2.553 20 10 FFCDRN CCc1nc2cc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)ccc2o1 ZINC000077692130 508352084 /nfs/dbraw/zinc/35/20/84/508352084.db2.gz DEAJWMOUGRQLPB-UHFFFAOYSA-N 0 0 366.421 2.711 20 10 FFCDRN CCCCc1ccc(NC(=O)C(=O)NCc2cccc(OC)c2O)cc1 ZINC000077837667 508383334 /nfs/dbraw/zinc/38/33/34/508383334.db2.gz XPERZVJVFVLZDW-UHFFFAOYSA-N 0 0 356.422 2.998 20 10 FFCDRN COc1ccsc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000106284315 508398936 /nfs/dbraw/zinc/39/89/36/508398936.db2.gz FEWKHAMDFYSEEP-UHFFFAOYSA-N 0 0 364.442 2.787 20 10 FFCDRN COc1ccc(Cl)cc1NCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000156622624 508452692 /nfs/dbraw/zinc/45/26/92/508452692.db2.gz PUXOGMCKNTWPPC-UHFFFAOYSA-N 0 0 364.829 2.921 20 10 FFCDRN Cc1c(/C=C/C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cnn1C ZINC000152876548 508526309 /nfs/dbraw/zinc/52/63/09/508526309.db2.gz KYXSYNISPVMVQE-BBVFFXRHSA-N 0 0 355.438 2.655 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000116534139 508526346 /nfs/dbraw/zinc/52/63/46/508526346.db2.gz UMUYENRKTCFDJQ-INIZCTEOSA-N 0 0 356.422 2.773 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1cnn(CC(F)F)c1 ZINC000116842172 508567233 /nfs/dbraw/zinc/56/72/33/508567233.db2.gz WORTVCPUMBZPIV-ZZXKWVIFSA-N 0 0 362.380 2.637 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(C(F)(F)F)nc1 ZINC000157752893 508606389 /nfs/dbraw/zinc/60/63/89/508606389.db2.gz JIYVUDMJFPPOOT-UHFFFAOYSA-N 0 0 352.316 2.601 20 10 FFCDRN Cc1[nH]nc2ncc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cc12 ZINC000117975711 508625445 /nfs/dbraw/zinc/62/54/45/508625445.db2.gz SWZXZHHCECVCRR-INIZCTEOSA-N 0 0 366.421 2.793 20 10 FFCDRN CC(=O)c1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cc1C ZINC000128674841 508627683 /nfs/dbraw/zinc/62/76/83/508627683.db2.gz UPPFRNMNSJPUHO-UHFFFAOYSA-N 0 0 371.412 2.658 20 10 FFCDRN Cc1cc(C(=O)N2CCC(n3ccnn3)CC2)c(C)n1-c1ccccn1 ZINC000135903797 508657562 /nfs/dbraw/zinc/65/75/62/508657562.db2.gz IPSUJLSJTNNMSH-UHFFFAOYSA-N 0 0 350.426 2.558 20 10 FFCDRN OC1CCN(c2ccc(CNc3ncnc4ncccc43)cc2F)CC1 ZINC000119015286 508706360 /nfs/dbraw/zinc/70/63/60/508706360.db2.gz XLDLIQIWIOSRPZ-UHFFFAOYSA-N 0 0 353.401 2.737 20 10 FFCDRN C[C@H](CO)[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000154536760 508804776 /nfs/dbraw/zinc/80/47/76/508804776.db2.gz OAZRHEWACWNITO-OLZOCXBDSA-N 0 0 371.428 2.573 20 10 FFCDRN Cc1nc([C@@H]2COCCN2Cc2cc(Br)cc(C)c2O)no1 ZINC000369460580 512420182 /nfs/dbraw/zinc/42/01/82/512420182.db2.gz DFHFCOQWHLEGAM-ZDUSSCGKSA-N 0 0 368.231 2.728 20 10 FFCDRN Cc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccn1 ZINC000119655323 508837390 /nfs/dbraw/zinc/83/73/90/508837390.db2.gz FTCVFVRAWCGHCH-UHFFFAOYSA-N 0 0 358.417 2.812 20 10 FFCDRN COc1cc(N(C)CC(=O)N(C)C2CCCCC2)cc(OC)c1OC ZINC000131067961 508883352 /nfs/dbraw/zinc/88/33/52/508883352.db2.gz HLEOMDIFUXLXOK-UHFFFAOYSA-N 0 0 350.459 2.940 20 10 FFCDRN CCC[C@](C)(O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000124867519 508897928 /nfs/dbraw/zinc/89/79/28/508897928.db2.gz DVYJLGAPUVSXGR-SFHVURJKSA-N 0 0 356.413 2.924 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1c[nH]c2ncccc12 ZINC000155040424 508910193 /nfs/dbraw/zinc/91/01/93/508910193.db2.gz RNEKAWGRWSYTSD-UHFFFAOYSA-N 0 0 364.449 2.601 20 10 FFCDRN COc1cccc(CNC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)c1O ZINC000155457791 509004964 /nfs/dbraw/zinc/00/49/64/509004964.db2.gz GUQIMHKHTBHYLL-YOEHRIQHSA-N 0 0 368.433 2.627 20 10 FFCDRN Cc1cc(C(=O)N2CCCC[C@@H]2[C@H]2CNC(=O)C2)c(C)n1-c1ccccn1 ZINC000132281358 509010211 /nfs/dbraw/zinc/01/02/11/509010211.db2.gz WRHLCZGWCXMEDS-SJLPKXTDSA-N 0 0 366.465 2.620 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(CCO)Cc1ccccc1 ZINC000155698180 509055232 /nfs/dbraw/zinc/05/52/32/509055232.db2.gz HBQVUKFWBLLLPK-UHFFFAOYSA-N 0 0 351.450 2.767 20 10 FFCDRN CCC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000151719942 509071798 /nfs/dbraw/zinc/07/17/98/509071798.db2.gz GLMQEXFXWWFZPG-GOSISDBHSA-N 0 0 372.513 2.829 20 10 FFCDRN Cc1cc(C(=O)NCC2(CO)CCOCC2)c(C)n1-c1ccccc1C ZINC000151720650 509071833 /nfs/dbraw/zinc/07/18/33/509071833.db2.gz FWFODWBISPUTGF-UHFFFAOYSA-N 0 0 356.466 2.921 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H](O)c1ccccc1F ZINC000126261616 509075402 /nfs/dbraw/zinc/07/54/02/509075402.db2.gz PITBVDAFELIWOJ-JRMCHAMMSA-N 0 0 370.424 2.525 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1 ZINC000155948063 509098233 /nfs/dbraw/zinc/09/82/33/509098233.db2.gz IPCBJVCFBMWPIA-HNNXBMFYSA-N 0 0 374.462 2.773 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCOC[C@H]2CC(=O)c2ccco2)c1O ZINC000121130441 509134992 /nfs/dbraw/zinc/13/49/92/509134992.db2.gz YZRUZJKTXCBEKM-OAHLLOKOSA-N 0 0 361.369 2.801 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCNC(=O)C(C)(C)C ZINC000266773822 509187592 /nfs/dbraw/zinc/18/75/92/509187592.db2.gz FYWIDCLVKGGJHN-UHFFFAOYSA-N 0 0 362.518 2.835 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H]1CSCCS1 ZINC000176064348 509306204 /nfs/dbraw/zinc/30/62/04/509306204.db2.gz CZDGUTRJVRFNKA-ZVVFDCPKSA-N 0 0 364.536 2.501 20 10 FFCDRN CNC(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000264079339 509319917 /nfs/dbraw/zinc/31/99/17/509319917.db2.gz FSYQOQHCYPPDNZ-UHFFFAOYSA-N 0 0 366.465 2.704 20 10 FFCDRN CCCN(CC(=O)NC)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000264219580 509390790 /nfs/dbraw/zinc/39/07/90/509390790.db2.gz VYJYYCRXWVYVGC-UHFFFAOYSA-N 0 0 359.470 2.503 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](CO)c1ccccc1 ZINC000176301582 509431616 /nfs/dbraw/zinc/43/16/16/509431616.db2.gz CSAAWLNLWSNFRI-LJQANCHMSA-N 0 0 351.450 2.638 20 10 FFCDRN CCC[C@H](C)N1C[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CC1=O ZINC000173186537 509443886 /nfs/dbraw/zinc/44/38/86/509443886.db2.gz FTEUYGVEDBPKNU-GJZGRUSLSA-N 0 0 359.470 2.515 20 10 FFCDRN Cc1cc(C(=O)NCCCN2C(=O)CCC2=O)c(C)n1-c1ccc(F)cc1 ZINC000264303575 509445085 /nfs/dbraw/zinc/44/50/85/509445085.db2.gz LCCRRIAQQNCFGO-UHFFFAOYSA-N 0 0 371.412 2.502 20 10 FFCDRN CC(C)c1n[nH]cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000189169711 509447882 /nfs/dbraw/zinc/44/78/82/509447882.db2.gz VGHQBKAUKXPYQB-UHFFFAOYSA-N 0 0 360.433 2.563 20 10 FFCDRN CCn1nc(C)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1C ZINC000267391913 509467447 /nfs/dbraw/zinc/46/74/47/509467447.db2.gz IFOYFUQBLPFARY-UHFFFAOYSA-N 0 0 374.460 2.550 20 10 FFCDRN CC(C)CC(=O)NCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267538959 509532716 /nfs/dbraw/zinc/53/27/16/509532716.db2.gz AAFXIZQABHCYRY-UHFFFAOYSA-N 0 0 365.437 2.887 20 10 FFCDRN CC(=O)N1CCC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000267594404 509558926 /nfs/dbraw/zinc/55/89/26/509558926.db2.gz VNBVHRGAIFQVPY-HNNXBMFYSA-N 0 0 363.421 2.593 20 10 FFCDRN COc1cc(C(C)=O)ccc1OCCCC(=O)NCCc1ccc(N)cc1 ZINC000237093101 509569794 /nfs/dbraw/zinc/56/97/94/509569794.db2.gz FEVIYEIJWLEPGY-UHFFFAOYSA-N 0 0 370.449 2.998 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000267738198 509597340 /nfs/dbraw/zinc/59/73/40/509597340.db2.gz UZCRRSISWCOYPV-JKSUJKDBSA-N 0 0 369.387 2.660 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1nc2c(s1)CCCCC2 ZINC000192714461 509609654 /nfs/dbraw/zinc/60/96/54/509609654.db2.gz XVEWKFVGXDRVKF-UHFFFAOYSA-N 0 0 359.451 2.715 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cncnc3C(C)C)CC2)cc1F ZINC000267923295 509672163 /nfs/dbraw/zinc/67/21/63/509672163.db2.gz FTHZGZPSGRMGIZ-UHFFFAOYSA-N 0 0 358.417 2.710 20 10 FFCDRN Cc1cc(C(=O)N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000264881819 509755147 /nfs/dbraw/zinc/75/51/47/509755147.db2.gz CRBYUTQJLARONO-GOEBONIOSA-N 0 0 362.495 2.988 20 10 FFCDRN Nc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 ZINC000237902877 509767011 /nfs/dbraw/zinc/76/70/11/509767011.db2.gz NFJITGFIKDVNIK-LJQANCHMSA-N 0 0 373.884 2.654 20 10 FFCDRN Nc1ccc(CC(=O)Nc2cccc(C(=O)N3CCSCC3)c2)cc1 ZINC000237924762 509774530 /nfs/dbraw/zinc/77/45/30/509774530.db2.gz BSCUXAPUFOJBHN-UHFFFAOYSA-N 0 0 355.463 2.639 20 10 FFCDRN Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)cc1 ZINC000237994454 509794079 /nfs/dbraw/zinc/79/40/79/509794079.db2.gz HWFAVBGGKZCMII-OAHLLOKOSA-N 0 0 355.413 2.828 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N1CCCC1 ZINC000183468453 509809399 /nfs/dbraw/zinc/80/93/99/509809399.db2.gz BDZMSIQSOYNPNV-PVAVHDDUSA-N 0 0 374.481 2.574 20 10 FFCDRN COc1ccc(O)c([C@H](C)Nc2cccc3c2CCN3S(C)(=O)=O)c1 ZINC000186659210 509833169 /nfs/dbraw/zinc/83/31/69/509833169.db2.gz UUFDBTSNDZOACN-LBPRGKRZSA-N 0 0 362.451 2.896 20 10 FFCDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)on1 ZINC000265055565 509841430 /nfs/dbraw/zinc/84/14/30/509841430.db2.gz UOLPOOIKBCJDJQ-UHFFFAOYSA-N 0 0 357.454 2.937 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1=CCOCC1 ZINC000193382462 509889291 /nfs/dbraw/zinc/88/92/91/509889291.db2.gz UGHYLZHAYSLGOH-CQSZACIVSA-N 0 0 352.381 2.720 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCC[C@H]1C ZINC000171067355 509919918 /nfs/dbraw/zinc/91/99/18/509919918.db2.gz OVNPBRDBHQXEAM-IAGOWNOFSA-N 0 0 372.513 2.876 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H](c3nnc(C)[nH]3)C2)c(C)n1-c1ccccn1 ZINC000268426983 509922144 /nfs/dbraw/zinc/92/21/44/509922144.db2.gz HQWDUAAVJXXZAS-MRXNPFEDSA-N 0 0 364.453 2.935 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Cc3cn4ccccc4n3)CC2)cc1 ZINC000193520205 509947993 /nfs/dbraw/zinc/94/79/93/509947993.db2.gz MRGUOPDMJBFSBD-UHFFFAOYSA-N 0 0 364.449 2.624 20 10 FFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(N(C)C)c3)c2)CC1 ZINC000190136499 509959240 /nfs/dbraw/zinc/95/92/40/509959240.db2.gz SSNLBMKGMNGBRV-UHFFFAOYSA-N 0 0 366.465 2.673 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3ccco3)CC2)c1O ZINC000177254451 509961865 /nfs/dbraw/zinc/96/18/65/509961865.db2.gz OABSJVZVVWZFCY-UHFFFAOYSA-N 0 0 362.813 2.799 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C(C)=C3CCCC3)cc2)CC1 ZINC000190234322 510018304 /nfs/dbraw/zinc/01/83/04/510018304.db2.gz YRVPHCFHOJVARN-UHFFFAOYSA-N 0 0 355.482 2.862 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](O)c2cnn(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000268592538 510026695 /nfs/dbraw/zinc/02/66/95/510026695.db2.gz JZAGYHHYDNWYSY-SFHVURJKSA-N 0 0 372.856 2.944 20 10 FFCDRN C[C@@H]1Oc2c(cccc2C(=O)NCc2ccc(N3CCCC3)cc2)NC1=O ZINC000171435145 510157717 /nfs/dbraw/zinc/15/77/17/510157717.db2.gz ASGFNBAGSJUSBY-AWEZNQCLSA-N 0 0 365.433 2.936 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H]3C[C@H]4CC[C@@H]3C4)cc2)CC1 ZINC000190577482 510217770 /nfs/dbraw/zinc/21/77/70/510217770.db2.gz ZWSGYWKAAOVBMO-XUVXKRRUSA-N 0 0 369.509 2.798 20 10 FFCDRN CCc1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 ZINC000190581391 510221347 /nfs/dbraw/zinc/22/13/47/510221347.db2.gz RLPRAMDWEMYZFK-UHFFFAOYSA-N 0 0 365.477 2.848 20 10 FFCDRN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)NCc1ccccc1O ZINC000269104258 510237761 /nfs/dbraw/zinc/23/77/61/510237761.db2.gz AHAZVISJPRAZBF-UHFFFAOYSA-N 0 0 354.406 2.752 20 10 FFCDRN C[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000184292388 510243723 /nfs/dbraw/zinc/24/37/23/510243723.db2.gz APJKPHSSQPIHCD-HNNXBMFYSA-N 0 0 374.510 2.925 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCc1ccc(O)cc1 ZINC000269139600 510254460 /nfs/dbraw/zinc/25/44/60/510254460.db2.gz LMBTUWZUUUUKLC-BJMVGYQFSA-N 0 0 352.434 2.601 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnc(N2CCCC2)n1 ZINC000265858866 510266890 /nfs/dbraw/zinc/26/68/90/510266890.db2.gz YVPNQQNTEWSWKP-UHFFFAOYSA-N 0 0 351.454 2.607 20 10 FFCDRN O[C@@H](CN(Cc1cccs1)c1ccc2c(c1)OCCO2)Cn1cccn1 ZINC000171638564 510268201 /nfs/dbraw/zinc/26/82/01/510268201.db2.gz AXCAVRLBTFQTIA-INIZCTEOSA-N 0 0 371.462 2.784 20 10 FFCDRN COc1ccccc1N1CC[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181185276 510293566 /nfs/dbraw/zinc/29/35/66/510293566.db2.gz CSEBBGFKUSRKRD-HEWZJLJBSA-N 0 0 354.406 2.515 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccc(N)cc3)cc2F)C[C@@H](C)O1 ZINC000269240890 510305191 /nfs/dbraw/zinc/30/51/91/510305191.db2.gz JKXWELOHBQNKPX-HUUCEWRRSA-N 0 0 371.456 2.880 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)c1O ZINC000265964793 510328410 /nfs/dbraw/zinc/32/84/10/510328410.db2.gz RZHDRRUESWIJGP-INIZCTEOSA-N 0 0 358.394 2.890 20 10 FFCDRN COC(=O)[C@H]1CC12CCN(C(=O)NCc1ccc(N3CC=CC3)cc1)CC2 ZINC000265966526 510328811 /nfs/dbraw/zinc/32/88/11/510328811.db2.gz SDIXDOMQUFSYFG-GOSISDBHSA-N 0 0 369.465 2.548 20 10 FFCDRN Cc1cc(C(=O)NCCCOC2CCOCC2)c(C)n1-c1ccccn1 ZINC000266004688 510354524 /nfs/dbraw/zinc/35/45/24/510354524.db2.gz SZEXLJQYUHLKJW-UHFFFAOYSA-N 0 0 357.454 2.805 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cnc4onc(C)c4c3)CC2)cc1 ZINC000194699537 510486174 /nfs/dbraw/zinc/48/61/74/510486174.db2.gz NEWPYNUJRDLSTR-UHFFFAOYSA-N 0 0 366.421 2.892 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1CCN(CC(F)(F)F)CC1 ZINC000266324501 510518756 /nfs/dbraw/zinc/51/87/56/510518756.db2.gz HVPGOBRWRINTLR-UHFFFAOYSA-N 0 0 371.403 2.752 20 10 FFCDRN CC(=O)N1c2ccc(S(=O)(=O)N(C)Cc3ccccc3O)cc2C[C@@H]1C ZINC000269768403 510540523 /nfs/dbraw/zinc/54/05/23/510540523.db2.gz GLFRRKOSVSOXNN-ZDUSSCGKSA-N 0 0 374.462 2.510 20 10 FFCDRN COC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H]1C ZINC000188030789 510557392 /nfs/dbraw/zinc/55/73/92/510557392.db2.gz JRANYYDFNBUDLZ-CJNGLKHVSA-N 0 0 355.438 2.760 20 10 FFCDRN COC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@H]1C ZINC000188030835 510557989 /nfs/dbraw/zinc/55/79/89/510557989.db2.gz JRANYYDFNBUDLZ-BBRMVZONSA-N 0 0 355.438 2.760 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCCOC2CCOCC2)cc1 ZINC000266459943 510600550 /nfs/dbraw/zinc/60/05/50/510600550.db2.gz ABOBZGUIRQRUBK-UHFFFAOYSA-N 0 0 363.502 2.918 20 10 FFCDRN O=C(c1ccc2nccn2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000172229770 510610884 /nfs/dbraw/zinc/61/08/84/510610884.db2.gz CZZMLJJTINIDIQ-QGZVFWFLSA-N 0 0 351.406 2.861 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@](C)(O)c1ccccc1 ZINC000181819717 510610963 /nfs/dbraw/zinc/61/09/63/510610963.db2.gz HFQDTVRDZQCZFM-JOCHJYFZSA-N 0 0 368.477 2.779 20 10 FFCDRN CNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000184995339 510622978 /nfs/dbraw/zinc/62/29/78/510622978.db2.gz VRNOQSKAECJGEG-JTQLQIEISA-N 0 0 360.285 2.560 20 10 FFCDRN O=C(NCCCC(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000266529832 510641984 /nfs/dbraw/zinc/64/19/84/510641984.db2.gz KKDHBFRQUVFITP-UHFFFAOYSA-N 0 0 363.355 2.804 20 10 FFCDRN Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000266540211 510645421 /nfs/dbraw/zinc/64/54/21/510645421.db2.gz KQYSUEHFTUOBOU-UHFFFAOYSA-N 0 0 373.474 2.913 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C1CCN(C(=O)c2ccccc2)CC1 ZINC000175504736 510666670 /nfs/dbraw/zinc/66/66/70/510666670.db2.gz SOTHKPQFCQNWEI-UHFFFAOYSA-N 0 0 352.434 2.903 20 10 FFCDRN COc1cccc(O[C@@H](C)CNC(=O)NCc2cccc(OC)c2O)c1 ZINC000266737802 510758062 /nfs/dbraw/zinc/75/80/62/510758062.db2.gz BFMMOXQDAPMLHZ-ZDUSSCGKSA-N 0 0 360.410 2.676 20 10 FFCDRN C[C@@](O)(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000182132562 510773702 /nfs/dbraw/zinc/77/37/02/510773702.db2.gz WZZWVQSKBHFFQL-OAQYLSRUSA-N 0 0 372.440 2.576 20 10 FFCDRN Oc1ccccc1C[N@@H+]1CCCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000191685431 510784420 /nfs/dbraw/zinc/78/44/20/510784420.db2.gz KDKNICZCQFQVNS-UHFFFAOYSA-N 0 0 358.389 2.975 20 10 FFCDRN Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])CC2 ZINC000185317849 510802789 /nfs/dbraw/zinc/80/27/89/510802789.db2.gz CESANXCONMCAOL-KCJUWKMLSA-N 0 0 369.238 2.859 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185322559 510806895 /nfs/dbraw/zinc/80/68/95/510806895.db2.gz OFIROCGHLVIYRN-NWDGAFQWSA-N 0 0 352.431 2.851 20 10 FFCDRN Cc1cc(=O)[nH]c(-c2ccc(NC(=O)c3ccc(C)c(O)c3O)cc2)n1 ZINC000182231138 510825626 /nfs/dbraw/zinc/82/56/26/510825626.db2.gz WULLNRUJASDVHE-UHFFFAOYSA-N 0 0 351.362 2.717 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[S@](=O)C[C@H](C)C2)cc1F ZINC000297272928 510882060 /nfs/dbraw/zinc/88/20/60/510882060.db2.gz OZOPGJXSOVAJSX-PWECECGKSA-N 0 0 369.506 2.582 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccnn1C(C)C ZINC000275683188 510911155 /nfs/dbraw/zinc/91/11/55/510911155.db2.gz IKIGGZCYWNZHSK-UHFFFAOYSA-N 0 0 371.485 2.906 20 10 FFCDRN Cc1ccncc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275714256 510911896 /nfs/dbraw/zinc/91/18/96/510911896.db2.gz MRIGIPPGDIWVOX-UHFFFAOYSA-N 0 0 354.454 2.832 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1 ZINC000276045365 510925043 /nfs/dbraw/zinc/92/50/43/510925043.db2.gz HNFHTFOOXMPOEL-CQSZACIVSA-N 0 0 362.380 2.785 20 10 FFCDRN CSc1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000276235348 510930019 /nfs/dbraw/zinc/93/00/19/510930019.db2.gz XYEXPTLCCRVSRZ-LLVKDONJSA-N 0 0 374.462 2.814 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3nnc(C(F)F)s3)cc2)CC1 ZINC000276261606 510931684 /nfs/dbraw/zinc/93/16/84/510931684.db2.gz FRIPRRBCKFYBFJ-UHFFFAOYSA-N 0 0 367.425 2.756 20 10 FFCDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000276411577 510938672 /nfs/dbraw/zinc/93/86/72/510938672.db2.gz AZOQOMMHHWJRNG-ZBFHGGJFSA-N 0 0 357.406 2.577 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)c2ccccc21 ZINC000276448179 510939122 /nfs/dbraw/zinc/93/91/22/510939122.db2.gz LNADAUFXTBRKHA-LJQANCHMSA-N 0 0 350.418 2.510 20 10 FFCDRN Cn1ncc2c1CCC[C@@H]2N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277405201 510962181 /nfs/dbraw/zinc/96/21/81/510962181.db2.gz QFTUTZFPZOKPLS-HNNXBMFYSA-N 0 0 374.828 2.621 20 10 FFCDRN COc1ccc(O)c(CN2CCN(c3nc(F)c(F)cc3F)CC2)c1 ZINC000277375730 510962282 /nfs/dbraw/zinc/96/22/82/510962282.db2.gz FXGVSCHHJDEPNP-UHFFFAOYSA-N 0 0 353.344 2.535 20 10 FFCDRN CCOc1ccc(O)c(CNc2cc(CS(C)(=O)=O)ccc2OC)c1 ZINC000285599173 510971660 /nfs/dbraw/zinc/97/16/60/510971660.db2.gz VCALDZWIRYFQTF-UHFFFAOYSA-N 0 0 365.451 2.956 20 10 FFCDRN CCc1n[nH]c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1[N+](=O)[O-] ZINC000278047948 510980709 /nfs/dbraw/zinc/98/07/09/510980709.db2.gz REESSBOIJLNFFV-UHFFFAOYSA-N 0 0 357.414 2.751 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000282509393 511007234 /nfs/dbraw/zinc/00/72/34/511007234.db2.gz PISOAZJXUXZJBO-UHFFFAOYSA-N 0 0 373.457 2.511 20 10 FFCDRN COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278860098 511012011 /nfs/dbraw/zinc/01/20/11/511012011.db2.gz LUFWQGFNRZUDMW-SJKOYZFVSA-N 0 0 352.387 2.521 20 10 FFCDRN COc1cccc(N2CC[C@@H]([NH2+]Cc3ccc([N+](=O)[O-])c(OC)c3[O-])C2)c1 ZINC000278950442 511014647 /nfs/dbraw/zinc/01/46/47/511014647.db2.gz ZLMIJVCRPOTTNO-CQSZACIVSA-N 0 0 373.409 2.686 20 10 FFCDRN Cc1nc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)sc1C ZINC000279091167 511018080 /nfs/dbraw/zinc/01/80/80/511018080.db2.gz PGJMFFZIGMFMLM-UHFFFAOYSA-N 0 0 372.494 2.956 20 10 FFCDRN Cc1cc(C(=O)NCCC2(O)CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000286275993 511021582 /nfs/dbraw/zinc/02/15/82/511021582.db2.gz WTCHVZIGQCIYQS-UHFFFAOYSA-N 0 0 360.429 2.895 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000279259799 511023102 /nfs/dbraw/zinc/02/31/02/511023102.db2.gz TVJKGLONVAXZIU-MRXNPFEDSA-N 0 0 369.465 2.899 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](C)OC3(CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000279259797 511023615 /nfs/dbraw/zinc/02/36/15/511023615.db2.gz TVJKGLONVAXZIU-INIZCTEOSA-N 0 0 369.465 2.899 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](c2nncn2C)C(C)C)cc1 ZINC000286749977 511031879 /nfs/dbraw/zinc/03/18/79/511031879.db2.gz UUMQMHVWYPEZGL-KRWDZBQOSA-N 0 0 358.490 2.858 20 10 FFCDRN CCC[C@@H](OC)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000294408169 511054316 /nfs/dbraw/zinc/05/43/16/511054316.db2.gz JPJVPTRJSMKFLG-MRXNPFEDSA-N 0 0 374.403 2.973 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCCN(C(N)=O)C2)cc1 ZINC000288212196 511067986 /nfs/dbraw/zinc/06/79/86/511067986.db2.gz OUIYMSFDLHCSSP-INIZCTEOSA-N 0 0 354.454 2.615 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N(C)Cc3ccco3)cc2)CC1 ZINC000288264220 511068873 /nfs/dbraw/zinc/06/88/73/511068873.db2.gz UHHDCKVYPKBHTO-UHFFFAOYSA-N 0 0 369.465 2.791 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@H]2CCCC(=O)N2)cc1 ZINC000288379629 511072789 /nfs/dbraw/zinc/07/27/89/511072789.db2.gz ZHQGBSFKJWTVIA-QGZVFWFLSA-N 0 0 369.465 2.933 20 10 FFCDRN C[C@@H](c1cccs1)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000288423668 511074394 /nfs/dbraw/zinc/07/43/94/511074394.db2.gz CYEAHFODIJFHCG-HNNXBMFYSA-N 0 0 369.490 2.960 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC000288840543 511087478 /nfs/dbraw/zinc/08/74/78/511087478.db2.gz JTLBWISZMSAAPB-KRWDZBQOSA-N 0 0 362.470 2.596 20 10 FFCDRN COC(=O)CN(Cc1cncc(OC)c1)Cc1cc(Cl)ccc1O ZINC000289878702 511119113 /nfs/dbraw/zinc/11/91/13/511119113.db2.gz MAEWCSCBEOSIIM-UHFFFAOYSA-N 0 0 350.802 2.624 20 10 FFCDRN CC(C)OCc1cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)ccc1O ZINC000290436791 511141634 /nfs/dbraw/zinc/14/16/34/511141634.db2.gz BMDNMQKXELALKL-UHFFFAOYSA-N 0 0 353.444 2.895 20 10 FFCDRN COCc1nc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)cs1 ZINC000290600094 511146586 /nfs/dbraw/zinc/14/65/86/511146586.db2.gz AOMGYSXBFMIKIK-UHFFFAOYSA-N 0 0 358.467 2.665 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)c1ccccc1 ZINC000290890379 511152769 /nfs/dbraw/zinc/15/27/69/511152769.db2.gz BPQBJGKMDVRLFE-UZLBHIALSA-N 0 0 351.450 2.984 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCCc1nccs1 ZINC000290978787 511155514 /nfs/dbraw/zinc/15/55/14/511155514.db2.gz VFKHOXFGOMCTOD-UHFFFAOYSA-N 0 0 374.510 2.754 20 10 FFCDRN COc1cc(N2CCN(C(=O)C3(CCF)CC3)CC2)cc(OC)c1OC ZINC000291253225 511163183 /nfs/dbraw/zinc/16/31/83/511163183.db2.gz KDZKESNKAGCLSQ-UHFFFAOYSA-N 0 0 366.433 2.501 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@H]2CC(c3ccc(C)cc3)=NO2)c1O ZINC000283054853 511215625 /nfs/dbraw/zinc/21/56/25/511215625.db2.gz FSPOCOCWBCWRST-MRXNPFEDSA-N 0 0 369.421 2.702 20 10 FFCDRN CN(c1ccc(CNC(=O)[C@@H](O)c2cnn(C)c2)cc1)C1CCCCC1 ZINC000283182894 511267268 /nfs/dbraw/zinc/26/72/68/511267268.db2.gz YCAZNJHEEQMGJG-IBGZPJMESA-N 0 0 356.470 2.539 20 10 FFCDRN COC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000298434574 511283456 /nfs/dbraw/zinc/28/34/56/511283456.db2.gz XROAECRWPFBLGF-UHFFFAOYSA-N 0 0 353.422 2.739 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCC(=O)c2ccccc21 ZINC000283238322 511289057 /nfs/dbraw/zinc/28/90/57/511289057.db2.gz AMKORDCTFMCDNN-HXUWFJFHSA-N 0 0 364.445 2.900 20 10 FFCDRN Cn1ccnc1[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)CO ZINC000295143731 511297886 /nfs/dbraw/zinc/29/78/86/511297886.db2.gz ZZQFUCUWKGMNNP-CQSZACIVSA-N 0 0 368.821 2.537 20 10 FFCDRN CCn1ncnc1COC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000283409289 511355726 /nfs/dbraw/zinc/35/57/26/511355726.db2.gz BXJPSJCATQMICL-UHFFFAOYSA-N 0 0 356.426 2.873 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](COC)[C@H]1CCCO1 ZINC000283425496 511363005 /nfs/dbraw/zinc/36/30/05/511363005.db2.gz RYEHAFFRKBZBEY-FUHWJXTLSA-N 0 0 350.459 2.898 20 10 FFCDRN Cc1ccc(CS(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1C ZINC000283450130 511370994 /nfs/dbraw/zinc/37/09/94/511370994.db2.gz DWQWWKSVGJBINL-UHFFFAOYSA-N 0 0 374.506 2.760 20 10 FFCDRN CCOC(=O)c1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)[nH]c1C ZINC000295372993 511381150 /nfs/dbraw/zinc/38/11/50/511381150.db2.gz RWJFBQBYQTWPEC-UHFFFAOYSA-N 0 0 357.410 2.605 20 10 FFCDRN CCNC(=O)COc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000298724185 511388661 /nfs/dbraw/zinc/38/86/61/511388661.db2.gz WLMFTACOZRVGKV-UHFFFAOYSA-N 0 0 357.410 2.571 20 10 FFCDRN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCO1 ZINC000271979724 511389891 /nfs/dbraw/zinc/38/98/91/511389891.db2.gz OHZRAAPVXHJJFH-KCYZZUKISA-N 0 0 364.461 2.871 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2cccn2C)n1C[C@@H]1CCCO1 ZINC000291919500 511391237 /nfs/dbraw/zinc/39/12/37/511391237.db2.gz OJAZXVYIMAEQAR-INIZCTEOSA-N 0 0 367.453 2.805 20 10 FFCDRN CC(C)c1nn(C)cc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000298843216 511427760 /nfs/dbraw/zinc/42/77/60/511427760.db2.gz JAKZBHVIRRGKCJ-UHFFFAOYSA-N 0 0 356.470 2.652 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])s1 ZINC000298879079 511439550 /nfs/dbraw/zinc/43/95/50/511439550.db2.gz YQQJGGXCHSOMEX-UHFFFAOYSA-N 0 0 365.386 2.562 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)NC(=O)c1ccoc1 ZINC000298952217 511463578 /nfs/dbraw/zinc/46/35/78/511463578.db2.gz IBXRVGVTFLXQTJ-OAHLLOKOSA-N 0 0 357.454 2.901 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](OC)c1ccccc1 ZINC000283703401 511468179 /nfs/dbraw/zinc/46/81/79/511468179.db2.gz BRPAJLSHLAOAAW-LJQANCHMSA-N 0 0 370.449 2.635 20 10 FFCDRN CC(C)(C)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000280450613 511469834 /nfs/dbraw/zinc/46/98/34/511469834.db2.gz HXBKAEMZUQLJII-LBPRGKRZSA-N 0 0 354.472 2.662 20 10 FFCDRN CCOCCOCc1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000272534028 511497744 /nfs/dbraw/zinc/49/77/44/511497744.db2.gz XFBJNRRWKZGBAZ-VQHVLOKHSA-N 0 0 371.433 2.981 20 10 FFCDRN CC[C@H]1C[C@H](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000272692273 511503677 /nfs/dbraw/zinc/50/36/77/511503677.db2.gz DPZSXVVRJIPDFK-WBVHZDCISA-N 0 0 364.461 2.874 20 10 FFCDRN CC[C@H]1[C@@H](C(=O)NCc2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC000292215799 511509170 /nfs/dbraw/zinc/50/91/70/511509170.db2.gz QHOHXIYICTXBTR-KBPBESRZSA-N 0 0 364.442 2.750 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000273190455 511520085 /nfs/dbraw/zinc/52/00/85/511520085.db2.gz PROCNCMAMQFACA-OCCSQVGLSA-N 0 0 364.442 2.545 20 10 FFCDRN C[C@@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283849106 511520784 /nfs/dbraw/zinc/52/07/84/511520784.db2.gz DHMORBYEHCDTDG-INIZCTEOSA-N 0 0 366.465 2.518 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cc(F)ccc1O ZINC000273303193 511521443 /nfs/dbraw/zinc/52/14/43/511521443.db2.gz CEAGRPASGPLJIH-AWEZNQCLSA-N 0 0 358.413 2.855 20 10 FFCDRN COc1ccc(OC)c([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273415774 511524785 /nfs/dbraw/zinc/52/47/85/511524785.db2.gz QVDFJDUISHPWDE-PIGZYNQJSA-N 0 0 362.382 2.702 20 10 FFCDRN CCCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000280603832 511528191 /nfs/dbraw/zinc/52/81/91/511528191.db2.gz RHVBAMSQFYFVBY-ZDUSSCGKSA-N 0 0 371.437 2.990 20 10 FFCDRN C[C@H]1CC[C@@H](c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCOC2)O1 ZINC000295832170 511529988 /nfs/dbraw/zinc/52/99/88/511529988.db2.gz BBMAUXARUFQYQA-DAYGRLMNSA-N 0 0 372.469 2.897 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1 ZINC000273528140 511530177 /nfs/dbraw/zinc/53/01/77/511530177.db2.gz VVYXHRHVXDMSTA-YEWDVWPNSA-N 0 0 351.468 2.884 20 10 FFCDRN Cc1ccc(N2CCOCC2)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000280672397 511557756 /nfs/dbraw/zinc/55/77/56/511557756.db2.gz FAMCNSOMCLRUOR-UHFFFAOYSA-N 0 0 371.437 2.607 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Cc3cc(F)cc4c3OCOC4)ccc21 ZINC000299321412 511591555 /nfs/dbraw/zinc/59/15/55/511591555.db2.gz HGYOFRONDDDKHB-UHFFFAOYSA-N 0 0 370.424 2.934 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccs1 ZINC000284122179 511613100 /nfs/dbraw/zinc/61/31/00/511613100.db2.gz RKRGZDBOXHWOOD-UHFFFAOYSA-N 0 0 359.495 2.868 20 10 FFCDRN Cc1cccc([C@H](CNC(=O)NCc2ccccc2O)N2CCOCC2)c1 ZINC000299546731 511663083 /nfs/dbraw/zinc/66/30/83/511663083.db2.gz WQSDIEGRHQAILB-IBGZPJMESA-N 0 0 369.465 2.573 20 10 FFCDRN Cc1csc([C@@](O)(CC(=O)NCc2ccccc2O)C(F)(F)F)n1 ZINC000299588817 511664802 /nfs/dbraw/zinc/66/48/02/511664802.db2.gz SMVDOBGXFZBFTJ-AWEZNQCLSA-N 0 0 360.357 2.614 20 10 FFCDRN CCOc1ccccc1C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000299594826 511664954 /nfs/dbraw/zinc/66/49/54/511664954.db2.gz UJCNURUHBUPJIU-KRWDZBQOSA-N 0 0 368.433 2.712 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000363632886 511669580 /nfs/dbraw/zinc/66/95/80/511669580.db2.gz KKCPXHXAAIVKTA-VQTJNVASSA-N 0 0 351.450 2.680 20 10 FFCDRN Cc1cc(/C=C/C(=O)NC2(CO)CCOCC2)c(C)n1-c1ccccc1 ZINC000274001487 511686682 /nfs/dbraw/zinc/68/66/82/511686682.db2.gz NCQVEMILKATSTM-CMDGGOBGSA-N 0 0 354.450 2.765 20 10 FFCDRN CNC(=O)c1ccc(NCc2ccc(N3CC=CC3)cc2)c([N+](=O)[O-])c1 ZINC000301372073 511697002 /nfs/dbraw/zinc/69/70/02/511697002.db2.gz UBKWZJRQATXNNR-UHFFFAOYSA-N 0 0 352.394 2.943 20 10 FFCDRN CNS(=O)(=O)c1ccc(NCc2ccc(N(C)C)cc2C)c(F)c1 ZINC000301937207 511703553 /nfs/dbraw/zinc/70/35/53/511703553.db2.gz SSTOQBDSOLMAMY-UHFFFAOYSA-N 0 0 351.447 2.720 20 10 FFCDRN CCc1cc(N(Cc2ccccc2O)C[C@@H]2CCCO2)n2ncnc2n1 ZINC000301855289 511703666 /nfs/dbraw/zinc/70/36/66/511703666.db2.gz HXEDJVLRHIRRHM-INIZCTEOSA-N 0 0 353.426 2.578 20 10 FFCDRN CCC1(CC)CN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC[S@@]1=O ZINC000302222736 511708282 /nfs/dbraw/zinc/70/82/82/511708282.db2.gz OUUJLWJOQCKCTL-DEOSSOPVSA-N 0 0 356.444 2.740 20 10 FFCDRN COc1ccc(N2CCC(Nc3ncccc3S(C)(=O)=O)CC2)cc1 ZINC000302460110 511709224 /nfs/dbraw/zinc/70/92/24/511709224.db2.gz RDWCQLCIUOBCDX-UHFFFAOYSA-N 0 0 361.467 2.575 20 10 FFCDRN CN(Cc1ccccc1O)c1ccc(S(N)(=O)=O)cc1C(F)(F)F ZINC000302685962 511710625 /nfs/dbraw/zinc/71/06/25/511710625.db2.gz YHGGWVVDWNMUFK-UHFFFAOYSA-N 0 0 360.357 2.695 20 10 FFCDRN CN(CCNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000296420467 511735556 /nfs/dbraw/zinc/73/55/56/511735556.db2.gz MWXACINPOVCFHW-UHFFFAOYSA-N 0 0 374.485 2.729 20 10 FFCDRN COc1cccc(CNC(=O)NCc2nc(-c3cccc(F)c3)no2)c1O ZINC000365938140 511738414 /nfs/dbraw/zinc/73/84/14/511738414.db2.gz URBHIJXQKFIKGQ-UHFFFAOYSA-N 0 0 372.356 2.589 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc(C(C)(C)C)ns1 ZINC000281335965 511809333 /nfs/dbraw/zinc/80/93/33/511809333.db2.gz JZKNMHUGGUEJRM-SECBINFHSA-N 0 0 350.444 3.000 20 10 FFCDRN Cc1ccc2c(c1)nc(CNC(=O)NCc1ccc(N(C)C)cc1)n2C ZINC000274393052 511818504 /nfs/dbraw/zinc/81/85/04/511818504.db2.gz LETLDKTWSYZVAF-UHFFFAOYSA-N 0 0 351.454 2.947 20 10 FFCDRN CCN(Cc1ncnn1CCF)Cc1cc(Br)ccc1O ZINC000281411258 511837143 /nfs/dbraw/zinc/83/71/43/511837143.db2.gz GXJRYLAPDARREI-UHFFFAOYSA-N 0 0 357.227 2.738 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000284729586 511842395 /nfs/dbraw/zinc/84/23/95/511842395.db2.gz GLTMZVDGUPSYJI-UHFFFAOYSA-N 0 0 361.463 2.777 20 10 FFCDRN COCCCn1cc(C)c(NC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000296736365 511877029 /nfs/dbraw/zinc/87/70/29/511877029.db2.gz HFCOMBFEEWLCIO-UHFFFAOYSA-N 0 0 369.469 2.926 20 10 FFCDRN CC(C)(O)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000274909116 511984621 /nfs/dbraw/zinc/98/46/21/511984621.db2.gz IKSPEXIOCWZKBI-ZDUSSCGKSA-N 0 0 371.428 2.717 20 10 FFCDRN CCN(C)C(=O)CNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000274919818 511987501 /nfs/dbraw/zinc/98/75/01/511987501.db2.gz IXHVZUIEFDCTRG-UHFFFAOYSA-N 0 0 372.469 2.536 20 10 FFCDRN Cc1cncc(CCC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000293533824 511999538 /nfs/dbraw/zinc/99/95/38/511999538.db2.gz ZUPFUYUQKOAPLJ-UHFFFAOYSA-N 0 0 371.456 2.739 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000274996284 512010662 /nfs/dbraw/zinc/01/06/62/512010662.db2.gz ZOMMXUSMBJQIBR-ZDUSSCGKSA-N 0 0 367.405 2.828 20 10 FFCDRN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000282025770 512050464 /nfs/dbraw/zinc/05/04/64/512050464.db2.gz UTDSGIIRRVBGBB-ZDUSSCGKSA-N 0 0 364.442 2.865 20 10 FFCDRN COc1cc(N(C)Cc2ncnn2-c2ccccc2)cc(OC)c1OC ZINC000282142807 512087089 /nfs/dbraw/zinc/08/70/89/512087089.db2.gz ZPKXGIFNQAENIZ-UHFFFAOYSA-N 0 0 354.410 2.930 20 10 FFCDRN Cc1cc(Cl)cc(CN(C)Cc2ccccc2S(N)(=O)=O)c1O ZINC000293837708 512095407 /nfs/dbraw/zinc/09/54/07/512095407.db2.gz GWBAEJPQECHQEV-UHFFFAOYSA-N 0 0 354.859 2.633 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCc1nc(N(C)C)no1 ZINC000275317729 512102757 /nfs/dbraw/zinc/10/27/57/512102757.db2.gz OMBOKASPUHFXNR-UHFFFAOYSA-N 0 0 359.474 2.571 20 10 FFCDRN COc1ccc(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)c(O)c1 ZINC000373658477 512445639 /nfs/dbraw/zinc/44/56/39/512445639.db2.gz GBXCZARTEHLDOB-AWEZNQCLSA-N 0 0 354.406 2.608 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@]3(CCCOC3)C2)c(C)n1-c1ccccn1 ZINC000375927033 512574160 /nfs/dbraw/zinc/57/41/60/512574160.db2.gz JWGKCWIXJYGTDA-HXUWFJFHSA-N 0 0 355.438 2.511 20 10 FFCDRN CN(C)c1ccc(CNc2cccc3c2CCN3S(C)(=O)=O)cc1F ZINC000371892818 512621504 /nfs/dbraw/zinc/62/15/04/512621504.db2.gz AZYWHGWLCYWOMC-UHFFFAOYSA-N 0 0 363.458 2.826 20 10 FFCDRN O=[N+]([O-])c1cnc2ccc(N3CC=C(c4ccc(Cl)nc4)CC3)nn21 ZINC000378397938 512739003 /nfs/dbraw/zinc/73/90/03/512739003.db2.gz FFDCHPOZCYLLFE-UHFFFAOYSA-N 0 0 356.773 2.980 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCOC[C@H]2[C@H]2CCCO2)cc1 ZINC000376286983 512750828 /nfs/dbraw/zinc/75/08/28/512750828.db2.gz BXXAQZFCDAYDOW-RBUKOAKNSA-N 0 0 361.486 2.622 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCOC[C@H]3C)CC2)cc1 ZINC000376532403 512860630 /nfs/dbraw/zinc/86/06/30/512860630.db2.gz LPOVBRFUAWCGFV-SJORKVTESA-N 0 0 361.486 2.590 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H](c2ccccc2)[C@@H]2CCOC2)c1O ZINC000374500264 512860861 /nfs/dbraw/zinc/86/08/61/512860861.db2.gz FFXKEAXMRPOOHD-AEFFLSMTSA-N 0 0 356.422 2.978 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCO[C@@H](c2ncon2)C1 ZINC000368609826 513024417 /nfs/dbraw/zinc/02/44/17/513024417.db2.gz BLBRIJLNAFTMDF-GOSISDBHSA-N 0 0 366.421 2.999 20 10 FFCDRN CC[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000376883857 513031123 /nfs/dbraw/zinc/03/11/23/513031123.db2.gz DLRRXQFJVRKTFW-HOTGVXAUSA-N 0 0 352.862 2.866 20 10 FFCDRN CCOC(=O)[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000416156706 513607134 /nfs/dbraw/zinc/60/71/34/513607134.db2.gz BKCZDXCKEHXENZ-LJQANCHMSA-N 0 0 368.433 2.825 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000416710381 513920030 /nfs/dbraw/zinc/92/00/30/513920030.db2.gz IKYRTKSITFAGCU-CYBMUJFWSA-N 0 0 350.413 2.625 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCOC[C@H]3OC)ccc21 ZINC000452623687 514428499 /nfs/dbraw/zinc/42/84/99/514428499.db2.gz CCSVDLWWEHQWKA-FXAWDEMLSA-N 0 0 374.481 2.686 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000498215766 514809017 /nfs/dbraw/zinc/80/90/17/514809017.db2.gz IBDONXHHNCEYAY-AEFFLSMTSA-N 0 0 371.481 2.549 20 10 FFCDRN CNC(=O)c1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000471591400 514943729 /nfs/dbraw/zinc/94/37/29/514943729.db2.gz VEBGBUXNMFDXBN-UHFFFAOYSA-N 0 0 364.449 2.846 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3n[nH]c(SC)n3)ccc21 ZINC000489955846 515046385 /nfs/dbraw/zinc/04/63/85/515046385.db2.gz JWPJJUQUAQLYJO-UHFFFAOYSA-N 0 0 359.455 2.997 20 10 FFCDRN COCCOc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cn1 ZINC000543852920 516460496 /nfs/dbraw/zinc/46/04/96/516460496.db2.gz OZAGDCBWBLNOQQ-UHFFFAOYSA-N 0 0 372.425 2.604 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCCCC[C@@H]1C(N)=O ZINC000525925140 517236972 /nfs/dbraw/zinc/23/69/72/517236972.db2.gz JMLAKZDYWIYGBU-HOTGVXAUSA-N 0 0 356.470 2.720 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3snnc3C)ccc21 ZINC000552599415 517318211 /nfs/dbraw/zinc/31/82/11/517318211.db2.gz YGCQGIKOAROEKV-UHFFFAOYSA-N 0 0 358.467 2.994 20 10 FFCDRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000520411430 517383602 /nfs/dbraw/zinc/38/36/02/517383602.db2.gz WELDMLXLCJWVDN-UHFFFAOYSA-N 0 0 370.453 2.893 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H](NC(N)=O)c1ccccc1 ZINC000527183976 517548649 /nfs/dbraw/zinc/54/86/49/517548649.db2.gz UFJPTOJDPGPYKS-QGZVFWFLSA-N 0 0 364.449 2.903 20 10 FFCDRN CC[C@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)C[C@]2(CCOC2)O1 ZINC000527228341 517576988 /nfs/dbraw/zinc/57/69/88/517576988.db2.gz UUBQWFUXAFJMBI-KKSFZXQISA-N 0 0 371.481 2.966 20 10 FFCDRN COC1=CC(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)=S=C1 ZINC000564666725 518553939 /nfs/dbraw/zinc/55/39/39/518553939.db2.gz JYUVNVBOFKOSMJ-UHFFFAOYSA-N 0 0 350.465 2.770 20 10 FFCDRN Cn1ccc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)c1 ZINC000573482417 518686808 /nfs/dbraw/zinc/68/68/08/518686808.db2.gz DPRHJQAQRDNKBN-UHFFFAOYSA-N 0 0 350.403 2.958 20 10 FFCDRN CC[C@@H](CSC)N(C)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000577889118 519308639 /nfs/dbraw/zinc/30/86/39/519308639.db2.gz QGPOPCVGMACXNE-AWEZNQCLSA-N 0 0 361.511 2.703 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](Oc1ccccc1)C(C)(C)O ZINC000611649541 521264293 /nfs/dbraw/zinc/26/42/93/521264293.db2.gz JPGIJUJKMFGNLQ-IBGZPJMESA-N 0 0 370.449 2.697 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000007059917 536700714 /nfs/dbraw/zinc/70/07/14/536700714.db2.gz UKCMQMTUYLMPTM-UHFFFAOYSA-N 0 0 360.479 2.823 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000737271161 599104833 /nfs/dbraw/zinc/10/48/33/599104833.db2.gz SKGUHMCCHZPNJN-UHFFFAOYSA-N 0 0 351.414 2.563 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000737271636 599146424 /nfs/dbraw/zinc/14/64/24/599146424.db2.gz XDAGFAQQITTYLJ-UHFFFAOYSA-N 0 0 369.404 2.702 20 10 FFCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)o2)SC(=S)N1C1CCCCC1 ZINC000823504480 599310334 /nfs/dbraw/zinc/31/03/34/599310334.db2.gz QQOKHQHNCJRRBU-WQLSENKSSA-N 0 0 361.452 2.994 20 10 FFCDRN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(F)cc1 ZINC000739794417 600316055 /nfs/dbraw/zinc/31/60/55/600316055.db2.gz ZBOXALPIAVHHFT-INIZCTEOSA-N 0 0 353.777 2.805 20 10 FFCDRN C[C@H]([NH2+]CCC1CCN(C(=O)[O-])CC1)c1ccc(N2CCOCC2)cc1 ZINC000739030443 602051985 /nfs/dbraw/zinc/05/19/85/602051985.db2.gz ANCKELSWWWVPDD-INIZCTEOSA-N 0 0 361.486 2.954 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)cc2C)cc1 ZINC000825415866 607666078 /nfs/dbraw/zinc/66/60/78/607666078.db2.gz DWSAKKOFIUVFHU-UHFFFAOYSA-N 0 0 364.453 2.951 20 10 FFCDRN C[C@H]([NH2+]CC[C@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1 ZINC000825490688 604299462 /nfs/dbraw/zinc/29/94/62/604299462.db2.gz ODGIARIJXJZGRH-DLBZAZTESA-N 0 0 361.486 2.954 20 10 FFCDRN C[N@H+](Cc1cc2c(cc1O)OCO2)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000833694066 604675836 /nfs/dbraw/zinc/67/58/36/604675836.db2.gz ICRLSCKHENMDJF-MRXNPFEDSA-N 0 0 369.295 2.796 20 10 FFCDRN O=C([O-])N1CC[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000831947065 605847139 /nfs/dbraw/zinc/84/71/39/605847139.db2.gz DBZMOQITWMNGMU-CYBMUJFWSA-N 0 0 355.385 2.599 20 10 FFCDRN COc1cc(O)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)[O-])cc1OC ZINC000833888202 605989412 /nfs/dbraw/zinc/98/94/12/605989412.db2.gz WWKVTZDTRXLZKA-PBWFPOADSA-N 0 0 350.415 2.515 20 10 FFCDRN CCc1nnc(NCc2ccc(N(C)C)cc2C)c(-c2nn[nH]n2)c1CC ZINC000821542826 606937663 /nfs/dbraw/zinc/93/76/63/606937663.db2.gz ZQTVKDUOKGWUCZ-UHFFFAOYSA-N 0 0 366.473 2.768 20 10 FFCDRN NC(=O)c1ccc(NC(=O)NCCCSc2nccs2)cc1F ZINC000153515389 728781585 /nfs/dbraw/zinc/78/15/85/728781585.db2.gz HINBUUAEZLOKCL-UHFFFAOYSA-N 0 0 354.432 2.685 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000154823604 728813117 /nfs/dbraw/zinc/81/31/17/728813117.db2.gz VZSCUFQCYJOTRS-CYBMUJFWSA-N 0 0 367.500 2.823 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cnc(C(F)(F)F)nc3)ccc21 ZINC000155620138 728833035 /nfs/dbraw/zinc/83/30/35/728833035.db2.gz ILUIIQVJHJSYQL-UHFFFAOYSA-N 0 0 350.344 2.808 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(Br)cn2C)c1 ZINC000157816921 728877666 /nfs/dbraw/zinc/87/76/66/728877666.db2.gz UZDWJLJWJMVWLB-VIFPVBQESA-N 0 0 353.216 2.993 20 10 FFCDRN CC(C)N1C(=O)CN(CN2CCCc3cc(OC(F)F)ccc32)C1=O ZINC000158858593 728895467 /nfs/dbraw/zinc/89/54/67/728895467.db2.gz AEAXPXSAGCPLJY-UHFFFAOYSA-N 0 0 353.369 2.671 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC(=O)N(CCC(F)(F)F)C1 ZINC000897892121 735290545 /nfs/dbraw/zinc/29/05/45/735290545.db2.gz DTOSKYQWGYRKES-UHFFFAOYSA-N 0 0 374.340 2.507 20 10 FFCDRN Cc1nc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)sc1C ZINC000743558590 735305610 /nfs/dbraw/zinc/30/56/10/735305610.db2.gz AAVRVPHJBZXWEB-UHFFFAOYSA-N 0 0 360.483 2.596 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)c3cncs3)CC2)cc1F ZINC000898211040 735327126 /nfs/dbraw/zinc/32/71/26/735327126.db2.gz UQGOUICSERYKMN-GFCCVEGCSA-N 0 0 364.446 2.884 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cncs1 ZINC000898225101 735330366 /nfs/dbraw/zinc/33/03/66/735330366.db2.gz DOOCUIXXMDDRQN-CQSZACIVSA-N 0 0 360.483 2.882 20 10 FFCDRN CC(C)(C)CNC(=O)C(C)(C)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000898808081 735410107 /nfs/dbraw/zinc/41/01/07/735410107.db2.gz KSMJGXKJQKYUEE-UHFFFAOYSA-N 0 0 364.467 2.983 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC[C@@H](CCO)C1 ZINC000745592006 735431333 /nfs/dbraw/zinc/43/13/33/735431333.db2.gz FQNHVFQQNJAEKH-KRWDZBQOSA-N 0 0 363.527 2.544 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cccc3nsnc32)cc1 ZINC000019105125 727831459 /nfs/dbraw/zinc/83/14/59/727831459.db2.gz ALGNTYONXSKISR-UHFFFAOYSA-N 0 0 362.480 2.578 20 10 FFCDRN CCOc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000041374372 727939866 /nfs/dbraw/zinc/93/98/66/727939866.db2.gz YQOWBUVBFXCUED-UHFFFAOYSA-N 0 0 362.451 2.723 20 10 FFCDRN CC(C)N(CC(F)(F)F)C(=O)CN1CCOc2cc(N(C)C)ccc21 ZINC000746496362 735488717 /nfs/dbraw/zinc/48/87/17/735488717.db2.gz GUWWXYHNUGIVDA-UHFFFAOYSA-N 0 0 359.392 2.751 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)c3ccc(C)s3)C2)cc1 ZINC000062575190 728133311 /nfs/dbraw/zinc/13/33/11/728133311.db2.gz ZMVFCQHLAAINEQ-CQSZACIVSA-N 0 0 366.508 2.870 20 10 FFCDRN C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000065277586 728156459 /nfs/dbraw/zinc/15/64/59/728156459.db2.gz OLZBEMXCTYWOLK-INIZCTEOSA-N 0 0 360.479 2.704 20 10 FFCDRN COc1ccc(N2CCN(Cn3nc(C)n(C4CC4)c3=S)CC2)cc1 ZINC000070698023 728204510 /nfs/dbraw/zinc/20/45/10/728204510.db2.gz RRXRFOOPPSMFNO-UHFFFAOYSA-N 0 0 359.499 2.846 20 10 FFCDRN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H](C)c1ccccc1 ZINC000080101881 728321997 /nfs/dbraw/zinc/32/19/97/728321997.db2.gz FXRLWMNXJIGCKN-CHWSQXEVSA-N 0 0 362.451 2.686 20 10 FFCDRN Cc1cc(C(=O)NCc2csc(N(C)C)n2)c(C)n1-c1ccccn1 ZINC000746864888 735515560 /nfs/dbraw/zinc/51/55/60/735515560.db2.gz CHMUVMSMKHLHNO-UHFFFAOYSA-N 0 0 355.467 2.942 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCC(C)(C)SC)CC2)cc1F ZINC000084891163 728427228 /nfs/dbraw/zinc/42/72/28/728427228.db2.gz JCFDUBFSPJJMHX-UHFFFAOYSA-N 0 0 355.479 2.808 20 10 FFCDRN COc1ccc(N2CCN(Cn3nc(C)sc3=S)CC2)cc1F ZINC000084926041 728427362 /nfs/dbraw/zinc/42/73/62/728427362.db2.gz LGGZKACHQQJQPA-UHFFFAOYSA-N 0 0 354.476 2.910 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000093910638 728478640 /nfs/dbraw/zinc/47/86/40/728478640.db2.gz ITTMLCXOBRKHLS-QGZVFWFLSA-N 0 0 360.435 2.645 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1Cc2ccccc2S1 ZINC000108805572 728522492 /nfs/dbraw/zinc/52/24/92/728522492.db2.gz VQLPNBVMBKXDLJ-IBGZPJMESA-N 0 0 354.475 2.856 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cnc(-c3cnn(C)c3)s2)cc1F ZINC000112173721 728542294 /nfs/dbraw/zinc/54/22/94/728542294.db2.gz BKCGLHCUCSOMSD-UHFFFAOYSA-N 0 0 359.430 2.679 20 10 FFCDRN CCS(=O)(=O)C[C@H](C)NC(=O)c1sccc1-n1c(C)ccc1C ZINC000113234623 728553013 /nfs/dbraw/zinc/55/30/13/728553013.db2.gz VOXGWICRZHCKHV-NSHDSACASA-N 0 0 354.497 2.709 20 10 FFCDRN C[C@H](NC(=O)CSc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000115948860 728568700 /nfs/dbraw/zinc/56/87/00/728568700.db2.gz ZLLXJJZRFPDTIX-HNNXBMFYSA-N 0 0 357.479 2.888 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC000119384127 728593319 /nfs/dbraw/zinc/59/33/19/728593319.db2.gz ASJXERLCMWVDNZ-UHFFFAOYSA-N 0 0 369.468 2.933 20 10 FFCDRN CC(C)(C)c1cc(O)c(O)c(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000122368744 728646628 /nfs/dbraw/zinc/64/66/28/728646628.db2.gz PAFZGLAMPFHSNW-HNNXBMFYSA-N 0 0 353.484 2.547 20 10 FFCDRN Cc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000123962111 728665159 /nfs/dbraw/zinc/66/51/59/728665159.db2.gz BWWDVEUOXVGKKP-UHFFFAOYSA-N 0 0 356.495 2.943 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CCS(C)(=O)=O ZINC000126381852 728700733 /nfs/dbraw/zinc/70/07/33/728700733.db2.gz QULLPHYOTSQYEK-LLVKDONJSA-N 0 0 354.497 2.709 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)c1O ZINC000129881320 728713823 /nfs/dbraw/zinc/71/38/23/728713823.db2.gz CRVRHCRKDWQUBO-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN C[S@@](=O)c1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000132501814 728724706 /nfs/dbraw/zinc/72/47/06/728724706.db2.gz NPRCSZAVAGGRCN-VWLOTQADSA-N 0 0 374.531 2.907 20 10 FFCDRN O=C(NCc1ccccc1O)c1cccc(I)c1 ZINC000133784243 728727839 /nfs/dbraw/zinc/72/78/39/728727839.db2.gz XDLCNDMAGTZGAR-UHFFFAOYSA-N 0 0 353.159 2.927 20 10 FFCDRN O=C(Nc1nncs1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000174132385 729063764 /nfs/dbraw/zinc/06/37/64/729063764.db2.gz BBGRCZKCXJOQLH-JTQLQIEISA-N 0 0 369.397 2.930 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2ccc([S@@](C)=O)c(F)c2)c1 ZINC000175856073 729103038 /nfs/dbraw/zinc/10/30/38/729103038.db2.gz SBOCMFIIHLPQSO-XMMPIXPASA-N 0 0 352.387 2.599 20 10 FFCDRN CCc1ccc(CN2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)s1 ZINC000182482213 729279614 /nfs/dbraw/zinc/27/96/14/729279614.db2.gz KCWOIPRQUZURFZ-UHFFFAOYSA-N 0 0 360.479 2.988 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)c3cc(C)oc3C)CC2)cc1 ZINC000183107136 729295665 /nfs/dbraw/zinc/29/56/65/729295665.db2.gz JCSYAVVDUJBELH-UHFFFAOYSA-N 0 0 364.467 2.806 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000187774353 729381144 /nfs/dbraw/zinc/38/11/44/729381144.db2.gz QYWUWHVVAZGSHD-XVBBPSCPSA-N 0 0 359.344 2.711 20 10 FFCDRN COc1ccc(F)c(C(=O)NCc2ccc(N(C)C)c(F)c2)c1OC ZINC000188339087 729387049 /nfs/dbraw/zinc/38/70/49/729387049.db2.gz QJHJRPCBVQCMPF-UHFFFAOYSA-N 0 0 350.365 2.978 20 10 FFCDRN C[C@@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756586470 736345515 /nfs/dbraw/zinc/34/55/15/736345515.db2.gz SIGVUKYRNAZIPN-SECBINFHSA-N 0 0 359.239 2.990 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 ZINC000193743867 729488535 /nfs/dbraw/zinc/48/85/35/729488535.db2.gz GIDVRYYRVWHHST-LPHOPBHVSA-N 0 0 361.511 2.603 20 10 FFCDRN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000194657902 729517092 /nfs/dbraw/zinc/51/70/92/729517092.db2.gz RQBZNXYPXVDZAG-UHFFFAOYSA-N 0 0 354.815 2.548 20 10 FFCDRN CSC1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000194905178 729524573 /nfs/dbraw/zinc/52/45/73/729524573.db2.gz OLTAVOXOAIBNCE-UHFFFAOYSA-N 0 0 351.541 2.935 20 10 FFCDRN O=C(NC1CCSCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000195469687 729539522 /nfs/dbraw/zinc/53/95/22/729539522.db2.gz XOHBKWXRZWELHR-INIZCTEOSA-N 0 0 350.484 2.978 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)c1ccsc1 ZINC000248143184 729601941 /nfs/dbraw/zinc/60/19/41/729601941.db2.gz UUZVYIVWGQBSTD-UHFFFAOYSA-N 0 0 359.495 2.983 20 10 FFCDRN Cc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)s1 ZINC000254964115 729627961 /nfs/dbraw/zinc/62/79/61/729627961.db2.gz OYPZSPMTYBOABV-JLHYYAGUSA-N 0 0 354.522 2.590 20 10 FFCDRN CC[C@H]1C(=O)N(CC)CCN1Cc1cc(Br)cc(OC)c1O ZINC000779214659 738443866 /nfs/dbraw/zinc/44/38/66/738443866.db2.gz CYRJYHTYRBDZBS-ZDUSSCGKSA-N 0 0 371.275 2.606 20 10 FFCDRN O=C(CSCC(F)(F)F)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856211761 730316149 /nfs/dbraw/zinc/31/61/49/730316149.db2.gz AEMZWTQEWVYSAE-UHFFFAOYSA-N 0 0 362.417 2.559 20 10 FFCDRN CN(CC(=O)NCc1cc(Cl)ccc1O)C(=O)OCc1ccccc1 ZINC000857548510 730399198 /nfs/dbraw/zinc/39/91/98/730399198.db2.gz LYRLSUAWIXJZJD-UHFFFAOYSA-N 0 0 362.813 2.930 20 10 FFCDRN C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000858434719 730425721 /nfs/dbraw/zinc/42/57/21/730425721.db2.gz NOOHHDWGCLNIJS-PRHODGIISA-N 0 0 374.666 2.926 20 10 FFCDRN C[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000858548785 730428541 /nfs/dbraw/zinc/42/85/41/730428541.db2.gz PDLZMIIITTXOAC-MWLCHTKSSA-N 0 0 363.683 2.525 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1([S@](C)=O)CC1 ZINC000861526767 730619441 /nfs/dbraw/zinc/61/94/41/730619441.db2.gz AWONSXPOSZYJPF-VWLOTQADSA-N 0 0 358.463 2.548 20 10 FFCDRN CC1(c2ncc(C(=O)NCc3cc(Cl)ccc3O)s2)OCCO1 ZINC000862130964 730669070 /nfs/dbraw/zinc/66/90/70/730669070.db2.gz PCEURAMVXJPUSJ-UHFFFAOYSA-N 0 0 354.815 2.652 20 10 FFCDRN CCCCN(Cc1cc(F)c(N(C)C)cc1F)[C@H]1CCS(=O)(=O)C1 ZINC000862213956 730676650 /nfs/dbraw/zinc/67/66/50/730676650.db2.gz ZEWUZQWOPLBXGH-AWEZNQCLSA-N 0 0 360.470 2.820 20 10 FFCDRN COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(Br)ccc1O ZINC000862516424 730706055 /nfs/dbraw/zinc/70/60/55/730706055.db2.gz QYTMTUFHTKRIRT-SMDDNHRTSA-N 0 0 372.259 2.603 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@]12CCC[C@H]1OCC2 ZINC000925230081 738491475 /nfs/dbraw/zinc/49/14/75/738491475.db2.gz JWACVKGUONTAIS-CRAIPNDOSA-N 0 0 364.829 2.769 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2c(Br)nc3n2CCCC3)c1 ZINC000862754795 730723222 /nfs/dbraw/zinc/72/32/22/730723222.db2.gz KPJYYESNRRYCQW-UHFFFAOYSA-N 0 0 364.243 2.926 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000862757204 730723757 /nfs/dbraw/zinc/72/37/57/730723757.db2.gz LFJKQYJGXDDBEE-INIZCTEOSA-N 0 0 353.340 2.939 20 10 FFCDRN Cc1cc(CNC(=O)[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000863164289 730753498 /nfs/dbraw/zinc/75/34/98/730753498.db2.gz FDKRBNXZIGXWPX-MRXNPFEDSA-N 0 0 360.479 2.535 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@H](C)C2)c1O ZINC000863739257 730805528 /nfs/dbraw/zinc/80/55/28/730805528.db2.gz JOVGWXHJFXXDGS-SKDRFNHKSA-N 0 0 358.232 2.706 20 10 FFCDRN CO[C@@H](C[C@H]([NH2+]Cc1c(O)cccc1Br)C(=O)[O-])C1CC1 ZINC000864516467 730855681 /nfs/dbraw/zinc/85/56/81/730855681.db2.gz NNYCLKMHRJPBOO-JSGCOSHPSA-N 0 0 358.232 2.513 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C1CSC1 ZINC000864915284 730891002 /nfs/dbraw/zinc/89/10/02/730891002.db2.gz NAKBREJEYXCKTN-UHFFFAOYSA-N 0 0 360.401 2.521 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCn2nccc21 ZINC000865339064 730943594 /nfs/dbraw/zinc/94/35/94/730943594.db2.gz CEHOJRSLFFVYRV-AWEZNQCLSA-N 0 0 360.801 2.541 20 10 FFCDRN O=[N+]([O-])c1cc(F)cnc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000865452985 730956724 /nfs/dbraw/zinc/95/67/24/730956724.db2.gz UHWZZFYLZMENPV-UHFFFAOYSA-N 0 0 350.325 2.717 20 10 FFCDRN Clc1ccc(C2=CCN(c3c4c(nc5ncnn53)CCC4)CC2)cn1 ZINC000865657537 730982618 /nfs/dbraw/zinc/98/26/18/730982618.db2.gz KUZXYLAROXTPMW-UHFFFAOYSA-N 0 0 352.829 2.955 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)nc2F)cc1 ZINC000866418535 731058026 /nfs/dbraw/zinc/05/80/26/731058026.db2.gz KKUZFBVDIHDEDR-UHFFFAOYSA-N 0 0 357.838 2.761 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(F)nc2F)cc1 ZINC000866561010 731073953 /nfs/dbraw/zinc/07/39/53/731073953.db2.gz ZVDDWFGUUJDKRA-UHFFFAOYSA-N 0 0 367.421 2.779 20 10 FFCDRN CC[C@H]([NH2+]CCc1ccc(S(=O)(=O)NC)cc1)c1ccc(F)cc1[O-] ZINC000866576894 731076047 /nfs/dbraw/zinc/07/60/47/731076047.db2.gz BDWTTYONPCRNGO-KRWDZBQOSA-N 0 0 366.458 2.723 20 10 FFCDRN Cc1nc([C@H]2CCOC2)sc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000867301614 731167510 /nfs/dbraw/zinc/16/75/10/731167510.db2.gz CDZSBYVUJKXFCG-GWCFXTLKSA-N 0 0 362.451 2.728 20 10 FFCDRN CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)N[C@H](C)c1ccccc1O ZINC000867834028 731231898 /nfs/dbraw/zinc/23/18/98/731231898.db2.gz CPZRFDDYDCQZCY-CZUORRHYSA-N 0 0 367.442 2.769 20 10 FFCDRN O=C(NCC[C@H]1CCSC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000868824996 731334645 /nfs/dbraw/zinc/33/46/45/731334645.db2.gz SVTLDIPVZGNCPG-INIZCTEOSA-N 0 0 363.527 2.590 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(Cl)n[nH]c3C3CC3)C2)cc1 ZINC000869231593 731377393 /nfs/dbraw/zinc/37/73/93/731377393.db2.gz SLIIXFHFMZPBMS-GFCCVEGCSA-N 0 0 360.845 2.958 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C=C3CCSCC3)CC2)c(OC)c1 ZINC000870165287 731477950 /nfs/dbraw/zinc/47/79/50/731477950.db2.gz SOJKWNOEWBVXRN-UHFFFAOYSA-N 0 0 362.495 2.806 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3(C(F)F)CCC3)CC2)c(OC)c1 ZINC000870166423 731478300 /nfs/dbraw/zinc/47/83/00/731478300.db2.gz NLSYCODFWKSRQW-UHFFFAOYSA-N 0 0 354.397 2.788 20 10 FFCDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)S(=O)(=O)c1ccc(F)cc1 ZINC000871202276 731605711 /nfs/dbraw/zinc/60/57/11/731605711.db2.gz CAXDPMWRJNPVRI-LBPRGKRZSA-N 0 0 363.410 2.626 20 10 FFCDRN [NH3+]C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@H]1C(F)(F)F ZINC000873228278 731893994 /nfs/dbraw/zinc/89/39/94/731893994.db2.gz RKWBZNDLMYCUQI-NXEZZACHSA-N 0 0 353.182 2.724 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)/C=C1/SCC(=O)N1C ZINC000873861320 731973970 /nfs/dbraw/zinc/97/39/70/731973970.db2.gz CIAJWWDPJOFTOX-XDHOZWIPSA-N 0 0 359.495 2.682 20 10 FFCDRN CC(C)(C)Cc1csc(NC(=O)C(=O)N2Cc3cccc(O)c3C2)n1 ZINC000874101205 732010211 /nfs/dbraw/zinc/01/02/11/732010211.db2.gz ZOXAXCPUVPDMNT-UHFFFAOYSA-N 0 0 359.451 2.918 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@H](C(F)(F)F)CC2)cc1F ZINC000875179727 732133672 /nfs/dbraw/zinc/13/36/72/732133672.db2.gz FISDTVSEEXZLMZ-AWEZNQCLSA-N 0 0 363.355 2.755 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCO[C@@H](C(F)F)CC1 ZINC000875374134 732149327 /nfs/dbraw/zinc/14/93/27/732149327.db2.gz DTXXHSDOZCVBMI-SNVBAGLBSA-N 0 0 351.444 2.691 20 10 FFCDRN Cc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cn2)c(O)c1O ZINC000780880613 738585300 /nfs/dbraw/zinc/58/53/00/738585300.db2.gz BUVGGEJFVYMEPM-UHFFFAOYSA-N 0 0 355.316 2.662 20 10 FFCDRN CCN(Cc1cn(C)nc1[N+](=O)[O-])Cc1cc(Br)ccc1O ZINC000876794286 732282102 /nfs/dbraw/zinc/28/21/02/732282102.db2.gz RBTOHETYQLUQLG-UHFFFAOYSA-N 0 0 369.219 2.819 20 10 FFCDRN CC(C)(C)n1cc(C(=O)NCc2ccc(O)c(O)c2)c(Br)n1 ZINC000780984439 738592278 /nfs/dbraw/zinc/59/22/78/738592278.db2.gz LNHYPEOHJKBDEG-UHFFFAOYSA-N 0 0 368.231 2.742 20 10 FFCDRN Cc1cccc(O)c1CNc1ccc(F)c(N2CCCS2(=O)=O)c1 ZINC000876870016 732289761 /nfs/dbraw/zinc/28/97/61/732289761.db2.gz GBXKSQAKNWVSCK-UHFFFAOYSA-N 0 0 350.415 2.992 20 10 FFCDRN Nc1ncc(CCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000876872767 732290014 /nfs/dbraw/zinc/29/00/14/732290014.db2.gz MJDCUGJWAPXUOT-AWEZNQCLSA-N 0 0 361.467 2.571 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000877479465 732369871 /nfs/dbraw/zinc/36/98/71/732369871.db2.gz VYGNCUHFGAKDFO-UHFFFAOYSA-N 0 0 351.200 2.611 20 10 FFCDRN [O-]c1c(C[NH2+]CC2(OCCO)CCC(F)(F)CC2)ccc(F)c1F ZINC000877652714 732406196 /nfs/dbraw/zinc/40/61/96/732406196.db2.gz MEZQKWJOGOIAEN-UHFFFAOYSA-N 0 0 351.340 2.717 20 10 FFCDRN COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C2 ZINC000877724717 732419828 /nfs/dbraw/zinc/41/98/28/732419828.db2.gz UEWAKVNHRSPXQD-WQGACYEGSA-N 0 0 354.244 2.894 20 10 FFCDRN CSc1nccnc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000878780454 732592669 /nfs/dbraw/zinc/59/26/69/732592669.db2.gz LOCXACPRUMYWOU-CQSZACIVSA-N 0 0 359.451 2.726 20 10 FFCDRN Cc1nn(C)c(NC(=O)NCc2cc(C)ccc2O)c1Br ZINC000879704337 732754871 /nfs/dbraw/zinc/75/48/71/732754871.db2.gz PEZHKMHRLBINQN-UHFFFAOYSA-N 0 0 353.220 2.827 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1O ZINC000880016417 732821074 /nfs/dbraw/zinc/82/10/74/732821074.db2.gz PBWCPUIGTPEMAF-CALCHBBNSA-N 0 0 371.886 2.505 20 10 FFCDRN C[C@@H](NS(=O)(=O)C[C@@]1(C)CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000881813237 733113736 /nfs/dbraw/zinc/11/37/36/733113736.db2.gz YERUXSBOUSBDGS-CZUORRHYSA-N 0 0 374.453 2.549 20 10 FFCDRN C[C@H]([NH2+]C[C@@H](O)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000927136758 738695491 /nfs/dbraw/zinc/69/54/91/738695491.db2.gz SBLTUNHGZHJHGL-ISVAXAHUSA-N 0 0 374.666 2.926 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCOC[C@@H]1CCOC1 ZINC000883016506 733321110 /nfs/dbraw/zinc/32/11/10/733321110.db2.gz BMTOXMOKTWDROD-NSHDSACASA-N 0 0 362.239 2.827 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCOC[C@H]1CCOC1 ZINC000883016505 733321193 /nfs/dbraw/zinc/32/11/93/733321193.db2.gz BMTOXMOKTWDROD-LLVKDONJSA-N 0 0 362.239 2.827 20 10 FFCDRN O=C1[C@@H]([NH2+]Cc2cc(F)cc(F)c2[O-])CCN1Cc1ccc(F)cc1 ZINC000883102041 733333465 /nfs/dbraw/zinc/33/34/65/733333465.db2.gz DKOQLXGADNYFNH-INIZCTEOSA-N 0 0 350.340 2.700 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](CO)[C@H]1CCOC1 ZINC000883109636 733335244 /nfs/dbraw/zinc/33/52/44/733335244.db2.gz YSBXUZZIESKXKK-ONGXEEELSA-N 0 0 364.667 2.543 20 10 FFCDRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000883119779 733337719 /nfs/dbraw/zinc/33/77/19/733337719.db2.gz KHJCOFMZJSLQHW-RKDXNWHRSA-N 0 0 370.425 2.837 20 10 FFCDRN O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000883197828 733349538 /nfs/dbraw/zinc/34/95/38/733349538.db2.gz UCLXDLHMGHQIAA-CTYIDZIISA-N 0 0 353.390 2.765 20 10 FFCDRN O=[N+]([O-])c1cc(CN[C@@H](CCO)C(F)(F)F)ccc1N1CCCCC1 ZINC000886371247 733778196 /nfs/dbraw/zinc/77/81/96/733778196.db2.gz HUUJXGBQDSPPJT-HNNXBMFYSA-N 0 0 361.364 2.988 20 10 FFCDRN COc1ccc(O)c([C@@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000782951135 738767488 /nfs/dbraw/zinc/76/74/88/738767488.db2.gz UUQWKEBJBXKJRQ-MRVPVSSYSA-N 0 0 372.424 2.947 20 10 FFCDRN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890757894 734336382 /nfs/dbraw/zinc/33/63/82/734336382.db2.gz MFDQIAKQSJBDCU-GWCFXTLKSA-N 0 0 356.875 2.609 20 10 FFCDRN NC(=O)c1ccc(NC(=S)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000726467383 734428102 /nfs/dbraw/zinc/42/81/02/734428102.db2.gz WDDBTAVGMDZPSC-UHFFFAOYSA-N 0 0 365.802 2.661 20 10 FFCDRN COCc1nc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cs1 ZINC000726561998 734434775 /nfs/dbraw/zinc/43/47/75/734434775.db2.gz CEJCPBSIMKTGAM-UHFFFAOYSA-N 0 0 361.467 2.697 20 10 FFCDRN CN(C)c1ccc(CNc2nc(N)nc(C(F)(F)C(F)(F)F)n2)cc1 ZINC000891577312 734447779 /nfs/dbraw/zinc/44/77/79/734447779.db2.gz BLOATSACYFKBPY-UHFFFAOYSA-N 0 0 362.306 2.786 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2cc(C(F)(F)F)n(C)n2)cc1 ZINC000891608934 734451724 /nfs/dbraw/zinc/45/17/24/734451724.db2.gz YKOMMEORBHVBSQ-UHFFFAOYSA-N 0 0 355.364 2.504 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C/c2csc(-c3ccsc3)n2)SC1=S ZINC000727175654 734470065 /nfs/dbraw/zinc/47/00/65/734470065.db2.gz DMNRAUIGWQWTIK-OQFOIZHKSA-N 0 0 367.502 2.558 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000729286393 734569493 /nfs/dbraw/zinc/56/94/93/734569493.db2.gz PBRMCKCNWZZGMH-CVEARBPZSA-N 0 0 361.511 2.995 20 10 FFCDRN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000730078933 734613526 /nfs/dbraw/zinc/61/35/26/734613526.db2.gz 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/nfs/dbraw/zinc/73/72/03/734737203.db2.gz NAKWPYZHHZRVDP-ZDUSSCGKSA-N 0 0 363.435 2.895 20 10 FFCDRN COc1cc(C)cc(CNc2cccc(OCCS(C)(=O)=O)c2)c1O ZINC000894122063 734804906 /nfs/dbraw/zinc/80/49/06/734804906.db2.gz CZLZVTARCHDRNL-UHFFFAOYSA-N 0 0 365.451 2.745 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3csc4cncn43)CC2)cc1 ZINC000733891388 734856851 /nfs/dbraw/zinc/85/68/51/734856851.db2.gz OZNABZRKIYDUBD-UHFFFAOYSA-N 0 0 356.451 2.757 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Cc2cc(Cl)c3c(c2)OCCO3)c1 ZINC000734016212 734867673 /nfs/dbraw/zinc/86/76/73/734867673.db2.gz HVZZGNNZYUOUOU-UHFFFAOYSA-N 0 0 363.797 2.684 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cc(F)c(F)cc1F ZINC000734499323 734899814 /nfs/dbraw/zinc/89/98/14/734899814.db2.gz AWOAGPGRJCZKMD-UHFFFAOYSA-N 0 0 358.385 2.957 20 10 FFCDRN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)C1=CC(=O)CS1 ZINC000735520023 734949799 /nfs/dbraw/zinc/94/97/99/734949799.db2.gz JHMGDIWDRORNSW-UHFFFAOYSA-N 0 0 355.362 2.937 20 10 FFCDRN CCOC(=O)c1ncc(Br)c(N[C@@H](C)c2ccccc2O)n1 ZINC000895029779 734955096 /nfs/dbraw/zinc/95/50/96/734955096.db2.gz RLJBHWHWMYOTDK-VIFPVBQESA-N 0 0 366.215 2.716 20 10 FFCDRN CN(C)c1cc(F)c(CNCc2cnc(Br)cn2)cc1F ZINC000895406982 735001289 /nfs/dbraw/zinc/00/12/89/735001289.db2.gz JKPVTUOBBBZHBA-UHFFFAOYSA-N 0 0 357.202 2.873 20 10 FFCDRN C[S@](=O)CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000737292938 735005942 /nfs/dbraw/zinc/00/59/42/735005942.db2.gz HSRKWXVENKZSTN-VWLOTQADSA-N 0 0 358.423 2.535 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cc(Cl)ccc1[N+](=O)[O-] ZINC000739426005 735051276 /nfs/dbraw/zinc/05/12/76/735051276.db2.gz RUSWKGUWBXCASL-XYOKQWHBSA-N 0 0 353.787 2.551 20 10 FFCDRN O=C(CCNC(=O)c1cc2cc(O)c(O)cc2s1)NC1CCCCC1 ZINC000895812466 735058326 /nfs/dbraw/zinc/05/83/26/735058326.db2.gz QNQWHBULEOLECO-UHFFFAOYSA-N 0 0 362.451 2.881 20 10 FFCDRN C[C@@H]1CSCCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000895875854 735068683 /nfs/dbraw/zinc/06/86/83/735068683.db2.gz ABBPVHBQGDMRSQ-OAHLLOKOSA-N 0 0 363.527 2.685 20 10 FFCDRN NC(=O)c1ccc(NC(=S)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000740629717 735079879 /nfs/dbraw/zinc/07/98/79/735079879.db2.gz JDBNHNKWENHQKP-UHFFFAOYSA-N 0 0 352.463 2.648 20 10 FFCDRN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)N1CCCC[C@@H]1C ZINC000896080596 735098832 /nfs/dbraw/zinc/09/88/32/735098832.db2.gz BXQPBKIDETZEKD-QWRGUYRKSA-N 0 0 362.451 2.832 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(OCC(F)F)cc1 ZINC000741847937 735165106 /nfs/dbraw/zinc/16/51/06/735165106.db2.gz KBROFQXWLQKRPV-LCYFTJDESA-N 0 0 354.378 2.633 20 10 FFCDRN COCC(C)(C)c1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000896575560 735175465 /nfs/dbraw/zinc/17/54/65/735175465.db2.gz QBFYMBUHRKVGBQ-UHFFFAOYSA-N 0 0 357.435 2.877 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC2(CCOCC2)O1 ZINC000896710551 735180968 /nfs/dbraw/zinc/18/09/68/735180968.db2.gz FPZQGIQLWJZMPS-ZDUSSCGKSA-N 0 0 354.834 2.573 20 10 FFCDRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897441128 735235110 /nfs/dbraw/zinc/23/51/10/735235110.db2.gz QQQXMBHXOODFDJ-SECBINFHSA-N 0 0 350.440 2.688 20 10 FFCDRN Cc1csc(=O)n1CCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742475611 735239510 /nfs/dbraw/zinc/23/95/10/735239510.db2.gz HJFUZRBRDGGAPV-UHFFFAOYSA-N 0 0 359.495 2.915 20 10 FFCDRN COC(=O)c1cnc(SC[C@@H](O)CCOCc2ccccc2)s1 ZINC000899885679 735565503 /nfs/dbraw/zinc/56/55/03/735565503.db2.gz BXCLPZMVSUZPJD-ZDUSSCGKSA-N 0 0 353.465 2.990 20 10 FFCDRN COC(=O)c1cnc(SC[C@H](O)CC[C@@H](O)c2ccccc2)s1 ZINC000899888192 735566121 /nfs/dbraw/zinc/56/61/21/735566121.db2.gz ZKJKIMHFTLHXQJ-CHWSQXEVSA-N 0 0 353.465 2.897 20 10 FFCDRN Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)sn1 ZINC000749239585 735707210 /nfs/dbraw/zinc/70/72/10/735707210.db2.gz GFRBSEXBRNPVHK-UHFFFAOYSA-N 0 0 350.419 2.749 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)C(F)(F)C(F)F)cc2F)C[C@H](C)O1 ZINC000749354764 735716595 /nfs/dbraw/zinc/71/65/95/735716595.db2.gz XGTKDZVODKQPAV-UWVGGRQHSA-N 0 0 366.330 2.956 20 10 FFCDRN CCCCS(=O)(=O)CC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000930296871 739083803 /nfs/dbraw/zinc/08/38/03/739083803.db2.gz RUUZMUYSIZWTHC-UHFFFAOYSA-N 0 0 354.516 2.705 20 10 FFCDRN CC(C)(CCS(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1)C1CC1 ZINC000901593900 735800590 /nfs/dbraw/zinc/80/05/90/735800590.db2.gz BLGNPEVEDYQSHR-UHFFFAOYSA-N 0 0 360.501 2.626 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cncn2CC)cc1 ZINC000751241272 735856774 /nfs/dbraw/zinc/85/67/74/735856774.db2.gz UTYFVHFEPNLTMZ-UHFFFAOYSA-N 0 0 350.488 2.570 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)OCc3nnc(C4CC4)o3)cs2)cc1 ZINC000751932022 735937107 /nfs/dbraw/zinc/93/71/07/735937107.db2.gz RLLJPIRDTORUHX-UHFFFAOYSA-N 0 0 356.407 2.934 20 10 FFCDRN Cc1cc(C(=O)O[C@@H]2CC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccccn1 ZINC000752205971 735966210 /nfs/dbraw/zinc/96/62/10/735966210.db2.gz GMFUBOHVZVLWAR-HUUCEWRRSA-N 0 0 362.451 2.612 20 10 FFCDRN COc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)nc1 ZINC000752826139 736016219 /nfs/dbraw/zinc/01/62/19/736016219.db2.gz LMHSEUMCLWFIBV-UHFFFAOYSA-N 0 0 358.467 2.965 20 10 FFCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CC(F)C1 ZINC000753072796 736035527 /nfs/dbraw/zinc/03/55/27/736035527.db2.gz RVSFUILGXCKQHE-GHXNOFRVSA-N 0 0 370.496 2.910 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)NCc2ncc(Br)cn2)c1 ZINC000903320313 736074845 /nfs/dbraw/zinc/07/48/45/736074845.db2.gz FEEQDJABSDYKQV-VIFPVBQESA-N 0 0 366.215 2.582 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1c([O-])cccc1F ZINC000903435051 736094740 /nfs/dbraw/zinc/09/47/40/736094740.db2.gz BRVTUNXASOEDPL-ZJUUUORDSA-N 0 0 352.797 2.610 20 10 FFCDRN O=C(/C=C/c1cncc(F)c1)N1CCOc2ncc(Br)cc21 ZINC000754807858 736201413 /nfs/dbraw/zinc/20/14/13/736201413.db2.gz JFVBDMDAXJCRTR-OWOJBTEDSA-N 0 0 364.174 2.817 20 10 FFCDRN O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)C12CCC2 ZINC000904238818 736237272 /nfs/dbraw/zinc/23/72/72/736237272.db2.gz FPCSXZJCKREKKG-CHWSQXEVSA-N 0 0 355.232 2.823 20 10 FFCDRN CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756446515 736331919 /nfs/dbraw/zinc/33/19/19/736331919.db2.gz RIUXUHNIQHMULL-NSHDSACASA-N 0 0 370.421 2.570 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](O)COCC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000756510420 736337524 /nfs/dbraw/zinc/33/75/24/736337524.db2.gz HYFIZRAATUACBD-MWLCHTKSSA-N 0 0 362.239 2.732 20 10 FFCDRN C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000756563235 736343691 /nfs/dbraw/zinc/34/36/91/736343691.db2.gz MKYCPEDGMGJEJP-GHMZBOCLSA-N 0 0 362.239 2.998 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C(F)(F)c3nccs3)CC2)cc1F ZINC000756841384 736365949 /nfs/dbraw/zinc/36/59/49/736365949.db2.gz OQBITCUQQAOEBG-UHFFFAOYSA-N 0 0 371.384 2.731 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC2COC(C)(C)OC2)cc1F ZINC000758471926 736492782 /nfs/dbraw/zinc/49/27/82/736492782.db2.gz GKCOTPHUYXGQHO-UHFFFAOYSA-N 0 0 353.438 2.623 20 10 FFCDRN CCc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(C)nn1 ZINC000759370820 736565063 /nfs/dbraw/zinc/56/50/63/736565063.db2.gz QNZAVGKRYBYONY-UHFFFAOYSA-N 0 0 356.495 2.831 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1cccc2c1OCO2 ZINC000759567611 736577782 /nfs/dbraw/zinc/57/77/82/736577782.db2.gz IRHBOWXXKFJARR-UHFFFAOYSA-N 0 0 351.453 2.853 20 10 FFCDRN COc1ccc([C@H](O)CNC(=O)NCCCSc2nccs2)cc1 ZINC000759586753 736578875 /nfs/dbraw/zinc/57/88/75/736578875.db2.gz UBBICAPWCPMQKI-CQSZACIVSA-N 0 0 367.496 2.667 20 10 FFCDRN COC(=O)CC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759603431 736580458 /nfs/dbraw/zinc/58/04/58/736580458.db2.gz XAFRFAFYWJKADJ-UHFFFAOYSA-N 0 0 357.501 2.610 20 10 FFCDRN CC(=O)N[C@H]1Cc2ccccc2N(C(=O)/C=C\c2ccc(Cl)nc2)C1 ZINC000759666392 736584980 /nfs/dbraw/zinc/58/49/80/736584980.db2.gz XJFMBPOSKNNLBI-GQSKFBFOSA-N 0 0 355.825 2.842 20 10 FFCDRN COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000760014936 736610291 /nfs/dbraw/zinc/61/02/91/736610291.db2.gz GTEPYFVCZQQZDG-ZDUSSCGKSA-N 0 0 367.442 2.802 20 10 FFCDRN CCOC(CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)OCC ZINC000760998007 736686659 /nfs/dbraw/zinc/68/66/59/736686659.db2.gz MXXSNMANCNXCEA-UHFFFAOYSA-N 0 0 370.833 2.599 20 10 FFCDRN O=C1CN(C2CCCC2)C(=O)N1Cc1ccc(N2CCSCC2)cc1 ZINC000761097547 736695504 /nfs/dbraw/zinc/69/55/04/736695504.db2.gz JHGKCEVXZCORNZ-UHFFFAOYSA-N 0 0 359.495 2.947 20 10 FFCDRN C[C@H]1CC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C[C@H](C)O1 ZINC000761350234 736725971 /nfs/dbraw/zinc/72/59/71/736725971.db2.gz KFBZJGWGCIQJSA-QWRGUYRKSA-N 0 0 352.818 2.766 20 10 FFCDRN CCCN(CC(C)(C)O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000762271483 736809928 /nfs/dbraw/zinc/80/99/28/736809928.db2.gz LIRUMZDOPFXJPH-UHFFFAOYSA-N 0 0 365.543 2.932 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000762583241 736840696 /nfs/dbraw/zinc/84/06/96/736840696.db2.gz WQKIBNVPDWZMJV-BZUAXINKSA-N 0 0 351.541 2.931 20 10 FFCDRN CN(C)c1ccc(CN2CCN(c3nc(F)c(F)cc3F)CC2)cc1 ZINC000763619885 736953642 /nfs/dbraw/zinc/95/36/42/736953642.db2.gz OTWUGNSQDWKEOX-UHFFFAOYSA-N 0 0 350.388 2.887 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000765422286 737117446 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CC(C)[C@@](C)(O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000771377531 737719687 /nfs/dbraw/zinc/71/96/87/737719687.db2.gz DRTUJQOUUCHVHW-SCLBCKFNSA-N 0 0 356.413 2.780 20 10 FFCDRN COc1cccc(S(=O)(=O)CCN2CCCc3cc(OC)ccc32)c1 ZINC000771619795 737742576 /nfs/dbraw/zinc/74/25/76/737742576.db2.gz QBMILUABMJRTSR-UHFFFAOYSA-N 0 0 361.463 2.930 20 10 FFCDRN Cc1cc(C(=O)N2CCn3ncnc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000771629017 737743194 /nfs/dbraw/zinc/74/31/94/737743194.db2.gz QNEXDMLDURMISC-UHFFFAOYSA-N 0 0 355.829 2.995 20 10 FFCDRN COc1cccnc1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000771800615 737757103 /nfs/dbraw/zinc/75/71/03/737757103.db2.gz IJQOGKRYNRXFBO-UHFFFAOYSA-N 0 0 358.467 2.965 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCCCc2ccccc2)c1 ZINC000772041487 737778935 /nfs/dbraw/zinc/77/89/35/737778935.db2.gz CMCRDFPPJWDKSO-UHFFFAOYSA-N 0 0 363.435 2.943 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc[nH]c(=O)c1Br ZINC000772281228 737799148 /nfs/dbraw/zinc/79/91/48/737799148.db2.gz BHFCEAFECDPQOB-UHFFFAOYSA-N 0 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737899941 /nfs/dbraw/zinc/89/99/41/737899941.db2.gz GHVVALMWKLSMOM-OCCSQVGLSA-N 0 0 358.408 2.749 20 10 FFCDRN CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H](C)CS(=O)(=O)CC ZINC000773622856 737924458 /nfs/dbraw/zinc/92/44/58/737924458.db2.gz IEZKAPUQSNSBBK-CABCVRRESA-N 0 0 369.531 2.668 20 10 FFCDRN CC(C)CN1C(=O)C(=CN[C@@H](C)c2cccc(Cl)c2)C(=O)NC1=S ZINC000920980366 737937858 /nfs/dbraw/zinc/93/78/58/737937858.db2.gz KSMDGRFSPWLAMM-KYJZABPNSA-N 0 0 365.886 2.774 20 10 FFCDRN Cc1nc([C@@H]2CCN(C(=O)NCCCSc3nccs3)C2)no1 ZINC000921446437 737985984 /nfs/dbraw/zinc/98/59/84/737985984.db2.gz ISRLPNAGPQOOMO-LLVKDONJSA-N 0 0 353.473 2.516 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000774547822 737999995 /nfs/dbraw/zinc/99/99/95/737999995.db2.gz FCVDFAVLAPHUCW-CYBMUJFWSA-N 0 0 359.857 2.900 20 10 FFCDRN CCOC(=O)C1(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCCC1 ZINC000775115194 738063444 /nfs/dbraw/zinc/06/34/44/738063444.db2.gz HTMJAHAUSRUFND-UHFFFAOYSA-N 0 0 352.387 2.522 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3ccn(C(F)F)n3)CC2)cc1 ZINC000775695033 738113827 /nfs/dbraw/zinc/11/38/27/738113827.db2.gz DKOWNMAUZXOQBL-UHFFFAOYSA-N 0 0 350.369 2.686 20 10 FFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]CC1(O)CCC2(CC1)OCCO2 ZINC000922623485 738175331 /nfs/dbraw/zinc/17/53/31/738175331.db2.gz IFMHTHOJEFBWKI-UHFFFAOYSA-N 0 0 362.253 2.837 20 10 FFCDRN Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000922716675 738191255 /nfs/dbraw/zinc/19/12/55/738191255.db2.gz RCPJYQASUXPFDZ-UHFFFAOYSA-N 0 0 364.711 2.996 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2c(Cl)cccc2S(C)(=O)=O)cc1 ZINC000777839531 738324302 /nfs/dbraw/zinc/32/43/02/738324302.db2.gz MGWALKHPAYQILO-UHFFFAOYSA-N 0 0 366.870 2.740 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)Nc2ccccc2Cl)cc1 ZINC000784556277 738903153 /nfs/dbraw/zinc/90/31/53/738903153.db2.gz IWGDOTYFUDSNFJ-UHFFFAOYSA-N 0 0 362.813 2.967 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)N(C)[C@@H](C)CC(C)C)cc1 ZINC000784567417 738904094 /nfs/dbraw/zinc/90/40/94/738904094.db2.gz YDHHDEXCPFDJMN-HNNXBMFYSA-N 0 0 350.459 2.568 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@H](CO)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000787474958 739140188 /nfs/dbraw/zinc/14/01/88/739140188.db2.gz KDBLBVZQHQEMLL-DYVFJYSZSA-N 0 0 362.857 2.969 20 10 FFCDRN CCn1cccc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])c1=O ZINC000788524926 739254442 /nfs/dbraw/zinc/25/44/42/739254442.db2.gz ZFSLNTAEQACNPT-UHFFFAOYSA-N 0 0 351.244 2.935 20 10 FFCDRN CSCC[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788931362 739299911 /nfs/dbraw/zinc/29/99/11/739299911.db2.gz DSXISJIQPJIRBK-OAHLLOKOSA-N 0 0 363.527 2.503 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(Cl)nc1C ZINC000789506578 739360853 /nfs/dbraw/zinc/36/08/53/739360853.db2.gz IZDTUVJVTFLQDI-UHFFFAOYSA-N 0 0 360.845 2.673 20 10 FFCDRN CCCCC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)OC ZINC000789574672 739369339 /nfs/dbraw/zinc/36/93/39/739369339.db2.gz FBZOVFSOAXAQEU-QGZVFWFLSA-N 0 0 352.450 2.874 20 10 FFCDRN C[C@H]1CCC[C@@]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)(C(=O)[O-])C1 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CN(C)c1ccc(CN[C@@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000793266609 739760453 /nfs/dbraw/zinc/76/04/53/739760453.db2.gz PYELLSXRYKOWCZ-MRXNPFEDSA-N 0 0 362.271 2.831 20 10 FFCDRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2F)c(C)cc1F ZINC000793414237 739778916 /nfs/dbraw/zinc/77/89/16/739778916.db2.gz BNVLIKWRGYFKGW-UHFFFAOYSA-N 0 0 357.334 2.566 20 10 FFCDRN Cc1ccc([C@H](C)NC(=O)C(=O)NCCCSc2nccs2)s1 ZINC000793848218 739820314 /nfs/dbraw/zinc/82/03/14/739820314.db2.gz KGSBNJOAHVDXJW-NSHDSACASA-N 0 0 369.537 2.989 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/c1cn(C)cn1 ZINC000934721892 739826803 /nfs/dbraw/zinc/82/68/03/739826803.db2.gz PMDDAMFPCJKSRN-FNORWQNLSA-N 0 0 364.243 2.950 20 10 FFCDRN COc1ccc(CNC(=O)c2cn(-c3ccc(Cl)cc3)nn2)c(O)c1 ZINC000794370968 739884436 /nfs/dbraw/zinc/88/44/36/739884436.db2.gz TWGIQCWEWFMPLL-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN COc1ccc(CNC(=O)c2cccc(S(=O)(=O)C(C)C)c2)c(O)c1 ZINC000794380609 739884835 /nfs/dbraw/zinc/88/48/35/739884835.db2.gz FIBKFFSQMSJELI-UHFFFAOYSA-N 0 0 363.435 2.513 20 10 FFCDRN O=C1/C(=C\c2ccc3c(c2)NC(=O)CO3)SC(=S)N1c1cccnc1 ZINC000794931032 739943895 /nfs/dbraw/zinc/94/38/95/739943895.db2.gz INOMBQQRKPLWTH-VGOFMYFVSA-N 0 0 369.427 2.818 20 10 FFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000796517715 740149533 /nfs/dbraw/zinc/14/95/33/740149533.db2.gz ZNZMFUNDTJRORB-LBPRGKRZSA-N 0 0 356.747 2.537 20 10 FFCDRN CC[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(F)cc1[O-] ZINC000796840519 740189274 /nfs/dbraw/zinc/18/92/74/740189274.db2.gz ZCENFSLDWDSBNR-CQSZACIVSA-N 0 0 372.487 2.954 20 10 FFCDRN COc1cc(NS(=O)(=O)c2ccc(OC)c3ncccc23)ccc1O ZINC000797819728 740275919 /nfs/dbraw/zinc/27/59/19/740275919.db2.gz PQFYDXSLDBHMSZ-UHFFFAOYSA-N 0 0 360.391 2.758 20 10 FFCDRN CCOC(=O)[C@@H]1CSCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000798259107 740317619 /nfs/dbraw/zinc/31/76/19/740317619.db2.gz KQEPNFCMTGFJJW-HNNXBMFYSA-N 0 0 359.451 2.567 20 10 FFCDRN CCn1ncc(NC(=O)NCCc2ccc(O)c(O)c2)c1C(F)(F)F ZINC000799237138 740401838 /nfs/dbraw/zinc/40/18/38/740401838.db2.gz PSFIPPPEUDQRIL-UHFFFAOYSA-N 0 0 358.320 2.697 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC2([S@@](C)=O)CC2)cc1 ZINC000799404138 740416439 /nfs/dbraw/zinc/41/64/39/740416439.db2.gz SVAUJNJGCMCOJW-XMMPIXPASA-N 0 0 351.516 2.585 20 10 FFCDRN C[C@]1(CNC(=O)C2=CC(=O)CS2)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000799847329 740458045 /nfs/dbraw/zinc/45/80/45/740458045.db2.gz LIIXHRHJYGCDOW-MRXNPFEDSA-N 0 0 366.464 2.503 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCNC(=O)C3)cc2Cl)C1 ZINC000800048437 740478248 /nfs/dbraw/zinc/47/82/48/740478248.db2.gz BCKDSPQFSMGUMZ-UKRRQHHQSA-N 0 0 363.889 2.719 20 10 FFCDRN COC(=O)N(C)CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800049792 740478306 /nfs/dbraw/zinc/47/83/06/740478306.db2.gz WCJZRXANLUHRKT-CYBMUJFWSA-N 0 0 367.877 2.891 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCCCOC(F)F)CC2)cc1 ZINC000801071811 740583088 /nfs/dbraw/zinc/58/30/88/740583088.db2.gz WOYCDVJHEACGNB-UHFFFAOYSA-N 0 0 357.401 2.593 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H](OC(F)F)C1 ZINC000801994214 740669654 /nfs/dbraw/zinc/66/96/54/740669654.db2.gz XEIFNWIPBDGJQC-HNNXBMFYSA-N 0 0 371.453 2.763 20 10 FFCDRN COc1ccc(CNC(=O)c2cc(Br)c(=O)[nH]c2C)c(O)c1 ZINC000803292247 740785283 /nfs/dbraw/zinc/78/52/83/740785283.db2.gz MZFYFBNCTCPUBZ-UHFFFAOYSA-N 0 0 367.199 2.502 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)C(F)(F)C1(O)CCCC1 ZINC000804733553 740900234 /nfs/dbraw/zinc/90/02/34/740900234.db2.gz SSELQIVRXIRGOI-UHFFFAOYSA-N 0 0 364.186 2.711 20 10 FFCDRN CCc1cc(C(=O)NCc2cc(Br)ccc2O)cc(=O)[nH]1 ZINC000804739418 740901805 /nfs/dbraw/zinc/90/18/05/740901805.db2.gz FXJVRJXFHLIVBN-UHFFFAOYSA-N 0 0 351.200 2.748 20 10 FFCDRN CCC(=O)N1CCCC[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000804739943 740902230 /nfs/dbraw/zinc/90/22/30/740902230.db2.gz ZVDHYQIAWZGKPC-CYBMUJFWSA-N 0 0 369.259 2.562 20 10 FFCDRN CN(C)c1ccnc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804739856 740902279 /nfs/dbraw/zinc/90/22/79/740902279.db2.gz VUTUBPCWTUQGFQ-UHFFFAOYSA-N 0 0 350.216 2.546 20 10 FFCDRN CC(C)(C)OC(=O)CCNC(=O)NCc1cc(Br)ccc1O ZINC000805148786 740946093 /nfs/dbraw/zinc/94/60/93/740946093.db2.gz MGYHVABWJHUEKV-UHFFFAOYSA-N 0 0 373.247 2.686 20 10 FFCDRN C[C@@H](Cc1ccncc1)NC(=O)NCc1cc(Br)ccc1O ZINC000805172927 740947354 /nfs/dbraw/zinc/94/73/54/740947354.db2.gz SYLOFMRDTISIFX-NSHDSACASA-N 0 0 364.243 2.980 20 10 FFCDRN CO[C@@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)C1(C)C ZINC000805179141 740947663 /nfs/dbraw/zinc/94/76/63/740947663.db2.gz SGQHULORYBFDAG-QWHCGFSZSA-N 0 0 357.248 2.767 20 10 FFCDRN Cc1cccc(F)c1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000806275496 741048991 /nfs/dbraw/zinc/04/89/91/741048991.db2.gz IVHFRWCEFRQPPG-UHFFFAOYSA-N 0 0 367.471 2.505 20 10 FFCDRN CCNC(=O)C[C@@H]1CCCCN1C(=O)NCCCSc1nccs1 ZINC000806959236 741098384 /nfs/dbraw/zinc/09/83/84/741098384.db2.gz RQNLXBYYAVLHFS-ZDUSSCGKSA-N 0 0 370.544 2.716 20 10 FFCDRN CCc1ccc(NC(=O)C(=O)NCc2ccc(OC)cc2O)cc1Cl ZINC000807070158 741108246 /nfs/dbraw/zinc/10/82/46/741108246.db2.gz REFBBQNNVYIMDD-UHFFFAOYSA-N 0 0 362.813 2.872 20 10 FFCDRN C[C@H](NC(=O)C(=O)N(C)CCc1cccs1)c1ccc(N(C)C)cc1 ZINC000807671878 741147953 /nfs/dbraw/zinc/14/79/53/741147953.db2.gz UIOJGZACBKBULQ-AWEZNQCLSA-N 0 0 359.495 2.692 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@H](SC)C1 ZINC000807761793 741155679 /nfs/dbraw/zinc/15/56/79/741155679.db2.gz UCFZVXRQEGOLPH-RDJZCZTQSA-N 0 0 363.527 2.501 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1csc(-c2cc(Br)cs2)n1 ZINC000808507430 741230720 /nfs/dbraw/zinc/23/07/20/741230720.db2.gz MAFBKXSUYKJRHW-UHFFFAOYSA-N 0 0 374.237 2.949 20 10 FFCDRN CC(=O)C(=O)COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000808526822 741232471 /nfs/dbraw/zinc/23/24/71/741232471.db2.gz VCPBLTIWNXZBRW-KBPBESRZSA-N 0 0 355.431 2.551 20 10 FFCDRN Cc1cc(Br)cc(C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)c1O ZINC000809700316 741333767 /nfs/dbraw/zinc/33/37/67/741333767.db2.gz CPLZPBANSYKZAA-CZUORRHYSA-N 0 0 369.303 2.758 20 10 FFCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])c1cnc2[nH]c(=O)[nH]c2c1 ZINC000811530152 741534675 /nfs/dbraw/zinc/53/46/75/741534675.db2.gz WKSBPSNUXXTDHG-UHFFFAOYSA-N 0 0 353.165 2.606 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC(F)(F)[C@@H](CO)C2)c1 ZINC000812776083 741650939 /nfs/dbraw/zinc/65/09/39/741650939.db2.gz RIXKDFSMBUVJQB-LLVKDONJSA-N 0 0 350.203 2.913 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC2(C1)CCOCC2 ZINC000813584745 741737078 /nfs/dbraw/zinc/73/70/78/741737078.db2.gz VOXASMROSAENMG-UHFFFAOYSA-N 0 0 361.511 2.562 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@H](C)COC2CCCC2)c1 ZINC000815017609 741883199 /nfs/dbraw/zinc/88/31/99/741883199.db2.gz QJISEKKNIRBHPI-KGLIPLIRSA-N 0 0 371.499 2.977 20 10 FFCDRN CCS(=O)(=O)N(C)CCC[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815560110 741945264 /nfs/dbraw/zinc/94/52/64/741945264.db2.gz YHPKWUPFVFWSSN-LLVKDONJSA-N 0 0 368.421 2.733 20 10 FFCDRN Cc1c(Cl)c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)nn1C ZINC000817429411 742142590 /nfs/dbraw/zinc/14/25/90/742142590.db2.gz RGMMGTFVDWLXKK-LBPRGKRZSA-N 0 0 362.861 2.710 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CC[C@H](C2CCCC2)C1 ZINC000817823489 742215775 /nfs/dbraw/zinc/21/57/75/742215775.db2.gz LTXLRLZIZMBNND-AWEZNQCLSA-N 0 0 367.540 2.780 20 10 FFCDRN Cc1nn(C)cc1[C@@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817924154 742222254 /nfs/dbraw/zinc/22/22/54/742222254.db2.gz DYIWIDHDKPJMHN-LLVKDONJSA-N 0 0 355.467 2.849 20 10 FFCDRN CC[C@H](C)[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)OC ZINC000817924416 742222302 /nfs/dbraw/zinc/22/23/02/742222302.db2.gz XIGIOOCQXFRUKR-ZBEGNZNMSA-N 0 0 361.467 2.634 20 10 FFCDRN C[C@H](NC1C[NH2+]C1)c1cc(Br)cc(Br)c1[O-] ZINC000817955429 742224302 /nfs/dbraw/zinc/22/43/02/742224302.db2.gz AOJGRSCZSKIUQB-LURJTMIESA-N 0 0 350.054 2.540 20 10 FFCDRN CCC(CC)(NC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)OC ZINC000817953338 742224328 /nfs/dbraw/zinc/22/43/28/742224328.db2.gz KTMMVJJGTIZFIS-UHFFFAOYSA-N 0 0 361.467 2.778 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)CCOCC(F)(F)F)C2)cc1 ZINC000819583985 742410950 /nfs/dbraw/zinc/41/09/50/742410950.db2.gz YCMSGQAZGSTAFT-CYBMUJFWSA-N 0 0 360.376 2.607 20 10 FFCDRN CCc1cnc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000821433299 742626871 /nfs/dbraw/zinc/62/68/71/742626871.db2.gz PVWYUTNITMPVIT-UHFFFAOYSA-N 0 0 360.483 2.988 20 10 FFCDRN COCc1csc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000821464207 742631659 /nfs/dbraw/zinc/63/16/59/742631659.db2.gz GNFQXMKMULPXAA-LBPRGKRZSA-N 0 0 362.455 2.699 20 10 FFCDRN CCC[C@H](OC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000822612560 742759077 /nfs/dbraw/zinc/75/90/77/742759077.db2.gz BCHMJVRUMMMFTK-LBTNJELSSA-N 0 0 352.450 2.871 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc(Cl)nc3N)CC2)cc1 ZINC000822919882 742803234 /nfs/dbraw/zinc/80/32/34/742803234.db2.gz PDUJMLDHCDAPEK-UHFFFAOYSA-N 0 0 360.845 2.678 20 10 FFCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCS1 ZINC000823548800 742934836 /nfs/dbraw/zinc/93/48/36/742934836.db2.gz XFSOIEWWNXBLFR-UHFFFAOYSA-N 0 0 363.527 2.685 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3CCCSC3)C2)cc1 ZINC000823624082 742949733 /nfs/dbraw/zinc/94/97/33/742949733.db2.gz PZSIHLBQKIWKBT-JKSUJKDBSA-N 0 0 363.527 2.964 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2c(Br)nc3n2CCC3)cc1 ZINC000823729685 742969362 /nfs/dbraw/zinc/96/93/62/742969362.db2.gz JAMOHIGZZOZHNG-UHFFFAOYSA-N 0 0 363.259 2.588 20 10 FFCDRN C/C(=C/C(=O)N1CC[C@H](C(F)(F)F)n2nc(C)cc21)c1cnccn1 ZINC000823832779 742986600 /nfs/dbraw/zinc/98/66/00/742986600.db2.gz ZXWXZVCAPLQQOD-PGJNLMOESA-N 0 0 351.332 2.925 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1ccc2c(c1)CCNC2=O ZINC000824322225 743056039 /nfs/dbraw/zinc/05/60/39/743056039.db2.gz XPHLTXBECPDLEV-UHFFFAOYSA-N 0 0 362.480 2.733 20 10 FFCDRN C[N@@H+](Cc1cc(Cl)cc(F)c1[O-])C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824564026 743105991 /nfs/dbraw/zinc/10/59/91/743105991.db2.gz FYQRNXLTBDUYET-GFCCVEGCSA-N 0 0 362.829 2.502 20 10 FFCDRN C[N@@H+](Cc1c([O-])ccc(Cl)c1F)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000824571880 743109785 /nfs/dbraw/zinc/10/97/85/743109785.db2.gz PTBJXCXIFWPPFI-SNVBAGLBSA-N 0 0 362.829 2.502 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(c3ccnc(F)c3)CC2)c1O ZINC000824806010 743151650 /nfs/dbraw/zinc/15/16/50/743151650.db2.gz XKFPMMMWUDSDRP-UHFFFAOYSA-N 0 0 351.809 2.911 20 10 FFCDRN O=C(N1C[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824829752 743158698 /nfs/dbraw/zinc/15/86/98/743158698.db2.gz QYBZNGHIDHHIIL-CMPLNLGQSA-N 0 0 362.779 2.888 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000825124495 743214268 /nfs/dbraw/zinc/21/42/68/743214268.db2.gz RDYJJYMUZHYENU-CABZTGNLSA-N 0 0 354.166 2.900 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3(C)CC(F)(F)C3)CC2)c(OC)c1 ZINC000825207066 743228510 /nfs/dbraw/zinc/22/85/10/743228510.db2.gz CEOCPVJAACEMDO-UHFFFAOYSA-N 0 0 354.397 2.788 20 10 FFCDRN CCn1cc([C@H]2C[S@@](=O)CCN2Cc2cc(Cl)c(C)cc2O)cn1 ZINC000825692817 743312255 /nfs/dbraw/zinc/31/22/55/743312255.db2.gz OFHKMEQLVUKCME-GYCJOSAFSA-N 0 0 367.902 2.876 20 10 FFCDRN C[C@H]1SCC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000825727522 743319230 /nfs/dbraw/zinc/31/92/30/743319230.db2.gz GDDHJSRALCERFA-CZUORRHYSA-N 0 0 351.541 2.933 20 10 FFCDRN C[C@@H]1SCC[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000825727523 743319571 /nfs/dbraw/zinc/31/95/71/743319571.db2.gz GDDHJSRALCERFA-XJKSGUPXSA-N 0 0 351.541 2.933 20 10 FFCDRN CCOCc1nc([C@@H](C)NCc2ccc(Br)cc2O)no1 ZINC000825948651 743347570 /nfs/dbraw/zinc/34/75/70/743347570.db2.gz HMJLPJFZWFQESV-SECBINFHSA-N 0 0 356.220 2.925 20 10 FFCDRN O=C(CSc1cccc(Cl)c1-c1nn[nH]n1)c1ccc(O)c(O)c1 ZINC000826421225 743385564 /nfs/dbraw/zinc/38/55/64/743385564.db2.gz XUVPHOYNENKGBE-UHFFFAOYSA-N 0 0 362.798 2.906 20 10 FFCDRN COCCc1ccc(OC[C@H](O)C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000826796884 743443907 /nfs/dbraw/zinc/44/39/07/743443907.db2.gz OVRJJEVQFPBRCK-MRXNPFEDSA-N 0 0 365.857 2.764 20 10 FFCDRN COc1ccc(F)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000827160639 743522833 /nfs/dbraw/zinc/52/28/33/743522833.db2.gz SANUAUVMBHGYEJ-UHFFFAOYSA-N 0 0 352.431 2.687 20 10 FFCDRN COc1ccc(F)cc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000827473049 743583885 /nfs/dbraw/zinc/58/38/85/743583885.db2.gz BOJOSPHZDYIRNA-LBPRGKRZSA-N 0 0 352.431 2.940 20 10 FFCDRN COC[C@]1(C(=O)OC)CCCN1Cc1cc(C)cc(Br)c1O ZINC000827487954 743587820 /nfs/dbraw/zinc/58/78/20/743587820.db2.gz AOAMNDUETHIHKZ-INIZCTEOSA-N 0 0 372.259 2.617 20 10 FFCDRN C[C@H](NC(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000827964202 745008643 /nfs/dbraw/zinc/00/86/43/745008643.db2.gz HIAIJEHUYCAOIE-XHDPSFHLSA-N 0 0 352.406 2.774 20 10 FFCDRN Cc1nc(S(=O)(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)cn1C ZINC000828226621 745045095 /nfs/dbraw/zinc/04/50/95/745045095.db2.gz GVPNMOISKYYCIR-UHFFFAOYSA-N 0 0 359.451 2.867 20 10 FFCDRN Cc1cc(C)cc(CNC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000828238540 745046778 /nfs/dbraw/zinc/04/67/78/745046778.db2.gz GUYODXKPSDECDJ-UHFFFAOYSA-N 0 0 363.508 2.675 20 10 FFCDRN CC[C@H](C(=O)NCc1cc(OC)ccc1O)N(C)C(=O)OC(C)(C)C ZINC000830544038 745378095 /nfs/dbraw/zinc/37/80/95/745378095.db2.gz KDKNZCSKJMQNCN-CQSZACIVSA-N 0 0 352.431 2.663 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1 ZINC000831924401 745606408 /nfs/dbraw/zinc/60/64/08/745606408.db2.gz HHXOIRUEIRYKJD-MRVPVSSYSA-N 0 0 356.300 2.578 20 10 FFCDRN C[C@@H](CC(=O)NCCc1ccc(N)cc1)n1cc(Br)cn1 ZINC000832659186 745734986 /nfs/dbraw/zinc/73/49/86/745734986.db2.gz RIQOICSEFGBEAH-NSHDSACASA-N 0 0 351.248 2.538 20 10 FFCDRN CC(C)(C)OC(=O)N1CCN(C(=O)C2=CC(=O)CS2)C[C@](C)(F)C1 ZINC000833194807 745777512 /nfs/dbraw/zinc/77/75/12/745777512.db2.gz XGOVWVHYSGZVFK-INIZCTEOSA-N 0 0 358.435 2.875 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@@H](NC(=O)C2=CC(=O)CS2)C1 ZINC000834233235 745808400 /nfs/dbraw/zinc/80/84/00/745808400.db2.gz OOCIGCBIVUPNLL-NSHDSACASA-N 0 0 362.398 2.828 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)NCc2nn(C)cc2Br)c1 ZINC000834884869 745918712 /nfs/dbraw/zinc/91/87/12/745918712.db2.gz PZXDUOTWIFRJOP-VIFPVBQESA-N 0 0 368.231 2.526 20 10 FFCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CCCC[C@@H]2CCNS(C)(=O)=O)cc1 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O=C(NCc1ccc(N2CCCC2)cc1)[C@@]1(O)CCc2ccccc2C1 ZINC000785849839 1001496106 /nfs/dbraw/zinc/49/61/06/1001496106.db2.gz CUDNSFYUKPRYQI-JOCHJYFZSA-N 0 0 350.462 2.823 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc(C)nn2-c2cc(C)ccn2)c1O ZINC000786089869 1001526339 /nfs/dbraw/zinc/52/63/39/1001526339.db2.gz ACULKLVWLGQOJX-UHFFFAOYSA-N 0 0 367.409 2.920 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@@H]2NC(=O)O[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000786077320 1001534811 /nfs/dbraw/zinc/53/48/11/1001534811.db2.gz UQSIUSISUCDDJC-RDTXWAMCSA-N 0 0 370.405 2.625 20 10 FFCDRN CC[C@H](C)N1C[C@]2(CC1=O)COCC[N@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001276192775 1016505612 /nfs/dbraw/zinc/50/56/12/1016505612.db2.gz SCWDUUQTSILJAY-ORAYPTAESA-N 0 0 368.424 2.520 20 10 FFCDRN CC[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1ccc(F)cc1[O-] ZINC000796691415 1001621010 /nfs/dbraw/zinc/62/10/10/1001621010.db2.gz BXKAXEROPLOFHF-UYAOXDASSA-N 0 0 358.457 2.991 20 10 FFCDRN Cc1cc(CCNC(=O)c2cccnc2C(N)=O)c(C)n1-c1ccccc1 ZINC000786777540 1001626009 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FFCDRN C[C@H](CCc1ccccc1)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000774536805 1002028545 /nfs/dbraw/zinc/02/85/45/1002028545.db2.gz ITTIITDSUOQFEL-OAHLLOKOSA-N 0 0 371.456 2.645 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@@]3(CNC(=O)C3)C2)c(C)n1-c1cccc(F)c1 ZINC000789355966 1002042011 /nfs/dbraw/zinc/04/20/11/1002042011.db2.gz FVFHCXOYWZTZAO-OAQYLSRUSA-N 0 0 369.440 2.628 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000789515689 1002104808 /nfs/dbraw/zinc/10/48/08/1002104808.db2.gz GXQLIZNMSYEISF-NRFANRHFSA-N 0 0 368.477 2.787 20 10 FFCDRN COc1c2cnn(C)c2ncc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773019432 1002111602 /nfs/dbraw/zinc/11/16/02/1002111602.db2.gz LPNPEUZJGGQHDJ-GFCCVEGCSA-N 0 0 353.426 2.534 20 10 FFCDRN COCN1C(=O)CCc2cc(NCc3cc4c(cc3O)OCO4)ccc21 ZINC000789564057 1002130213 /nfs/dbraw/zinc/13/02/13/1002130213.db2.gz ONHQXZYBEDVULH-UHFFFAOYSA-N 0 0 356.378 2.616 20 10 FFCDRN Cc1cccc2c1ncn(CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c2=O ZINC000773018058 1002169954 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FFCDRN O=C(CNc1ccc(=O)n(Cc2ccc(F)cc2)c1)c1ccc(O)c(O)c1 ZINC001170320443 1003108832 /nfs/dbraw/zinc/10/88/32/1003108832.db2.gz ALOXAJVOHQUKLI-UHFFFAOYSA-N 0 0 368.364 2.742 20 10 FFCDRN COc1nc(NCC(=O)c2ccc(O)c(O)c2)ccc1Br ZINC001170322967 1003112107 /nfs/dbraw/zinc/11/21/07/1003112107.db2.gz QBFPUZCZQCYTAT-UHFFFAOYSA-N 0 0 353.172 2.559 20 10 FFCDRN CCOC(=O)c1cc(N2CCN(c3ccc(OCC)cc3)CC2)nc(C)n1 ZINC001185995387 1003142049 /nfs/dbraw/zinc/14/20/49/1003142049.db2.gz FMADLFRWBJJORJ-UHFFFAOYSA-N 0 0 370.453 2.687 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(-n3ccnn3)cc2)c1 ZINC000103586250 1003152524 /nfs/dbraw/zinc/15/25/24/1003152524.db2.gz LFNOZYJCQDRMMJ-GFCCVEGCSA-N 0 0 353.382 2.864 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H](C)N2CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000774963973 1003163409 /nfs/dbraw/zinc/16/34/09/1003163409.db2.gz MJFMASABZCGSCR-ZDUSSCGKSA-N 0 0 357.410 2.850 20 10 FFCDRN CCOc1ccc(CNC(=O)NCc2ccc(OC)cc2O)cc1OC ZINC000792803531 1003185163 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2.831 20 10 FFCDRN Cc1nnc2ccc(C(=O)NCc3ccc(N4CCSCC4)cc3)cn12 ZINC000749404296 1020971216 /nfs/dbraw/zinc/97/12/16/1020971216.db2.gz IEKMMQRDUXJSGH-UHFFFAOYSA-N 0 0 367.478 2.521 20 10 FFCDRN C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccncc1 ZINC000749554894 1021006140 /nfs/dbraw/zinc/00/61/40/1021006140.db2.gz WHIGQGOUTHAPIP-HNNXBMFYSA-N 0 0 372.444 2.660 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000749588987 1021010134 /nfs/dbraw/zinc/01/01/34/1021010134.db2.gz VAZMGADPAZLJJT-IBGZPJMESA-N 0 0 369.509 2.942 20 10 FFCDRN COc1ccc2c(c1O[C@H]1CCNCC1(F)F)C(=O)c1ccccc1C2=O ZINC001218010645 1032949417 /nfs/dbraw/zinc/94/94/17/1032949417.db2.gz QIRSAQVYOHIJGI-HNNXBMFYSA-N 0 0 373.355 2.847 20 10 FFCDRN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CC[NH2+]CC[C@H]2C)c1[O-] ZINC001218024695 1032960958 /nfs/dbraw/zinc/96/09/58/1032960958.db2.gz PBTCLWYXCGGXOW-MNOVXSKESA-N 0 0 371.455 2.574 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1sccc1CC ZINC001116570887 1021289294 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10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(CC)CCSC ZINC001118186686 1022107854 /nfs/dbraw/zinc/10/78/54/1022107854.db2.gz JNSNGZDRDFAFOL-UHFFFAOYSA-N 0 0 352.500 2.732 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(C)n(C(C)(C)C)n3)CC2)cc1 ZINC000042091624 1022137343 /nfs/dbraw/zinc/13/73/43/1022137343.db2.gz FBDPCAWKNFLGPC-UHFFFAOYSA-N 0 0 356.470 2.918 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@]2(CC2(F)F)C1 ZINC001118320297 1022178887 /nfs/dbraw/zinc/17/88/87/1022178887.db2.gz WUOLCDVPJSMARA-GOSISDBHSA-N 0 0 366.408 2.779 20 10 FFCDRN C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CCc2ccccc21 ZINC001118328763 1022182043 /nfs/dbraw/zinc/18/20/43/1022182043.db2.gz PPEBXIAIDPRZKR-OAHLLOKOSA-N 0 0 352.434 2.539 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H](O)c1ccccc1 ZINC000043050505 1022207083 /nfs/dbraw/zinc/20/70/83/1022207083.db2.gz PQJSEBARLDFNSD-LJQANCHMSA-N 0 0 371.506 2.773 20 10 FFCDRN O=C1C[C@@H](CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)CN1 ZINC001118413187 1022223718 /nfs/dbraw/zinc/22/37/18/1022223718.db2.gz QBGCBAGDMFDWNL-GDBMZVCRSA-N 0 0 357.479 2.957 20 10 FFCDRN CC(C)Oc1cncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000155376503 1022247581 /nfs/dbraw/zinc/24/75/81/1022247581.db2.gz XGIXZXFPZCAMCK-UHFFFAOYSA-N 0 0 373.428 2.775 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C(=O)Nc1ccccc1 ZINC000115827047 1022362190 /nfs/dbraw/zinc/36/21/90/1022362190.db2.gz YOUQILHAOPOJOT-OAHLLOKOSA-N 0 0 354.454 2.887 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3c[nH]c(Br)c3)C2)cc1 ZINC001118777999 1022396855 /nfs/dbraw/zinc/39/68/55/1022396855.db2.gz PZIPCINCHNIBCS-LBPRGKRZSA-N 0 0 364.243 2.795 20 10 FFCDRN COc1cccc2c1OCC(C(=O)NCc1ccc(N(C)C)c(F)c1)=C2 ZINC000750733627 1022445631 /nfs/dbraw/zinc/44/56/31/1022445631.db2.gz MEMNJZJRTOGLNR-UHFFFAOYSA-N 0 0 356.397 2.993 20 10 FFCDRN COc1ccc(OCCCS(=O)(=O)NCc2cc(C)ccc2O)cc1 ZINC001118877583 1022453092 /nfs/dbraw/zinc/45/30/92/1022453092.db2.gz ILJLHMTYNBOXIG-UHFFFAOYSA-N 0 0 365.451 2.598 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccnc1N(C)C ZINC000046300049 1022456748 /nfs/dbraw/zinc/45/67/48/1022456748.db2.gz WUSHGQRIEZVBGU-UHFFFAOYSA-N 0 0 355.486 2.945 20 10 FFCDRN C[C@@H](NC(=O)[C@H](C)Oc1cccnc1)c1ccc(N2CCOCC2)cc1 ZINC000117631481 1022490188 /nfs/dbraw/zinc/49/01/88/1022490188.db2.gz MPFWEKLMUMFRNS-CVEARBPZSA-N 0 0 355.438 2.563 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)cc1 ZINC001118967084 1022493710 /nfs/dbraw/zinc/49/37/10/1022493710.db2.gz VCURLUKQXQKGMW-AWEZNQCLSA-N 0 0 373.403 2.700 20 10 FFCDRN CCOC(=O)C1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000046984073 1022495178 /nfs/dbraw/zinc/49/51/78/1022495178.db2.gz GXPVCZQQTOAUCM-UHFFFAOYSA-N 0 0 359.470 2.772 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000778912417 1022516318 /nfs/dbraw/zinc/51/63/18/1022516318.db2.gz BLHJEBKQKGOGON-UHFFFAOYSA-N 0 0 368.292 2.580 20 10 FFCDRN Cc1c(C(=O)NCc2ccc(O)c(O)c2)cnn1-c1ccc(F)cc1F ZINC000778925684 1022535915 /nfs/dbraw/zinc/53/59/15/1022535915.db2.gz NKZWCFSUXOGKBT-UHFFFAOYSA-N 0 0 359.332 2.800 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCc2ccccc21 ZINC000047334973 1022546140 /nfs/dbraw/zinc/54/61/40/1022546140.db2.gz UNUAKLGONLYVDM-UHFFFAOYSA-N 0 0 355.413 2.935 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000159145799 1022623952 /nfs/dbraw/zinc/62/39/52/1022623952.db2.gz SCFOVWLBJQVSOU-UHFFFAOYSA-N 0 0 351.362 2.955 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCC[C@H](C(N)=O)C2)cc1F ZINC000159482677 1022697636 /nfs/dbraw/zinc/69/76/36/1022697636.db2.gz YIPGHUMIIKMSQO-LSDHHAIUSA-N 0 0 364.465 2.515 20 10 FFCDRN O=C(NC1CCC=CCC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001119523035 1022835796 /nfs/dbraw/zinc/83/57/96/1022835796.db2.gz QEYHHDBRHDEOPS-SFHVURJKSA-N 0 0 372.465 2.515 20 10 FFCDRN Cc1cc(C(=O)N2CCN(CCO)[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000779128650 1022856865 /nfs/dbraw/zinc/85/68/65/1022856865.db2.gz ZNDBEQCYFRZRTI-QGZVFWFLSA-N 0 0 355.482 2.541 20 10 FFCDRN Cc1ccc(C[C@H](CO)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000187838161 1022950039 /nfs/dbraw/zinc/95/00/39/1022950039.db2.gz CCLKABSLOMDDEB-HXUWFJFHSA-N 0 0 367.493 2.998 20 10 FFCDRN C[C@@H]1CCCN(C(=O)COC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000751931588 1022977407 /nfs/dbraw/zinc/97/74/07/1022977407.db2.gz OYWMQKZZHGKAEB-CYBMUJFWSA-N 0 0 373.478 2.731 20 10 FFCDRN C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NC1CCCC1 ZINC000751932145 1022978513 /nfs/dbraw/zinc/97/85/13/1022978513.db2.gz SESRCENTQLLNJK-LBPRGKRZSA-N 0 0 373.478 2.920 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000075160155 1023023112 /nfs/dbraw/zinc/02/31/12/1023023112.db2.gz ZGIVMHQHYYSDMX-MRXNPFEDSA-N 0 0 356.466 2.536 20 10 FFCDRN CCOc1ccc(OC[C@@H](O)CN(C)c2ccc(OC)cc2OC)cc1 ZINC000752121372 1023069569 /nfs/dbraw/zinc/06/95/69/1023069569.db2.gz DECXCMWOCYPELK-HNNXBMFYSA-N 0 0 361.438 2.979 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2ccc3c(c2)OCCO3)c(OC)c1 ZINC000752124598 1023073333 /nfs/dbraw/zinc/07/33/33/1023073333.db2.gz LCECFOWMXUMSGD-UHFFFAOYSA-N 0 0 358.394 2.550 20 10 FFCDRN O=C(NCC1CCC1)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000075575581 1023105474 /nfs/dbraw/zinc/10/54/74/1023105474.db2.gz ZPGXLDORDWBDSH-UHFFFAOYSA-N 0 0 364.357 2.900 20 10 FFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1C2CCC1(CO)CC2 ZINC001119907870 1023155795 /nfs/dbraw/zinc/15/57/95/1023155795.db2.gz DKHUQVRYTLTFIH-UHFFFAOYSA-N 0 0 363.421 2.918 20 10 FFCDRN C[C@@H](CC(N)=O)Nc1cccc(F)c1C(=O)c1ccc2c(c1)OCCO2 ZINC001119969080 1023186394 /nfs/dbraw/zinc/18/63/94/1023186394.db2.gz NCUSASIAUYMPTK-NSHDSACASA-N 0 0 358.369 2.504 20 10 FFCDRN CCC1(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCC1 ZINC000752888895 1023219383 /nfs/dbraw/zinc/21/93/83/1023219383.db2.gz UJJPHEJGNNBSTE-MRXNPFEDSA-N 0 0 358.486 2.520 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ncn(C(C)(C)C)n1 ZINC000752999701 1023247362 /nfs/dbraw/zinc/24/73/62/1023247362.db2.gz FYNSLZGBUROKAH-UHFFFAOYSA-N 0 0 372.473 2.534 20 10 FFCDRN C[C@H](NC(=O)N[C@]1(C)CCO[C@H]1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000753125716 1023274879 /nfs/dbraw/zinc/27/48/79/1023274879.db2.gz FDCOBZCQAYCXDO-PAXLWEDBSA-N 0 0 373.497 2.841 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3C[C@H](OC)C3(C)C)CC2)cc1 ZINC000753342020 1023308939 /nfs/dbraw/zinc/30/89/39/1023308939.db2.gz GICBVNFTXPLKHN-MSOLQXFVSA-N 0 0 361.486 2.777 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N)cc1)c1cccc(N2CCCC2=O)c1 ZINC001120493521 1023340278 /nfs/dbraw/zinc/34/02/78/1023340278.db2.gz XKLCOTSMCBHJIZ-CQSZACIVSA-N 0 0 352.438 2.956 20 10 FFCDRN CC(C)[C@H]1C(=O)NCCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000753539395 1023349018 /nfs/dbraw/zinc/34/90/18/1023349018.db2.gz DZGGXNIOKHHABI-FQEVSTJZSA-N 0 0 354.450 2.928 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)cc1F ZINC000753739669 1023374080 /nfs/dbraw/zinc/37/40/80/1023374080.db2.gz JFFTTZNLRYJNGZ-UHFFFAOYSA-N 0 0 368.412 2.533 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](CC(=O)OC)C3CC3)ccc21 ZINC000753777315 1023379255 /nfs/dbraw/zinc/37/92/55/1023379255.db2.gz WOWOHEUZULRUSV-SFHVURJKSA-N 0 0 372.465 2.976 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N(C)[C@H](C)CC(C)C)CC2)cc1F ZINC000753856546 1023390003 /nfs/dbraw/zinc/39/00/03/1023390003.db2.gz GQKCWZUESPDELJ-MRXNPFEDSA-N 0 0 365.493 2.849 20 10 FFCDRN C[C@H](NC(=O)Cc1ccc2c(c1)COC2)c1ccc(N2CCOCC2)cc1 ZINC000754172263 1023434726 /nfs/dbraw/zinc/43/47/26/1023434726.db2.gz ZORHVPVECMBDNJ-INIZCTEOSA-N 0 0 366.461 2.973 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000754269402 1023448437 /nfs/dbraw/zinc/44/84/37/1023448437.db2.gz JEOVIGKBVCZYCM-SFHVURJKSA-N 0 0 355.438 2.554 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(F)n3)cc2F)C[C@@H](C)O1 ZINC000754405685 1023465386 /nfs/dbraw/zinc/46/53/86/1023465386.db2.gz KPQVDIQCWWGAID-CHWSQXEVSA-N 0 0 361.392 2.903 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)ccn1 ZINC001120863336 1023501455 /nfs/dbraw/zinc/50/14/55/1023501455.db2.gz SUNJSFAIWDTPTM-UHFFFAOYSA-N 0 0 367.449 2.818 20 10 FFCDRN CCCC[C@@H](O)CCC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001137817689 1033143479 /nfs/dbraw/zinc/14/34/79/1033143479.db2.gz FDSUIUJEBNMOGQ-OAHLLOKOSA-N 0 0 371.861 2.879 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)c3cnc4n[nH]nc4c3)cc2)CC1 ZINC000755296943 1023588327 /nfs/dbraw/zinc/58/83/27/1023588327.db2.gz TULVPFGMSFKONE-UHFFFAOYSA-N 0 0 350.426 2.519 20 10 FFCDRN CCOC(=O)CN1C(=O)/C(=C\c2cnn(-c3ccccc3)n2)c2ccccc21 ZINC000755410114 1023598359 /nfs/dbraw/zinc/59/83/59/1023598359.db2.gz JTUBWOOJVPMJSU-PDGQHHTCSA-N 0 0 374.400 2.718 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3snnc3C(C)C)C2)cc1 ZINC001121188496 1023642081 /nfs/dbraw/zinc/64/20/81/1023642081.db2.gz VXACLBTVENZUDD-CYBMUJFWSA-N 0 0 360.483 2.926 20 10 FFCDRN Cc1cc(C(=O)N2CCN3CCOC[C@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000756249176 1023687535 /nfs/dbraw/zinc/68/75/35/1023687535.db2.gz UBJTVGUEPHRYJY-GOSISDBHSA-N 0 0 373.884 2.904 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccnc2-n2ccnc2)c1 ZINC000756392014 1023703676 /nfs/dbraw/zinc/70/36/76/1023703676.db2.gz GPVIYDLGHPRGFN-CYBMUJFWSA-N 0 0 352.394 2.610 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000756390831 1023703951 /nfs/dbraw/zinc/70/39/51/1023703951.db2.gz AJUPQBDKUZMSBQ-ZDUSSCGKSA-N 0 0 352.394 2.610 20 10 FFCDRN C[C@H]([NH2+]Cc1ccccc1Cn1cncn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756394002 1023704260 /nfs/dbraw/zinc/70/42/60/1023704260.db2.gz VGKLUROHDTZZPK-ZDUSSCGKSA-N 0 0 353.382 2.791 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cccc(N3CCOC3=O)c2)c1 ZINC000756443715 1023712576 /nfs/dbraw/zinc/71/25/76/1023712576.db2.gz IDBYNPSNJIQHTK-ZDUSSCGKSA-N 0 0 370.405 2.986 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCNC(=O)c2cccc(C)c2)c1 ZINC000756455931 1023713159 /nfs/dbraw/zinc/71/31/59/1023713159.db2.gz BWLBNBZGNDBJKL-CQSZACIVSA-N 0 0 356.422 2.568 20 10 FFCDRN CN(CCCOc1ccccc1)C(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000756654326 1023740412 /nfs/dbraw/zinc/74/04/12/1023740412.db2.gz QTXXYYSAWSBZGO-UHFFFAOYSA-N 0 0 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COc1ccc(CN2CCn3c(CCc4ccccc4)nnc3C2)c(O)c1 ZINC001203634948 1030797481 /nfs/dbraw/zinc/79/74/81/1030797481.db2.gz CIBJKDMBGZIJOW-UHFFFAOYSA-N 0 0 364.449 2.793 20 10 FFCDRN C[C@@H]1[C@@H](c2cccc(F)c2)OCCN1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000842633903 1030860586 /nfs/dbraw/zinc/86/05/86/1030860586.db2.gz YVKUAJPZMBMBAU-OACQNMCBSA-N 0 0 359.397 2.919 20 10 FFCDRN CCOC[C@H]1CN(Cc2ccc(O)c(O)c2)Cc2cn(CC3CC3)nc21 ZINC001203877930 1030952743 /nfs/dbraw/zinc/95/27/43/1030952743.db2.gz LKKLXVAKFNKZOQ-QGZVFWFLSA-N 0 0 357.454 2.840 20 10 FFCDRN CC[C@@H](Nc1ccc2c(c1)CN(CC(N)=O)CC2)c1ccc(F)cc1O ZINC000796971041 1030970512 /nfs/dbraw/zinc/97/05/12/1030970512.db2.gz GILUBBFIFKVEOW-GOSISDBHSA-N 0 0 357.429 2.938 20 10 FFCDRN C[C@H](NC(=O)C(=O)Nc1cccc2c1CCO2)c1ccc(N(C)C)cc1 ZINC000797017991 1030980698 /nfs/dbraw/zinc/98/06/98/1030980698.db2.gz AMKQKFCQIUNWNV-ZDUSSCGKSA-N 0 0 353.422 2.503 20 10 FFCDRN CC(C)N(C)Cc1nnc2n1CCCN(Cc1ccc(N(C)C)cc1)C2 ZINC001203933219 1030993581 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O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1c(O)cccc1Cl ZINC001278491271 1039883453 /nfs/dbraw/zinc/88/34/53/1039883453.db2.gz SLNUFNMTFLYSDX-OKILXGFUSA-N 0 0 358.829 2.931 20 10 FFCDRN O=S(=O)(Nc1ccc(O)cc1Br)c1ccc2c(c1)CCO2 ZINC001259356580 1039935928 /nfs/dbraw/zinc/93/59/28/1039935928.db2.gz KXKRZZKZJSFCFQ-UHFFFAOYSA-N 0 0 370.224 2.890 20 10 FFCDRN O=S(=O)(c1cc(F)c(F)c(F)c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001259499599 1040065418 /nfs/dbraw/zinc/06/54/18/1040065418.db2.gz LSHFMYOIZZKABJ-UHFFFAOYSA-N 0 0 373.352 2.652 20 10 FFCDRN O=C1CSC(=S)N1CCCc1nc(-c2ccc(F)cc2F)no1 ZINC001248043049 1040108127 /nfs/dbraw/zinc/10/81/27/1040108127.db2.gz YXEGJKNCXHRLKU-UHFFFAOYSA-N 0 0 355.391 2.808 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=S)NCCNC(=O)OC(C)(C)C)cc1 ZINC001248063386 1040113955 /nfs/dbraw/zinc/11/39/55/1040113955.db2.gz KCSIRIRTBIIHJO-UHFFFAOYSA-N 0 0 366.531 2.584 20 10 FFCDRN CCOc1ccc(N2CCN(Cc3nc([C@H](C)OCC)no3)CC2)cc1 ZINC001253448052 1040185615 /nfs/dbraw/zinc/18/56/15/1040185615.db2.gz AXOXASQFLCWOEI-HNNXBMFYSA-N 0 0 360.458 2.888 20 10 FFCDRN COc1ccc(CNCc2nc(-c3cc(OC)ccc3OC)no2)c(O)c1 ZINC001248247540 1040192668 /nfs/dbraw/zinc/19/26/68/1040192668.db2.gz ITFDEGLOURGVOS-UHFFFAOYSA-N 0 0 371.393 2.758 20 10 FFCDRN COc1cc(I)cc(CN2CC(C)(F)C2)c1O ZINC001248391682 1040252968 /nfs/dbraw/zinc/25/29/68/1040252968.db2.gz XIBWVAIQWQNDGU-UHFFFAOYSA-N 0 0 351.159 2.549 20 10 FFCDRN COc1ccc(C[N@H+](C)CCSC)c([O-])c1I ZINC001248498847 1040301316 /nfs/dbraw/zinc/30/13/16/1040301316.db2.gz RLCLRSKFBDRQAO-UHFFFAOYSA-N 0 0 367.252 2.800 20 10 FFCDRN CCCCS(=O)(=O)Nc1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001253864797 1040422380 /nfs/dbraw/zinc/42/23/80/1040422380.db2.gz ZUKYPPYOYMBLNK-UHFFFAOYSA-N 0 0 359.403 2.709 20 10 FFCDRN O=S(=O)(NCCc1ccc(O)c(O)c1)c1ccc(Cl)c(Cl)c1 ZINC001260315601 1040532977 /nfs/dbraw/zinc/53/29/77/1040532977.db2.gz SFGJTUPPAGXZIJ-UHFFFAOYSA-N 0 0 362.234 2.926 20 10 FFCDRN O=S(=O)(Nc1ccc(CO)cc1Cl)c1cccc2nsnc21 ZINC001260389075 1040571044 /nfs/dbraw/zinc/57/10/44/1040571044.db2.gz QGQUEAGEPGIYJT-UHFFFAOYSA-N 0 0 355.828 2.638 20 10 FFCDRN COC(=O)Cc1ccc(CN2CC(=O)c3cc(Cl)ccc3C2)c(O)c1 ZINC001249217253 1040631699 /nfs/dbraw/zinc/63/16/99/1040631699.db2.gz NAYJHUJHMDNWDB-UHFFFAOYSA-N 0 0 359.809 2.960 20 10 FFCDRN COC(=O)CC[C@@H]1COCCN1Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249263673 1040655495 /nfs/dbraw/zinc/65/54/95/1040655495.db2.gz ROKSBPKCFFGFNB-OAHLLOKOSA-N 0 0 361.438 2.730 20 10 FFCDRN CC1(C)C=Cc2c(O)c(CN3CCN(c4ccccn4)C(=O)C3)ccc2O1 ZINC001249259404 1040656089 /nfs/dbraw/zinc/65/60/89/1040656089.db2.gz WYMYSVSUGQSZMA-UHFFFAOYSA-N 0 0 365.433 2.820 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176804111 1040829531 /nfs/dbraw/zinc/82/95/31/1040829531.db2.gz RXTLSPKHYCWRRL-MRXNPFEDSA-N 0 0 374.506 2.970 20 10 FFCDRN C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC001261112759 1041011245 /nfs/dbraw/zinc/01/12/45/1041011245.db2.gz DDDUPPFRFFNPBI-FASAQXTFSA-N 0 0 369.440 2.741 20 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CN(Cc1ccc(N2CCCC2)cc1)C(=O)COCc1cc[nH]c(=O)c1 ZINC001264287474 1042661250 /nfs/dbraw/zinc/66/12/50/1042661250.db2.gz ZOIYDZOKYANZLF-UHFFFAOYSA-N 0 0 355.438 2.563 20 10 FFCDRN COC(=O)[C@@]1(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@H]1c1ccccc1 ZINC001264827090 1042825353 /nfs/dbraw/zinc/82/53/53/1042825353.db2.gz OAMSMTAKYAKMQO-KKSFZXQISA-N 0 0 370.424 2.855 20 10 FFCDRN O=S1(=O)CCN(c2ccc(CN3CCC[C@@H]3c3ccccn3)cc2)CC1 ZINC001237204446 1043051974 /nfs/dbraw/zinc/05/19/74/1043051974.db2.gz BAVQPWAGEYEGML-HXUWFJFHSA-N 0 0 371.506 2.654 20 10 FFCDRN COc1ccc(N2CC[C@@]3(C2)CN(CC2CCCC2)C(=O)CO3)cc1F ZINC001278075526 1043083181 /nfs/dbraw/zinc/08/31/81/1043083181.db2.gz POZHADFNPMWAOD-HXUWFJFHSA-N 0 0 362.445 2.832 20 10 FFCDRN CCOC(=O)[C@@H](C)N1CC[C@@]2(CCCN2c2ccc(OC)cc2C)C1=O ZINC001278090688 1043127604 /nfs/dbraw/zinc/12/76/04/1043127604.db2.gz JLHVEWIBNMVKET-QRWLVFNGSA-N 0 0 360.454 2.527 20 10 FFCDRN COc1ccc(N2C[C@@]3(F)C(=O)N(CC(F)(F)F)C[C@@]3(F)C2)c(C)c1 ZINC001278091329 1043130376 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MMQCUOFSFUDOEE-AWEZNQCLSA-N 0 0 364.854 2.675 20 10 FFCDRN c1nc(CN2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)n[nH]1 ZINC001237605385 1043265597 /nfs/dbraw/zinc/26/55/97/1043265597.db2.gz VRMLQOYFFRKWAE-UHFFFAOYSA-N 0 0 360.421 2.935 20 10 FFCDRN CCOC(=O)[C@@]12CCO[C@@H]1CC[N@H+](Cc1cc(Cl)cc(F)c1[O-])C2 ZINC001237617409 1043274498 /nfs/dbraw/zinc/27/44/98/1043274498.db2.gz QDSJUZGBCUVHOY-RHSMWYFYSA-N 0 0 357.809 2.729 20 10 FFCDRN O=C(NC1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1)c1ccncc1 ZINC001237622819 1043279547 /nfs/dbraw/zinc/27/95/47/1043279547.db2.gz BKQSLYIYAOOTSN-UHFFFAOYSA-N 0 0 363.820 2.974 20 10 FFCDRN COC(=O)C[C@H]1COCCN1Cc1cc(-c2ccc(F)cc2)ccc1O ZINC001237649192 1043292807 /nfs/dbraw/zinc/29/28/07/1043292807.db2.gz JGQCJFJCHRHEHP-SFHVURJKSA-N 0 0 359.397 2.962 20 10 FFCDRN COC(=O)[C@H]1Cc2ccccc2CN1Cc1cc(OC)cc(OC)c1O ZINC001237677324 1043303444 /nfs/dbraw/zinc/30/34/44/1043303444.db2.gz DNWLAMCIBDHRPK-QGZVFWFLSA-N 0 0 357.406 2.509 20 10 FFCDRN CC[N@H+](CCN1CCOCC1)Cc1cc(Br)c(C)cc1O ZINC001237680388 1043307423 /nfs/dbraw/zinc/30/74/23/1043307423.db2.gz BYZKTUNZFBUZCS-UHFFFAOYSA-N 0 0 357.292 2.617 20 10 FFCDRN Cc1cc(Cl)cc(CN2CCN(CC(=O)OC(C)(C)C)CC2)c1O ZINC001237685474 1043311923 /nfs/dbraw/zinc/31/19/23/1043311923.db2.gz CVMMBIDLUIMCPJ-UHFFFAOYSA-N 0 0 354.878 2.813 20 10 FFCDRN [O-]c1c(I)cccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC001237780593 1043353110 /nfs/dbraw/zinc/35/31/10/1043353110.db2.gz PPPDTLOVISRGKS-UHFFFAOYSA-N 0 0 373.234 2.999 20 10 FFCDRN O=c1cc[nH]cc1CN1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001237844743 1043393554 /nfs/dbraw/zinc/39/35/54/1043393554.db2.gz OBJYGZQASJXQNL-UHFFFAOYSA-N 0 0 353.344 2.596 20 10 FFCDRN Oc1ccc(Cl)c(Cl)c1CN1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279674104 1043445179 /nfs/dbraw/zinc/44/51/79/1043445179.db2.gz DFVIQJPIEUEBOL-UHFFFAOYSA-N 0 0 353.253 2.740 20 10 FFCDRN CCOC[C@H]1CN(Cc2cc(F)c(Cl)cc2O)Cc2nnn(CC)c21 ZINC001237939468 1043446562 /nfs/dbraw/zinc/44/65/62/1043446562.db2.gz WQUSZFYVGQTNSS-GFCCVEGCSA-N 0 0 368.840 2.932 20 10 FFCDRN COc1cccc(N2CCN(Cc3cc(F)c(Cl)cc3O)CC2)n1 ZINC001237950414 1043452913 /nfs/dbraw/zinc/45/29/13/1043452913.db2.gz STSAPMPFEWGSPK-UHFFFAOYSA-N 0 0 351.809 2.911 20 10 FFCDRN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1Cc1cc(F)cc(C)c1O ZINC001238061876 1043507934 /nfs/dbraw/zinc/50/79/34/1043507934.db2.gz PESBBPJHTFOOHP-GOSISDBHSA-N 0 0 374.460 2.853 20 10 FFCDRN CCOc1ccc(N2CC[C@H]3CN(C(=O)Cn4cc(Cl)cn4)C[C@H]32)cc1 ZINC001279732451 1043548767 /nfs/dbraw/zinc/54/87/67/1043548767.db2.gz YTGKFHZUTZORJH-KBXCAEBGSA-N 0 0 374.872 2.673 20 10 FFCDRN C[C@@]1(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CCC[NH2+]CC1 ZINC001238121118 1043552877 /nfs/dbraw/zinc/55/28/77/1043552877.db2.gz ZIIUONVENWOJSP-CQSZACIVSA-N 0 0 367.298 2.757 20 10 FFCDRN CN(C(=O)C12CC([NH2+]Cc3c(F)ccc(F)c3[O-])(C1)C2)C1CC(F)(F)C1 ZINC001279739731 1043562561 /nfs/dbraw/zinc/56/25/61/1043562561.db2.gz BMGWCNPTLAHXEK-UHFFFAOYSA-N 0 0 372.362 2.939 20 10 FFCDRN O=C([O-])c1cccc(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000756299461 1043569882 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358.413 2.993 20 10 FFCDRN CCC1(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC[NH2+]CC1 ZINC001238848039 1043922262 /nfs/dbraw/zinc/92/22/62/1043922262.db2.gz KUZHWUOUIGDJJS-UHFFFAOYSA-N 0 0 367.298 2.757 20 10 FFCDRN COc1ccc(CNC(=O)NCc2cc(Cl)ccc2O)cc1[N+](=O)[O-] ZINC001311641705 1043953010 /nfs/dbraw/zinc/95/30/10/1043953010.db2.gz YNOHXJLHUPWCPH-UHFFFAOYSA-N 0 0 365.773 2.962 20 10 FFCDRN COC[C@@H]1CNCCN1S(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001238989626 1043977786 /nfs/dbraw/zinc/97/77/86/1043977786.db2.gz OTYVAAVASDCQTP-UAFUQJIBSA-N 0 0 374.466 2.711 20 10 FFCDRN CN(C)C(=O)C[C@H]1C[C@@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2O1 ZINC001279976378 1044020556 /nfs/dbraw/zinc/02/05/56/1044020556.db2.gz UHCSIHQOBRAMAD-YVLXSGLVSA-N 0 0 373.280 2.767 20 10 FFCDRN O=C(Nc1nnco1)[C@@H]1CCC[C@@]12CC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001280006486 1044076582 /nfs/dbraw/zinc/07/65/82/1044076582.db2.gz DWMNIGHUQMLXJM-UGSOOPFHSA-N 0 0 360.389 2.545 20 10 FFCDRN CC(C)(C)NC(=O)[C@H]1CCN(Cc2c(O)cccc2F)Cc2ccnn21 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ZINC001475001614 1065670189 /nfs/dbraw/zinc/67/01/89/1065670189.db2.gz AVEMONJSOXPIPE-UHFFFAOYSA-N 0 0 356.787 2.741 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CSCN3)cc2Cl)C1 ZINC001576711212 1078264049 /nfs/dbraw/zinc/26/40/49/1078264049.db2.gz PHTXAWDHLPJYCB-SWLSCSKDSA-N 0 0 353.919 2.855 20 10 FFCDRN Nc1ccc(CC(=O)N2CCCC[C@@H]2COC(=O)N2CCCCC2)cc1 ZINC001580442856 1078805581 /nfs/dbraw/zinc/80/55/81/1078805581.db2.gz ICNDXJFNDIFFQP-GOSISDBHSA-N 0 0 359.470 2.815 20 10 FFCDRN CS(C)(=O)=Nc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC001562852096 1073990813 /nfs/dbraw/zinc/99/08/13/1073990813.db2.gz VYCRLKKCOSGCJI-UHFFFAOYSA-N 0 0 363.439 2.821 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@H]3C3CCCC3)CC2)cc1 ZINC001583752309 1079259020 /nfs/dbraw/zinc/25/90/20/1079259020.db2.gz MHFGDSHUTIWRSI-LEWJYISDSA-N 0 0 371.525 2.760 20 10 FFCDRN Nc1ccc(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)cn1 ZINC001562966145 1074800642 /nfs/dbraw/zinc/80/06/42/1074800642.db2.gz NJNXDNMTOPFPGU-UHFFFAOYSA-N 0 0 359.393 2.695 20 10 FFCDRN CC(C)Nc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001584804703 1079391093 /nfs/dbraw/zinc/39/10/93/1079391093.db2.gz ICSGIZUBNQIEOM-UHFFFAOYSA-N 0 0 363.439 2.836 20 10 FFCDRN C[C@@H](c1ccccc1)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O ZINC001556818279 1075778336 /nfs/dbraw/zinc/77/83/36/1075778336.db2.gz KKOAUHKYKMEHET-BTDLBPIBSA-N 0 0 370.430 2.700 20 10 FFCDRN Cc1cc(CC(=O)N2CC[C@H]3COC(=O)N[C@@H]3C2)c(C)n1-c1ccccc1 ZINC001557363686 1075843037 /nfs/dbraw/zinc/84/30/37/1075843037.db2.gz RBCXCQRXMZSNQE-QFBILLFUSA-N 0 0 367.449 2.594 20 10 FFCDRN Nc1c(Cl)cccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001557639376 1075868862 /nfs/dbraw/zinc/86/88/62/1075868862.db2.gz IAZDIGJFTVPFHF-UHFFFAOYSA-N 0 0 359.857 2.813 20 10 FFCDRN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)nnn1-c1cccc([N+](=O)[O-])c1 ZINC001557968255 1075919149 /nfs/dbraw/zinc/91/91/49/1075919149.db2.gz WBOMCCFFWUVLHX-NSHDSACASA-N 0 0 367.365 2.681 20 10 FFCDRN C[C@H](NC(=O)c1cc(Br)cc(N)c1N)c1ccccc1O ZINC001557969165 1075919629 /nfs/dbraw/zinc/91/96/29/1075919629.db2.gz REIZTKIEQICXNO-QMMMGPOBSA-N 0 0 350.216 2.810 20 10 FFCDRN Nc1cc(Br)c(F)cc1C(=O)NCc1cc(O)ccc1O ZINC001558178214 1075957126 /nfs/dbraw/zinc/95/71/26/1075957126.db2.gz XEXOEFVXWNKWKR-UHFFFAOYSA-N 0 0 355.163 2.512 20 10 FFCDRN CN(CCc1ccc2c(c1)OCO2)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001558388860 1075996511 /nfs/dbraw/zinc/99/65/11/1075996511.db2.gz RGVLLCNVTDBRHC-UHFFFAOYSA-N 0 0 354.366 2.892 20 10 FFCDRN CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)Cc1ccc(O)c(O)c1 ZINC001558435096 1076005577 /nfs/dbraw/zinc/00/55/77/1076005577.db2.gz PUBJRQNBNIULMI-UHFFFAOYSA-N 0 0 366.458 2.744 20 10 FFCDRN COC(=O)c1cc2cccnc2c(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001558539623 1076028929 /nfs/dbraw/zinc/02/89/29/1076028929.db2.gz XZBYOSCMWFBXMJ-UHFFFAOYSA-N 0 0 352.346 2.614 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)c1ccc(C)cc1F)cc2=O ZINC001559908792 1076201516 /nfs/dbraw/zinc/20/15/16/1076201516.db2.gz DQHNTYJJMBHXSY-UHFFFAOYSA-N 0 0 358.373 2.696 20 10 FFCDRN COc1ncc(Br)cc1C[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001560534984 1076278056 /nfs/dbraw/zinc/27/80/56/1076278056.db2.gz BDURIXKZHNJRII-UHFFFAOYSA-N 0 0 368.187 2.756 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cn(C)nc2C(C)(C)C)cc1 ZINC001561081776 1076329953 /nfs/dbraw/zinc/32/99/53/1076329953.db2.gz PWPMBNILGWNITJ-UHFFFAOYSA-N 0 0 364.515 2.604 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)N=[S@](C)(=O)C2CCCCC2)cc1 ZINC001561085915 1076330525 /nfs/dbraw/zinc/33/05/25/1076330525.db2.gz NGZYAXXNRCLISU-HSZRJFAPSA-N 0 0 373.544 2.518 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@@H]1CCO[C@H](C)C1 ZINC001561102626 1076332935 /nfs/dbraw/zinc/33/29/35/1076332935.db2.gz RMMVUVXKVNPNFA-NVXWUHKLSA-N 0 0 354.516 2.719 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c(F)c1F ZINC001561181429 1076343403 /nfs/dbraw/zinc/34/34/03/1076343403.db2.gz KDZMZXULYBPSFP-UHFFFAOYSA-N 0 0 358.385 2.957 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc3ccccc3n2)cc1F ZINC001561182156 1076343569 /nfs/dbraw/zinc/34/35/69/1076343569.db2.gz ZTCHDRCKDMKBSY-UHFFFAOYSA-N 0 0 359.426 2.918 20 10 FFCDRN CCc1cc(S(=O)(=O)NCc2ccc(OC)cc2O)c(C)cc1OC ZINC001561507951 1076386142 /nfs/dbraw/zinc/38/61/42/1076386142.db2.gz YQKTVOCOHNPFEY-UHFFFAOYSA-N 0 0 365.451 2.759 20 10 FFCDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cc(Cl)ccc1O ZINC001561724826 1076413051 /nfs/dbraw/zinc/41/30/51/1076413051.db2.gz DXMUPLFHHJYIGT-UHFFFAOYSA-N 0 0 356.787 2.741 20 10 FFCDRN CCOC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1 ZINC001561838088 1076431590 /nfs/dbraw/zinc/43/15/90/1076431590.db2.gz NTMYTRJLNGZYLN-ZDUSSCGKSA-N 0 0 363.435 2.917 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)c(Cl)c1 ZINC001561838376 1076431745 /nfs/dbraw/zinc/43/17/45/1076431745.db2.gz XOHYGKWMLNYFKW-SNVBAGLBSA-N 0 0 369.826 2.872 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc(N2CCNC2=O)cc1 ZINC001562189256 1076481193 /nfs/dbraw/zinc/48/11/93/1076481193.db2.gz BIUVTFYSYFECQZ-UHFFFAOYSA-N 0 0 360.801 2.897 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC/C=C\Cl)cc2F)C[C@H](C)O1 ZINC001563677961 1076575295 /nfs/dbraw/zinc/57/52/95/1076575295.db2.gz CDFJBXJEHXBSPV-FXWHHLEPSA-N 0 0 355.841 2.991 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCc2nc3c(s2)CCC3)cc1F ZINC001563810605 1076585121 /nfs/dbraw/zinc/58/51/21/1076585121.db2.gz IFZTYTVJRJTPKJ-UHFFFAOYSA-N 0 0 362.474 2.879 20 10 FFCDRN Cc1cc(CNC(=O)N2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001565193672 1076695671 /nfs/dbraw/zinc/69/56/71/1076695671.db2.gz GNXZLFLQSQNREF-HLLBOEOZSA-N 0 0 368.481 2.901 20 10 FFCDRN O=C(Cc1cc(F)ccc1O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001565985747 1076829830 /nfs/dbraw/zinc/82/98/30/1076829830.db2.gz KVEDZIOPTDMYJS-UHFFFAOYSA-N 0 0 372.440 2.599 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)c(O)c1 ZINC001565986369 1076830860 /nfs/dbraw/zinc/83/08/60/1076830860.db2.gz XCKOPUIGZQHVCO-UHFFFAOYSA-N 0 0 358.413 2.670 20 10 FFCDRN O=C(N[C@@H]1COc2ccccc2C1=O)c1cc2cc(O)c(O)cc2s1 ZINC001566425403 1076958811 /nfs/dbraw/zinc/95/88/11/1076958811.db2.gz PSLSSLGZWRLVRE-LLVKDONJSA-N 0 0 355.371 2.686 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCc2ccc(N3CCOC3=O)cc2)cc1 ZINC001566740809 1076979203 /nfs/dbraw/zinc/97/92/03/1076979203.db2.gz HKSYMUTZWJIEBT-UHFFFAOYSA-N 0 0 367.365 2.736 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1CCSCC1 ZINC001566848936 1076985609 /nfs/dbraw/zinc/98/56/09/1076985609.db2.gz DGFTVMRBBAZNFR-UHFFFAOYSA-N 0 0 357.859 2.690 20 10 FFCDRN C[C@H](NC(=O)c1cc(C(=O)OC(C)(C)C)n[nH]1)c1ccc(N(C)C)cc1 ZINC001567779368 1077052429 /nfs/dbraw/zinc/05/24/29/1077052429.db2.gz SUWWSJMCDLJOKS-LBPRGKRZSA-N 0 0 358.442 2.922 20 10 FFCDRN Cc1ccc(C(=O)NCCc2nc(-c3ccc(Cl)cc3)n[nH]2)c(O)c1O ZINC001568829731 1077114018 /nfs/dbraw/zinc/11/40/18/1077114018.db2.gz ABUMHHPBNZFKIZ-UHFFFAOYSA-N 0 0 372.812 2.817 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC001569177419 1077133198 /nfs/dbraw/zinc/13/31/98/1077133198.db2.gz KARLMCVXDQJHPU-HDICACEKSA-N 0 0 369.509 2.930 20 10 FFCDRN Cn1c(CCNC(=O)c2ccc(N=NC(N)=O)cc2)nc2ccccc21 ZINC001586181886 1079568229 /nfs/dbraw/zinc/56/82/29/1079568229.db2.gz SAWRMOHERYQRGK-UHFFFAOYSA-N 0 0 350.382 2.708 20 10 FFCDRN CCC(CC)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1O ZINC001586225140 1079578271 /nfs/dbraw/zinc/57/82/71/1079578271.db2.gz GWEZQYDSHLJAMF-UHFFFAOYSA-N 0 0 352.431 2.911 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2COc3cc(F)ccc3C2)cc1 ZINC001586648712 1079662262 /nfs/dbraw/zinc/66/22/62/1079662262.db2.gz ARPHGGIVFZXIOS-MRXNPFEDSA-N 0 0 372.440 2.980 20 10 FFCDRN C[C@H](NC(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C)c1ccccc1O ZINC001587451357 1079795122 /nfs/dbraw/zinc/79/51/22/1079795122.db2.gz RJIRPEXQBYYBJP-ZBEGNZNMSA-N 0 0 372.425 2.785 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(C)c1 ZINC001588472394 1080040578 /nfs/dbraw/zinc/04/05/78/1080040578.db2.gz RQDCJISFIDOWCS-JCNLHEQBSA-N 0 0 360.479 2.708 20 10 FFCDRN CC(=Cc1cccnc1)C(=O)N(C)c1cc(Cl)ccc1-c1nn[nH]n1 ZINC001588772767 1080189699 /nfs/dbraw/zinc/18/96/99/1080189699.db2.gz RKXVWUNSEQSGEY-FLIBITNWSA-N 0 0 354.801 2.981 20 10 FFCDRN Cc1ccc2n[nH]cc2c1C(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001589179966 1080399129 /nfs/dbraw/zinc/39/91/29/1080399129.db2.gz TYTDHYVYQCHHNN-UHFFFAOYSA-N 0 0 363.465 2.553 20 10 FFCDRN C[C@H](Nc1cccc(N2CCCC2=O)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589985549 1080922617 /nfs/dbraw/zinc/92/26/17/1080922617.db2.gz LNTBUXXKBRLWCH-LBPRGKRZSA-N 0 0 364.409 2.872 20 10 FFCDRN CC(=O)N1Cc2ccc(NC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2C1 ZINC000377093257 512121018 /nfs/dbraw/zinc/12/10/18/512121018.db2.gz RCNAGSUNKYKWDG-GFCCVEGCSA-N 0 0 369.421 2.713 20 10 FFCDRN CNc1snc(C)c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000108193704 132242870 /nfs/dbraw/zinc/24/28/70/132242870.db2.gz ULXSKSDUBQBPJY-UHFFFAOYSA-N 0 0 362.524 2.976 20 10 FFCDRN C[C@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000109184256 132244808 /nfs/dbraw/zinc/24/48/08/132244808.db2.gz BWZFYQFOBYMAEG-AWEZNQCLSA-N 0 0 355.394 2.922 20 10 FFCDRN CC(=O)CCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000368928369 512140020 /nfs/dbraw/zinc/14/00/20/512140020.db2.gz FFYFULBLPSJJFI-INIZCTEOSA-N 0 0 352.862 2.886 20 10 FFCDRN CN(C)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000065436772 506298105 /nfs/dbraw/zinc/29/81/05/506298105.db2.gz YSPIJUKUAFOAJV-UHFFFAOYSA-N 0 0 354.454 2.911 20 10 FFCDRN COCC(=O)N1CCc2c1cccc2NC(=O)N(C)Cc1ccccc1O ZINC000375232521 512223094 /nfs/dbraw/zinc/22/30/94/512223094.db2.gz BORYIBMKKDPFGT-UHFFFAOYSA-N 0 0 369.421 2.592 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1c1ncccn1 ZINC000373259493 512244123 /nfs/dbraw/zinc/24/41/23/512244123.db2.gz LEGOPXCODJHDSR-JQHSSLGASA-N 0 0 366.465 2.978 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc2c(c1)OCO2 ZINC000053752878 506439595 /nfs/dbraw/zinc/43/95/95/506439595.db2.gz ZFZSFFIWNDEHDI-UHFFFAOYSA-N 0 0 355.394 2.574 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000054284837 506532099 /nfs/dbraw/zinc/53/20/99/506532099.db2.gz AJHATPBEHZPQQM-LJQANCHMSA-N 0 0 372.852 2.797 20 10 FFCDRN C[C@@H]1c2cccn2CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786735 506622861 /nfs/dbraw/zinc/62/28/61/506622861.db2.gz WXXDEUIGSMDOMX-MRXNPFEDSA-N 0 0 354.454 2.611 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CC(=O)N(C)c3ccccc32)cc1 ZINC000028495494 507728056 /nfs/dbraw/zinc/72/80/56/507728056.db2.gz PRFDMHOZUQWIKT-SFHVURJKSA-N 0 0 351.450 2.861 20 10 FFCDRN Cc1cc([C@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000051475449 507772234 /nfs/dbraw/zinc/77/22/34/507772234.db2.gz YUWUQUNZIPAEQO-LJQANCHMSA-N 0 0 356.470 2.845 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCNC(=O)c2ccccc2Cl)cc1 ZINC000031092113 507817298 /nfs/dbraw/zinc/81/72/98/507817298.db2.gz DXFORGSQNDCVKB-UHFFFAOYSA-N 0 0 374.872 2.635 20 10 FFCDRN COCCCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000079998849 508025297 /nfs/dbraw/zinc/02/52/97/508025297.db2.gz BJAGDEGECMSQJR-HUUCEWRRSA-N 0 0 367.465 2.665 20 10 FFCDRN CC(C)C[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000092599715 508086097 /nfs/dbraw/zinc/08/60/97/508086097.db2.gz OZYZFOHLRWTLAD-AWEZNQCLSA-N 0 0 354.472 2.805 20 10 FFCDRN COc1cc(N(C)Cc2ncn(-c3ccccc3)n2)cc(OC)c1OC ZINC000092797786 508101295 /nfs/dbraw/zinc/10/12/95/508101295.db2.gz WLQBFBAFFHXWFD-UHFFFAOYSA-N 0 0 354.410 2.930 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N(C)CCn3cccn3)cc2)CC1 ZINC000111498740 508104350 /nfs/dbraw/zinc/10/43/50/508104350.db2.gz NRUGOKDRDFQFRT-UHFFFAOYSA-N 0 0 355.486 2.961 20 10 FFCDRN Cc1nn(C)c(C)c1-c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)[nH]n1 ZINC000097357398 508223909 /nfs/dbraw/zinc/22/39/09/508223909.db2.gz ZZILFYUHMAMPHA-UHFFFAOYSA-N 0 0 366.469 2.765 20 10 FFCDRN COC(=O)c1ncn(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)n1 ZINC000076608815 508230853 /nfs/dbraw/zinc/23/08/53/508230853.db2.gz XXYHFJVEJLEOQL-UHFFFAOYSA-N 0 0 352.394 2.664 20 10 FFCDRN COCc1ccccc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084815090 508293941 /nfs/dbraw/zinc/29/39/41/508293941.db2.gz NHAQEYXUEMKCQT-UHFFFAOYSA-N 0 0 358.413 2.943 20 10 FFCDRN Cc1cc(C(=O)N2CCC(N3CCCC3=O)CC2)c(C)n1-c1ccccn1 ZINC000104624559 508340352 /nfs/dbraw/zinc/34/03/52/508340352.db2.gz LIHAAZSTDBABQF-UHFFFAOYSA-N 0 0 366.465 2.716 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC(C4CCOCC4)CC3)cc2N1 ZINC000133500269 508408006 /nfs/dbraw/zinc/40/80/06/508408006.db2.gz PJQOJRPBPWZELV-UHFFFAOYSA-N 0 0 361.398 2.569 20 10 FFCDRN C[C@@H]1C[C@@H](c2ccccc2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000115721046 508431140 /nfs/dbraw/zinc/43/11/40/508431140.db2.gz IUNSLCILHRXJHD-UKRRQHHQSA-N 0 0 374.462 2.782 20 10 FFCDRN C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000115721041 508431164 /nfs/dbraw/zinc/43/11/64/508431164.db2.gz IUNSLCILHRXJHD-HIFRSBDPSA-N 0 0 374.462 2.782 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H](c1ccccc1)N1CCCCC1=O ZINC000156624224 508452633 /nfs/dbraw/zinc/45/26/33/508452633.db2.gz QWHJFUGGMZXQSK-FQEVSTJZSA-N 0 0 368.433 2.510 20 10 FFCDRN COc1ccc([C@@H]2[C@H](C(=O)N(C)Cc3ccccc3O)CC(=O)N2C)cc1 ZINC000116443147 508514830 /nfs/dbraw/zinc/51/48/30/508514830.db2.gz DFMMGJYVPYVTKO-YLJYHZDGSA-N 0 0 368.433 2.579 20 10 FFCDRN CN(Cc1nccn1C(F)F)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000128016852 508535566 /nfs/dbraw/zinc/53/55/66/508535566.db2.gz WBVDRJKXPQJIBC-UHFFFAOYSA-N 0 0 361.396 2.996 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000116609508 508538063 /nfs/dbraw/zinc/53/80/63/508538063.db2.gz HOUARDARGBINHT-UHFFFAOYSA-N 0 0 363.439 2.635 20 10 FFCDRN CC(=O)N1CCN(c2ccc(OC[C@H](O)c3ccc(F)cc3)cc2)CC1 ZINC000153174254 508555504 /nfs/dbraw/zinc/55/55/04/508555504.db2.gz QHXUFKZABNZJEG-FQEVSTJZSA-N 0 0 358.413 2.607 20 10 FFCDRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)N(C)Cc1ccccc1O ZINC000117015243 508576025 /nfs/dbraw/zinc/57/60/25/508576025.db2.gz RGCXHAGGRMOMIY-UHFFFAOYSA-N 0 0 362.451 2.909 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)c3cccnc3)CC2)cc1F ZINC000128746995 508637861 /nfs/dbraw/zinc/63/78/61/508637861.db2.gz QKKGIOWXVGAGJZ-AWEZNQCLSA-N 0 0 358.417 2.822 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](c3cccc(O)c3)C2)cc1F ZINC000137990178 508768006 /nfs/dbraw/zinc/76/80/06/508768006.db2.gz BFYPJKLTIPNRBV-LJQANCHMSA-N 0 0 373.428 2.880 20 10 FFCDRN COc1cccc(CNC(=O)NCCCc2nc3ccccc3[nH]2)c1O ZINC000119504773 508808781 /nfs/dbraw/zinc/80/87/81/508808781.db2.gz IDNCNKFKTJYXJF-UHFFFAOYSA-N 0 0 354.410 2.709 20 10 FFCDRN COCCC1(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCCC1 ZINC000124424266 508829789 /nfs/dbraw/zinc/82/97/89/508829789.db2.gz ZUCMOLJIXQPXBO-UHFFFAOYSA-N 0 0 364.461 2.875 20 10 FFCDRN Cc1noc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)n1 ZINC000120075269 508922226 /nfs/dbraw/zinc/92/22/26/508922226.db2.gz MWXYUBSBXGOIRZ-SFHVURJKSA-N 0 0 372.469 2.584 20 10 FFCDRN COCC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000120376866 508983962 /nfs/dbraw/zinc/98/39/62/508983962.db2.gz IRGIDPUVWLMCMX-UHFFFAOYSA-N 0 0 374.403 2.831 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000120567978 509023257 /nfs/dbraw/zinc/02/32/57/509023257.db2.gz IYSVRVLHOLNLHS-GFCCVEGCSA-N 0 0 361.471 2.633 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000155666053 509048929 /nfs/dbraw/zinc/04/89/29/509048929.db2.gz FCYZDBKAFMPPLF-QGZVFWFLSA-N 0 0 351.454 2.875 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000132631939 509055250 /nfs/dbraw/zinc/05/52/50/509055250.db2.gz KORPOJYHTLHVRM-INIZCTEOSA-N 0 0 368.485 2.837 20 10 FFCDRN Cc1noc(C)c1[C@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000132732051 509069001 /nfs/dbraw/zinc/06/90/01/509069001.db2.gz HBRWRDGFSAXGKM-CQSZACIVSA-N 0 0 357.454 2.938 20 10 FFCDRN COc1cccc(CNC(=O)NCCCc2ccc(OC)c(OC)c2)c1O ZINC000266774759 509186965 /nfs/dbraw/zinc/18/69/65/509186965.db2.gz QVYLJZPOYDLFQO-UHFFFAOYSA-N 0 0 374.437 2.850 20 10 FFCDRN Cc1cc(C)c(N2C[C@@H](C(=O)NCc3ccc(O)c(O)c3)CC2=O)c(C)c1 ZINC000182534592 509290748 /nfs/dbraw/zinc/29/07/48/509290748.db2.gz DTSQABUKVOTNRN-INIZCTEOSA-N 0 0 368.433 2.692 20 10 FFCDRN CCCC(=O)N1CCCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188909816 509320692 /nfs/dbraw/zinc/32/06/92/509320692.db2.gz CTOKCHHLRDHGFR-QGZVFWFLSA-N 0 0 359.470 2.659 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCCN(C(C)=O)CC3)ccc21 ZINC000264102973 509331800 /nfs/dbraw/zinc/33/18/00/509331800.db2.gz HWVYZUIRBAWNCC-UHFFFAOYSA-N 0 0 371.481 2.599 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000264143971 509349347 /nfs/dbraw/zinc/34/93/47/509349347.db2.gz VBECJUXZRYSDRY-AWEZNQCLSA-N 0 0 361.467 2.992 20 10 FFCDRN COc1ccc(Cl)cc1CN1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000164489846 509505829 /nfs/dbraw/zinc/50/58/29/509505829.db2.gz CXSGGMJHXAJWBG-UHFFFAOYSA-N 0 0 373.884 2.818 20 10 FFCDRN Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(O)c1O ZINC000267560966 509542452 /nfs/dbraw/zinc/54/24/52/509542452.db2.gz GJGKDCVDWGISHV-OAHLLOKOSA-N 0 0 357.406 2.933 20 10 FFCDRN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)Cc2ccc(N)cc2)c1 ZINC000237005747 509549965 /nfs/dbraw/zinc/54/99/65/509549965.db2.gz NHHYTPNZSQUULF-ZDUSSCGKSA-N 0 0 361.467 2.527 20 10 FFCDRN Cc1nn(C)c(C)c1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000173477311 509625597 /nfs/dbraw/zinc/62/55/97/509625597.db2.gz ZLCIKVIYVJJSFJ-KRWDZBQOSA-N 0 0 372.469 2.633 20 10 FFCDRN CC(=O)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000264690562 509648308 /nfs/dbraw/zinc/64/83/08/509648308.db2.gz ABPMNNBAFPUEOH-UHFFFAOYSA-N 0 0 370.424 2.919 20 10 FFCDRN COCc1cccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000264689258 509648441 /nfs/dbraw/zinc/64/84/41/509648441.db2.gz CPBICKXSCKNTND-JXMROGBWSA-N 0 0 366.461 2.999 20 10 FFCDRN Cc1ccc(C(=O)NC2CCN(C(=O)Cc3ccc(N)cc3)CC2)s1 ZINC000237623620 509694915 /nfs/dbraw/zinc/69/49/15/509694915.db2.gz UJINGCKNFDABHM-UHFFFAOYSA-N 0 0 357.479 2.602 20 10 FFCDRN COc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccc1O ZINC000268076463 509745811 /nfs/dbraw/zinc/74/58/11/509745811.db2.gz MVGSBLQUUNSMAE-INIZCTEOSA-N 0 0 357.406 2.928 20 10 FFCDRN CCCc1csc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000193044364 509750918 /nfs/dbraw/zinc/75/09/18/509750918.db2.gz RWWJAJMTFLGXTB-UHFFFAOYSA-N 0 0 373.478 2.935 20 10 FFCDRN Nc1ccc(CC(=O)N2CCC(NC(=O)Nc3ccccc3)CC2)cc1 ZINC000237885923 509762801 /nfs/dbraw/zinc/76/28/01/509762801.db2.gz ZNUWTDUOPZRAJH-UHFFFAOYSA-N 0 0 352.438 2.624 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COc3ccsc3C(C)=O)CC2)cc1 ZINC000186576479 509780797 /nfs/dbraw/zinc/78/07/97/509780797.db2.gz AZNVWZGLQXPPPT-UHFFFAOYSA-N 0 0 374.462 2.687 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H](c2ccccc2)N2CCC(O)CC2)cc1 ZINC000170799812 509783748 /nfs/dbraw/zinc/78/37/48/509783748.db2.gz SXJDBCIHOPHTPF-NRFANRHFSA-N 0 0 367.493 2.567 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@H](c3ccsc3)C2)cc1 ZINC000176967431 509789905 /nfs/dbraw/zinc/78/99/05/509789905.db2.gz QFONYQQHMUEHJX-IBGZPJMESA-N 0 0 373.522 2.846 20 10 FFCDRN CCNc1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000176978547 509796452 /nfs/dbraw/zinc/79/64/52/509796452.db2.gz OGXMBZUAYPMSLJ-UHFFFAOYSA-N 0 0 360.483 2.684 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3ccccn3)CC2)c1O ZINC000177018957 509822878 /nfs/dbraw/zinc/82/28/78/509822878.db2.gz PRVVYMCSDIQCGL-UHFFFAOYSA-N 0 0 373.840 2.601 20 10 FFCDRN Cc1ccc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1O ZINC000180319087 509865947 /nfs/dbraw/zinc/86/59/47/509865947.db2.gz RQIBUBWMGIRRLM-UHFFFAOYSA-N 0 0 368.477 2.768 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC000186800967 509902117 /nfs/dbraw/zinc/90/21/17/509902117.db2.gz RVZIJCKSCXOYHX-UHFFFAOYSA-N 0 0 370.409 2.958 20 10 FFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3ccc(C)c(O)c3)c2)CC1 ZINC000187120106 510068509 /nfs/dbraw/zinc/06/85/09/510068509.db2.gz YFOLFXPDXGJFIX-UHFFFAOYSA-N 0 0 353.422 2.621 20 10 FFCDRN CC(=O)c1ccccc1C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 ZINC000187121972 510070078 /nfs/dbraw/zinc/07/00/78/510070078.db2.gz NWSMCTMWJFANHL-UHFFFAOYSA-N 0 0 365.433 2.810 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1O ZINC000180795626 510114294 /nfs/dbraw/zinc/11/42/94/510114294.db2.gz PHUMWPSEPXJHTN-UHFFFAOYSA-N 0 0 354.450 2.839 20 10 FFCDRN CCOC(=O)Cc1cccc(NC(=O)NCc2cccc(OC)c2O)c1 ZINC000265720456 510194932 /nfs/dbraw/zinc/19/49/32/510194932.db2.gz OPADGZHEJRWQHT-UHFFFAOYSA-N 0 0 358.394 2.828 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)ccc3F)cc2)CC1 ZINC000190572295 510214945 /nfs/dbraw/zinc/21/49/45/510214945.db2.gz SGEVNCQPYZVKDB-UHFFFAOYSA-N 0 0 369.440 2.733 20 10 FFCDRN Cn1cc(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000174652826 510230256 /nfs/dbraw/zinc/23/02/56/510230256.db2.gz YVADTRZFVRKLPQ-LBPRGKRZSA-N 0 0 365.384 2.812 20 10 FFCDRN C=Cc1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1 ZINC000190604073 510234796 /nfs/dbraw/zinc/23/47/96/510234796.db2.gz KOTVOMKTVUXSEB-UHFFFAOYSA-N 0 0 363.461 2.928 20 10 FFCDRN O[C@H](CN(Cc1cccs1)c1ccc2c(c1)OCCO2)Cn1cccn1 ZINC000171638569 510268130 /nfs/dbraw/zinc/26/81/30/510268130.db2.gz AXCAVRLBTFQTIA-MRXNPFEDSA-N 0 0 371.462 2.784 20 10 FFCDRN Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000269203787 510289713 /nfs/dbraw/zinc/28/97/13/510289713.db2.gz MPEUZBQINPGKMH-UHFFFAOYSA-N 0 0 354.410 2.704 20 10 FFCDRN C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000269228910 510302345 /nfs/dbraw/zinc/30/23/45/510302345.db2.gz SQMYZJVMYOALNL-BLLLJJGKSA-N 0 0 354.406 2.665 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)Cc3cc(C)n[nH]3)CC2)cc1 ZINC000177892346 510313333 /nfs/dbraw/zinc/31/33/33/510313333.db2.gz JHGMSYCHSGLDKF-OAHLLOKOSA-N 0 0 371.485 2.580 20 10 FFCDRN C[C@@H]1c2cccn2CCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000171706223 510321273 /nfs/dbraw/zinc/32/12/73/510321273.db2.gz GXAMFTSTMCEFSP-RCMYXZNBSA-N 0 0 351.450 2.941 20 10 FFCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000262606201 510332816 /nfs/dbraw/zinc/33/28/16/510332816.db2.gz GFYNIFRCKZFBKV-ZDUSSCGKSA-N 0 0 352.438 2.973 20 10 FFCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000262606199 510333730 /nfs/dbraw/zinc/33/37/30/510333730.db2.gz GFYNIFRCKZFBKV-CYBMUJFWSA-N 0 0 352.438 2.973 20 10 FFCDRN COc1cccc(NC(=O)CN(C)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000266005768 510354581 /nfs/dbraw/zinc/35/45/81/510354581.db2.gz QAAWXKQZVLQQMB-UHFFFAOYSA-N 0 0 360.410 2.796 20 10 FFCDRN C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1[O-] ZINC000187920157 510501206 /nfs/dbraw/zinc/50/12/06/510501206.db2.gz IQNRGSVCCCDDAL-LLVKDONJSA-N 0 0 367.371 2.892 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)cc1 ZINC000172168194 510580040 /nfs/dbraw/zinc/58/00/40/510580040.db2.gz CWMHGFBMFGRDAR-WCIQWLHISA-N 0 0 358.482 2.828 20 10 FFCDRN Nc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc(Cl)n1 ZINC000172229642 510610636 /nfs/dbraw/zinc/61/06/36/510610636.db2.gz XPJJVXFODFPIBI-CQSZACIVSA-N 0 0 361.829 2.844 20 10 FFCDRN COCCCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266490798 510619124 /nfs/dbraw/zinc/61/91/24/510619124.db2.gz JSKHNBZWKIQJDX-CQSZACIVSA-N 0 0 371.428 2.983 20 10 FFCDRN CCCNC(=O)CCC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000266546127 510651400 /nfs/dbraw/zinc/65/14/00/510651400.db2.gz QPEXURRQVCONAE-UHFFFAOYSA-N 0 0 371.275 2.810 20 10 FFCDRN O=C(NCCOc1cccc(C(F)(F)F)n1)NCc1ccccc1O ZINC000270247172 510733115 /nfs/dbraw/zinc/73/31/15/510733115.db2.gz DQXHSWHZBVFADH-UHFFFAOYSA-N 0 0 355.316 2.684 20 10 FFCDRN Nc1ccc(CNC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)cc1 ZINC000297304151 510895738 /nfs/dbraw/zinc/89/57/38/510895738.db2.gz VSKDWPPJLCZPBQ-UHFFFAOYSA-N 0 0 362.433 2.635 20 10 FFCDRN C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccco3)cc2F)C[C@H](C)O1 ZINC000275410905 510900336 /nfs/dbraw/zinc/90/03/36/510900336.db2.gz AXUNTUKBGOUSII-STQMWFEESA-N 0 0 368.430 2.511 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Nc1cccc(C(N)=O)n1 ZINC000275602210 510907207 /nfs/dbraw/zinc/90/72/07/510907207.db2.gz HCTLUFAJZVKFEE-UHFFFAOYSA-N 0 0 355.442 2.689 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2nnc(C(C)C)[nH]2)cc1F ZINC000297341801 510910368 /nfs/dbraw/zinc/91/03/68/510910368.db2.gz SNZKHPCVJHLCKL-UHFFFAOYSA-N 0 0 362.453 2.913 20 10 FFCDRN COC(=O)c1ccc(C)c(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000275876890 510920662 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CCOC1(C)CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000292878413 511754371 /nfs/dbraw/zinc/75/43/71/511754371.db2.gz PJSHVIBCRCOCTP-RMKNXTFCSA-N 0 0 358.482 2.954 20 10 FFCDRN COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000363905689 511843035 /nfs/dbraw/zinc/84/30/35/511843035.db2.gz DZVRESMLKWTRIA-LLVKDONJSA-N 0 0 371.224 2.524 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)N[C@@H](c1nccs1)C(F)(F)F ZINC000296728424 511872402 /nfs/dbraw/zinc/87/24/02/511872402.db2.gz CBDKOVIEUHXFOL-NSHDSACASA-N 0 0 361.345 2.700 20 10 FFCDRN COCc1nc2sc(C(=O)NCc3ccc(N)cc3)c(C)c2c(OC)n1 ZINC000296818388 511911036 /nfs/dbraw/zinc/91/10/36/511911036.db2.gz AJLTVAXHVUFENC-UHFFFAOYSA-N 0 0 372.450 2.667 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000296871936 511931536 /nfs/dbraw/zinc/93/15/36/511931536.db2.gz KAXUCOQWGREUER-ZDUSSCGKSA-N 0 0 368.433 2.663 20 10 FFCDRN O=S1(=O)C[C@@H](NCc2cc(Br)ccc2O)c2ccccc21 ZINC000364058957 511936146 /nfs/dbraw/zinc/93/61/46/511936146.db2.gz 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512089445 /nfs/dbraw/zinc/08/94/45/512089445.db2.gz DSKJMFPKAGXNJX-RMKNXTFCSA-N 0 0 355.438 2.712 20 10 FFCDRN O=C1CCC[C@H]1[C@H]1COCCN1Cc1cc(Br)ccc1O ZINC000373705797 512465935 /nfs/dbraw/zinc/46/59/35/512465935.db2.gz BBPDAVYWCYRVEC-UONOGXRCSA-N 0 0 354.244 2.725 20 10 FFCDRN Cc1nnsc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000373755929 512489061 /nfs/dbraw/zinc/48/90/61/512489061.db2.gz AHYLIGMHBJEOLM-UHFFFAOYSA-N 0 0 368.409 2.847 20 10 FFCDRN COC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(F)cc(C(C)=O)c2O)C1 ZINC000367530136 512545858 /nfs/dbraw/zinc/54/58/58/512545858.db2.gz AKOPIEHGIQEOIS-HNNXBMFYSA-N 0 0 363.307 2.661 20 10 FFCDRN CCN(CCCO)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000371837594 512597076 /nfs/dbraw/zinc/59/70/76/512597076.db2.gz VYUUIKXXMGTLGH-UHFFFAOYSA-N 0 0 371.428 2.671 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(c2ccccc2F)CC1 ZINC000367826605 512678963 /nfs/dbraw/zinc/67/89/63/512678963.db2.gz OQGIYSXGFQKQGS-VQHVLOKHSA-N 0 0 356.397 2.989 20 10 FFCDRN COc1ccc(O)c(CN2CCn3c(Cc4ccccc4)nnc3C2)c1 ZINC000378439906 512760720 /nfs/dbraw/zinc/76/07/20/512760720.db2.gz WWHAUVGINXMADF-UHFFFAOYSA-N 0 0 350.422 2.599 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC[C@H]2CC(c3ccc(C)cc3)=NO2)c1 ZINC000374316002 512762525 /nfs/dbraw/zinc/76/25/25/512762525.db2.gz WOYHVHSNPKTPMT-QGZVFWFLSA-N 0 0 369.421 2.702 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](C)[C@H]2OCCc3sccc32)c(O)c1 ZINC000368362494 512913988 /nfs/dbraw/zinc/91/39/88/512913988.db2.gz GIASVMGXUGLBEI-PIGZYNQJSA-N 0 0 362.451 2.964 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)c(O)c1 ZINC000368362493 512914024 /nfs/dbraw/zinc/91/40/24/512914024.db2.gz GIASVMGXUGLBEI-GTNSWQLSSA-N 0 0 362.451 2.964 20 10 FFCDRN CO[C@@H]1CCN2C(=O)N(Cc3ccc(N4CCC(C)CC4)cc3)C(=O)[C@@H]2C1 ZINC000372865804 513079673 /nfs/dbraw/zinc/07/96/73/513079673.db2.gz LWQXYYUJZPEGPT-MOPGFXCFSA-N 0 0 371.481 2.865 20 10 FFCDRN COc1c(O)c(CN2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000372957601 513114805 /nfs/dbraw/zinc/11/48/05/513114805.db2.gz ZZCHZEUHSWMURO-MRXNPFEDSA-N 0 0 360.366 2.588 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNc1ccc(C(=O)NCCC(N)=O)cc1 ZINC000431029895 513808905 /nfs/dbraw/zinc/80/89/05/513808905.db2.gz HSWXCALKONQFAB-UHFFFAOYSA-N 0 0 364.449 2.704 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCCNC(=O)c1cccnc1 ZINC000471226717 514805302 /nfs/dbraw/zinc/80/53/02/514805302.db2.gz FOABFWNNUZBYTH-UHFFFAOYSA-N 0 0 364.449 2.708 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccnc1N(C)C ZINC000471586363 514942488 /nfs/dbraw/zinc/94/24/88/514942488.db2.gz PAWDJQDVVVSQKV-UHFFFAOYSA-N 0 0 351.454 2.947 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCn2c(nnc2C(C)C)C1 ZINC000472236072 515178733 /nfs/dbraw/zinc/17/87/33/515178733.db2.gz DQCXPMXRWNKBGS-UHFFFAOYSA-N 0 0 366.469 2.927 20 10 FFCDRN CCO[C@@H]1C[C@@](O)(CNC(=O)NCc2c(C)c3ccccc3n2C)C1(C)C ZINC000472273614 515194404 /nfs/dbraw/zinc/19/44/04/515194404.db2.gz GCVCWPHFLDYLFW-WIYYLYMNSA-N 0 0 373.497 2.852 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CNC(=O)c1cc(F)cc(F)c1 ZINC000473258893 515554593 /nfs/dbraw/zinc/55/45/93/515554593.db2.gz AUKXTUHSNJFOFU-UHFFFAOYSA-N 0 0 371.387 2.811 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc2c1OCCO2 ZINC000543887975 516482385 /nfs/dbraw/zinc/48/23/85/516482385.db2.gz QJLBFFBYWHDMMS-UHFFFAOYSA-N 0 0 355.394 2.955 20 10 FFCDRN O=C(Cn1ccc(C(F)F)n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000528880906 516769723 /nfs/dbraw/zinc/76/97/23/516769723.db2.gz GIRWBKXWQIXRHM-CQSZACIVSA-N 0 0 365.380 2.734 20 10 FFCDRN C[C@]1(Br)C[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000529391063 517119900 /nfs/dbraw/zinc/11/99/00/517119900.db2.gz XHAKZGPOPSWKTM-CABZTGNLSA-N 0 0 363.049 2.944 20 10 FFCDRN Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000525942366 517247723 /nfs/dbraw/zinc/24/77/23/517247723.db2.gz AOYLUFGTENPHGW-UHFFFAOYSA-N 0 0 362.437 2.644 20 10 FFCDRN COc1ncccc1CCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000578586300 518275750 /nfs/dbraw/zinc/27/57/50/518275750.db2.gz QOMFWEUQIRTVDW-UHFFFAOYSA-N 0 0 352.438 2.932 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3nn4cnnc4s3)ccc21 ZINC000590807769 519380375 /nfs/dbraw/zinc/38/03/75/519380375.db2.gz UHJLDGXBNGELRN-UHFFFAOYSA-N 0 0 370.438 2.656 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000597320888 519954670 /nfs/dbraw/zinc/95/46/70/519954670.db2.gz VYJVJZMHNGGWNZ-KRWDZBQOSA-N 0 0 360.454 2.846 20 10 FFCDRN CNc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1[N+](=O)[O-] ZINC000610311067 520632551 /nfs/dbraw/zinc/63/25/51/520632551.db2.gz RMGRIHMDPXXDDG-UHFFFAOYSA-N 0 0 356.382 2.742 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000625916015 521782802 /nfs/dbraw/zinc/78/28/02/521782802.db2.gz HAONYOFGYGUQKI-CQSZACIVSA-N 0 0 356.397 2.868 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821221099 607305382 /nfs/dbraw/zinc/30/53/82/607305382.db2.gz IFTIGXNZUTYHJH-UHFFFAOYSA-N 0 0 367.413 2.867 20 10 FFCDRN Fc1ccc(NNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)cc1 ZINC000737656570 598317966 /nfs/dbraw/zinc/31/79/66/598317966.db2.gz OPJVCMBMZNKNEB-UHFFFAOYSA-N 0 0 363.809 2.973 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)C2CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234336 598610638 /nfs/dbraw/zinc/61/06/38/598610638.db2.gz PJVHKOMUNBWMGE-LBPRGKRZSA-N 0 0 350.426 2.803 20 10 FFCDRN CC(=O)CCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000735458195 598622666 /nfs/dbraw/zinc/62/26/66/598622666.db2.gz IZHKLWYNFFPBGE-UHFFFAOYSA-N 0 0 367.409 2.800 20 10 FFCDRN Fc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c(-c2nn[nH]n2)c1 ZINC000822782966 599486614 /nfs/dbraw/zinc/48/66/14/599486614.db2.gz NXDDVAMLLPZXFK-UHFFFAOYSA-N 0 0 372.379 2.594 20 10 FFCDRN O=C([O-])C[N@@H+](CC[S@](=O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000739793605 600315956 /nfs/dbraw/zinc/31/59/56/600315956.db2.gz IDZRFTGKCLLQBB-DEOSSOPVSA-N 0 0 367.854 2.740 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(OC)c(-c3nn[nH]n3)c2)cc1OC ZINC000826208972 607489384 /nfs/dbraw/zinc/48/93/84/607489384.db2.gz IGSNVKSICDRRQC-UHFFFAOYSA-N 0 0 355.398 2.529 20 10 FFCDRN C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2c[nH]c(C(=O)[O-])c2)SC1=S ZINC000830596353 601789205 /nfs/dbraw/zinc/78/92/05/601789205.db2.gz IXJYAKVFDQUILI-SDQBBNPISA-N 0 0 367.496 2.502 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1O ZINC000833307573 604640133 /nfs/dbraw/zinc/64/01/33/604640133.db2.gz JHHBYJQFKATOEN-IRXDYDNUSA-N 0 0 359.447 2.950 20 10 FFCDRN C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000833812367 605599639 /nfs/dbraw/zinc/59/96/39/605599639.db2.gz IYOGZRQXOBKFFP-GDBMZVCRSA-N 0 0 365.449 2.530 20 10 FFCDRN Fc1ccc2c(C3=CCN(c4ccc(-c5nn[nH]n5)nn4)CC3)c[nH]c2c1 ZINC000826375898 608400451 /nfs/dbraw/zinc/40/04/51/608400451.db2.gz GOEGQKUPNZYQMA-UHFFFAOYSA-N 0 0 362.372 2.571 20 10 FFCDRN Cc1noc(C2CCN(C(=O)NCCCSc3nccs3)CC2)n1 ZINC000154580577 728807414 /nfs/dbraw/zinc/80/74/14/728807414.db2.gz ZQUWGZWXKAFXMU-UHFFFAOYSA-N 0 0 367.500 2.906 20 10 FFCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1nncn1C ZINC000156523450 728853431 /nfs/dbraw/zinc/85/34/31/728853431.db2.gz QNJVGRHHIMTUPK-UHFFFAOYSA-N 0 0 357.439 2.762 20 10 FFCDRN CC(C)c1n[nH]c(C(=O)NCc2ccc(O)c(O)c2)c1Br ZINC000158894584 728896125 /nfs/dbraw/zinc/89/61/25/728896125.db2.gz BMBMHHINDAWNFI-UHFFFAOYSA-N 0 0 354.204 2.637 20 10 FFCDRN CCn1c2ccccc2nc1SCC(=O)NCc1ccc(O)c(O)c1 ZINC000158915899 728896935 /nfs/dbraw/zinc/89/69/35/728896935.db2.gz QOYBQSVHDHTHBB-UHFFFAOYSA-N 0 0 357.435 2.876 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccc(C)c3ncccc23)c1O ZINC000161109848 728929299 /nfs/dbraw/zinc/92/92/99/728929299.db2.gz VOYJVXPIRNGMLC-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN COC1([C@H](C)NC(=O)c2cc3cc(O)c(O)cc3s2)CCOCC1 ZINC000898003110 735302230 /nfs/dbraw/zinc/30/22/30/735302230.db2.gz ZSEHGOYKXGNFFV-JTQLQIEISA-N 0 0 351.424 2.626 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1nn2c(c1Br)CCC2 ZINC000898276505 735335543 /nfs/dbraw/zinc/33/55/43/735335543.db2.gz BNAHKSDGCXFQSM-UHFFFAOYSA-N 0 0 370.634 2.881 20 10 FFCDRN O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cc(Cl)c(F)cc3[O-])C2)c1Cl ZINC000898367983 735348461 /nfs/dbraw/zinc/34/84/61/735348461.db2.gz IGYZSUFLNUERPS-VIFPVBQESA-N 0 0 373.215 2.702 20 10 FFCDRN COc1cccc(CNC(=O)NCc2cn3cc(Cl)ccc3n2)c1O ZINC000745427963 735420463 /nfs/dbraw/zinc/42/04/63/735420463.db2.gz FEZZUUSUTURPNK-UHFFFAOYSA-N 0 0 360.801 2.701 20 10 FFCDRN COc1ccc(N2CCN([C@@H](C)C(=O)NCc3cccs3)CC2)cc1 ZINC000008340591 727801834 /nfs/dbraw/zinc/80/18/34/727801834.db2.gz XHKHJNVBGMOPGX-HNNXBMFYSA-N 0 0 359.495 2.584 20 10 FFCDRN O=C(CCNC(=O)c1cccs1)NCc1ccc(N2CCCC2)cc1 ZINC000041365370 727939934 /nfs/dbraw/zinc/93/99/34/727939934.db2.gz AOICMVONIAUHFA-UHFFFAOYSA-N 0 0 357.479 2.785 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC(C)(C)O1 ZINC000068548120 728191924 /nfs/dbraw/zinc/19/19/24/728191924.db2.gz TVHVOEUTSAUHIJ-OAHLLOKOSA-N 0 0 363.527 2.949 20 10 FFCDRN CSCC[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000077998340 728290840 /nfs/dbraw/zinc/29/08/40/728290840.db2.gz UMKDMRXTJVRRFI-OAHLLOKOSA-N 0 0 351.516 2.806 20 10 FFCDRN Cn1c2ccccc2n2c(SCC(=O)c3ccc(O)c(O)c3)nnc12 ZINC000080305439 728325592 /nfs/dbraw/zinc/32/55/92/728325592.db2.gz KNECSEUVQPCDSP-UHFFFAOYSA-N 0 0 354.391 2.607 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092070408 728464570 /nfs/dbraw/zinc/46/45/70/728464570.db2.gz FOHIIRYPSUOJRZ-LBPRGKRZSA-N 0 0 351.248 2.658 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(Cl)c(F)c2)c1 ZINC000094015655 728479171 /nfs/dbraw/zinc/47/91/71/728479171.db2.gz FHIITZORYNEWTH-UHFFFAOYSA-N 0 0 358.778 2.809 20 10 FFCDRN COC(=O)CN(CC(=O)Nc1ccccc1)Cc1cc(Cl)ccc1O ZINC000109779798 728528947 /nfs/dbraw/zinc/52/89/47/728528947.db2.gz XJYXREAOXMFENL-UHFFFAOYSA-N 0 0 362.813 2.659 20 10 FFCDRN CCS(=O)(=O)c1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000114140022 728559140 /nfs/dbraw/zinc/55/91/40/728559140.db2.gz ZHFBEJVQPCMKFN-UHFFFAOYSA-N 0 0 370.521 2.849 20 10 FFCDRN Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCCSc1nccs1 ZINC000114374476 728560008 /nfs/dbraw/zinc/56/00/08/728560008.db2.gz XUGCMXAZHQATEW-UHFFFAOYSA-N 0 0 370.521 2.767 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Cl)cc2Cl)c1 ZINC000114612050 728561619 /nfs/dbraw/zinc/56/16/19/728561619.db2.gz VEZDAEZVZNTOLM-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1csc(-c2cnn(C)c2)n1 ZINC000115279506 728564657 /nfs/dbraw/zinc/56/46/57/728564657.db2.gz JDVGYCJAQUDIOM-UHFFFAOYSA-N 0 0 355.467 2.848 20 10 FFCDRN CCCOc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OC ZINC000747148165 735538726 /nfs/dbraw/zinc/53/87/26/735538726.db2.gz ODLNEJSQTOKPGT-VBKFSLOCSA-N 0 0 362.451 2.787 20 10 FFCDRN O=C(COc1cccc(Br)c1)NCCc1ccc(O)c(O)c1 ZINC000120414284 728610741 /nfs/dbraw/zinc/61/07/41/728610741.db2.gz DZOCHSWMDYYZFF-UHFFFAOYSA-N 0 0 366.211 2.598 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(F)cc1CS(C)(=O)=O ZINC000120502550 728612082 /nfs/dbraw/zinc/61/20/82/728612082.db2.gz NQOKYECDDCAWEZ-UHFFFAOYSA-N 0 0 366.414 2.740 20 10 FFCDRN COc1ccc(N(C)CCOc2cccc(S(C)(=O)=O)c2)cc1F ZINC000121817091 728639652 /nfs/dbraw/zinc/63/96/52/728639652.db2.gz ZWVJHPQECMOBTO-UHFFFAOYSA-N 0 0 353.415 2.753 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H]([C@@H](C)O)C2)cc1F ZINC000121843400 728640280 /nfs/dbraw/zinc/64/02/80/728640280.db2.gz ROARGEPBNVHRNM-GDBMZVCRSA-N 0 0 351.466 2.974 20 10 FFCDRN CC(C)S(=O)(=O)CC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000124478236 728671128 /nfs/dbraw/zinc/67/11/28/728671128.db2.gz HZWSUDZKVQNFFG-UHFFFAOYSA-N 0 0 366.527 2.895 20 10 FFCDRN CSc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000126111411 728693285 /nfs/dbraw/zinc/69/32/85/728693285.db2.gz YRNHEQFFCVBYLS-UHFFFAOYSA-N 0 0 361.442 2.869 20 10 FFCDRN COCCC1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000133709906 728727636 /nfs/dbraw/zinc/72/76/36/728727636.db2.gz QUZRQARXIMKPPH-UHFFFAOYSA-N 0 0 363.527 2.856 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000134612913 728731450 /nfs/dbraw/zinc/73/14/50/728731450.db2.gz SVLPCHJKXFTXBV-SECBINFHSA-N 0 0 366.776 2.576 20 10 FFCDRN CCC[C@H](C)CS(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000151259719 728744713 /nfs/dbraw/zinc/74/47/13/728744713.db2.gz SABQJYPJSMGSOJ-INIZCTEOSA-N 0 0 368.543 2.751 20 10 FFCDRN Cc1cc(C)n(CCCNC(=O)NCCCSc2nccs2)n1 ZINC000151642651 728746296 /nfs/dbraw/zinc/74/62/96/728746296.db2.gz JWFZHEIWPPFLMI-UHFFFAOYSA-N 0 0 353.517 2.828 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)[C@@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164348581 728965953 /nfs/dbraw/zinc/96/59/53/728965953.db2.gz MHJTXLXUBVDCFF-STQMWFEESA-N 0 0 355.500 2.706 20 10 FFCDRN CCO[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173023838 729038485 /nfs/dbraw/zinc/03/84/85/729038485.db2.gz FCXUDYUWOAHMKG-DAXOMENPSA-N 0 0 354.397 2.798 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCCc1csc(N2CCCC2)n1 ZINC000175401097 729095376 /nfs/dbraw/zinc/09/53/76/729095376.db2.gz FIJUBTLYIICGQB-UHFFFAOYSA-N 0 0 360.483 2.833 20 10 FFCDRN CCNc1nc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cs1 ZINC000177141485 729129164 /nfs/dbraw/zinc/12/91/64/729129164.db2.gz LDSXAPUGGYTEPD-UHFFFAOYSA-N 0 0 360.483 2.982 20 10 FFCDRN CNC(=O)Cc1nc(CN2CCCc3cc(OC(F)F)ccc32)cs1 ZINC000177578895 729139745 /nfs/dbraw/zinc/13/97/45/729139745.db2.gz MBSDYSKYZSXUAJ-UHFFFAOYSA-N 0 0 367.421 2.986 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccnc(OCC(F)(F)F)c2)c(O)c1O ZINC000177672072 729142577 /nfs/dbraw/zinc/14/25/77/729142577.db2.gz AVZLMZLWTXWAID-UHFFFAOYSA-N 0 0 356.300 2.672 20 10 FFCDRN Cc1ccc(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)c(O)c1O ZINC000177682911 729143364 /nfs/dbraw/zinc/14/33/64/729143364.db2.gz BHIKBZXESRXJIX-ZDUSSCGKSA-N 0 0 355.312 2.888 20 10 FFCDRN Cc1ccc(F)c(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000177762210 729145853 /nfs/dbraw/zinc/14/58/53/729145853.db2.gz BXRIGVILWKHLRT-UHFFFAOYSA-N 0 0 353.444 2.828 20 10 FFCDRN Cc1ccc2c(c1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1O)CCC2 ZINC000179560217 729188708 /nfs/dbraw/zinc/18/87/08/729188708.db2.gz CYDGYTNKHKCELF-UHFFFAOYSA-N 0 0 360.435 2.665 20 10 FFCDRN CCOC(=O)N1CCC[N@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000179748022 729193425 /nfs/dbraw/zinc/19/34/25/729193425.db2.gz DVGOLFPNOHXIKU-UHFFFAOYSA-N 0 0 357.248 2.819 20 10 FFCDRN O=C(C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1)N1CCCC1 ZINC000179819468 729196077 /nfs/dbraw/zinc/19/60/77/729196077.db2.gz GAUVWHDMFINLQE-UHFFFAOYSA-N 0 0 367.833 2.788 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000180323992 729211155 /nfs/dbraw/zinc/21/11/55/729211155.db2.gz YZCFTQPCIQMUKI-UHFFFAOYSA-N 0 0 367.295 2.908 20 10 FFCDRN O=C1N(Cc2ccc(N3CCSCC3)cc2)C(=O)[C@]23C[C@H]2CCCN13 ZINC000924488596 738418953 /nfs/dbraw/zinc/41/89/53/738418953.db2.gz RKLFKMXYEDTPTK-BEFAXECRSA-N 0 0 357.479 2.557 20 10 FFCDRN Cc1ncsc1/C=C/C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000186179197 729361836 /nfs/dbraw/zinc/36/18/36/729361836.db2.gz GNMUCJDWLWUYJT-SNAWJCMRSA-N 0 0 361.442 2.757 20 10 FFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS1 ZINC000192237023 729422904 /nfs/dbraw/zinc/42/29/04/729422904.db2.gz XEBBPKUYDZZNHC-CQSZACIVSA-N 0 0 367.490 2.699 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3ncsc3c2)cc1 ZINC000192791189 729459224 /nfs/dbraw/zinc/45/92/24/729459224.db2.gz PZWWLSOESYRELQ-UHFFFAOYSA-N 0 0 354.435 2.617 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 ZINC000193743915 729488716 /nfs/dbraw/zinc/48/87/16/729488716.db2.gz GIDVRYYRVWHHST-VQIMIIECSA-N 0 0 361.511 2.603 20 10 FFCDRN O=S(=O)(NCc1ccccc1O)c1ccc(Br)c(F)c1 ZINC000228542025 729549519 /nfs/dbraw/zinc/54/95/19/729549519.db2.gz PDNWMEZPANGKBK-UHFFFAOYSA-N 0 0 360.204 2.772 20 10 FFCDRN C[C@@H]1CN(Cc2csc(NC(=O)Cc3ccc(N)cc3)n2)C[C@@H](C)O1 ZINC000237427410 729560554 /nfs/dbraw/zinc/56/05/54/729560554.db2.gz KDRZXBPXSUXHRK-CHWSQXEVSA-N 0 0 360.483 2.516 20 10 FFCDRN Nc1ccc(CCNS(=O)(=O)Cc2ccccc2C(F)(F)F)cc1 ZINC000262300423 729663169 /nfs/dbraw/zinc/66/31/69/729663169.db2.gz NWGLWVXOIKFZHH-UHFFFAOYSA-N 0 0 358.385 2.950 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3nc(Cl)ccc3F)CC2)cc1F ZINC000759326328 736562433 /nfs/dbraw/zinc/56/24/33/736562433.db2.gz SNZPYFAERSFLIB-UHFFFAOYSA-N 0 0 367.783 2.984 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000779498001 738468146 /nfs/dbraw/zinc/46/81/46/738468146.db2.gz FTUUYWOCOIXMPG-WMZJFQQLSA-N 0 0 362.407 2.511 20 10 FFCDRN CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000856593738 730346765 /nfs/dbraw/zinc/34/67/65/730346765.db2.gz CIXRVDBEKBMTDK-KRWDZBQOSA-N 0 0 351.834 2.561 20 10 FFCDRN CCn1ncc(Cl)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000857046939 730375449 /nfs/dbraw/zinc/37/54/49/730375449.db2.gz IVVIHGSCSDEMQC-CYBMUJFWSA-N 0 0 362.861 2.884 20 10 FFCDRN Cc1csc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 ZINC000858365802 730423968 /nfs/dbraw/zinc/42/39/68/730423968.db2.gz SIZSQRNCZYUYNM-AWEZNQCLSA-N 0 0 365.524 2.537 20 10 FFCDRN CC(C)Oc1cncc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000858881585 730435785 /nfs/dbraw/zinc/43/57/85/730435785.db2.gz CZPASQZIXYTGBG-UHFFFAOYSA-N 0 0 363.483 2.756 20 10 FFCDRN CCO[C@H](CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000858913782 730436486 /nfs/dbraw/zinc/43/64/86/730436486.db2.gz LWXRLMYFBDWVRQ-LJQANCHMSA-N 0 0 366.527 2.862 20 10 FFCDRN Cc1cc(CNS(=O)(=O)CC[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000859363006 730452013 /nfs/dbraw/zinc/45/20/13/730452013.db2.gz PMLILAGPLZEWRF-KRWDZBQOSA-N 0 0 362.495 2.940 20 10 FFCDRN COc1cccc(CNC(=O)C2CC(O)(c3cccc(Cl)c3)C2)c1O ZINC000860241391 730493159 /nfs/dbraw/zinc/49/31/59/730493159.db2.gz QFFQEAZHBHUFAN-UHFFFAOYSA-N 0 0 361.825 2.968 20 10 FFCDRN CCN(CC)C(=O)N1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862219225 730677493 /nfs/dbraw/zinc/67/74/93/730677493.db2.gz DJISUOMIEHCSOL-UHFFFAOYSA-N 0 0 370.291 2.734 20 10 FFCDRN COC(=O)[C@@H](NCc1cc(F)c(N(C)C)cc1F)c1cccc(O)c1 ZINC000862340356 730690129 /nfs/dbraw/zinc/69/01/29/730690129.db2.gz HECZRLOKUXRPQY-KRWDZBQOSA-N 0 0 350.365 2.740 20 10 FFCDRN CN(Cc1ncnn1CC(F)F)Cc1c(O)cccc1Br ZINC000862352030 730690785 /nfs/dbraw/zinc/69/07/85/730690785.db2.gz WVBFBCANARUVMF-UHFFFAOYSA-N 0 0 361.190 2.643 20 10 FFCDRN O=S1(=O)CC[C@]2(C1)CCCN(Cc1c(O)cccc1Br)C2 ZINC000862387758 730695683 /nfs/dbraw/zinc/69/56/83/730695683.db2.gz PZJUTTPQEALDQV-OAHLLOKOSA-N 0 0 374.300 2.555 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@H](CCS(C)(=O)=O)c2ccccc2)c1 ZINC000862756498 730723774 /nfs/dbraw/zinc/72/37/74/730723774.db2.gz ZEFMAXTVFAUJES-KRWDZBQOSA-N 0 0 361.463 2.535 20 10 FFCDRN Cc1cc(CNC(=O)C(C)(C)S(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000863161974 730753300 /nfs/dbraw/zinc/75/33/00/730753300.db2.gz NYSVEYQCXPWWPU-UHFFFAOYSA-N 0 0 362.495 2.842 20 10 FFCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1cn(-c2ccc(F)cc2)nn1 ZINC000863181282 730754139 /nfs/dbraw/zinc/75/41/39/730754139.db2.gz YPLDRCUPMFDHMG-GDNBJRDFSA-N 0 0 357.414 2.863 20 10 FFCDRN CCN1C(=O)/C(=C/c2cc(C(=O)OC(C)(C)C)nn2C)SC1=S ZINC000864362961 730841381 /nfs/dbraw/zinc/84/13/81/730841381.db2.gz LHFXFOOTBMGULT-FLIBITNWSA-N 0 0 353.469 2.597 20 10 FFCDRN CCOC(=O)c1csc(COc2ccc(N(C)C)c(C(=O)OC)c2)n1 ZINC000865395617 730949862 /nfs/dbraw/zinc/94/98/62/730949862.db2.gz YYWAILPPKNNLSU-UHFFFAOYSA-N 0 0 364.423 2.751 20 10 FFCDRN O=C(c1nc(C2CC2)ncc1Br)N1Cc2cccc(O)c2C1 ZINC000866100513 731030867 /nfs/dbraw/zinc/03/08/67/731030867.db2.gz ZBDWVMUXBFAODP-UHFFFAOYSA-N 0 0 360.211 2.978 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cnn(C3CCCC3)c2)c1 ZINC000866842658 731107432 /nfs/dbraw/zinc/10/74/32/731107432.db2.gz YXGPQZSSTCANCF-GFCCVEGCSA-N 0 0 365.455 2.752 20 10 FFCDRN O=S(=O)(N=S1(=O)CCCC1)N(Cc1ccccc1O)C1CCCC1 ZINC000866843917 731107753 /nfs/dbraw/zinc/10/77/53/731107753.db2.gz PCAVQFZSPMTIRN-UHFFFAOYSA-N 0 0 372.512 2.643 20 10 FFCDRN O=C(Cc1cnn2c1CCCC2)NCc1cccc(Br)c1O ZINC000867830815 731231559 /nfs/dbraw/zinc/23/15/59/731231559.db2.gz JOGYMLGKFBVSEB-UHFFFAOYSA-N 0 0 364.243 2.546 20 10 FFCDRN CCO[C@H]1COCC[C@H]1CC(=O)NCc1cccc(Br)c1O ZINC000867831316 731231607 /nfs/dbraw/zinc/23/16/07/731231607.db2.gz UTDFYTXNCFWGIM-FZMZJTMJSA-N 0 0 372.259 2.603 20 10 FFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000868839216 731337218 /nfs/dbraw/zinc/33/72/18/731337218.db2.gz ZSBJEZILLDZRKN-UNQGMJICSA-N 0 0 350.409 2.710 20 10 FFCDRN O=C(c1cccs1)N1CCCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871197947 731605357 /nfs/dbraw/zinc/60/53/57/731605357.db2.gz AUUVNCQSQNPNCJ-OAHLLOKOSA-N 0 0 356.447 2.991 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSC[C@H]3C[C@@H](OC)C3)CC2)cc1 ZINC000871711299 731670796 /nfs/dbraw/zinc/67/07/96/731670796.db2.gz GCQMEWUZSQPUES-RHNCMZPLSA-N 0 0 364.511 2.502 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000871909088 731699263 /nfs/dbraw/zinc/69/92/63/731699263.db2.gz VUNCFHLFUSTSHL-DIOULYMOSA-N 0 0 364.829 2.767 20 10 FFCDRN CCOC1CC2(C[C@@H]2NC(=O)NCc2cccc(Br)c2O)C1 ZINC000873275795 731896528 /nfs/dbraw/zinc/89/65/28/731896528.db2.gz JTUDBCONMFMKIG-ULKWEWGCSA-N 0 0 369.259 2.912 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)cc1F ZINC000780519538 738552020 /nfs/dbraw/zinc/55/20/20/738552020.db2.gz ITAJAPHZPOPDMT-OAHLLOKOSA-N 0 0 351.422 2.517 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCCC2(CC2)CC1 ZINC000875221620 732136070 /nfs/dbraw/zinc/13/60/70/732136070.db2.gz ZHUBMCYIMHHIEA-UHFFFAOYSA-N 0 0 353.513 2.534 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)Cc3ccns3)C2)cc1 ZINC000875680904 732180032 /nfs/dbraw/zinc/18/00/32/732180032.db2.gz ZGQLOHAJRXVMNH-CQSZACIVSA-N 0 0 360.483 2.820 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c(C)nn(C)c2C)cc1 ZINC000875930018 732200252 /nfs/dbraw/zinc/20/02/52/732200252.db2.gz HXIBICVFAGQSKC-UHFFFAOYSA-N 0 0 364.515 2.704 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nonc1C ZINC000876439506 732247617 /nfs/dbraw/zinc/24/76/17/732247617.db2.gz NPQAHHJIGKGWPL-UHFFFAOYSA-N 0 0 369.219 2.578 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](CC(C)C)C(=O)Nc2nccs2)c(O)c1O ZINC000781014005 738593670 /nfs/dbraw/zinc/59/36/70/738593670.db2.gz GNXAMLGNVZJVDO-GFCCVEGCSA-N 0 0 363.439 2.646 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC3(CCNC3=O)CC2)c1 ZINC000877782819 732429746 /nfs/dbraw/zinc/42/97/46/732429746.db2.gz PQNWPSNSRXKCJJ-UHFFFAOYSA-N 0 0 353.260 2.565 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cccc(O)c2O)CC1 ZINC000781362911 738621220 /nfs/dbraw/zinc/62/12/20/738621220.db2.gz YEJLFDKHSLXHDZ-LBPRGKRZSA-N 0 0 350.415 2.617 20 10 FFCDRN O=C(c1cc(C(F)F)n[nH]1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000878781031 732592702 /nfs/dbraw/zinc/59/27/02/732592702.db2.gz SJIFEQQGYJJBKG-GFCCVEGCSA-N 0 0 351.353 2.874 20 10 FFCDRN CN(C)[C@H](CCNC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000926821846 738658267 /nfs/dbraw/zinc/65/82/67/738658267.db2.gz MUACQDNFEVVYFB-GFCCVEGCSA-N 0 0 353.772 2.727 20 10 FFCDRN Cc1nc([C@H]2COCCN2Cc2cc(C)cc(Br)c2O)no1 ZINC000781920523 738673095 /nfs/dbraw/zinc/67/30/95/738673095.db2.gz NCNSXZXPSGFDOJ-CYBMUJFWSA-N 0 0 368.231 2.728 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)cc1 ZINC000881773810 733105653 /nfs/dbraw/zinc/10/56/53/733105653.db2.gz FSOHSKBWHKPVMA-RCCFBDPRSA-N 0 0 352.500 2.614 20 10 FFCDRN O=S(=O)(CC[C@@H]1CCCCO1)NCCCSc1nccs1 ZINC000881887447 733127720 /nfs/dbraw/zinc/12/77/20/733127720.db2.gz QZTPKNSTQUEFMH-LBPRGKRZSA-N 0 0 350.531 2.504 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@H]2CCCS2(=O)=O)cc1 ZINC000881889587 733128202 /nfs/dbraw/zinc/12/82/02/733128202.db2.gz DXTUCRHHDWXNLF-GOSISDBHSA-N 0 0 360.479 2.791 20 10 FFCDRN O=C(COC(=O)c1cccnc1SC(F)F)c1ccc(O)c(O)c1 ZINC000782096746 738688511 /nfs/dbraw/zinc/68/85/11/738688511.db2.gz FLCJDHASZGBCDS-UHFFFAOYSA-N 0 0 355.318 2.847 20 10 FFCDRN C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCOCC2)c1cc(Br)c(F)cc1[O-] ZINC000927156496 738698098 /nfs/dbraw/zinc/69/80/98/738698098.db2.gz POQMWIMRJDMJEZ-AMFBXLIHSA-N 0 0 374.250 2.874 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000882905611 733309541 /nfs/dbraw/zinc/30/95/41/733309541.db2.gz MHHLEEQSBVFHCN-NSHDSACASA-N 0 0 370.421 2.772 20 10 FFCDRN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883079093 733329077 /nfs/dbraw/zinc/32/90/77/733329077.db2.gz JYLSLSMVMUBLTB-CMPLNLGQSA-N 0 0 361.667 2.812 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCc1cn2c(n1)SCC2 ZINC000883089862 733330895 /nfs/dbraw/zinc/33/08/95/733330895.db2.gz VQNMOCTYLKDSND-UHFFFAOYSA-N 0 0 372.263 2.928 20 10 FFCDRN CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])s1 ZINC000883119778 733337786 /nfs/dbraw/zinc/33/77/86/733337786.db2.gz KHJCOFMZJSLQHW-IUCAKERBSA-N 0 0 370.425 2.837 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H](CO)c1cccnc1 ZINC000883121068 733338112 /nfs/dbraw/zinc/33/81/12/733338112.db2.gz WTQSFESDJARWTO-LBPRGKRZSA-N 0 0 355.207 2.555 20 10 FFCDRN CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000883142673 733341853 /nfs/dbraw/zinc/34/18/53/733341853.db2.gz QXBFGMKEVDMJGJ-AWEZNQCLSA-N 0 0 350.365 2.783 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000883197929 733349722 /nfs/dbraw/zinc/34/97/22/733349722.db2.gz WBXNUFFDCGFONO-ZDUSSCGKSA-N 0 0 374.250 2.969 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@@H]2CCCC(C)(C)O2)c1 ZINC000885025190 733612767 /nfs/dbraw/zinc/61/27/67/733612767.db2.gz IEDRNOUVWQTOSP-OCCSQVGLSA-N 0 0 357.472 2.729 20 10 FFCDRN COc1cc(C[NH2+]Cc2nnc(CSC)[n-]2)c(O)c(C(C)(C)C)c1 ZINC000886325691 733773532 /nfs/dbraw/zinc/77/35/32/733773532.db2.gz OBCAQXGKPHZHLA-UHFFFAOYSA-N 0 0 350.488 2.969 20 10 FFCDRN COCCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886601395 733808226 /nfs/dbraw/zinc/80/82/26/733808226.db2.gz ROMOLHFCMNSZMX-ZDUSSCGKSA-N 0 0 367.442 2.802 20 10 FFCDRN C[C@H]([NH2+]CC1(S(=O)(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000886736702 733823861 /nfs/dbraw/zinc/82/38/61/733823861.db2.gz HYRNBBAKUAYJJO-VIFPVBQESA-N 0 0 367.298 2.774 20 10 FFCDRN C[C@@H](N[C@H](CCO)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000886796744 733838306 /nfs/dbraw/zinc/83/83/06/733838306.db2.gz IVFJSTQYBSPALI-IAQYHMDHSA-N 0 0 350.356 2.626 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1cc(Cl)cc2c1OCC2 ZINC000782887391 738762072 /nfs/dbraw/zinc/76/20/72/738762072.db2.gz NCMLPXGGCPNKRE-LCYFTJDESA-N 0 0 350.827 2.577 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@@H]1C[C@H]1CCCO1 ZINC000887854029 733984649 /nfs/dbraw/zinc/98/46/49/733984649.db2.gz TWEAOFQVSOPFJT-QWHCGFSZSA-N 0 0 363.435 2.723 20 10 FFCDRN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc4cc(O)c(O)cc4s3)[C@@H]2C1 ZINC000888475463 734061217 /nfs/dbraw/zinc/06/12/17/734061217.db2.gz NPLADYFCYUMSAV-HKWIRBFKSA-N 0 0 361.419 2.630 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@H](O)Cc1ccccc1F ZINC000888565564 734072613 /nfs/dbraw/zinc/07/26/13/734072613.db2.gz NOWILXCNGSMXQK-CYBMUJFWSA-N 0 0 369.487 2.667 20 10 FFCDRN CC(=O)Nc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783404868 738804294 /nfs/dbraw/zinc/80/42/94/738804294.db2.gz NPCZKCQIGFOXMU-UHFFFAOYSA-N 0 0 363.753 2.749 20 10 FFCDRN O=C(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])Nc1cccc(F)c1 ZINC000725850193 734396294 /nfs/dbraw/zinc/39/62/94/734396294.db2.gz PZQLMAFEBIRELZ-UHFFFAOYSA-N 0 0 353.737 2.821 20 10 FFCDRN CO[C@@H](C)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000726986087 734458284 /nfs/dbraw/zinc/45/82/84/734458284.db2.gz KTUSKAXZZYPBDC-NSHDSACASA-N 0 0 364.423 2.723 20 10 FFCDRN CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2C(=O)OC)sc2c1CCCC2 ZINC000727292496 734478140 /nfs/dbraw/zinc/47/81/40/734478140.db2.gz YTVKTXAPFTWFOM-WDEREUQCSA-N 0 0 351.424 2.551 20 10 FFCDRN COc1ccc(N2CCN(Cc3nc(Br)c[nH]3)CC2)cc1F ZINC000892221852 734529633 /nfs/dbraw/zinc/52/96/33/734529633.db2.gz HSNUAKXNCQDWBL-UHFFFAOYSA-N 0 0 369.238 2.642 20 10 FFCDRN COc1ccc(O)c([C@H](C)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000728908836 734548186 /nfs/dbraw/zinc/54/81/86/734548186.db2.gz DTXZKOXTOSLIMC-JTQLQIEISA-N 0 0 366.395 2.886 20 10 FFCDRN Cn1cc(/C=C2\SC(N3CCOCC3)=NC2=O)c(C2CCCCC2)n1 ZINC000783700381 738827576 /nfs/dbraw/zinc/82/75/76/738827576.db2.gz BQSAKWVFVIEGNA-PTNGSMBKSA-N 0 0 360.483 2.770 20 10 FFCDRN C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731038487 734663063 /nfs/dbraw/zinc/66/30/63/734663063.db2.gz HTFDWJIJOOKUEW-INIZCTEOSA-N 0 0 365.543 2.988 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)c3cncc(F)c3)cc2)CC1 ZINC000731038521 734663127 /nfs/dbraw/zinc/66/31/27/734663127.db2.gz JCSRTLQPFQMCEX-UHFFFAOYSA-N 0 0 363.458 2.936 20 10 FFCDRN COC(=O)CN(CCn1nc(C)cc1C)Cc1cc(Cl)ccc1O ZINC000731845416 734700386 /nfs/dbraw/zinc/70/03/86/734700386.db2.gz XKRIEABFRLCSGR-UHFFFAOYSA-N 0 0 351.834 2.534 20 10 FFCDRN CNC(=O)c1cncc(/C=C/C(=O)N2CCCSc3ccccc32)c1 ZINC000731961507 734710416 /nfs/dbraw/zinc/71/04/16/734710416.db2.gz TXDZHKZYWGKULP-BQYQJAHWSA-N 0 0 353.447 2.983 20 10 FFCDRN COc1ccc(OC)c([C@H](C)NC(=O)COC(=O)C2=CC(=O)CS2)c1 ZINC000732352685 734736480 /nfs/dbraw/zinc/73/64/80/734736480.db2.gz BXYJICFIJHFEDH-JTQLQIEISA-N 0 0 365.407 2.505 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@H](OCCO)C1 ZINC000894016392 734787023 /nfs/dbraw/zinc/78/70/23/734787023.db2.gz DNWGLHXJFDRANT-LBPRGKRZSA-N 0 0 364.667 2.781 20 10 FFCDRN CC(C)C(=O)N1CCCC[C@H]1C(=O)NCCCSc1nccs1 ZINC000733880443 734855885 /nfs/dbraw/zinc/85/58/85/734855885.db2.gz IHRQAAVYDIWCEI-ZDUSSCGKSA-N 0 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Cc1cc(Cl)cc(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c1O ZINC000775717745 738116954 /nfs/dbraw/zinc/11/69/54/738116954.db2.gz JBPZXZUSTSZYMS-QGZVFWFLSA-N 0 0 366.889 2.957 20 10 FFCDRN CS(=O)(=O)c1ccccc1CC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000922681654 738184324 /nfs/dbraw/zinc/18/43/24/738184324.db2.gz QVKLLXQTXCUYRH-UHFFFAOYSA-N 0 0 357.834 2.921 20 10 FFCDRN CC(C)Oc1ccc(F)cc1S(=O)(=O)NCCc1ccc(N)cc1 ZINC000923635193 738308434 /nfs/dbraw/zinc/30/84/34/738308434.db2.gz CCPNQDSOGXITCM-UHFFFAOYSA-N 0 0 352.431 2.716 20 10 FFCDRN CC1CCN(c2ccc(CN3C(=O)N[C@H](CC(F)F)C3=O)cc2)CC1 ZINC000777641984 738309237 /nfs/dbraw/zinc/30/92/37/738309237.db2.gz SKSWYNUVAUZDAK-OAHLLOKOSA-N 0 0 351.397 2.999 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NOC3CCCCC3)CC2)cc1F ZINC000777722127 738315270 /nfs/dbraw/zinc/31/52/70/738315270.db2.gz OSIYLCGEHVYVFV-UHFFFAOYSA-N 0 0 351.422 2.930 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1cnc2c(c1)COCC2 ZINC000777739754 738316888 /nfs/dbraw/zinc/31/68/88/738316888.db2.gz PYTHTRQIDRSWHI-UHFFFAOYSA-N 0 0 350.469 2.915 20 10 FFCDRN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000778564321 738394231 /nfs/dbraw/zinc/39/42/31/738394231.db2.gz AFPXRUNEXOZZMG-UHFFFAOYSA-N 0 0 353.371 2.817 20 10 FFCDRN CC(C)[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000778620660 738399307 /nfs/dbraw/zinc/39/93/07/738399307.db2.gz QGDXWMXBJIYRRJ-SFHVURJKSA-N 0 0 363.527 2.806 20 10 FFCDRN CCS[C@@H]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000785422596 738962826 /nfs/dbraw/zinc/96/28/26/738962826.db2.gz ORQJCOGJWVATHJ-DLBZAZTESA-N 0 0 363.527 2.501 20 10 FFCDRN COC(=O)c1ccc(CNC(=O)C2=CC(=O)CS2)c(Br)c1 ZINC000786009920 739017925 /nfs/dbraw/zinc/01/79/25/739017925.db2.gz ZHOLYDMWHLTBJY-UHFFFAOYSA-N 0 0 370.224 2.933 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000786330432 739041985 /nfs/dbraw/zinc/04/19/85/739041985.db2.gz LHOLXMVDRDTPAP-UHFFFAOYSA-N 0 0 365.426 2.987 20 10 FFCDRN Cc1cn2c(nc(CN3CCOc4cc(N(C)C)ccc43)cc2=O)s1 ZINC000930126971 739062243 /nfs/dbraw/zinc/06/22/43/739062243.db2.gz LYUBTASXFKBCSB-UHFFFAOYSA-N 0 0 356.451 2.529 20 10 FFCDRN CCc1c(Cl)nc(CS(C)(=O)=O)nc1N(C)Cc1ccccc1O ZINC000786793046 739077707 /nfs/dbraw/zinc/07/77/07/739077707.db2.gz JOKZEHNEBRODHN-UHFFFAOYSA-N 0 0 369.874 2.579 20 10 FFCDRN COCCn1nc(C)c(NC(=O)NCc2cccc(Cl)c2O)c1C ZINC000930673182 739145240 /nfs/dbraw/zinc/14/52/40/739145240.db2.gz RRDSWGHNHQQPRA-UHFFFAOYSA-N 0 0 352.822 2.827 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000787765816 739168366 /nfs/dbraw/zinc/16/83/66/739168366.db2.gz FLUCPTXPGOVYCS-OAHLLOKOSA-N 0 0 366.259 2.823 20 10 FFCDRN Cc1cnc(Cl)c(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000787894834 739185205 /nfs/dbraw/zinc/18/52/05/739185205.db2.gz CVDOROWHEMYBGV-GFCCVEGCSA-N 0 0 360.845 2.925 20 10 FFCDRN O=C(Nc1ccnc(OCC(F)(F)F)n1)N1Cc2cccc(O)c2C1 ZINC000931693920 739312430 /nfs/dbraw/zinc/31/24/30/739312430.db2.gz IQEPTPRAOWTNKE-UHFFFAOYSA-N 0 0 354.288 2.671 20 10 FFCDRN CCOC(=O)[C@@H](NCc1cc(Br)ccc1O)[C@@H]1CCCOC1 ZINC000789582840 739370444 /nfs/dbraw/zinc/37/04/44/739370444.db2.gz ZWGTYJYCTBPWTH-ABAIWWIYSA-N 0 0 372.259 2.603 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)CCC(F)(F)F)CC2)cc1 ZINC000790189081 739424871 /nfs/dbraw/zinc/42/48/71/739424871.db2.gz KLGODTPLUUWLLR-UHFFFAOYSA-N 0 0 366.405 2.536 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)c1 ZINC000790617841 739475595 /nfs/dbraw/zinc/47/55/95/739475595.db2.gz CZHDTMUXACLRDA-GXTWGEPZSA-N 0 0 360.292 2.711 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCS[C@H](C)C1 ZINC000932668208 739489520 /nfs/dbraw/zinc/48/95/20/739489520.db2.gz RRSOHKBNFPHXCQ-HIFRSBDPSA-N 0 0 350.484 2.531 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c(F)c1 ZINC000790852310 739504774 /nfs/dbraw/zinc/50/47/74/739504774.db2.gz UNTAHFJJQJVVDS-UHFFFAOYSA-N 0 0 352.431 2.687 20 10 FFCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000790911589 739512347 /nfs/dbraw/zinc/51/23/47/739512347.db2.gz IACYBAYEYHWMFV-NWDGAFQWSA-N 0 0 350.415 2.568 20 10 FFCDRN O=C1[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)CCCN1Cc1ccccn1 ZINC000790986163 739521747 /nfs/dbraw/zinc/52/17/47/739521747.db2.gz IASPFKZQDJZZKA-OAHLLOKOSA-N 0 0 363.820 2.861 20 10 FFCDRN C[C@@H]1[C@@H](C(F)(F)F)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000791579518 739580720 /nfs/dbraw/zinc/58/07/20/739580720.db2.gz QVJRFOUYMXAXBH-CJNGLKHVSA-N 0 0 357.420 2.984 20 10 FFCDRN COCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167361 739645558 /nfs/dbraw/zinc/64/55/58/739645558.db2.gz PMNPEHQDBBMAJB-NEPJUHHUSA-N 0 0 358.841 2.548 20 10 FFCDRN Cc1ccc([C@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)s1 ZINC000793846303 739819920 /nfs/dbraw/zinc/81/99/20/739819920.db2.gz GXBGZPKHYXEOGZ-LBPRGKRZSA-N 0 0 363.458 2.755 20 10 FFCDRN COc1ccc(CNC(=O)COc2ccccc2Br)c(O)c1 ZINC000794377350 739884852 /nfs/dbraw/zinc/88/48/52/739884852.db2.gz SEEAFSOPBWMIBL-UHFFFAOYSA-N 0 0 366.211 2.859 20 10 FFCDRN COc1ccc(CNC(=O)C(F)(F)c2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000794387101 739885744 /nfs/dbraw/zinc/88/57/44/739885744.db2.gz DZLPAJVXXHTBKZ-UHFFFAOYSA-N 0 0 352.293 2.717 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)c(O)c1 ZINC000794389564 739885772 /nfs/dbraw/zinc/88/57/72/739885772.db2.gz QVGUVRUOCVTKMA-UHFFFAOYSA-N 0 0 356.300 2.667 20 10 FFCDRN O=C1/C(=C/c2ccc3c(c2)NC(=O)CO3)SC(=S)N1c1cccnc1 ZINC000794931031 739943967 /nfs/dbraw/zinc/94/39/67/739943967.db2.gz INOMBQQRKPLWTH-AUWJEWJLSA-N 0 0 369.427 2.818 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2ccc(OCC(F)F)cc2)c(O)c1 ZINC000795357089 740009351 /nfs/dbraw/zinc/00/93/51/740009351.db2.gz APOBQXVQIWCRTK-UHFFFAOYSA-N 0 0 373.377 2.523 20 10 FFCDRN Cc1ccc(C(=O)OCc2ccc(Cl)cc2-n2cncn2)c(O)c1O ZINC000795482361 740028596 /nfs/dbraw/zinc/02/85/96/740028596.db2.gz IKOWADFAJFHYMK-UHFFFAOYSA-N 0 0 359.769 2.997 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000795809973 740066821 /nfs/dbraw/zinc/06/68/21/740066821.db2.gz VLVIWDSRYNBPMR-CYBMUJFWSA-N 0 0 352.481 2.624 20 10 FFCDRN C[C@H](NCc1ncc(CN(C)C)s1)c1ccc(N2CCOCC2)cc1 ZINC000796275893 740123982 /nfs/dbraw/zinc/12/39/82/740123982.db2.gz IHMQRSPGZSESSB-HNNXBMFYSA-N 0 0 360.527 2.892 20 10 FFCDRN CC[C@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(F)cc1[O-] ZINC000796704787 740173643 /nfs/dbraw/zinc/17/36/43/740173643.db2.gz AWGFOFAVTXRWLV-KRWDZBQOSA-N 0 0 366.458 2.692 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2cccc(C(F)F)c2)c(O)c1 ZINC000797389704 740241818 /nfs/dbraw/zinc/24/18/18/740241818.db2.gz UZYPLVYHFCTGLD-UHFFFAOYSA-N 0 0 350.321 2.593 20 10 FFCDRN COc1cc(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)ccc1O ZINC000797819455 740276025 /nfs/dbraw/zinc/27/60/25/740276025.db2.gz JRVNJQSNCDULAJ-UHFFFAOYSA-N 0 0 356.331 2.557 20 10 FFCDRN O=C(NCCCO)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC000798083705 740302729 /nfs/dbraw/zinc/30/27/29/740302729.db2.gz JIOMZIDTLZZEPS-UHFFFAOYSA-N 0 0 352.793 2.909 20 10 FFCDRN O=C(Nc1ccc(NC(=O)c2ccc(Cl)nn2)cc1)C1=S=CC=C1 ZINC000798166465 740308868 /nfs/dbraw/zinc/30/88/68/740308868.db2.gz ARISSKWTAHTAIV-UHFFFAOYSA-N 0 0 358.810 2.598 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1COC2(CCOCC2)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182306 740310188 /nfs/dbraw/zinc/31/01/88/740310188.db2.gz DYTJHFUIQGNNSJ-VXGBXAGGSA-N 0 0 361.360 2.984 20 10 FFCDRN COCC[C@H](CO)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000799084445 740386780 /nfs/dbraw/zinc/38/67/80/740386780.db2.gz CBETTWZBYVZGJE-QGZVFWFLSA-N 0 0 364.873 2.804 20 10 FFCDRN CCn1ncc(NC(=O)NCc2ccc(OC)cc2O)c1C(F)(F)F ZINC000799237119 740401707 /nfs/dbraw/zinc/40/17/07/740401707.db2.gz PFTJIMICOHYQKO-UHFFFAOYSA-N 0 0 358.320 2.958 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cc(Br)cc(Cl)c1[O-] ZINC000800499330 740528789 /nfs/dbraw/zinc/52/87/89/740528789.db2.gz WRUUZVAGFBJHQZ-SFYZADRCSA-N 0 0 367.646 2.933 20 10 FFCDRN COC[C@@](C)(O)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800572166 740534610 /nfs/dbraw/zinc/53/46/10/740534610.db2.gz SYBYSNQWADMLCF-FZKQIMNGSA-N 0 0 354.878 2.590 20 10 FFCDRN CO[C@@H](C)c1nsc(NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000800846831 740555700 /nfs/dbraw/zinc/55/57/00/740555700.db2.gz YHPYKVAXOPKFER-NSHDSACASA-N 0 0 352.435 2.833 20 10 FFCDRN CNc1snc(C)c1C(=O)NCc1cc(Br)ccc1O ZINC000804734741 740900652 /nfs/dbraw/zinc/90/06/52/740900652.db2.gz XSCWKACSRHBQHD-UHFFFAOYSA-N 0 0 356.245 2.891 20 10 FFCDRN Cc1n[nH]c(C)c1CCC(=O)NCc1cc(Br)ccc1O ZINC000804738240 740901426 /nfs/dbraw/zinc/90/14/26/740901426.db2.gz IUJKTEOMUBJSGD-UHFFFAOYSA-N 0 0 352.232 2.744 20 10 FFCDRN Cn1cc(C(=O)NCc2cc(Br)ccc2O)c(C(F)F)n1 ZINC000804738152 740901460 /nfs/dbraw/zinc/90/14/60/740901460.db2.gz FATXQLOVGNXIRE-UHFFFAOYSA-N 0 0 360.158 2.756 20 10 FFCDRN CN(C)C(=O)c1ccc(NCc2cc(Br)ccc2O)nc1 ZINC000804827877 740908211 /nfs/dbraw/zinc/90/82/11/740908211.db2.gz RCWAHFYUMXKXFT-UHFFFAOYSA-N 0 0 350.216 2.864 20 10 FFCDRN Cc1cccc(CNC(=O)NCc2cc(Br)ccc2O)n1 ZINC000804959575 740920252 /nfs/dbraw/zinc/92/02/52/740920252.db2.gz JZTNWWBCCVOVDY-UHFFFAOYSA-N 0 0 350.216 2.858 20 10 FFCDRN COCc1ccccc1CS(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000805005590 740924780 /nfs/dbraw/zinc/92/47/80/740924780.db2.gz RIEYLQRONYGMLN-UHFFFAOYSA-N 0 0 362.495 2.827 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)c1O ZINC000805011572 740925719 /nfs/dbraw/zinc/92/57/19/740925719.db2.gz LMUSNKLHOLUIEC-UHFFFAOYSA-N 0 0 363.769 2.811 20 10 FFCDRN Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000805059866 740933200 /nfs/dbraw/zinc/93/32/00/740933200.db2.gz HUDFCDDYRCERMK-SECBINFHSA-N 0 0 367.247 2.757 20 10 FFCDRN CO[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)C1(C)C ZINC000805179142 740947662 /nfs/dbraw/zinc/94/76/62/740947662.db2.gz SGQHULORYBFDAG-STQMWFEESA-N 0 0 357.248 2.767 20 10 FFCDRN O=C(NCc1cccc(F)n1)NCc1cc(Br)ccc1O ZINC000805224014 740950928 /nfs/dbraw/zinc/95/09/28/740950928.db2.gz LSWHLBUTDKRXGM-UHFFFAOYSA-N 0 0 354.179 2.688 20 10 FFCDRN CC[C@H](NC(=O)NCc1cc(Br)ccc1O)[C@H]1CCCO1 ZINC000805232641 740951390 /nfs/dbraw/zinc/95/13/90/740951390.db2.gz ZUQGMLZLWGDCJS-GXTWGEPZSA-N 0 0 357.248 2.912 20 10 FFCDRN CC(=O)NCC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000805824962 741014511 /nfs/dbraw/zinc/01/45/11/741014511.db2.gz IMGWPLTWTIXNAR-CQSZACIVSA-N 0 0 352.862 2.986 20 10 FFCDRN CC[C@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806277617 741049407 /nfs/dbraw/zinc/04/94/07/741049407.db2.gz FWPJJSFRAXGJTF-ZDUSSCGKSA-N 0 0 355.529 2.780 20 10 FFCDRN C[C@H]1CCC[C@@H](N(C)C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806276461 741049476 /nfs/dbraw/zinc/04/94/76/741049476.db2.gz DXQPGYMXYJSAQJ-QWHCGFSZSA-N 0 0 355.529 2.779 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C2CN(CC(F)(F)F)C2)cc1 ZINC000806326358 741053420 /nfs/dbraw/zinc/05/34/20/741053420.db2.gz OPOHESLKLIIVQL-UHFFFAOYSA-N 0 0 357.420 2.985 20 10 FFCDRN O=C(NCc1ccc(O)c(F)c1)NCc1cc(Br)ccc1O ZINC000806840945 741088831 /nfs/dbraw/zinc/08/88/31/741088831.db2.gz OACXBMNVTVNLAL-UHFFFAOYSA-N 0 0 369.190 2.999 20 10 FFCDRN C[C@H](O)CC(C)(C)CNC(=O)NCc1cc(Br)ccc1O ZINC000806858253 741090231 /nfs/dbraw/zinc/09/02/31/741090231.db2.gz HGAMSBVUTFDWFT-JTQLQIEISA-N 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CCCNC(=O)CCCOC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000840432286 747091922 /nfs/dbraw/zinc/09/19/22/747091922.db2.gz IFJKNNOIWFLNAP-UHFFFAOYSA-N 0 0 361.467 2.779 20 10 FFCDRN Cc1cc(O)c(CN(CC(=O)N2CCCC2)C[C@H]2CCCO2)c(Cl)c1 ZINC000840916949 747224875 /nfs/dbraw/zinc/22/48/75/747224875.db2.gz LXHRPHNGWOMPPA-OAHLLOKOSA-N 0 0 366.889 2.957 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCCNC1 ZINC000841042220 747259929 /nfs/dbraw/zinc/25/99/29/747259929.db2.gz GHXGTWHTDCDNBP-SNVBAGLBSA-N 0 0 364.081 2.759 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H](C)S(C)(=O)=O ZINC000841391093 747333704 /nfs/dbraw/zinc/33/37/04/747333704.db2.gz LMPNYZZMFRBYCH-CVEARBPZSA-N 0 0 366.527 2.608 20 10 FFCDRN Cc1cccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c1F ZINC000841495895 747369428 /nfs/dbraw/zinc/36/94/28/747369428.db2.gz KVICVEAGXCKCQX-SDNWHVSQSA-N 0 0 366.483 2.668 20 10 FFCDRN CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(C3CCC3)C2=O)s1 ZINC000841498561 747370851 /nfs/dbraw/zinc/37/08/51/747370851.db2.gz PYLDIKHXLHJZPW-YFHOEESVSA-N 0 0 359.519 2.905 20 10 FFCDRN CC[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1cccc(Cl)c1 ZINC000842158719 747536123 /nfs/dbraw/zinc/53/61/23/747536123.db2.gz ZKXNYPKPVYZYAO-KRWDZBQOSA-N 0 0 359.857 2.848 20 10 FFCDRN Cn1nccc1[C@@H](NCc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000842775498 747684378 /nfs/dbraw/zinc/68/43/78/747684378.db2.gz PSZILSJYTHSWDV-OAHLLOKOSA-N 0 0 351.834 2.952 20 10 FFCDRN CC(C)[C@H]1N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC12CC=CC2 ZINC000844100355 747970018 /nfs/dbraw/zinc/97/00/18/747970018.db2.gz VYOMAYHWOWJYGW-MRXNPFEDSA-N 0 0 364.467 2.581 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2c(Cl)ncnc2N(C)C)cc1 ZINC000844401353 748021625 /nfs/dbraw/zinc/02/16/25/748021625.db2.gz JSIBUZIXFAJLJK-UHFFFAOYSA-N 0 0 363.893 2.773 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C(F)(F)C2CCOCC2)cc1 ZINC000844855762 748117785 /nfs/dbraw/zinc/11/77/85/748117785.db2.gz HFTSARSYBQELJN-UHFFFAOYSA-N 0 0 356.413 2.652 20 10 FFCDRN CCc1nn(C)c(Cl)c1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844855224 748117814 /nfs/dbraw/zinc/11/78/14/748117814.db2.gz RLJQBABEYFUTDA-UHFFFAOYSA-N 0 0 364.877 2.853 20 10 FFCDRN CN(CCNC(=O)NCc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000844959044 748145799 /nfs/dbraw/zinc/14/57/99/748145799.db2.gz UZUIETZFVZHLGJ-UHFFFAOYSA-N 0 0 357.838 2.712 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000845060748 748171623 /nfs/dbraw/zinc/17/16/23/748171623.db2.gz AGGNJUMQPWNXTC-OAHLLOKOSA-N 0 0 365.861 2.778 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000845066208 748172309 /nfs/dbraw/zinc/17/23/09/748172309.db2.gz VHXWWBVPJCFRNS-BBRMVZONSA-N 0 0 356.875 2.900 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCCCc2nccs2)cc1 ZINC000845203158 748204348 /nfs/dbraw/zinc/20/43/48/748204348.db2.gz FROPGCKEBVYYTC-UHFFFAOYSA-N 0 0 362.499 2.862 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(Cn3cnnc3)CC2)c1 ZINC000846055077 748393260 /nfs/dbraw/zinc/39/32/60/748393260.db2.gz GEZUMBMTSSDYNQ-UHFFFAOYSA-N 0 0 365.275 2.967 20 10 FFCDRN CC(C)c1ncsc1NC(=O)C(=O)NCc1cc(Cl)ccc1O ZINC000846121192 748411820 /nfs/dbraw/zinc/41/18/20/748411820.db2.gz JHEQUDJLHBEKMH-UHFFFAOYSA-N 0 0 353.831 2.880 20 10 FFCDRN CCN1C[C@H](C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1=O ZINC000846207538 748430597 /nfs/dbraw/zinc/43/05/97/748430597.db2.gz CSLJUXKDHMNSKN-ZJUUUORDSA-N 0 0 359.239 2.813 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2nnc([C@H]3CCCS3)n2C)cc1 ZINC000846296130 748453463 /nfs/dbraw/zinc/45/34/63/748453463.db2.gz PFMBBUADHIZVJY-MRXNPFEDSA-N 0 0 361.515 2.964 20 10 FFCDRN CC(C)(C)OC(=O)NCC1(C(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000846472825 748487629 /nfs/dbraw/zinc/48/76/29/748487629.db2.gz FXOQCOOHDOZULW-UHFFFAOYSA-N 0 0 354.834 2.967 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl)c1ccc(N(C)C)cc1 ZINC000846732167 748533582 /nfs/dbraw/zinc/53/35/82/748533582.db2.gz GQKBXCWLMFMSIP-IGNZVWTISA-N 0 0 369.868 2.751 20 10 FFCDRN CN(CC(=O)NCC(=O)OC(C)(C)C)c1ccc(-c2nccs2)cc1 ZINC000846992781 748593540 /nfs/dbraw/zinc/59/35/40/748593540.db2.gz MRCYGJHNWBGQDA-UHFFFAOYSA-N 0 0 361.467 2.704 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000848565500 748961963 /nfs/dbraw/zinc/96/19/63/748961963.db2.gz XOALSOIPBFPERB-PSASIEDQSA-N 0 0 369.238 2.630 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=S)Nc3ccc(OC)nc3)C2)cc1 ZINC000849271079 749081977 /nfs/dbraw/zinc/08/19/77/749081977.db2.gz ZNAUFCRDLFFHRB-AWEZNQCLSA-N 0 0 358.467 2.664 20 10 FFCDRN COc1ccc(CNS(=O)(=O)CCc2ccccc2Cl)c(O)c1 ZINC000849391279 749130046 /nfs/dbraw/zinc/13/00/46/749130046.db2.gz NJHUIHGZBWVHTF-UHFFFAOYSA-N 0 0 355.843 2.716 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cc(C)ccc3C)C2)cc1 ZINC000849415875 749142846 /nfs/dbraw/zinc/14/28/46/749142846.db2.gz GRLZBMIGIRKCJN-MRXNPFEDSA-N 0 0 360.479 2.869 20 10 FFCDRN CC(=O)C(=O)COC(=O)Cc1cccc(NC(=O)OC(C)(C)C)c1Cl ZINC000850120349 749305904 /nfs/dbraw/zinc/30/59/04/749305904.db2.gz ZWLHRZMBWYEVCU-UHFFFAOYSA-N 0 0 369.801 2.931 20 10 FFCDRN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000850354044 749350504 /nfs/dbraw/zinc/35/05/04/749350504.db2.gz TWXVGEFZADJXNC-GDLCADMTSA-N 0 0 358.822 2.610 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cnc(C(F)(F)F)nc2)c1 ZINC000850485386 749371455 /nfs/dbraw/zinc/37/14/55/749371455.db2.gz HAVMMQGKWSDLFM-VIFPVBQESA-N 0 0 355.316 2.838 20 10 FFCDRN COc1cccc([C@@H](C)Nc2ccc(OCCS(C)(=O)=O)cc2)c1O ZINC000850488003 749373004 /nfs/dbraw/zinc/37/30/04/749373004.db2.gz KTMASTSKRNEZPE-CYBMUJFWSA-N 0 0 365.451 2.997 20 10 FFCDRN CC[C@@H]([NH2+]Cc1nnc(COC)[n-]1)c1cc(Br)ccc1O ZINC000850512898 749378580 /nfs/dbraw/zinc/37/85/80/749378580.db2.gz BUVNWXPAYJKLQO-LLVKDONJSA-N 0 0 355.236 2.660 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(SCC)CC1 ZINC000850626581 749396904 /nfs/dbraw/zinc/39/69/04/749396904.db2.gz ZREGAVSIABJOHZ-UHFFFAOYSA-N 0 0 350.484 2.533 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cscn1 ZINC000851990087 749744251 /nfs/dbraw/zinc/74/42/51/749744251.db2.gz ODKYYRFLDZCOHM-GFCCVEGCSA-N 0 0 364.446 2.679 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3sc(C)nc3C)C2)cc1 ZINC000852147955 749785355 /nfs/dbraw/zinc/78/53/55/749785355.db2.gz YKNHBQVSGLEYOU-AWEZNQCLSA-N 0 0 360.483 2.847 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)CC(F)(F)Br ZINC000852192985 749799049 /nfs/dbraw/zinc/79/90/49/749799049.db2.gz WLRATOIBMCVDAD-UHFFFAOYSA-N 0 0 352.175 2.745 20 10 FFCDRN CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000852351017 749841869 /nfs/dbraw/zinc/84/18/69/749841869.db2.gz HBSDFODDMCHGGI-XGWLTEMNSA-N 0 0 355.862 2.904 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN[C@@]2(C(=O)OC(C)(C)C)CCOC2)c1O ZINC000852491372 749875493 /nfs/dbraw/zinc/87/54/93/749875493.db2.gz AWKSSFRCSPKZNM-SFHVURJKSA-N 0 0 369.845 2.839 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCc3c(cccc3C(N)=O)C2)c1O ZINC000852754446 749945359 /nfs/dbraw/zinc/94/53/59/749945359.db2.gz AKTCUUPPOZFNLB-UHFFFAOYSA-N 0 0 358.825 2.905 20 10 FFCDRN CC1(C)OCC[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000853089304 750006305 /nfs/dbraw/zinc/00/63/05/750006305.db2.gz NOXJNHOEFQLQBN-GFCCVEGCSA-N 0 0 352.818 2.625 20 10 FFCDRN COc1ccccc1[C@H](O)C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000853092614 750007461 /nfs/dbraw/zinc/00/74/61/750007461.db2.gz DFVRIWJOPYELKA-CQSZACIVSA-N 0 0 352.774 2.786 20 10 FFCDRN Cc1cc(CC(=O)OC[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000853115345 750010913 /nfs/dbraw/zinc/01/09/13/750010913.db2.gz XHTAENRJVSCLHZ-MRXNPFEDSA-N 0 0 361.463 2.615 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](O)C(F)(F)C2)cc1F ZINC000853705741 750139921 /nfs/dbraw/zinc/13/99/21/750139921.db2.gz BRLFAQOZNYBVCW-HNNXBMFYSA-N 0 0 359.392 2.583 20 10 FFCDRN CCc1csc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 ZINC000853790023 750165211 /nfs/dbraw/zinc/16/52/11/750165211.db2.gz ATBVEJPIFZPKBZ-UHFFFAOYSA-N 0 0 351.497 2.552 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC(C)(CC(F)F)C3)C2)cc1 ZINC000854296010 750277336 /nfs/dbraw/zinc/27/73/36/750277336.db2.gz GPEGSIYNQKXKGU-CYBMUJFWSA-N 0 0 353.413 2.961 20 10 FFCDRN CC(C)(CCCNC(=O)C1=CC(=O)CS1)NC(=O)C1=CC(=O)CS1 ZINC000854608613 750339307 /nfs/dbraw/zinc/33/93/07/750339307.db2.gz DFIGFUQJQSKCIE-UHFFFAOYSA-N 0 0 368.480 2.939 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccnn3C(F)F)C2)cc1 ZINC000854981194 750404546 /nfs/dbraw/zinc/40/45/46/750404546.db2.gz LQYFIHZCBOTEPJ-GFCCVEGCSA-N 0 0 350.369 2.543 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000014099537 845025961 /nfs/dbraw/zinc/02/59/61/845025961.db2.gz LYSFPCNVTLFTGU-UHFFFAOYSA-N 0 0 363.439 2.872 20 10 FFCDRN O=[N+]([O-])c1ccc(F)c(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000014256467 845027148 /nfs/dbraw/zinc/02/71/48/845027148.db2.gz KIJSYCIPUHFDBP-UHFFFAOYSA-N 0 0 354.344 2.539 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(F)c(F)c1 ZINC000055523322 845330803 /nfs/dbraw/zinc/33/08/03/845330803.db2.gz HIYXJUDNKOUZCA-UHFFFAOYSA-N 0 0 350.340 2.871 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C)Cc3cccnc3)C2)cc1 ZINC000895651190 970808109 /nfs/dbraw/zinc/80/81/09/970808109.db2.gz VGEMZZJRKMDAIV-WBVHZDCISA-N 0 0 354.454 2.599 20 10 FFCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(-n2cncn2)cc1 ZINC000180601528 970836818 /nfs/dbraw/zinc/83/68/18/970836818.db2.gz UXLTWKYTOQEFRW-FOWFJEMPSA-N 0 0 350.378 2.569 20 10 FFCDRN CC[C@H](C)NC(=O)CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840263312 970872102 /nfs/dbraw/zinc/87/21/02/970872102.db2.gz GPPBWTHINSPQMO-JKSUJKDBSA-N 0 0 362.518 2.596 20 10 FFCDRN O=C(NCC1CC1)[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000895747037 970910237 /nfs/dbraw/zinc/91/02/37/970910237.db2.gz AAIHLYYRBAPDFK-LBPRGKRZSA-N 0 0 374.462 2.691 20 10 FFCDRN COc1ccc(N2CCN(Cc3cccc4[nH]c(=O)oc43)CC2)c(OC)c1 ZINC000895816207 970981660 /nfs/dbraw/zinc/98/16/60/970981660.db2.gz BSQKGAFGWCCJNO-UHFFFAOYSA-N 0 0 369.421 2.873 20 10 FFCDRN COc1ccc(N2CCN(Cc3cnn(C)c3C3CC3)CC2)c(OC)c1 ZINC000895818342 970983577 /nfs/dbraw/zinc/98/35/77/970983577.db2.gz YCCLBXARCUCVIE-UHFFFAOYSA-N 0 0 356.470 2.637 20 10 FFCDRN COc1cc(N(C)Cc2cc(-c3nn[nH]n3)ccc2F)cc(OC)c1OC ZINC000737054518 944940223 /nfs/dbraw/zinc/94/02/23/944940223.db2.gz RQCCPLDAETULHZ-UHFFFAOYSA-N 0 0 373.388 2.668 20 10 FFCDRN COc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1NC(C)=O ZINC000729550686 971135730 /nfs/dbraw/zinc/13/57/30/971135730.db2.gz LAUUDUSPRLYGMG-UHFFFAOYSA-N 0 0 359.382 2.690 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)NCCC2=CCCCC2)cc1 ZINC000183791933 971143013 /nfs/dbraw/zinc/14/30/13/971143013.db2.gz QYCAMXJRDOOXBG-UHFFFAOYSA-N 0 0 360.454 2.681 20 10 FFCDRN CN(CC1(O)CCC1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888587114 1013069287 /nfs/dbraw/zinc/06/92/87/1013069287.db2.gz AXIPYUHOLUKDHQ-UHFFFAOYSA-N 0 0 351.410 2.775 20 10 FFCDRN C[C@H]1C[C@@H](NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)C(=O)O1 ZINC000896335007 971425038 /nfs/dbraw/zinc/42/50/38/971425038.db2.gz UWCWABDMQMQXMU-KBXCAEBGSA-N 0 0 371.437 2.761 20 10 FFCDRN CCCCC1(NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000896518114 971533496 /nfs/dbraw/zinc/53/34/96/971533496.db2.gz MPEFOYJTKZSEIO-UHFFFAOYSA-N 0 0 372.513 2.910 20 10 FFCDRN COc1ccc(C[NH2+][C@@H]2C[C@H](C(=O)[O-])CC[C@H]2C)cc1Cn1cccn1 ZINC000871876895 1013096373 /nfs/dbraw/zinc/09/63/73/1013096373.db2.gz PKVYTLMTQBUWDS-QGPMSJSTSA-N 0 0 357.454 2.919 20 10 FFCDRN Cc1cc(=O)c(C(=O)NCc2ccc(N(C)C)cc2)nn1-c1ccccc1 ZINC000007243739 1013110899 /nfs/dbraw/zinc/11/08/99/1013110899.db2.gz GGFNGPBMQAQTDA-UHFFFAOYSA-N 0 0 362.433 2.537 20 10 FFCDRN CN(Cc1cccc(NC(=O)c2cccc(O)c2O)c1)C(=O)C(F)(F)F ZINC000192984408 971754823 /nfs/dbraw/zinc/75/48/23/971754823.db2.gz JCGSOLBKTQUNSS-UHFFFAOYSA-N 0 0 368.311 2.871 20 10 FFCDRN Cc1cc(C(=O)CN2CCOC[C@@]23CCOC3)c(C)n1-c1ccc(F)cc1 ZINC000193732103 971812211 /nfs/dbraw/zinc/81/22/11/971812211.db2.gz KMEPVPPTBMQZMV-NRFANRHFSA-N 0 0 372.440 2.907 20 10 FFCDRN C[NH+]1CCC(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)CC1 ZINC001593775372 954603346 /nfs/dbraw/zinc/60/33/46/954603346.db2.gz MCVDSUKVEGHGSB-UVTDQMKNSA-N 0 0 362.476 2.680 20 10 FFCDRN COc1ccc(C[NH2+]Cc2cccc(C(=O)[O-])c2)cc1Cn1cccn1 ZINC001594095859 958400703 /nfs/dbraw/zinc/40/07/03/958400703.db2.gz GLGULWOBHLLPMZ-UHFFFAOYSA-N 0 0 351.406 2.928 20 10 FFCDRN COCCCOC1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000748071862 959365458 /nfs/dbraw/zinc/36/54/58/959365458.db2.gz YSDQQIOSYLIHOI-UHFFFAOYSA-N 0 0 372.465 2.980 20 10 FFCDRN O=C(CN1CCNC(=O)CC1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255008923 959886452 /nfs/dbraw/zinc/88/64/52/959886452.db2.gz GBNSVMVPOQRDDF-UHFFFAOYSA-N 0 0 351.410 2.862 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2c(c1)N(C)CCO2 ZINC000683378827 960364819 /nfs/dbraw/zinc/36/48/19/960364819.db2.gz QZCGBPYWVYAZPS-UHFFFAOYSA-N 0 0 353.422 2.620 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCN2C(=O)c1cccc(O)c1O ZINC000890817793 960608109 /nfs/dbraw/zinc/60/81/09/960608109.db2.gz JCBQEPQYDOYTMS-BUXKBTBVSA-N 0 0 362.426 2.617 20 10 FFCDRN CC(=O)N[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000748120380 961351487 /nfs/dbraw/zinc/35/14/87/961351487.db2.gz CJMHHHUXSXKVSK-HNNXBMFYSA-N 0 0 370.449 2.961 20 10 FFCDRN COC(=O)c1nn(CN(C)Cc2ccc(N(C)C)cc2)c2ccccc21 ZINC000177621493 961519625 /nfs/dbraw/zinc/51/96/25/961519625.db2.gz UBDJJWKKCWKVCT-UHFFFAOYSA-N 0 0 352.438 2.978 20 10 FFCDRN C[C@@H](NC(=O)NCCNC(=O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773396085 1013277925 /nfs/dbraw/zinc/27/79/25/1013277925.db2.gz GAYQBLOFUYPHRF-CQSZACIVSA-N 0 0 372.444 2.682 20 10 FFCDRN CC[C@H](C)N(CC)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000891084235 961903147 /nfs/dbraw/zinc/90/31/47/961903147.db2.gz KSXGYZZLGWLAIF-HNNXBMFYSA-N 0 0 360.502 2.718 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)/C=C\c3cncc(O)c3)CC2)cc1 ZINC000255164426 962183763 /nfs/dbraw/zinc/18/37/63/962183763.db2.gz MNQOKMZEOBLMFU-BAQGIRSFSA-N 0 0 353.422 2.548 20 10 FFCDRN COc1ccc(CN[C@H](C)c2nnc3ccccn32)cc1Cn1cccn1 ZINC000873008695 1013343818 /nfs/dbraw/zinc/34/38/18/1013343818.db2.gz AOJHSUHOPXHPMR-OAHLLOKOSA-N 0 0 362.437 2.834 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NC[C@H]3CC(C)(C)CO3)C2)cc1 ZINC000873048200 1013363505 /nfs/dbraw/zinc/36/35/05/1013363505.db2.gz 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369.421 2.734 20 10 FFCDRN C[C@H](NC(=O)/C=C\c1cncc(O)c1)c1ccc(N2CCOCC2)cc1 ZINC000779658906 1024380517 /nfs/dbraw/zinc/38/05/17/1024380517.db2.gz CGRHAGYNGZSQQI-HPTQEQEDSA-N 0 0 353.422 2.514 20 10 FFCDRN O=C(N[C@@H]1CCn2ccnc2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000779664357 1024386921 /nfs/dbraw/zinc/38/69/21/1024386921.db2.gz RWQLQDISSKOPQA-MRXNPFEDSA-N 0 0 366.421 2.909 20 10 FFCDRN CCCNC(=O)C1CCN(C(=O)NCc2ccc(N(CC)CC)cc2)CC1 ZINC000080069752 1024471151 /nfs/dbraw/zinc/47/11/51/1024471151.db2.gz GKLVDSKQCAGOHI-UHFFFAOYSA-N 0 0 374.529 2.981 20 10 FFCDRN O=C(CNC(=O)NCc1ccc(N2CCCC2)cc1)Nc1ccccc1 ZINC000080082936 1024474231 /nfs/dbraw/zinc/47/42/31/1024474231.db2.gz WULMRCKQTQZJKX-UHFFFAOYSA-N 0 0 352.438 2.725 20 10 FFCDRN COc1cc(N2CCN(C(=O)[C@H]3CC34CCCC4)CC2)cc(OC)c1OC ZINC000759222826 1024524044 /nfs/dbraw/zinc/52/40/44/1024524044.db2.gz LONAQHBZWYXKMT-MRXNPFEDSA-N 0 0 374.481 2.941 20 10 FFCDRN Cc1cccc2c1N(C(=O)C(=O)NCc1ccc(N3CCCC3)cc1)CC2 ZINC000193625347 1024612641 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CC(C)(C)NC(=O)[C@H]1CCN(Cc2cc(F)ccc2O)Cc2ccnn21 ZINC001280293182 1044561787 /nfs/dbraw/zinc/56/17/87/1044561787.db2.gz RAYFFIXAOOJTRW-MRXNPFEDSA-N 0 0 360.433 2.590 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2C(=O)Nc3ccc(F)cc32)cc1 ZINC001539188535 1070584111 /nfs/dbraw/zinc/58/41/11/1070584111.db2.gz TWNNPQUDUSYMAT-QGZVFWFLSA-N 0 0 355.413 2.976 20 10 FFCDRN CO[C@H](C)Cn1c(-c2cccn2C)nnc1N(C)Cc1ccccc1O ZINC001315159992 1044604897 /nfs/dbraw/zinc/60/48/97/1044604897.db2.gz FHFQKGDGIZTDNX-CQSZACIVSA-N 0 0 355.442 2.661 20 10 FFCDRN C[S@](=O)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC001318906280 1044932604 /nfs/dbraw/zinc/93/26/04/1044932604.db2.gz IXJNFOHWWUOHCA-SANMLTNESA-N 0 0 373.478 2.582 20 10 FFCDRN CCOCc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC001318918316 1044940121 /nfs/dbraw/zinc/94/01/21/1044940121.db2.gz ASYLQTSQTPYXLW-ZDUSSCGKSA-N 0 0 372.421 2.753 20 10 FFCDRN COC(=O)COc1ccc(-c2ccc3cc(C(=O)OC)n(C)c3c2)cn1 ZINC001243633307 1044967360 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360.410 2.580 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)c1 ZINC000273379466 511522690 /nfs/dbraw/zinc/52/26/90/511522690.db2.gz HZGKMSZCLSNJPX-RYUDHWBXSA-N 0 0 360.376 2.714 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(OCCC(N)=O)cc2)c1 ZINC000273354525 511523711 /nfs/dbraw/zinc/52/37/11/511523711.db2.gz CKJMQLUEZVMTKR-LBPRGKRZSA-N 0 0 358.394 2.606 20 10 FFCDRN COc1ccc(N2CC[NH+](CCCN[C@H]3C[C@@H](C)n4ccnc43)CC2)cc1 ZINC000295847734 511534386 /nfs/dbraw/zinc/53/43/86/511534386.db2.gz FXZANWSCZGQLEJ-XLIONFOSSA-N 0 0 369.513 2.699 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1cccs1 ZINC000283899032 511538038 /nfs/dbraw/zinc/53/80/38/511538038.db2.gz KRZLBJWQCFTUIW-UHFFFAOYSA-N 0 0 360.479 2.941 20 10 FFCDRN CC[C@H](CSC)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283908665 511541692 /nfs/dbraw/zinc/54/16/92/511541692.db2.gz GQKVUDWLXTUXBH-MRXNPFEDSA-N 0 0 363.527 2.503 20 10 FFCDRN CCc1cc(N2CCC([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])CC2)ncn1 ZINC000273619904 511553204 /nfs/dbraw/zinc/55/32/04/511553204.db2.gz YRXXTEXXSBWWFH-CYBMUJFWSA-N 0 0 371.441 2.972 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cc1ccccc1S(C)(=O)=O ZINC000283960096 511557389 /nfs/dbraw/zinc/55/73/89/511557389.db2.gz NVUVBXOLQQJESU-UHFFFAOYSA-N 0 0 374.506 2.747 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnc(OC)c(Cl)c3)CC2)cc1 ZINC000283962136 511557577 /nfs/dbraw/zinc/55/75/77/511557577.db2.gz RUIPVKGYLYHZOH-UHFFFAOYSA-N 0 0 361.829 2.715 20 10 FFCDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000280687441 511564262 /nfs/dbraw/zinc/56/42/62/511564262.db2.gz OAWDFKCFCHACGH-LBPRGKRZSA-N 0 0 360.385 2.825 20 10 FFCDRN C[C@@H]1COCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000365676229 511596070 /nfs/dbraw/zinc/59/60/70/511596070.db2.gz XMWOAFAHXZTPHF-CYBMUJFWSA-N 0 0 369.412 2.687 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000280783161 511600301 /nfs/dbraw/zinc/60/03/01/511600301.db2.gz KDAQZPUFVWOVEL-MRXNPFEDSA-N 0 0 370.405 2.515 20 10 FFCDRN CC(C)c1nn(C)cc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000280782762 511600332 /nfs/dbraw/zinc/60/03/32/511600332.db2.gz PLLDVCJFWDINIE-UHFFFAOYSA-N 0 0 357.458 2.702 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(F)ccc(O)c1F ZINC000280796834 511605478 /nfs/dbraw/zinc/60/54/78/511605478.db2.gz PNCTYXBRDXNZRU-UHFFFAOYSA-N 0 0 362.376 2.779 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1cccs1 ZINC000284159700 511626362 /nfs/dbraw/zinc/62/63/62/511626362.db2.gz YMJVXFITASHMGD-UHFFFAOYSA-N 0 0 359.495 2.522 20 10 FFCDRN O=C(NCc1ccccc1O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000299460443 511644436 /nfs/dbraw/zinc/64/44/36/511644436.db2.gz BTMWZNAGIZTBCK-MRXNPFEDSA-N 0 0 356.397 2.700 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CCS(=O)(=O)C1CCCC1 ZINC000299697998 511667105 /nfs/dbraw/zinc/66/71/05/511667105.db2.gz YQSQTQJTSPOHLQ-UHFFFAOYSA-N 0 0 353.484 2.878 20 10 FFCDRN C[C@H](C1CC1)N(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000284326663 511684306 /nfs/dbraw/zinc/68/43/06/511684306.db2.gz WVBRQMAGAJAPJB-OAHLLOKOSA-N 0 0 355.482 2.693 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnc(C(C)C)nc1 ZINC000281017177 511690159 /nfs/dbraw/zinc/69/01/59/511690159.db2.gz LTIIZTDGWKSKGN-UHFFFAOYSA-N 0 0 356.426 2.683 20 10 FFCDRN CO[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cnn(C)c1 ZINC000281111764 511723915 /nfs/dbraw/zinc/72/39/15/511723915.db2.gz BJNTYCBCIJFWQM-IBGZPJMESA-N 0 0 356.470 2.660 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OC2COC2)cc1 ZINC000281159358 511743238 /nfs/dbraw/zinc/74/32/38/511743238.db2.gz WSNMUUMDZOJTNJ-GFCCVEGCSA-N 0 0 358.394 2.628 20 10 FFCDRN C[C@@]1(F)CCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000296504971 511770127 /nfs/dbraw/zinc/77/01/27/511770127.db2.gz YYODWBNQOFFMCS-GOSISDBHSA-N 0 0 353.413 2.696 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ncn(-c3ccccc3)n2)cc1 ZINC000296513750 511775415 /nfs/dbraw/zinc/77/54/15/511775415.db2.gz COPAZAKAXZOTDS-UHFFFAOYSA-N 0 0 364.453 2.675 20 10 FFCDRN COCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000281377997 511825417 /nfs/dbraw/zinc/82/54/17/511825417.db2.gz AMAIMMWWTWYJLT-AWZKZOKMSA-N 0 0 370.409 2.554 20 10 FFCDRN Cc1ccc(N2CCOCC2)cc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000281494985 511867789 /nfs/dbraw/zinc/86/77/89/511867789.db2.gz FBCHGGLLMLMSPZ-QPJJXVBHSA-N 0 0 354.406 2.895 20 10 FFCDRN O=Cc1c[nH]c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000293253947 511897479 /nfs/dbraw/zinc/89/74/79/511897479.db2.gz TWMVXTUHLKWTEY-CYBMUJFWSA-N 0 0 363.364 2.827 20 10 FFCDRN O=C(CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1ccccn1 ZINC000274668749 511905315 /nfs/dbraw/zinc/90/53/15/511905315.db2.gz OXKCMSHOWBKJBB-QGZVFWFLSA-N 0 0 368.433 2.958 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2nnc(C(C)(C)C)n2c1 ZINC000274720680 511920907 /nfs/dbraw/zinc/92/09/07/511920907.db2.gz AAOUFHJIKFRIEL-LBPRGKRZSA-N 0 0 368.437 2.799 20 10 FFCDRN COC(=O)C(C)(C)c1csc(NC(=O)N(C)Cc2ccccc2O)n1 ZINC000296873752 511931582 /nfs/dbraw/zinc/93/15/82/511931582.db2.gz UGXMPULPUILHHT-UHFFFAOYSA-N 0 0 363.439 2.963 20 10 FFCDRN COc1ccc2c(c1)C=C(C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)CO2 ZINC000274970237 512002517 /nfs/dbraw/zinc/00/25/17/512002517.db2.gz VPYCJQNSDSALBU-LBPRGKRZSA-N 0 0 355.390 2.630 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(=O)[nH]n3)cc2Cl)C1 ZINC000281930564 512014884 /nfs/dbraw/zinc/01/48/84/512014884.db2.gz BFIBEWNESNWCGD-GFCCVEGCSA-N 0 0 360.845 2.590 20 10 FFCDRN CCOc1ccc(O)c(CN[C@H](C(=O)OC)c2ccc3c(c2)CCO3)c1 ZINC000275095848 512039847 /nfs/dbraw/zinc/03/98/47/512039847.db2.gz ARFKWMAKERBTHD-IBGZPJMESA-N 0 0 357.406 2.730 20 10 FFCDRN CC(C)(C)OC(=O)N1CC=C(CNC(=O)NCc2ccccc2O)CC1 ZINC000275240480 512085336 /nfs/dbraw/zinc/08/53/36/512085336.db2.gz OBEBEBLALRIDSK-UHFFFAOYSA-N 0 0 361.442 2.759 20 10 FFCDRN O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cc(Br)ccc1O ZINC000373705798 512465887 /nfs/dbraw/zinc/46/58/87/512465887.db2.gz BBPDAVYWCYRVEC-ZIAGYGMSSA-N 0 0 354.244 2.725 20 10 FFCDRN O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cc(Br)ccc1O ZINC000373705796 512466164 /nfs/dbraw/zinc/46/61/64/512466164.db2.gz BBPDAVYWCYRVEC-KGLIPLIRSA-N 0 0 354.244 2.725 20 10 FFCDRN C[C@](O)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000376076736 512649827 /nfs/dbraw/zinc/64/98/27/512649827.db2.gz BOWOGKQYQIOOFF-GOSISDBHSA-N 0 0 354.397 2.534 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000370032499 512735066 /nfs/dbraw/zinc/73/50/66/512735066.db2.gz LKNYAGDHBFALDR-ZBEGNZNMSA-N 0 0 372.259 2.543 20 10 FFCDRN COc1cccc(CNC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c1O ZINC000374500266 512861052 /nfs/dbraw/zinc/86/10/52/512861052.db2.gz FFXKEAXMRPOOHD-FUHWJXTLSA-N 0 0 356.422 2.978 20 10 FFCDRN CC(C)(O)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000368427251 512944478 /nfs/dbraw/zinc/94/44/78/512944478.db2.gz RZBJZQGUKRLAQC-UHFFFAOYSA-N 0 0 371.428 2.717 20 10 FFCDRN CC(=O)N[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)c1cccs1 ZINC000437013170 514075072 /nfs/dbraw/zinc/07/50/72/514075072.db2.gz PHNGHMJEKFEDPK-OAHLLOKOSA-N 0 0 373.478 2.807 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCn1cnc2ccccc21 ZINC000437025688 514077013 /nfs/dbraw/zinc/07/70/13/514077013.db2.gz MWJFBSBKYHGWIB-UHFFFAOYSA-N 0 0 350.422 2.918 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCC(=O)N1CCCCC1 ZINC000471587544 514942336 /nfs/dbraw/zinc/94/23/36/514942336.db2.gz UWACZLVJCMALFT-UHFFFAOYSA-N 0 0 356.470 2.689 20 10 FFCDRN CC(=O)NCC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472224909 515175545 /nfs/dbraw/zinc/17/55/45/515175545.db2.gz QNGNMNLEICCLDD-UHFFFAOYSA-N 0 0 356.470 2.544 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000499337019 515291787 /nfs/dbraw/zinc/29/17/87/515291787.db2.gz BALSHUXNMCVMSZ-QGZVFWFLSA-N 0 0 371.481 2.565 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCCN1C(=O)NC(C)C ZINC000473273490 515559385 /nfs/dbraw/zinc/55/93/85/515559385.db2.gz QXIXGIZJVCQBSN-KRWDZBQOSA-N 0 0 356.470 2.685 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](COC)[C@@H]3CCCO3)ccc21 ZINC000469141629 515689433 /nfs/dbraw/zinc/68/94/33/515689433.db2.gz UQCXQFKOGPGVHP-QUCCMNQESA-N 0 0 374.481 2.828 20 10 FFCDRN COCCN(CCOC)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000482518684 515704972 /nfs/dbraw/zinc/70/49/72/515704972.db2.gz JXOAQPNCTHULJL-UHFFFAOYSA-N 0 0 362.470 2.640 20 10 FFCDRN Cn1cc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)c(C(F)F)n1 ZINC000460879359 516273538 /nfs/dbraw/zinc/27/35/38/516273538.db2.gz WYHWVXYAUZPECD-RMKNXTFCSA-N 0 0 373.319 2.920 20 10 FFCDRN COC(=O)C1=S=C(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)C=C1 ZINC000561089965 516374137 /nfs/dbraw/zinc/37/41/37/516374137.db2.gz OWDPFWRLWMLKDB-UHFFFAOYSA-N 0 0 352.415 2.816 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CSCC(=O)N1CCCCC1 ZINC000527474841 517698259 /nfs/dbraw/zinc/69/82/59/517698259.db2.gz QUQLGJGMTMRQOW-UHFFFAOYSA-N 0 0 373.522 2.849 20 10 FFCDRN CC(C)O[C@@]1(C)C[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000528272021 518160739 /nfs/dbraw/zinc/16/07/39/518160739.db2.gz JETJSHQBNZLDAX-DOMZBBRYSA-N 0 0 357.248 2.910 20 10 FFCDRN CCC(CC)N(CCOC)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000576424094 518586907 /nfs/dbraw/zinc/58/69/07/518586907.db2.gz XNGUUEATBYPXEI-UHFFFAOYSA-N 0 0 373.497 2.767 20 10 FFCDRN CC[S@@](=O)c1ccccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000583632730 519351360 /nfs/dbraw/zinc/35/13/60/519351360.db2.gz HXXZVIKUWKYQAL-RUZDIDTESA-N 0 0 358.463 2.919 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H](OC)[C@@H]3CCOC3)ccc21 ZINC000617143578 520350083 /nfs/dbraw/zinc/35/00/83/520350083.db2.gz QZKHFEINKNMZND-XLIONFOSSA-N 0 0 374.481 2.686 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1COC[C@@H]1c1ccccc1 ZINC000611658772 521268905 /nfs/dbraw/zinc/26/89/05/521268905.db2.gz YVJUMFZDKOMUJG-MSOLQXFVSA-N 0 0 352.434 2.908 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3nccc(N)n3)ccc21 ZINC000615726313 521515007 /nfs/dbraw/zinc/51/50/07/521515007.db2.gz RBJFSTGBXDHDLW-ZDUSSCGKSA-N 0 0 367.453 2.598 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](OC)C[C@@]3(C)CO)ccc21 ZINC000634062984 523164533 /nfs/dbraw/zinc/16/45/33/523164533.db2.gz IXPHNVZAOACEGK-UWJYYQICSA-N 0 0 374.481 2.516 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000823229365 599244606 /nfs/dbraw/zinc/24/46/06/599244606.db2.gz NNXSQUPMSYDGGK-UHFFFAOYSA-N 0 0 364.409 2.773 20 10 FFCDRN Cc1c(NC(=O)NCc2ccc(N(C)C)c(F)c2)cccc1-c1nn[nH]n1 ZINC000822105466 607281971 /nfs/dbraw/zinc/28/19/71/607281971.db2.gz UUUBAYAUCHWNPA-UHFFFAOYSA-N 0 0 369.404 2.702 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2C[C@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235016 598610600 /nfs/dbraw/zinc/61/06/00/598610600.db2.gz QCOAUBPAWWUDFS-ABAIWWIYSA-N 0 0 350.426 2.660 20 10 FFCDRN CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1)c1ccc(OC)cc1 ZINC000825398922 607641434 /nfs/dbraw/zinc/64/14/34/607641434.db2.gz BFOVKQVYRZFTFB-UHFFFAOYSA-N 0 0 370.413 2.550 20 10 FFCDRN O=C([O-])N1CCC([NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000831946749 604193512 /nfs/dbraw/zinc/19/35/12/604193512.db2.gz BANWDOREQDKTQT-INIZCTEOSA-N 0 0 367.877 2.742 20 10 FFCDRN O=C([O-])N1CCC[C@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000834105048 605601951 /nfs/dbraw/zinc/60/19/51/605601951.db2.gz XRSCUZFAPATEFY-AWEZNQCLSA-N 0 0 369.412 2.989 20 10 FFCDRN O=C([O-])N1CC[C@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000831947693 605857424 /nfs/dbraw/zinc/85/74/24/605857424.db2.gz JTKSCRTUZWXLBJ-STQMWFEESA-N 0 0 355.385 2.599 20 10 FFCDRN O=C(OCc1ccc(-c2nn[nH]n2)cc1OC(F)F)C1=CC(=O)CS1 ZINC000823422596 606559883 /nfs/dbraw/zinc/55/98/83/606559883.db2.gz XRFKGVAXQUEJEZ-UHFFFAOYSA-N 0 0 368.321 2.592 20 10 FFCDRN CCc1nnc(NCc2ccc(N(C)C)c(F)c2)c(-c2nn[nH]n2)c1CC ZINC000821542829 606925550 /nfs/dbraw/zinc/92/55/50/606925550.db2.gz ZUPCVOLKYVOINQ-UHFFFAOYSA-N 0 0 370.436 2.599 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000154202241 728798410 /nfs/dbraw/zinc/79/84/10/728798410.db2.gz SWDRTTHMKYEBPZ-LPHOPBHVSA-N 0 0 361.511 2.555 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@H](O)c1ccccc1F ZINC000154682311 728810146 /nfs/dbraw/zinc/81/01/46/728810146.db2.gz ODIFVQJSDHIIIQ-ZDUSSCGKSA-N 0 0 355.460 2.797 20 10 FFCDRN O=C(Cc1ccc(F)c(Br)c1)NCCc1ccc(O)c(O)c1 ZINC000156716645 728857410 /nfs/dbraw/zinc/85/74/10/728857410.db2.gz YEWKFGDJSOPKCQ-UHFFFAOYSA-N 0 0 368.202 2.901 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(Br)cc1F ZINC000156655546 728856163 /nfs/dbraw/zinc/85/61/63/728856163.db2.gz MXJYKXALAPUOGK-UHFFFAOYSA-N 0 0 354.175 2.972 20 10 FFCDRN O=C(CCc1nnc(-c2ccsc2)o1)NCCc1ccc(O)c(O)c1 ZINC000156678723 728856602 /nfs/dbraw/zinc/85/66/02/728856602.db2.gz LHOMUWSAFNUMPQ-UHFFFAOYSA-N 0 0 359.407 2.501 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2cccc(Br)c2)c1O ZINC000161099914 728928877 /nfs/dbraw/zinc/92/88/77/728928877.db2.gz KFKYCBAPCQSQAI-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN CC(C)n1cnnc1SCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743719161 735317045 /nfs/dbraw/zinc/31/70/45/735317045.db2.gz RHGKWPINTBFKSS-UHFFFAOYSA-N 0 0 360.483 2.852 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCCOC2CCSCC2)cc1 ZINC000899072544 735443026 /nfs/dbraw/zinc/44/30/26/735443026.db2.gz OVCHMROMWAHOQW-UHFFFAOYSA-N 0 0 351.516 2.806 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CC[S@](=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000746010002 735457962 /nfs/dbraw/zinc/45/79/62/735457962.db2.gz XAOYAAJDZORVDK-FATZIPQQSA-N 0 0 350.871 2.998 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)NCC(F)(F)F)cc1 ZINC000003451435 727775785 /nfs/dbraw/zinc/77/57/85/727775785.db2.gz LQTOEIFPLHOZSA-UHFFFAOYSA-N 0 0 354.328 2.929 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)Cn1ncn(C2CC2)c1=S ZINC000014215477 727817314 /nfs/dbraw/zinc/81/73/14/727817314.db2.gz QSYSRJARVUQARV-UHFFFAOYSA-N 0 0 359.499 2.675 20 10 FFCDRN COC(=O)CSCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C ZINC000022157902 727836889 /nfs/dbraw/zinc/83/68/89/727836889.db2.gz WWKWDPGTKNLYJT-UHFFFAOYSA-N 0 0 361.419 2.912 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CNC(=O)c2ccsc2)cc1F ZINC000066931705 728179197 /nfs/dbraw/zinc/17/91/97/728179197.db2.gz QVCCRDICRPCCAE-UHFFFAOYSA-N 0 0 363.458 2.780 20 10 FFCDRN C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCCCSc1nccs1 ZINC000074136197 728231955 /nfs/dbraw/zinc/23/19/55/728231955.db2.gz PRTWSEMENCGBFK-RISCZKNCSA-N 0 0 350.465 2.970 20 10 FFCDRN CCCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000076140486 728255713 /nfs/dbraw/zinc/25/57/13/728255713.db2.gz NLBKFIZCEMUIOD-INIZCTEOSA-N 0 0 367.490 2.600 20 10 FFCDRN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H](C)c1ccccc1 ZINC000080101892 728321916 /nfs/dbraw/zinc/32/19/16/728321916.db2.gz FXRLWMNXJIGCKN-QWHCGFSZSA-N 0 0 362.451 2.686 20 10 FFCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccccc1S(C)(=O)=O ZINC000089999154 728448433 /nfs/dbraw/zinc/44/84/33/728448433.db2.gz UZXZFLDQCKJAKD-CSKARUKUSA-N 0 0 350.827 2.815 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070409 728464487 /nfs/dbraw/zinc/46/44/87/728464487.db2.gz FOHIIRYPSUOJRZ-GFCCVEGCSA-N 0 0 351.248 2.658 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3c(C)nn(C)c3Cl)CC2)cc1 ZINC000102381931 728490525 /nfs/dbraw/zinc/49/05/25/728490525.db2.gz GHKCEVWRLCVLMQ-UHFFFAOYSA-N 0 0 362.861 2.789 20 10 FFCDRN CN1CCCc2cc(CNC(=O)CCNC(=O)c3ccsc3)ccc21 ZINC000109460391 728527771 /nfs/dbraw/zinc/52/77/71/728527771.db2.gz UWDGJAFJVUQNDH-UHFFFAOYSA-N 0 0 357.479 2.567 20 10 FFCDRN COC(=O)CN(Cc1nnsc1Cl)Cc1cc(Cl)ccc1O ZINC000109779967 728528816 /nfs/dbraw/zinc/52/88/16/728528816.db2.gz AJMAIGHMTRRMSL-UHFFFAOYSA-N 0 0 362.238 2.726 20 10 FFCDRN CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H](C)CS(C)(=O)=O ZINC000112613751 728547057 /nfs/dbraw/zinc/54/70/57/728547057.db2.gz DZKLWKPOZXGSRB-MRXNPFEDSA-N 0 0 362.495 2.989 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2sc(-c3ncccn3)nc2C)c1 ZINC000114542990 728561242 /nfs/dbraw/zinc/56/12/42/728561242.db2.gz PBLRGQRUMPKIIG-UHFFFAOYSA-N 0 0 356.407 2.553 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(C(F)F)c2)c1 ZINC000114612038 728561765 /nfs/dbraw/zinc/56/17/65/728561765.db2.gz UTLRSGDFZDVKCE-UHFFFAOYSA-N 0 0 350.321 2.593 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000115282311 728564912 /nfs/dbraw/zinc/56/49/12/728564912.db2.gz PVMRBCJSJODPDJ-UHFFFAOYSA-N 0 0 360.479 2.536 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(Br)cs1 ZINC000120268109 728608930 /nfs/dbraw/zinc/60/89/30/728608930.db2.gz HJPCKXBACBLVML-ZETCQYMHSA-N 0 0 357.229 2.678 20 10 FFCDRN C[C@H](O)C[C@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122418278 728647387 /nfs/dbraw/zinc/64/73/87/728647387.db2.gz GDJVVTDUMAOCKR-MAUKXSAKSA-N 0 0 363.527 2.685 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccnn1C ZINC000124939522 728676409 /nfs/dbraw/zinc/67/64/09/728676409.db2.gz GWBOLUOHTHASOS-UHFFFAOYSA-N 0 0 353.220 2.942 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)CCS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000126337229 728699340 /nfs/dbraw/zinc/69/93/40/728699340.db2.gz HJWFAVZMKPLLJW-AWEZNQCLSA-N 0 0 362.495 2.956 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)c1ncnc2c1cnn2C ZINC000131222003 728721770 /nfs/dbraw/zinc/72/17/70/728721770.db2.gz LLEHCVLSFAFYGS-UHFFFAOYSA-N 0 0 362.231 2.858 20 10 FFCDRN COc1ccc(N(C)CC(=O)N2CCC[C@@H](C(F)(F)F)C2)c(OC)c1 ZINC000131918538 728723316 /nfs/dbraw/zinc/72/33/16/728723316.db2.gz LWTQVRQJLYKLSI-GFCCVEGCSA-N 0 0 360.376 2.941 20 10 FFCDRN CCN(C)c1ccc([C@@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000131967210 728723344 /nfs/dbraw/zinc/72/33/44/728723344.db2.gz DBJQYLLSEWIBTL-OAHLLOKOSA-N 0 0 361.511 2.902 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)[C@H](C)[C@@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164348804 728965779 /nfs/dbraw/zinc/96/57/79/728965779.db2.gz MHJTXLXUBVDCFF-QWHCGFSZSA-N 0 0 355.500 2.706 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)C(C)(C)C2)c(O)c(C(C)(C)C)c1 ZINC000164484689 728966139 /nfs/dbraw/zinc/96/61/39/728966139.db2.gz BDUIAZLFONDAGP-UHFFFAOYSA-N 0 0 355.500 2.707 20 10 FFCDRN CC(C)(C)C[C@@H](O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000172285529 729023001 /nfs/dbraw/zinc/02/30/01/729023001.db2.gz HMBFKMYQGXZFTE-QGZVFWFLSA-N 0 0 365.543 2.836 20 10 FFCDRN COc1cccc(CS(=O)(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000751317505 735863766 /nfs/dbraw/zinc/86/37/66/735863766.db2.gz GKVYINWFRLVNMV-LBPRGKRZSA-N 0 0 351.424 2.590 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCC[C@@H]1CCO ZINC000180396121 729213172 /nfs/dbraw/zinc/21/31/72/729213172.db2.gz BYLJYVXTULFVKR-GOSISDBHSA-N 0 0 363.527 2.686 20 10 FFCDRN O=C(Nc1sccc1C(=O)NCc1ccc(O)c(O)c1)c1ccco1 ZINC000778917151 738420976 /nfs/dbraw/zinc/42/09/76/738420976.db2.gz ZJKLUJUBBPKBOZ-UHFFFAOYSA-N 0 0 358.375 2.935 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1cnc(-c2ccccc2)nc1 ZINC000187284681 729374317 /nfs/dbraw/zinc/37/43/17/729374317.db2.gz AYWBPLLPOVWEJU-UHFFFAOYSA-N 0 0 355.419 2.670 20 10 FFCDRN C[C@@H]1CN(C(=O)CN2CCCc3cc(OC(F)F)ccc32)C[C@H](C)O1 ZINC000193988757 729496449 /nfs/dbraw/zinc/49/64/49/729496449.db2.gz MEADVXFZLZRICS-BETUJISGSA-N 0 0 354.397 2.676 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)cc1F ZINC000195019248 729527199 /nfs/dbraw/zinc/52/71/99/729527199.db2.gz ONPDHRXZXFJQKK-CYBMUJFWSA-N 0 0 361.383 2.782 20 10 FFCDRN CCN1C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCCO3)SC1=S ZINC000216901259 729545515 /nfs/dbraw/zinc/54/55/15/729545515.db2.gz PIBRQZGSHZCCKX-WUXMJOGZSA-N 0 0 352.393 2.587 20 10 FFCDRN Cc1ccsc1/C=C1/SC(=S)N(CCCN2CCOCC2)C1=O ZINC000255422554 729639588 /nfs/dbraw/zinc/63/95/88/729639588.db2.gz UWRAAKVLIUYSDK-SDNWHVSQSA-N 0 0 368.549 2.980 20 10 FFCDRN CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCCc1ccc(N)cc1 ZINC000262321999 729663736 /nfs/dbraw/zinc/66/37/36/729663736.db2.gz QLEWUCQDVQXNNV-UHFFFAOYSA-N 0 0 371.865 2.570 20 10 FFCDRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779485095 738467605 /nfs/dbraw/zinc/46/76/05/738467605.db2.gz LEOAORRRULSHBB-VQHVLOKHSA-N 0 0 361.419 2.603 20 10 FFCDRN COc1ccc(N2CCCN(c3cnc(Br)cn3)CC2)cc1 ZINC000856724527 730350388 /nfs/dbraw/zinc/35/03/88/730350388.db2.gz LNLZGWFTVDLYBC-UHFFFAOYSA-N 0 0 363.259 2.964 20 10 FFCDRN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000857865511 730413088 /nfs/dbraw/zinc/41/30/88/730413088.db2.gz NATUBKHHYZORHF-ZANVPECISA-N 0 0 364.243 2.860 20 10 FFCDRN CN(C)c1cc(F)c(CNc2ccc3c(c2)S(=O)(=O)CC3)cc1F ZINC000858175903 730418769 /nfs/dbraw/zinc/41/87/69/730418769.db2.gz GRUGEHGSEIUUEV-UHFFFAOYSA-N 0 0 352.406 2.973 20 10 FFCDRN Cc1cc(CNC(=O)NCC2([S@@](C)=O)CC2)c(C)n1-c1ccccc1 ZINC000858425761 730425513 /nfs/dbraw/zinc/42/55/13/730425513.db2.gz KAARHEYIOVDUOZ-RUZDIDTESA-N 0 0 359.495 2.804 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NCC1CC=CC1 ZINC000858530324 730428188 /nfs/dbraw/zinc/42/81/88/730428188.db2.gz ALWGHJMUISBNKG-UHFFFAOYSA-N 0 0 351.397 2.567 20 10 FFCDRN CSC[C@@H](CCO)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000860164096 730483002 /nfs/dbraw/zinc/48/30/02/730483002.db2.gz FZVLQTOZDJXBTJ-MRXNPFEDSA-N 0 0 360.479 2.750 20 10 FFCDRN Cc1cn2c(n1)C[C@@H](C(=O)NCc1cccc(Br)c1O)CC2 ZINC000861332716 730599512 /nfs/dbraw/zinc/59/95/12/730599512.db2.gz RHTCONVCDUJYLM-NSHDSACASA-N 0 0 364.243 2.538 20 10 FFCDRN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1ccc(OC)cc1O ZINC000861490688 730617146 /nfs/dbraw/zinc/61/71/46/730617146.db2.gz YOJYBCZORDUHDU-GFCCVEGCSA-N 0 0 352.431 2.663 20 10 FFCDRN Cc1nc(CC(C)C)c(NC(=O)C(=O)NCc2cc(C)ccc2O)s1 ZINC000862025357 730662318 /nfs/dbraw/zinc/66/23/18/730662318.db2.gz KUJUPMOGAODYIT-UHFFFAOYSA-N 0 0 361.467 2.919 20 10 FFCDRN CN(C)c1cc(F)c(CN(C)[C@@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000862249070 730681741 /nfs/dbraw/zinc/68/17/41/730681741.db2.gz WOERASICADTUGJ-NVXWUHKLSA-N 0 0 360.470 2.818 20 10 FFCDRN Cc1n[nH]c(C)c1[C@@H]1COCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862252537 730682446 /nfs/dbraw/zinc/68/24/46/730682446.db2.gz DYCHXBQOVBKCPV-KRWDZBQOSA-N 0 0 350.413 2.944 20 10 FFCDRN COC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1c(O)cccc1Br ZINC000862338220 730689769 /nfs/dbraw/zinc/68/97/69/730689769.db2.gz MYUCPDFFDVPHND-PGUXBMHVSA-N 0 0 354.244 2.928 20 10 FFCDRN CCOC(=O)[C@H](NCc1c(O)cccc1Br)[C@@H]1CCCOC1 ZINC000862339610 730690186 /nfs/dbraw/zinc/69/01/86/730690186.db2.gz ZNABHPOJYLIYGC-IAQYHMDHSA-N 0 0 372.259 2.603 20 10 FFCDRN C[C@@H]1OCC[C@]12CN(Cc1c(O)cccc1Br)C[C@@H](C)O2 ZINC000862351095 730690568 /nfs/dbraw/zinc/69/05/68/730690568.db2.gz GMDQTFISNLASAX-WQGACYEGSA-N 0 0 356.260 2.923 20 10 FFCDRN Cc1nccnc1N1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862354398 730690954 /nfs/dbraw/zinc/69/09/54/730690954.db2.gz UZSGMLMWDKNDQK-UHFFFAOYSA-N 0 0 363.259 2.575 20 10 FFCDRN COC(=O)c1conc1C(C)(C)NCc1cc(F)c(N(C)C)cc1F ZINC000862399630 730697334 /nfs/dbraw/zinc/69/73/34/730697334.db2.gz YDLRLXDKZMMDNC-UHFFFAOYSA-N 0 0 353.369 2.830 20 10 FFCDRN CN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(N)cc1 ZINC000863558392 730790229 /nfs/dbraw/zinc/79/02/29/730790229.db2.gz GOZNCHBMTRLOJQ-UHFFFAOYSA-N 0 0 358.873 2.707 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC[C@H]1CCSC1 ZINC000865314818 730940770 /nfs/dbraw/zinc/94/07/70/730940770.db2.gz ZPLMDLRCLASSIG-NSHDSACASA-N 0 0 354.859 2.953 20 10 FFCDRN COC(=O)c1cc(OCc2nc(CC(F)(F)F)no2)ccc1N(C)C ZINC000865396320 730949727 /nfs/dbraw/zinc/94/97/27/730949727.db2.gz OIQLUEFHFQCYFT-UHFFFAOYSA-N 0 0 359.304 2.606 20 10 FFCDRN CCO[C@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)[C@@H]1CCOC1 ZINC000865636596 730980401 /nfs/dbraw/zinc/98/04/01/730980401.db2.gz MZKDPIBDULURLT-QAPCUYQASA-N 0 0 352.450 2.730 20 10 FFCDRN C[C@@]1(C(=O)NCCCSc2nccs2)Oc2ccccc2NC1=O ZINC000865783434 730997231 /nfs/dbraw/zinc/99/72/31/730997231.db2.gz PTAXVNRLRUTFRW-INIZCTEOSA-N 0 0 363.464 2.531 20 10 FFCDRN C[C@H]([NH2+]Cc1c(Br)cnn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866431447 731059677 /nfs/dbraw/zinc/05/96/77/731059677.db2.gz SHSHQWLHZYYRAI-QMMMGPOBSA-N 0 0 355.192 2.647 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2c(Br)cnn2C)c1 ZINC000866431490 731059764 /nfs/dbraw/zinc/05/97/64/731059764.db2.gz UKSOGUACQWIPMV-SECBINFHSA-N 0 0 368.231 2.526 20 10 FFCDRN CC(F)(F)CCS(=O)(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000866531271 731071437 /nfs/dbraw/zinc/07/14/37/731071437.db2.gz FGFPPMOAGDLLIU-UHFFFAOYSA-N 0 0 364.483 2.705 20 10 FFCDRN C[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000866572255 731075443 /nfs/dbraw/zinc/07/54/43/731075443.db2.gz MNWJABLLVRBXIP-QMMMGPOBSA-N 0 0 355.287 2.664 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)C3(C(C)C)CC3)C2)cc1 ZINC000867429297 731183291 /nfs/dbraw/zinc/18/32/91/731183291.db2.gz WXJVMVQWUPXPBT-HNNXBMFYSA-N 0 0 352.500 2.630 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)C[C@@H]3CCC(F)(F)C3)C2)cc1 ZINC000867496659 731191996 /nfs/dbraw/zinc/19/19/96/731191996.db2.gz GSHYONNYHBORPD-KGLIPLIRSA-N 0 0 374.453 2.629 20 10 FFCDRN CCOCCOc1ccc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000867691284 731213892 /nfs/dbraw/zinc/21/38/92/731213892.db2.gz UWYNKBOZAZUEIG-UHFFFAOYSA-N 0 0 363.435 2.512 20 10 FFCDRN C[C@H](NC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000868515077 731299805 /nfs/dbraw/zinc/29/98/05/731299805.db2.gz IJEZGRNHMCKHCZ-CORIIIEPSA-N 0 0 359.392 2.626 20 10 FFCDRN C[C@H](NC(=O)[C@@H]1CSCCS1)c1ccc(N2CCOCC2)cc1 ZINC000920880467 737932702 /nfs/dbraw/zinc/93/27/02/737932702.db2.gz ASRNLELOWGRJGY-BBRMVZONSA-N 0 0 352.525 2.549 20 10 FFCDRN CCOCn1nc(C)c(CC(=O)NCc2cc(Cl)ccc2O)c1C ZINC000869147096 731369114 /nfs/dbraw/zinc/36/91/14/731369114.db2.gz OJRSUTKXXMGEDN-UHFFFAOYSA-N 0 0 351.834 2.712 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@]1(OC(C)C)CCOC1 ZINC000925746499 738526520 /nfs/dbraw/zinc/52/65/20/738526520.db2.gz IGMHIVLTALUUHR-LJQANCHMSA-N 0 0 350.459 2.898 20 10 FFCDRN O=C([C@H](O)Cc1cccc(C(F)(F)F)c1)N1Cc2cccc(O)c2C1 ZINC000871205031 731606114 /nfs/dbraw/zinc/60/61/14/731606114.db2.gz TWPUBHKSDFEZOU-MRXNPFEDSA-N 0 0 351.324 2.857 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCO[C@@H](C(F)(F)F)CC2)cc1OC ZINC000872749150 731825894 /nfs/dbraw/zinc/82/58/94/731825894.db2.gz CNNCTRXNUSTTQG-CYBMUJFWSA-N 0 0 350.293 2.770 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873145100 731880831 /nfs/dbraw/zinc/88/08/31/731880831.db2.gz ILHYJBPNYXMKOR-VHRBIJSZSA-N 0 0 369.259 2.912 20 10 FFCDRN Cc1ncc([C@@H](C)NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000875285118 732140788 /nfs/dbraw/zinc/14/07/88/732140788.db2.gz RKYVQEBNORZWQK-NWDGAFQWSA-N 0 0 360.483 2.572 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CC[C@H](O)[C@@H]2CCCC[C@H]21 ZINC000875375270 732149448 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O=C1N[C@@H](c2c(O)cccc2Br)N2CCc3ccccc3[C@@H]12 ZINC000877857021 732445799 /nfs/dbraw/zinc/44/57/99/732445799.db2.gz KJCHIQHYCXBKBB-JKSUJKDBSA-N 0 0 359.223 2.883 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCCN(C(=O)CC(C)C)CC2)c1O ZINC000879759110 732762822 /nfs/dbraw/zinc/76/28/22/732762822.db2.gz BPXYZVALRISCDQ-UHFFFAOYSA-N 0 0 350.434 2.814 20 10 FFCDRN C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000879774195 732765995 /nfs/dbraw/zinc/76/59/95/732765995.db2.gz FKIJHHBIKAMKEC-LKFCYVNXSA-N 0 0 364.243 2.860 20 10 FFCDRN Cc1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)ccc1N1CCCCC1 ZINC000879935787 732805490 /nfs/dbraw/zinc/80/54/90/732805490.db2.gz BYSHFGPDMAZXLZ-MOPGFXCFSA-N 0 0 362.539 2.852 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccn(C2CCSCC2)n1 ZINC000880349013 732894774 /nfs/dbraw/zinc/89/47/74/732894774.db2.gz RXXHIPHRKWAFDD-UHFFFAOYSA-N 0 0 362.455 2.727 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC[C@@H](N(C)C)C(F)(F)F)c1 ZINC000926812464 738656670 /nfs/dbraw/zinc/65/66/70/738656670.db2.gz JOWDRWRZKHTUPQ-QMTHXVAHSA-N 0 0 363.380 2.644 20 10 FFCDRN Cc1cc(Br)c(O)c(CN(C)Cc2nnc3n2CCC3)c1 ZINC000781894287 738668908 /nfs/dbraw/zinc/66/89/08/738668908.db2.gz FUPGSQOIRLPANM-UHFFFAOYSA-N 0 0 351.248 2.633 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(OCCCO)CC2)c1 ZINC000781906997 738670232 /nfs/dbraw/zinc/67/02/32/738670232.db2.gz BHJZVEGGBBYNLJ-UHFFFAOYSA-N 0 0 358.276 2.827 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCC[C@@H]2c2nncn2C)c1 ZINC000781907208 738670781 /nfs/dbraw/zinc/67/07/81/738670781.db2.gz GHFKERFVMLUQJC-CYBMUJFWSA-N 0 0 351.248 2.929 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(OC(F)F)c([N+](=O)[O-])c1 ZINC000782014471 738680555 /nfs/dbraw/zinc/68/05/55/738680555.db2.gz QFHCNDVTRKGDTP-UHFFFAOYSA-N 0 0 354.265 2.537 20 10 FFCDRN C[C@@H]1COCC[C@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000881920877 733136784 /nfs/dbraw/zinc/13/67/84/733136784.db2.gz RSJFRSWXUAQOKM-RDTXWAMCSA-N 0 0 353.484 2.892 20 10 FFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000882879471 733306773 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C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCCF)cc2F)C[C@H](C)O1 ZINC000884084563 733477268 /nfs/dbraw/zinc/47/72/68/733477268.db2.gz VAHPLXHERGMDFZ-OKILXGFUSA-N 0 0 355.429 2.940 20 10 FFCDRN Cc1cc(CC(=O)NCCn2ccnn2)c(C)n1-c1ccc(Cl)cc1 ZINC000782491000 738726742 /nfs/dbraw/zinc/72/67/42/738726742.db2.gz OKQUHVHWRRYQOD-UHFFFAOYSA-N 0 0 357.845 2.698 20 10 FFCDRN CCc1cnc(CNCc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000886325019 733773482 /nfs/dbraw/zinc/77/34/82/733773482.db2.gz QJPNIAXMZRRLHN-UHFFFAOYSA-N 0 0 358.511 2.697 20 10 FFCDRN C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])O2)CO1 ZINC000886333739 733775125 /nfs/dbraw/zinc/77/51/25/733775125.db2.gz MQVZDBFDIWBHHZ-AKWBHNSASA-N 0 0 356.806 2.770 20 10 FFCDRN CC[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1cc(Cl)cc(Cl)c1[O-] ZINC000886704710 733820493 /nfs/dbraw/zinc/82/04/93/733820493.db2.gz MYFICMVUBHKMHQ-NSHDSACASA-N 0 0 368.224 2.671 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCS(=O)(=O)C[C@@H]2C)cc1 ZINC000886833748 733846538 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ZINC000722406336 734384847 /nfs/dbraw/zinc/38/48/47/734384847.db2.gz HXDJKBDBEQKMEW-UHFFFAOYSA-N 0 0 356.289 2.963 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000725820104 734393590 /nfs/dbraw/zinc/39/35/90/734393590.db2.gz IKGNIYFCPCWADC-GOSISDBHSA-N 0 0 354.516 2.864 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)CSCC(F)(F)F)[NH+](C)C)cc1 ZINC000891249363 734404563 /nfs/dbraw/zinc/40/45/63/734404563.db2.gz RPYBSQUBIXOQJJ-CQSZACIVSA-N 0 0 363.449 2.767 20 10 FFCDRN O=C(Cc1coc(-c2cccs2)n1)OCC(=O)c1ccc(O)c(O)c1 ZINC000783517946 738811181 /nfs/dbraw/zinc/81/11/81/738811181.db2.gz YFJRZYLFGLKAOC-UHFFFAOYSA-N 0 0 359.359 2.783 20 10 FFCDRN CN(Cc1ccccc1O)C(=S)NCCc1ccc2c(c1)OCCO2 ZINC000726748483 734443079 /nfs/dbraw/zinc/44/30/79/734443079.db2.gz YFUUPFAKWIYOKY-UHFFFAOYSA-N 0 0 358.463 2.712 20 10 FFCDRN Cc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(Cl)s2)c(O)c1O ZINC000727005349 734459419 /nfs/dbraw/zinc/45/94/19/734459419.db2.gz OPRHUMYHDOLZAB-UHFFFAOYSA-N 0 0 369.826 2.937 20 10 FFCDRN CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000727985312 734510503 /nfs/dbraw/zinc/51/05/03/734510503.db2.gz FAQIIGLZOHYXES-ZZZKQGFOSA-N 0 0 361.511 2.627 20 10 FFCDRN CC(C)CCS(=O)(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000729485136 734579306 /nfs/dbraw/zinc/57/93/06/734579306.db2.gz ZFYKSRNIDLRKCN-GJZGRUSLSA-N 0 0 372.506 2.905 20 10 FFCDRN COc1cc[nH]c(=NNC(=S)Nc2cccc(OC(F)(F)F)c2)n1 ZINC000783722950 738829351 /nfs/dbraw/zinc/82/93/51/738829351.db2.gz OYDZGTXZBAQPCB-UHFFFAOYSA-N 0 0 359.333 2.697 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCOC1CCSCC1 ZINC000893053592 734644466 /nfs/dbraw/zinc/64/44/66/734644466.db2.gz OKTILGQLNUUFHU-UHFFFAOYSA-N 0 0 351.516 2.772 20 10 FFCDRN CN(C(=O)CNC(=O)NCc1cccc(Cl)c1O)C1CCCCC1 ZINC000893418742 734699549 /nfs/dbraw/zinc/69/95/49/734699549.db2.gz WJXLWFUINXKNID-UHFFFAOYSA-N 0 0 353.850 2.636 20 10 FFCDRN COc1ccccc1NC(=O)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000731869039 734701878 /nfs/dbraw/zinc/70/18/78/734701878.db2.gz JCTXXZWLCKSKQH-UHFFFAOYSA-N 0 0 360.435 2.953 20 10 FFCDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)cc1OC ZINC000731909250 734704942 /nfs/dbraw/zinc/70/49/42/734704942.db2.gz DUBSMEIFHLJXDK-SECBINFHSA-N 0 0 351.380 2.655 20 10 FFCDRN CS(=O)(=O)c1ccccc1NNC(=S)Nc1ccc2c(c1)CCC2 ZINC000731951148 734709515 /nfs/dbraw/zinc/70/95/15/734709515.db2.gz GNACCRYQXXGKKA-UHFFFAOYSA-N 0 0 361.492 2.892 20 10 FFCDRN O=C(NCc1ccccc1O)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732459291 734742974 /nfs/dbraw/zinc/74/29/74/734742974.db2.gz ROGUHVZIPNOJDT-AWEZNQCLSA-N 0 0 359.813 2.650 20 10 FFCDRN CC[C@H](C)CS(=O)(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000733312577 734806680 /nfs/dbraw/zinc/80/66/80/734806680.db2.gz CGOGLODODCLQOO-KKUMJFAQSA-N 0 0 372.506 2.905 20 10 FFCDRN CCC[C@@H](C)CS(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000733313726 734806914 /nfs/dbraw/zinc/80/69/14/734806914.db2.gz GRPSKGJEGQETIV-MRXNPFEDSA-N 0 0 354.516 2.721 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000733329122 734809435 /nfs/dbraw/zinc/80/94/35/734809435.db2.gz NGSDFDGESRNRIV-HNNXBMFYSA-N 0 0 369.303 2.888 20 10 FFCDRN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCCCSc1nccs1 ZINC000733974921 734865035 /nfs/dbraw/zinc/86/50/35/734865035.db2.gz PYZLDGMBKOHDLT-NSHDSACASA-N 0 0 373.569 2.689 20 10 FFCDRN COCCOc1ccc(NC(=O)NCCCSc2nccs2)cn1 ZINC000734360211 734891689 /nfs/dbraw/zinc/89/16/89/734891689.db2.gz PLHWHNJOUBUOAN-UHFFFAOYSA-N 0 0 368.484 2.867 20 10 FFCDRN O=C([C@@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1)N1CCCC1 ZINC000894780426 734915546 /nfs/dbraw/zinc/91/55/46/734915546.db2.gz CVQUSOCETSPVNK-LLVKDONJSA-N 0 0 371.250 2.738 20 10 FFCDRN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCCCSc1nccs1 ZINC000735315224 734941157 /nfs/dbraw/zinc/94/11/57/734941157.db2.gz HHLODKGPOGELQF-UHFFFAOYSA-N 0 0 374.557 2.998 20 10 FFCDRN COC(=O)c1cnc([C@H](C)NCc2ccc(OC)c(OC)c2O)s1 ZINC000895009771 734951217 /nfs/dbraw/zinc/95/12/17/734951217.db2.gz FGYVKWGLOYWCIZ-VIFPVBQESA-N 0 0 352.412 2.503 20 10 FFCDRN COCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1C ZINC000740700743 735081760 /nfs/dbraw/zinc/08/17/60/735081760.db2.gz FHYHWKREINYDSR-UHFFFAOYSA-N 0 0 351.424 2.835 20 10 FFCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)N1CCCC[C@@H]1C ZINC000896080597 735099019 /nfs/dbraw/zinc/09/90/19/735099019.db2.gz BXQPBKIDETZEKD-WDEREUQCSA-N 0 0 362.451 2.832 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000896581540 735175790 /nfs/dbraw/zinc/17/57/90/735175790.db2.gz ZWRGFIJOESYZLS-MWLCHTKSSA-N 0 0 352.740 2.955 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000897104205 735194691 /nfs/dbraw/zinc/19/46/91/735194691.db2.gz DBSOCCFVTBDWRY-SDBXPKJASA-N 0 0 361.341 2.840 20 10 FFCDRN CC[C@@H](O)[C@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000900509832 735654810 /nfs/dbraw/zinc/65/48/10/735654810.db2.gz ZJOFGJXBVJJBIZ-BLLLJJGKSA-N 0 0 356.413 2.780 20 10 FFCDRN Cc1cc(CCNS(=O)(=O)CCOC(C)C)c(C)n1-c1ccccc1 ZINC000748647855 735661522 /nfs/dbraw/zinc/66/15/22/735661522.db2.gz SAONTCJIKWESJG-UHFFFAOYSA-N 0 0 364.511 2.981 20 10 FFCDRN COCc1cn(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)nn1 ZINC000900571140 735662616 /nfs/dbraw/zinc/66/26/16/735662616.db2.gz XPXHTPRIQRFLRV-UHFFFAOYSA-N 0 0 359.817 2.763 20 10 FFCDRN CC(C)(C)OC(=O)[C@]1(C(=O)NCCCSc2nccs2)CCCO1 ZINC000900683772 735679883 /nfs/dbraw/zinc/67/98/83/735679883.db2.gz RGKVTOAJSGATQN-MRXNPFEDSA-N 0 0 372.512 2.632 20 10 FFCDRN Cc1cc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)sn1 ZINC000749240456 735707024 /nfs/dbraw/zinc/70/70/24/735707024.db2.gz JOSHWNGDQWNMNW-UHFFFAOYSA-N 0 0 364.446 2.873 20 10 FFCDRN Cc1nc(CC(F)(F)F)sc1CC(=O)NCc1ccc(O)c(O)c1 ZINC000901131410 735747405 /nfs/dbraw/zinc/74/74/05/735747405.db2.gz KRDKLVLDVSHFCJ-UHFFFAOYSA-N 0 0 360.357 2.826 20 10 FFCDRN CCOc1ccc(S(=O)(=O)NCc2ccccc2O)cc1OCC ZINC000751150359 735849475 /nfs/dbraw/zinc/84/94/75/735849475.db2.gz CVOSQFUABDUQQF-UHFFFAOYSA-N 0 0 351.424 2.668 20 10 FFCDRN CCC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc(O)cc3C)cc21 ZINC000901895144 735862798 /nfs/dbraw/zinc/86/27/98/735862798.db2.gz GIOTVSOHCUPYSR-UHFFFAOYSA-N 0 0 360.435 2.801 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1 ZINC000751414793 735871873 /nfs/dbraw/zinc/87/18/73/735871873.db2.gz GJZMJLIPVSMAJQ-UHFFFAOYSA-N 0 0 365.451 2.975 20 10 FFCDRN COc1cccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)n2)c1O ZINC000752130770 735959217 /nfs/dbraw/zinc/95/92/17/735959217.db2.gz VDEQEYKWWWCNSV-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN CCC(CC)(CNC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(=O)OC ZINC000752219758 735968145 /nfs/dbraw/zinc/96/81/45/735968145.db2.gz DJZQJRJLDMWUJM-LBPRGKRZSA-N 0 0 352.431 2.740 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnc(C)s2)cc1F ZINC000752393567 735982482 /nfs/dbraw/zinc/98/24/82/735982482.db2.gz HUGZLYCCLIADMS-UHFFFAOYSA-N 0 0 364.446 2.692 20 10 FFCDRN Cc1ccsc1[C@@H](CO)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000752913627 736022744 /nfs/dbraw/zinc/02/27/44/736022744.db2.gz OACFZYARHLEVSR-MRXNPFEDSA-N 0 0 359.495 2.972 20 10 FFCDRN CO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1(C)C ZINC000753347154 736058110 /nfs/dbraw/zinc/05/81/10/736058110.db2.gz BUQBPSPNPXRUAN-IAGOWNOFSA-N 0 0 363.527 2.853 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H](C)NCc2ncc(Br)cn2)c1 ZINC000903320312 736075072 /nfs/dbraw/zinc/07/50/72/736075072.db2.gz FEEQDJABSDYKQV-SECBINFHSA-N 0 0 366.215 2.582 20 10 FFCDRN COc1nn(C)cc1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000903338901 736077208 /nfs/dbraw/zinc/07/72/08/736077208.db2.gz UOEPVOGATBGZQX-QMMMGPOBSA-N 0 0 358.211 2.887 20 10 FFCDRN C[C@@H]([NH2+]Cc1cnc2n1CCOC2)c1cc(Br)c(F)cc1[O-] ZINC000903422114 736090636 /nfs/dbraw/zinc/09/06/36/736090636.db2.gz ZFBSFDSDQDMDHH-SECBINFHSA-N 0 0 370.222 2.871 20 10 FFCDRN COc1cc(C(=O)NCCCSc2nccs2)cc(OC)c1O ZINC000754424585 736158707 /nfs/dbraw/zinc/15/87/07/736158707.db2.gz BOMHJRLZRMTCJZ-UHFFFAOYSA-N 0 0 354.453 2.778 20 10 FFCDRN CN1C(=O)C[C@@H](NC(=O)C2=CC(=O)CS2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000755295688 736247560 /nfs/dbraw/zinc/24/75/60/736247560.db2.gz 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ZINC000756539471 736339663 /nfs/dbraw/zinc/33/96/63/736339663.db2.gz NRWTTZLWFHUEFN-SNVBAGLBSA-N 0 0 357.332 2.788 20 10 FFCDRN C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756542473 736340574 /nfs/dbraw/zinc/34/05/74/736340574.db2.gz ANOQJIMKGGQVME-MNOVXSKESA-N 0 0 361.255 2.665 20 10 FFCDRN COC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756578931 736344500 /nfs/dbraw/zinc/34/45/00/736344500.db2.gz YORYVNGCTKQBNN-AMIZOPFISA-N 0 0 352.656 2.856 20 10 FFCDRN C[C@@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756657642 736350234 /nfs/dbraw/zinc/35/02/34/736350234.db2.gz DYIMGHDHYSGUBH-IUCAKERBSA-N 0 0 368.268 2.768 20 10 FFCDRN CC(C)N1C[C@H]([NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CC1=O ZINC000756739805 736357047 /nfs/dbraw/zinc/35/70/47/736357047.db2.gz ZEEOUTPMACHOHN-GXSJLCMTSA-N 0 0 359.239 2.954 20 10 FFCDRN COC[C@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756779541 736361130 /nfs/dbraw/zinc/36/11/30/736361130.db2.gz SDFZTGSFTMAQBC-PSASIEDQSA-N 0 0 352.656 2.856 20 10 FFCDRN COCCC(C)(C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000757163764 736396180 /nfs/dbraw/zinc/39/61/80/736396180.db2.gz HFOAOAKVUQLOIR-UHFFFAOYSA-N 0 0 351.516 2.854 20 10 FFCDRN C[C@@H](CCCC(F)(F)F)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000757647891 736415500 /nfs/dbraw/zinc/41/55/00/736415500.db2.gz RHHYLKPIYPRKOG-VIFPVBQESA-N 0 0 368.377 2.615 20 10 FFCDRN CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1Cl ZINC000758169625 736458326 /nfs/dbraw/zinc/45/83/26/736458326.db2.gz VLDPZPMKGHEFOE-UHFFFAOYSA-N 0 0 358.778 2.944 20 10 FFCDRN O=C(O[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1cccc(O)c1O ZINC000758558031 736501528 /nfs/dbraw/zinc/50/15/28/736501528.db2.gz DJPPBOKADDOFRG-CQSZACIVSA-N 0 0 365.744 2.853 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2cc(Br)ccc2O)cc1 ZINC000796192210 740114696 /nfs/dbraw/zinc/11/46/96/740114696.db2.gz VALAEWNPPMMUEY-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCCSc2nccs2)cn1 ZINC000759549067 736576413 /nfs/dbraw/zinc/57/64/13/736576413.db2.gz BEFNEGLYYKENGO-UHFFFAOYSA-N 0 0 351.501 2.586 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCCC[C@H]1C1OCCO1 ZINC000759600374 736579762 /nfs/dbraw/zinc/57/97/62/736579762.db2.gz DVRGAHARHZESCY-LBPRGKRZSA-N 0 0 357.501 2.562 20 10 FFCDRN CC(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1C ZINC000760887630 736677696 /nfs/dbraw/zinc/67/76/96/736677696.db2.gz GOVKUBBJUMINNV-UHFFFAOYSA-N 0 0 362.407 2.527 20 10 FFCDRN CC(C)(C)c1cc(CS(=O)(=O)NCc2cccc(Cl)c2O)no1 ZINC000908329660 736759214 /nfs/dbraw/zinc/75/92/14/736759214.db2.gz UVZIKHNPULXQHM-UHFFFAOYSA-N 0 0 358.847 2.951 20 10 FFCDRN CCS[C@H]1CC[C@@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000762569288 736838385 /nfs/dbraw/zinc/83/83/85/736838385.db2.gz LXBGQPSEOIEVOE-OLZOCXBDSA-N 0 0 372.512 2.510 20 10 FFCDRN Cc1ncc(CNC(=O)NCc2cccc(Br)c2O)s1 ZINC000764771827 737048060 /nfs/dbraw/zinc/04/80/60/737048060.db2.gz YDJSFRZJMOGNHH-UHFFFAOYSA-N 0 0 356.245 2.919 20 10 FFCDRN CCN(Cc1ccccc1)S(=O)(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000765172261 737091021 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737288990 /nfs/dbraw/zinc/28/89/90/737288990.db2.gz FVFAGUSLDRLSEB-UHFFFAOYSA-N 0 0 367.247 2.819 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(F)cc1Br ZINC000767722682 737360435 /nfs/dbraw/zinc/36/04/35/737360435.db2.gz RXOCEJOFADCVCU-KPKJPENVSA-N 0 0 371.231 2.891 20 10 FFCDRN CCOC(=O)CN(Cc1ccc(N2CCOCC2)c(F)c1)C1CCC1 ZINC000768530907 737429995 /nfs/dbraw/zinc/42/99/95/737429995.db2.gz OZALQZKJMAOFGJ-UHFFFAOYSA-N 0 0 350.434 2.580 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)c3cccc(N)c3)cc2)CC1 ZINC000768836911 737464265 /nfs/dbraw/zinc/46/42/65/737464265.db2.gz LQJGACIRNJVEIW-UHFFFAOYSA-N 0 0 359.495 2.984 20 10 FFCDRN COc1cccc(CNS(=O)(=O)[C@H]2C[C@@H]2c2cccc(F)c2)c1O ZINC000914152409 737516496 /nfs/dbraw/zinc/51/64/96/737516496.db2.gz AUQTWOLMMIZVIO-ZBFHGGJFSA-N 0 0 351.399 2.515 20 10 FFCDRN O=C1CCCCN1[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769339415 737519762 /nfs/dbraw/zinc/51/97/62/737519762.db2.gz XIRNCSJZORCTKO-CQSZACIVSA-N 0 0 367.833 2.931 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)O[C@H]1CCOC1 ZINC000914199376 737526605 /nfs/dbraw/zinc/52/66/05/737526605.db2.gz HMTYYOJTPXFLDD-DOMZBBRYSA-N 0 0 356.369 2.772 20 10 FFCDRN CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(C)c1 ZINC000769704510 737555655 /nfs/dbraw/zinc/55/56/55/737555655.db2.gz ANCPCGDPMCFWND-UHFFFAOYSA-N 0 0 364.423 2.723 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1C[C@H]1C(F)(F)F ZINC000914336298 737558712 /nfs/dbraw/zinc/55/87/12/737558712.db2.gz SXDJDBZNWYARER-DZGCQCFKSA-N 0 0 357.376 2.521 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)N2CCC[C@H](C)C2)cc1 ZINC000914577987 737584595 /nfs/dbraw/zinc/58/45/95/737584595.db2.gz JNLOGIAGAJRQKH-INIZCTEOSA-N 0 0 353.532 2.941 20 10 FFCDRN O=[N+]([O-])c1cc(CN2CCSC[C@@H]2CCO)ccc1N1CCCCC1 ZINC000770304870 737614281 /nfs/dbraw/zinc/61/42/81/737614281.db2.gz BOYCORUUSCCPMW-INIZCTEOSA-N 0 0 365.499 2.885 20 10 FFCDRN CC(C)OCc1cc(NS(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1O ZINC000811703701 741549633 /nfs/dbraw/zinc/54/96/33/741549633.db2.gz 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COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(F)c(OC)c2)c1 ZINC000786852786 739082679 /nfs/dbraw/zinc/08/26/79/739082679.db2.gz WKYNGJXDJYFCOE-SNVBAGLBSA-N 0 0 355.387 2.588 20 10 FFCDRN COCCN(Cc1ccnn1C)Cc1cc(C)cc(Br)c1O ZINC000787330535 739127771 /nfs/dbraw/zinc/12/77/71/739127771.db2.gz AZMPTVGJQIDGQY-UHFFFAOYSA-N 0 0 368.275 2.845 20 10 FFCDRN CN1C[C@@H](C(=O)NCCCSc2nccs2)c2ccccc2C1=O ZINC000787349768 739130159 /nfs/dbraw/zinc/13/01/59/739130159.db2.gz PPVIRRUSIVQKTB-CQSZACIVSA-N 0 0 361.492 2.611 20 10 FFCDRN C[C@H](CO)NC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000787797595 739171255 /nfs/dbraw/zinc/17/12/55/739171255.db2.gz SYORWLNRYHRBPH-SNVBAGLBSA-N 0 0 352.793 2.907 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H](O)c1cc(F)cc(Cl)c1 ZINC000787832624 739175944 /nfs/dbraw/zinc/17/59/44/739175944.db2.gz JUKCCMYUCBWMPQ-OUMXJLHTSA-N 0 0 351.761 2.753 20 10 FFCDRN O=C(NCc1c(O)cccc1F)Nc1nnc(C2CCOCC2)s1 ZINC000931569362 739289820 /nfs/dbraw/zinc/28/98/20/739289820.db2.gz WAQYIMSDQGEHNJ-UHFFFAOYSA-N 0 0 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COc1c[nH+]ccc1N1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000793369671 739774663 /nfs/dbraw/zinc/77/46/63/739774663.db2.gz JWXDZNBOKBTFNF-UHFFFAOYSA-N 0 0 351.809 2.911 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(C(F)(F)F)n1 ZINC000935312345 739930599 /nfs/dbraw/zinc/93/05/99/739930599.db2.gz VTTSFKAGSOQGTF-JTQLQIEISA-N 0 0 354.328 2.802 20 10 FFCDRN CCCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2O)cc1 ZINC000795361628 740010201 /nfs/dbraw/zinc/01/02/01/740010201.db2.gz CVGUQKQDOFAQEE-UHFFFAOYSA-N 0 0 351.424 2.668 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2ccc(OC(C)C)cc2)c(O)c1 ZINC000795361597 740010218 /nfs/dbraw/zinc/01/02/18/740010218.db2.gz CAWSWMSJFJSGEN-UHFFFAOYSA-N 0 0 351.424 2.667 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(C[S@](C)=O)cc2)cc1 ZINC000796657133 740168075 /nfs/dbraw/zinc/16/80/75/740168075.db2.gz CJILOTGHUINBOY-VWLOTQADSA-N 0 0 359.495 2.631 20 10 FFCDRN O=C(COC(F)F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000796748264 740179637 /nfs/dbraw/zinc/17/96/37/740179637.db2.gz 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C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC(=O)NC3)cc2Cl)C1 ZINC000800049089 740478352 /nfs/dbraw/zinc/47/83/52/740478352.db2.gz MFFQFRKZFRRPEF-DZGCQCFKSA-N 0 0 363.889 2.719 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)NC3CC3)cc2Cl)C1 ZINC000800149200 740492453 /nfs/dbraw/zinc/49/24/53/740492453.db2.gz WPFCOVXDQGXXBI-GFCCVEGCSA-N 0 0 357.907 2.663 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)C(=O)NCCF)c(C)n1-c1cccc(Cl)c1 ZINC000800598356 740537881 /nfs/dbraw/zinc/53/78/81/740537881.db2.gz IUWJWADAGKRQNT-GFCCVEGCSA-N 0 0 365.836 2.952 20 10 FFCDRN CC[S@@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000803479304 740803119 /nfs/dbraw/zinc/80/31/19/740803119.db2.gz UJZQBKCPYKAZNK-RUZDIDTESA-N 0 0 361.463 2.897 20 10 FFCDRN C[C@H](CCC(C)(C)C)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000803663752 740817268 /nfs/dbraw/zinc/81/72/68/740817268.db2.gz YZRDTYHBRYFIEI-CYBMUJFWSA-N 0 0 351.466 2.839 20 10 FFCDRN CCCC[C@@H](CCC)NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000803663959 740817284 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CCOC(=O)Nc1scnc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000813488848 741724594 /nfs/dbraw/zinc/72/45/94/741724594.db2.gz HIDMPSPCKFSOEJ-SECBINFHSA-N 0 0 365.411 2.917 20 10 FFCDRN C[C@H]1CN(S(=O)(=O)c2ccc(Cl)c3nonc32)c2ccccc2O1 ZINC000814383470 741816695 /nfs/dbraw/zinc/81/66/95/741816695.db2.gz UHAYFZJVGLSPLD-VIFPVBQESA-N 0 0 365.798 2.852 20 10 FFCDRN O=C(Nc1nncs1)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816610803 742047204 /nfs/dbraw/zinc/04/72/04/742047204.db2.gz ZFNDRKWBWYZRDV-UHFFFAOYSA-N 0 0 370.837 2.887 20 10 FFCDRN Cc1cc(CC(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000816859323 742067465 /nfs/dbraw/zinc/06/74/65/742067465.db2.gz UOKRRFDOXZSSBE-BWTSREIZSA-N 0 0 358.869 2.987 20 10 FFCDRN COC(=O)CN(Cc1nn(C)cc1Cl)Cc1cc(Cl)ccc1O ZINC000817276215 742116018 /nfs/dbraw/zinc/11/60/18/742116018.db2.gz VMAZHWMBBXVDCE-UHFFFAOYSA-N 0 0 358.225 2.608 20 10 FFCDRN COC(=O)Cn1cc(COc2ccc(N3CCCCC3)c(Cl)c2)nn1 ZINC000817381823 742134599 /nfs/dbraw/zinc/13/45/99/742134599.db2.gz 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746459231 /nfs/dbraw/zinc/45/92/31/746459231.db2.gz VSVXQDWFBGRANU-UHFFFAOYSA-N 0 0 364.829 2.887 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)(C)O ZINC000837651917 746492813 /nfs/dbraw/zinc/49/28/13/746492813.db2.gz RIGIBYWMMUZWNW-MRXNPFEDSA-N 0 0 351.516 2.589 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CC[C@H](CCCO)C1 ZINC000837650999 746492836 /nfs/dbraw/zinc/49/28/36/746492836.db2.gz GJUYTRXDGXUQQC-KRWDZBQOSA-N 0 0 363.527 2.544 20 10 FFCDRN O=C(NCCC1CCC1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838511708 746654947 /nfs/dbraw/zinc/65/49/47/746654947.db2.gz QMKPQYKTJVGKGF-UHFFFAOYSA-N 0 0 353.413 2.791 20 10 FFCDRN O=C(NCCCSc1nccs1)N1C[C@]2(CCCO2)[C@H]1C1CC1 ZINC000838516896 746656487 /nfs/dbraw/zinc/65/64/87/746656487.db2.gz SKGMILRLVRHYTI-CZUORRHYSA-N 0 0 353.513 2.978 20 10 FFCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000838652021 746685566 /nfs/dbraw/zinc/68/55/66/746685566.db2.gz IIOVNNAUBGLLDM-QWHCGFSZSA-N 0 0 351.447 2.835 20 10 FFCDRN CC[C@@H](C)CN(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838739833 746703736 /nfs/dbraw/zinc/70/37/36/746703736.db2.gz QGAXYHADUVNZED-CYBMUJFWSA-N 0 0 355.429 2.989 20 10 FFCDRN COc1cc2c(c(OC)c1)N(CCS(=O)(=O)c1ccccc1)CCC2 ZINC000839655687 746883375 /nfs/dbraw/zinc/88/33/75/746883375.db2.gz WBTCNGZAZWAGEN-UHFFFAOYSA-N 0 0 361.463 2.930 20 10 FFCDRN COC(=O)[C@@H]1CSCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000839676455 746889979 /nfs/dbraw/zinc/88/99/79/746889979.db2.gz LBZFNIVRFOLCSA-LBPRGKRZSA-N 0 0 357.859 2.586 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](CC(C)C)C(N)=O ZINC000839693590 746895828 /nfs/dbraw/zinc/89/58/28/746895828.db2.gz FPKYSVZHWDHGAS-CYBMUJFWSA-N 0 0 371.275 2.651 20 10 FFCDRN CSc1cnc(NCc2cc(F)c(N3CCOCC3)c(F)c2)nc1 ZINC000840326727 747066077 /nfs/dbraw/zinc/06/60/77/747066077.db2.gz VGDQGNOQPMICLY-UHFFFAOYSA-N 0 0 352.410 2.925 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CS1 ZINC000840415849 747087552 /nfs/dbraw/zinc/08/75/52/747087552.db2.gz 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747406523 /nfs/dbraw/zinc/40/65/23/747406523.db2.gz NLWOURQZKQVUHC-JKSUJKDBSA-N 0 0 353.532 2.701 20 10 FFCDRN COC1CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000842257227 747558730 /nfs/dbraw/zinc/55/87/30/747558730.db2.gz INZNDTGHTMRWKU-UHFFFAOYSA-N 0 0 352.818 2.767 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000842884373 747713457 /nfs/dbraw/zinc/71/34/57/747713457.db2.gz QHJSNCBZRHHLAW-PWSUYJOCSA-N 0 0 369.389 2.556 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000842884376 747713887 /nfs/dbraw/zinc/71/38/87/747713887.db2.gz QHJSNCBZRHHLAW-ZYHUDNBSSA-N 0 0 369.389 2.556 20 10 FFCDRN Cn1c2ccc(OC(=O)C[C@@H]3CCS(=O)(=O)C3)cc2c2c1CCCC2 ZINC000843019675 747749192 /nfs/dbraw/zinc/74/91/92/747749192.db2.gz XSFKFPFTIKGMKD-ZDUSSCGKSA-N 0 0 361.463 2.787 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](Nc3ncccn3)C2)c1 ZINC000843414729 747831677 /nfs/dbraw/zinc/83/16/77/747831677.db2.gz LSBOIABTMOJWOT-CYBMUJFWSA-N 0 0 363.259 2.940 20 10 FFCDRN CCN(CCO)C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843763744 747890009 /nfs/dbraw/zinc/89/00/09/747890009.db2.gz MWCZXVQDIWNVON-UHFFFAOYSA-N 0 0 366.259 2.706 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)CCO)c(C)n1-c1ccc(Br)cn1 ZINC000843826719 747905087 /nfs/dbraw/zinc/90/50/87/747905087.db2.gz VZZPFYWUPZRLAX-JTQLQIEISA-N 0 0 366.259 2.752 20 10 FFCDRN CC(C)Cn1nccc1C(=O)NCc1cccc(Br)c1O ZINC000843867901 747916109 /nfs/dbraw/zinc/91/61/09/747916109.db2.gz UGTZQHOMNPGCDF-UHFFFAOYSA-N 0 0 352.232 2.937 20 10 FFCDRN COC1(C[C@H]2NC(=O)N(c3cc(Cl)c(N)c(Cl)c3)C2=O)CCC1 ZINC000844293681 747998455 /nfs/dbraw/zinc/99/84/55/747998455.db2.gz ZFQFODQSOMMIQE-LLVKDONJSA-N 0 0 358.225 2.960 20 10 FFCDRN CS(=O)(=O)c1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)co1 ZINC000845311010 748224288 /nfs/dbraw/zinc/22/42/88/748224288.db2.gz DOIOQRASQZSNEP-UHFFFAOYSA-N 0 0 362.451 2.603 20 10 FFCDRN COCC1(CS(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCC1 ZINC000845825757 748332338 /nfs/dbraw/zinc/33/23/38/748332338.db2.gz 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COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCc2ccc(F)cc2)c1 ZINC000849376202 749119644 /nfs/dbraw/zinc/11/96/44/749119644.db2.gz NLLPYFXVUWVISX-GFCCVEGCSA-N 0 0 353.415 2.763 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@H](OC)C2CCCC2)c1 ZINC000849375858 749119770 /nfs/dbraw/zinc/11/97/70/749119770.db2.gz GJSFIBIARJBJCS-SJCJKPOMSA-N 0 0 357.472 2.586 20 10 FFCDRN CCS(=O)(=O)N(C)c1ccc(NCc2cccc(OC)c2O)cc1 ZINC000850391372 749357896 /nfs/dbraw/zinc/35/78/96/749357896.db2.gz NXLXZVDBKPGCHJ-UHFFFAOYSA-N 0 0 350.440 2.799 20 10 FFCDRN COc1ccc(N2CC[C@H](N[C@@H](c3cccs3)c3nc[nH]n3)C2)cc1 ZINC000850487038 749372227 /nfs/dbraw/zinc/37/22/27/749372227.db2.gz LHLNAMRUSKSOCW-GUYCJALGSA-N 0 0 355.467 2.833 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3cccc(N)c3Cl)C2)cc1 ZINC000851640560 749639816 /nfs/dbraw/zinc/63/98/16/749639816.db2.gz YBWYINCKWVQXMV-AWEZNQCLSA-N 0 0 359.857 2.868 20 10 FFCDRN COCCN(Cc1onc(C)c1[N+](=O)[O-])c1ccc(OC)c(OC)c1 ZINC000851846876 749701469 /nfs/dbraw/zinc/70/14/69/749701469.db2.gz 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CCCC(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 ZINC000975770485 973290171 /nfs/dbraw/zinc/29/01/71/973290171.db2.gz CGYLMUCXMVTBKD-BBRMVZONSA-N 0 0 371.441 2.712 20 10 FFCDRN COc1cc(C)cc(CNc2ccc(N3CCOCC3=O)c(C)c2)c1O ZINC000897131623 973372497 /nfs/dbraw/zinc/37/24/97/973372497.db2.gz XLCMLWFAGBPLIS-UHFFFAOYSA-N 0 0 356.422 2.993 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)C2CCC2)cc1 ZINC000976144018 973861787 /nfs/dbraw/zinc/86/17/87/973861787.db2.gz WLEFFHVQWQRKGD-HZPDHXFCSA-N 0 0 371.441 2.806 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)N1CC(N(CC)C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000968066560 1014147187 /nfs/dbraw/zinc/14/71/87/1014147187.db2.gz ONUIWFWKZHMDMQ-MLGOLLRUSA-N 0 0 371.441 2.568 20 10 FFCDRN Oc1ccc(C[C@@H](O)c2nc(-c3ccc(C(F)(F)F)nc3)no2)cc1O ZINC001211668484 974321076 /nfs/dbraw/zinc/32/10/76/974321076.db2.gz OUAFEXLFLOUWFT-GFCCVEGCSA-N 0 0 367.283 2.838 20 10 FFCDRN Oc1ccc(C[C@H](O)c2nc(-c3ccc(C(F)(F)F)nc3)no2)cc1O ZINC001211668485 974321239 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cnc2n1CCOC2 ZINC000898954249 976795045 /nfs/dbraw/zinc/79/50/45/976795045.db2.gz SWRDUXRLLLNIJI-UHFFFAOYSA-N 0 0 371.485 2.600 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)c3c[nH]cc3C3CC3)cc2)CC1 ZINC000899473183 977171911 /nfs/dbraw/zinc/17/19/11/977171911.db2.gz OZQMJAFMEYPIBC-UHFFFAOYSA-N 0 0 366.465 2.524 20 10 FFCDRN CCc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(C)nn1 ZINC000759984298 977719387 /nfs/dbraw/zinc/71/93/87/977719387.db2.gz STZQRSJMYOJTFZ-QGZVFWFLSA-N 0 0 355.438 2.874 20 10 FFCDRN CCNC(=O)c1ccc(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000728947940 978013682 /nfs/dbraw/zinc/01/36/82/978013682.db2.gz VIUQGBKCBHQKRF-CYBMUJFWSA-N 0 0 371.437 2.711 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000728980186 978145840 /nfs/dbraw/zinc/14/58/40/978145840.db2.gz XKTSKEYDSRSWSE-LBPRGKRZSA-N 0 0 354.406 2.801 20 10 FFCDRN COCC(=O)Nc1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000729036639 978164233 /nfs/dbraw/zinc/16/42/33/978164233.db2.gz 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COc1ncccc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 ZINC000784058467 1030446425 /nfs/dbraw/zinc/44/64/25/1030446425.db2.gz WAARSVIMQKOIOD-UHFFFAOYSA-N 0 0 368.437 2.977 20 10 FFCDRN C[C@H](NC(=O)Nc1cccc2c1CCNC2=O)c1ccc(N(C)C)cc1 ZINC000841781836 1030463610 /nfs/dbraw/zinc/46/36/10/1030463610.db2.gz INEMQGRBMQOPTC-ZDUSSCGKSA-N 0 0 352.438 2.921 20 10 FFCDRN Cc1cc(N2CCC(NC(=O)N[C@@H](C)c3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000784108803 1030471248 /nfs/dbraw/zinc/47/12/48/1030471248.db2.gz QFBUDRCFDHOQTA-HNNXBMFYSA-N 0 0 370.501 2.813 20 10 FFCDRN Cc1cc(N2CCC(NC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)n[nH]1 ZINC000784131316 1030477394 /nfs/dbraw/zinc/47/73/94/1030477394.db2.gz SKNPRVJCTOZGHV-UHFFFAOYSA-N 0 0 370.501 2.595 20 10 FFCDRN COc1cccc(N2CCC[C@@H](NC(=O)NCCc3ccc(N)cc3)C2)c1 ZINC000841829494 1030491266 /nfs/dbraw/zinc/49/12/66/1030491266.db2.gz IBXKLYKTPQMRGP-GOSISDBHSA-N 0 0 368.481 2.788 20 10 FFCDRN COc1ccc(N2CCN(Cc3ccccc3C(=O)N(C)C)CC2)cc1F ZINC000841847949 1030499980 /nfs/dbraw/zinc/49/99/80/1030499980.db2.gz NLEDGOYDCGOEAG-UHFFFAOYSA-N 0 0 371.456 2.858 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncccc2S(C)(=O)=O)C1 ZINC001166815643 1030531426 /nfs/dbraw/zinc/53/14/26/1030531426.db2.gz DENLOKRQIPIPLJ-UHFFFAOYSA-N 0 0 371.462 2.548 20 10 FFCDRN COc1cccc([C@@H]2CN(C(=O)NCCc3ccc(N)cc3)CCO2)c1 ZINC000841958614 1030560583 /nfs/dbraw/zinc/56/05/83/1030560583.db2.gz GOMZJPUZGGJRPA-IBGZPJMESA-N 0 0 355.438 2.603 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCCN(c3ccccc3F)CC2)cc1 ZINC000841957100 1030560958 /nfs/dbraw/zinc/56/09/58/1030560958.db2.gz NUFZUANFXYWYBX-UHFFFAOYSA-N 0 0 356.445 2.872 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@H](c2ccccn2)C1=O ZINC000842265992 1030665359 /nfs/dbraw/zinc/66/53/59/1030665359.db2.gz YWDMACCFDJRQFU-KBXCAEBGSA-N 0 0 352.438 2.680 20 10 FFCDRN CCc1oc(C(=O)OC)cc1CN(C)c1ccc(OCC(=O)OC)cc1 ZINC000784563830 1030684652 /nfs/dbraw/zinc/68/46/52/1030684652.db2.gz LNKSKNGRAZCDRK-UHFFFAOYSA-N 0 0 361.394 2.817 20 10 FFCDRN COc1ccc(C[C@H](C)C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1OC ZINC000784631032 1030728116 /nfs/dbraw/zinc/72/81/16/1030728116.db2.gz LQJIHXUDMSKDAI-LBPRGKRZSA-N 0 0 374.389 2.720 20 10 FFCDRN Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCc1ccccc1O ZINC000784697048 1030763783 /nfs/dbraw/zinc/76/37/83/1030763783.db2.gz BIIKHWTXYBHJDB-UHFFFAOYSA-N 0 0 356.426 2.657 20 10 FFCDRN CCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CC(=O)N3Cc2cccnc2)c1O ZINC001203608148 1030783510 /nfs/dbraw/zinc/78/35/10/1030783510.db2.gz JPPUJQVRNLLRMN-QZTJIDSGSA-N 0 0 367.449 2.561 20 10 FFCDRN Oc1ccc(Cl)cc1CN1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001203657866 1030810711 /nfs/dbraw/zinc/81/07/11/1030810711.db2.gz HOAJSULLPIRPJO-IBGZPJMESA-N 0 0 374.872 2.707 20 10 FFCDRN COc1ccc(O)c(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@H](F)C2)c1 ZINC001203670581 1030817888 /nfs/dbraw/zinc/81/78/88/1030817888.db2.gz ULANISUSHNBKJY-HUUCEWRRSA-N 0 0 354.422 2.838 20 10 FFCDRN COc1ccc(O)c(CN2CCN(C(=O)OC(C)(C)C)C[C@H](F)C2)c1 ZINC001203669407 1030819254 /nfs/dbraw/zinc/81/92/54/1030819254.db2.gz BAHXCJOVSCCEMZ-CQSZACIVSA-N 0 0 354.422 2.792 20 10 FFCDRN C[C@H](NC(=O)[C@@H]1CN(C)C(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000784893084 1030870564 /nfs/dbraw/zinc/87/05/64/1030870564.db2.gz KCCKULZBSJFLFU-IFXJQAMLSA-N 0 0 351.450 2.799 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(NC(=O)c2ccco2)cc1 ZINC001142820892 1030922791 /nfs/dbraw/zinc/92/27/91/1030922791.db2.gz XFQBYGWPFBFLKZ-UHFFFAOYSA-N 0 0 366.373 2.802 20 10 FFCDRN CCN(CC)c1ccnc([C@H]2COCCN2Cc2ccc(N(C)C)cc2)n1 ZINC001203934055 1030992268 /nfs/dbraw/zinc/99/22/68/1030992268.db2.gz SMXIVBUYKLGJPB-LJQANCHMSA-N 0 0 369.513 2.962 20 10 FFCDRN COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1ccc(N(C)C)cc1 ZINC001203937449 1030998520 /nfs/dbraw/zinc/99/85/20/1030998520.db2.gz ZCIZLPUUGZWPIK-VQTJNVASSA-N 0 0 354.450 2.868 20 10 FFCDRN COCCn1cc(C(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)c(C)n1 ZINC000842874552 1031005426 /nfs/dbraw/zinc/00/54/26/1031005426.db2.gz GMEQQTPAVSAZDP-MRXNPFEDSA-N 0 0 373.453 2.530 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)COCc3ccccn3)C2)cc1 ZINC000842874698 1031005975 /nfs/dbraw/zinc/00/59/75/1031005975.db2.gz NYNOXWXSSNXYRA-MRXNPFEDSA-N 0 0 356.422 2.677 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cnc4nccnc4c3)C2)cc1 ZINC000842874222 1031007515 /nfs/dbraw/zinc/00/75/15/1031007515.db2.gz ARTQUZFMERYRJH-CQSZACIVSA-N 0 0 364.405 2.717 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)COCc3ncc(C)o3)C2)cc1 ZINC000842874425 1031008105 /nfs/dbraw/zinc/00/81/05/1031008105.db2.gz CUTWAMRDPDOXPR-HNNXBMFYSA-N 0 0 360.410 2.578 20 10 FFCDRN COCc1cncc(C(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000842875691 1031008785 /nfs/dbraw/zinc/00/87/85/1031008785.db2.gz OFMQYJQISASOTO-OAHLLOKOSA-N 0 0 356.422 2.920 20 10 FFCDRN CCCC(=O)N1CCC[C@@H]1C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842877632 1031009349 /nfs/dbraw/zinc/00/93/49/1031009349.db2.gz GOKNKJFCXBHQPP-VQIMIIECSA-N 0 0 374.481 2.856 20 10 FFCDRN CCCC(=O)N1CCC[C@@H]1C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842877631 1031009810 /nfs/dbraw/zinc/00/98/10/1031009810.db2.gz GOKNKJFCXBHQPP-QFBILLFUSA-N 0 0 374.481 2.856 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)CCOC[C@H]3CCCO3)C2)cc1 ZINC000842877181 1031010845 /nfs/dbraw/zinc/01/08/45/1031010845.db2.gz AFIIBAYXBZBKSP-VQIMIIECSA-N 0 0 363.454 2.650 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)C3(C)COC(C)(C)OC3)C2)cc1 ZINC000842880058 1031014319 /nfs/dbraw/zinc/01/43/19/1031014319.db2.gz VZDXDWGVXFBGEI-HNNXBMFYSA-N 0 0 363.454 2.854 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1nnn(Cc2ccncc2)c1C ZINC000797194551 1031026560 /nfs/dbraw/zinc/02/65/60/1031026560.db2.gz VCQPKEMBYVOABS-UHFFFAOYSA-N 0 0 365.437 2.788 20 10 FFCDRN CCc1ccc(CC)c(NC(=O)C(=O)NCc2ccc(OC)cc2O)c1 ZINC000797388266 1031097428 /nfs/dbraw/zinc/09/74/28/1031097428.db2.gz VRRHAOCJOUHXQY-UHFFFAOYSA-N 0 0 356.422 2.781 20 10 FFCDRN C[C@@H]1OCC[C@H]1c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCO1 ZINC000843032572 1031144615 /nfs/dbraw/zinc/14/46/15/1031144615.db2.gz GWNXEUNDBLUJCF-BHYGNILZSA-N 0 0 372.469 2.692 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc(Cn3cccn3)cc2)c(O)c1 ZINC000797618538 1031163981 /nfs/dbraw/zinc/16/39/81/1031163981.db2.gz KAYOAQRAGWNYIK-UHFFFAOYSA-N 0 0 352.394 2.967 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cc(C)nn2C2CCOCC2)c(O)c1 ZINC000797636937 1031169717 /nfs/dbraw/zinc/16/97/17/1031169717.db2.gz UFQPZDIFNRCVSU-UHFFFAOYSA-N 0 0 360.414 2.579 20 10 FFCDRN CCOC[C@H]1CN(Cc2ccc(O)cc2O)Cc2c1cnn2CC1CC1 ZINC001204273809 1031200382 /nfs/dbraw/zinc/20/03/82/1031200382.db2.gz VQVUKLVQFMWSDX-MRXNPFEDSA-N 0 0 357.454 2.840 20 10 FFCDRN COc1ccc(N2C[C@H](c3nc(Cc4ccc(N)cc4)no3)CC2=O)cc1 ZINC000843160819 1031216990 /nfs/dbraw/zinc/21/69/90/1031216990.db2.gz JXAJCJGHRKRORB-CQSZACIVSA-N 0 0 364.405 2.772 20 10 FFCDRN CCOc1cccc(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000797840595 1031225242 /nfs/dbraw/zinc/22/52/42/1031225242.db2.gz BPZYUNRPIHXAOW-MRXNPFEDSA-N 0 0 369.465 2.737 20 10 FFCDRN COc1cc(CN2CCC(C)(NC(=O)OC(C)(C)C)CC2)cc(O)c1O ZINC001204344892 1031240200 /nfs/dbraw/zinc/24/02/00/1031240200.db2.gz KMWRRPZUZZEGEO-UHFFFAOYSA-N 0 0 366.458 2.986 20 10 FFCDRN COc1cc(CN2CCC(N(C)C(=O)OC(C)(C)C)CC2)cc(O)c1O ZINC001204343865 1031240811 /nfs/dbraw/zinc/24/08/11/1031240811.db2.gz AXLBUWBQGFBMFE-UHFFFAOYSA-N 0 0 366.458 2.938 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@H](C)OC2(CCC2)C1 ZINC000843253669 1031269312 /nfs/dbraw/zinc/26/93/12/1031269312.db2.gz ZQYRMWZJZGXCPB-INIZCTEOSA-N 0 0 374.481 2.691 20 10 FFCDRN CC(=O)NCC(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000798012098 1031284397 /nfs/dbraw/zinc/28/43/97/1031284397.db2.gz BISKOGPLDIPEBI-UHFFFAOYSA-N 0 0 354.366 2.720 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cnc4cnccc4c3)CC2)cc1 ZINC000798402982 1031393248 /nfs/dbraw/zinc/39/32/48/1031393248.db2.gz FVALBAPFFDZNND-UHFFFAOYSA-N 0 0 362.433 2.991 20 10 FFCDRN COC(=O)[C@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1ccnn1C ZINC000843429881 1031400222 /nfs/dbraw/zinc/40/02/22/1031400222.db2.gz KVVIZWFXVSNSAN-OAHLLOKOSA-N 0 0 370.375 2.509 20 10 FFCDRN Cc1cc(N(C)C)ccc1CN[C@@H](C(=O)OC(C)(C)C)c1ccnn1C ZINC000843432550 1031401269 /nfs/dbraw/zinc/40/12/69/1031401269.db2.gz NNYBDAIDBNMFRC-GOSISDBHSA-N 0 0 358.486 2.967 20 10 FFCDRN Cc1cc(C(=O)N2CCN(Cc3cc(F)c(F)cc3O)CC2)c(C)o1 ZINC001204720841 1031415961 /nfs/dbraw/zinc/41/59/61/1031415961.db2.gz DICMWWOSXNYAEU-UHFFFAOYSA-N 0 0 350.365 2.838 20 10 FFCDRN CC(C)(C)OC(=O)N1CCc2onc(C(=O)NCc3ccccc3O)c2C1 ZINC001149994460 1031636724 /nfs/dbraw/zinc/63/67/24/1031636724.db2.gz GKCYCULAANBSIY-UHFFFAOYSA-N 0 0 373.409 2.603 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN(CC(F)F)C1 ZINC001150376730 1031706905 /nfs/dbraw/zinc/70/69/05/1031706905.db2.gz BYGVRKAFWMGPEC-CQSZACIVSA-N 0 0 352.425 2.864 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnn(Cc3ccccc3)c2N)c1 ZINC001150542797 1031736465 /nfs/dbraw/zinc/73/64/65/1031736465.db2.gz FCIGHSQPQPZKKP-CYBMUJFWSA-N 0 0 366.421 2.719 20 10 FFCDRN Cc1cc(CCNC(=O)NCC2([S@](C)=O)CC2)c(C)n1-c1ccccc1 ZINC000799404134 1031762698 /nfs/dbraw/zinc/76/26/98/1031762698.db2.gz SUKLRISDDTXGGV-SANMLTNESA-N 0 0 373.522 2.847 20 10 FFCDRN Cc1nnc(CNC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)o1 ZINC001115883447 1031999277 /nfs/dbraw/zinc/99/92/77/1031999277.db2.gz IQUFYIADFSSWQX-UHFFFAOYSA-N 0 0 369.425 2.949 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H](C(=O)NC3CC3)C2)c(C)n1-c1ccccn1 ZINC001115919474 1032015036 /nfs/dbraw/zinc/01/50/36/1032015036.db2.gz KYULHOJNKSOVTM-MRXNPFEDSA-N 0 0 366.465 2.620 20 10 FFCDRN CC(C)(C)OC(=O)NC1(C)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000829714230 1033300073 /nfs/dbraw/zinc/30/00/73/1033300073.db2.gz TYHDTOHRZGVRQI-UHFFFAOYSA-N 0 0 368.405 2.756 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ncoc3C(F)(F)F)CC2)cc1F ZINC000829869408 1033372748 /nfs/dbraw/zinc/37/27/48/1033372748.db2.gz PJIORGATXCLUHC-UHFFFAOYSA-N 0 0 373.306 2.804 20 10 FFCDRN Cc1cc(C(=O)CN2CCOCC(F)(F)C2)c(C)n1-c1ccc(F)cn1 ZINC000829927395 1033397184 /nfs/dbraw/zinc/39/71/84/1033397184.db2.gz RBFWSYDWEOPJKN-UHFFFAOYSA-N 0 0 367.371 2.778 20 10 FFCDRN Cc1cc(CC(=O)NCCCO[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000829969202 1033414310 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/nfs/dbraw/zinc/26/37/39/1055263739.db2.gz BOGRGQOKWSCKQX-MRXNPFEDSA-N 0 0 368.481 2.827 20 10 FFCDRN CCc1cccc(CN2CCNC(=O)[C@@H]2c2c(C)nc3ccccn32)c1O ZINC000848885521 1055303463 /nfs/dbraw/zinc/30/34/63/1055303463.db2.gz TZMLFOQHBZIFMG-IBGZPJMESA-N 0 0 364.449 2.584 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3c(C)cc(C)oc3=O)CC2)cc1 ZINC001338222909 1055337187 /nfs/dbraw/zinc/33/71/87/1055337187.db2.gz TUGUHBRLTXCWNV-UHFFFAOYSA-N 0 0 356.422 2.618 20 10 FFCDRN C[C@@H](NCc1ccc(N2CCOCC2)cc1)C(=O)OCc1ccccc1 ZINC000848921328 1055368357 /nfs/dbraw/zinc/36/83/57/1055368357.db2.gz RKGSZCAIHIQJOQ-QGZVFWFLSA-N 0 0 354.450 2.745 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C1CCC(F)(F)CC1 ZINC000848930514 1055387624 /nfs/dbraw/zinc/38/76/24/1055387624.db2.gz USQLDCYRUNYFHU-CYBMUJFWSA-N 0 0 367.440 2.699 20 10 FFCDRN Cc1cnc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000847295119 1055405755 /nfs/dbraw/zinc/40/57/55/1055405755.db2.gz HMOUASYUSCUFRV-UHFFFAOYSA-N 0 0 368.481 2.577 20 10 FFCDRN CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCCO1 ZINC000847295879 1055410340 /nfs/dbraw/zinc/41/03/40/1055410340.db2.gz RAGOVWCIHCWHQD-OALUTQOASA-N 0 0 361.486 2.670 20 10 FFCDRN C=CC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC001543817047 1071551009 /nfs/dbraw/zinc/55/10/09/1071551009.db2.gz HHZHPMFURSNDGC-UHFFFAOYSA-N 0 0 365.433 2.578 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCN(CC(F)F)CC1 ZINC001338386213 1055466633 /nfs/dbraw/zinc/46/66/33/1055466633.db2.gz SIAJXPYRQPNNGU-UHFFFAOYSA-N 0 0 356.394 2.726 20 10 FFCDRN Cn1ccnc1[C@H](NC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC001349857685 1055503315 /nfs/dbraw/zinc/50/33/15/1055503315.db2.gz LCSFZCMPJHAOCQ-NSHDSACASA-N 0 0 362.739 2.882 20 10 FFCDRN C[C@H](Cc1c[nH]cn1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000847363318 1055603381 /nfs/dbraw/zinc/60/33/81/1055603381.db2.gz XQNWHOOJTLBNAL-RBSFLKMASA-N 0 0 374.460 2.657 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3cccc(O)c3O)C2)cc1 ZINC001352658441 1055691887 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LMYACLRLCLPDNV-UHFFFAOYSA-N 0 0 364.449 2.534 20 10 FFCDRN CC[C@@H](C)c1nc(C)c(CC(=O)NCCc2ccc(O)c(O)c2)c(C)n1 ZINC000847589399 1056110216 /nfs/dbraw/zinc/11/02/16/1056110216.db2.gz IXGJYMWJLYNGPI-GFCCVEGCSA-N 0 0 357.454 2.920 20 10 FFCDRN C[C@H]1CSCCN1c1nnc(C2SC=CC2=O)n1C[C@@H]1CCCO1 ZINC001358235167 1056207936 /nfs/dbraw/zinc/20/79/36/1056207936.db2.gz JQNZXISHCRCUGV-RYUDHWBXSA-N 0 0 366.512 2.833 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001351342298 1056209288 /nfs/dbraw/zinc/20/92/88/1056209288.db2.gz ISHPXRCGVSKASO-MOPGFXCFSA-N 0 0 368.481 2.808 20 10 FFCDRN CCN(C)C(=O)CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S ZINC001353268158 1056243314 /nfs/dbraw/zinc/24/33/14/1056243314.db2.gz QDOIXQYYPSDUOK-JLHYYAGUSA-N 0 0 352.456 2.895 20 10 FFCDRN CCOCCOC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001544377347 1071636432 /nfs/dbraw/zinc/63/64/32/1071636432.db2.gz JLZCLHDCBVBHMH-UHFFFAOYSA-N 0 0 365.451 2.970 20 10 FFCDRN COc1ccc(N2CCCN(c3nnc(-c4cnoc4C)n3C)CC2)cc1 ZINC001339504972 1056524615 /nfs/dbraw/zinc/52/46/15/1056524615.db2.gz HXOKLIIQSHULGN-UHFFFAOYSA-N 0 0 368.441 2.504 20 10 FFCDRN CN(Cc1ccc([S@@](C)=O)cc1)c1nnc(C2SC=CC2=O)n1C ZINC001339575339 1056600375 /nfs/dbraw/zinc/60/03/75/1056600375.db2.gz YMUVVYPCMHMTTR-XMMPIXPASA-N 0 0 362.480 2.623 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCc2c[nH][nH]c2=O)c1 ZINC001353850361 1058289931 /nfs/dbraw/zinc/28/99/31/1058289931.db2.gz CCJVBYYODGVQQI-AWEZNQCLSA-N 0 0 372.856 2.989 20 10 FFCDRN CC(C)CN(C[C@@H](O)c1ccc(F)cc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001445541034 1058416426 /nfs/dbraw/zinc/41/64/26/1058416426.db2.gz RXFXSDSMWNQEPT-LJQANCHMSA-N 0 0 361.413 2.998 20 10 FFCDRN Cc1ccc(CNC(=O)Cc2ccc(O)c(O)c2)c(OC[C@H]2CCCO2)c1 ZINC001445796678 1058444004 /nfs/dbraw/zinc/44/40/04/1058444004.db2.gz WNUUJHWJYYFQHR-QGZVFWFLSA-N 0 0 371.433 2.823 20 10 FFCDRN CC[C@H](c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1)[C@H](C)O ZINC001519113451 1058634678 /nfs/dbraw/zinc/63/46/78/1058634678.db2.gz ALTYPRMCLOZECC-ZOBUZTSGSA-N 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/nfs/dbraw/zinc/69/82/37/1059698237.db2.gz NLDGECRBVZWPKC-VIFPVBQESA-N 0 0 364.195 2.594 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCc3c(nnn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000848311067 1059701612 /nfs/dbraw/zinc/70/16/12/1059701612.db2.gz WWRZRNFDELGKRI-HNNXBMFYSA-N 0 0 367.428 2.649 20 10 FFCDRN CN(CCCCC(=O)NCc1cccc(O)c1O)C(=O)OC(C)(C)C ZINC001520508948 1059745638 /nfs/dbraw/zinc/74/56/38/1059745638.db2.gz PSXLUKAWNDANTJ-UHFFFAOYSA-N 0 0 352.431 2.751 20 10 FFCDRN Cc1cc(CC(=O)N[C@H]2Cc3cnccc3NC2=O)c(C)n1-c1ccccc1 ZINC001455345670 1059766907 /nfs/dbraw/zinc/76/69/07/1059766907.db2.gz VSFAYNLJDIIFMU-FQEVSTJZSA-N 0 0 374.444 2.711 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC(C)(C)CS(C)(=O)=O ZINC001455563137 1059822831 /nfs/dbraw/zinc/82/28/31/1059822831.db2.gz XBGZTINIOMUFBH-UHFFFAOYSA-N 0 0 368.524 2.956 20 10 FFCDRN CCCn1c(N(C)Cc2ccccc2O)nnc1[C@@]1(OCC)CCOC1 ZINC001547163793 1071926691 /nfs/dbraw/zinc/92/66/91/1071926691.db2.gz PMDWPYALFPQLEN-LJQANCHMSA-N 0 0 360.458 2.682 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC(Nc3ccccn3)CC2)cc1 ZINC001455895723 1059944947 /nfs/dbraw/zinc/94/49/47/1059944947.db2.gz PWIQPNLLXGDIHU-UHFFFAOYSA-N 0 0 352.398 2.961 20 10 FFCDRN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)c1nc(C(F)(F)F)n[nH]1 ZINC001456397856 1060113553 /nfs/dbraw/zinc/11/35/53/1060113553.db2.gz PFBSJIYBNUKHMA-YFKPBYRVSA-N 0 0 372.328 2.940 20 10 FFCDRN COc1ccccc1N1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001355344933 1060152298 /nfs/dbraw/zinc/15/22/98/1060152298.db2.gz QFOANCNQHJJCGC-UHFFFAOYSA-N 0 0 371.466 2.584 20 10 FFCDRN CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)NCCc1ccc(N)cc1 ZINC000848603250 1060332670 /nfs/dbraw/zinc/33/26/70/1060332670.db2.gz MVHGZXMSHHBXIZ-UHFFFAOYSA-N 0 0 363.364 2.974 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(C)c1OC ZINC000848633398 1060369727 /nfs/dbraw/zinc/36/97/27/1060369727.db2.gz LSAUZRGGSXFFDT-UHFFFAOYSA-N 0 0 370.449 2.764 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1noc2ccccc21 ZINC000848633609 1060373976 /nfs/dbraw/zinc/37/39/76/1060373976.db2.gz 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ZINC001558720757 1076062474 /nfs/dbraw/zinc/06/24/74/1076062474.db2.gz JZUKTGGZMJPKQJ-CQSZACIVSA-N 0 0 356.241 2.854 20 10 FFCDRN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)[C@H]1C ZINC001558847634 1076088384 /nfs/dbraw/zinc/08/83/84/1076088384.db2.gz AUSYVUCDCNJGBD-QCBCLRDLSA-N 0 0 361.438 2.936 20 10 FFCDRN COC(=O)N1CC(C)([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001560754733 1076297197 /nfs/dbraw/zinc/29/71/97/1076297197.db2.gz QGQHQVJPSIZCSP-UHFFFAOYSA-N 0 0 363.639 2.738 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC001561081963 1076329835 /nfs/dbraw/zinc/32/98/35/1076329835.db2.gz XQHOXMALTDUWHD-ZWKOTPCHSA-N 0 0 365.543 2.941 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cccc3ccncc32)cc1F ZINC001561182011 1076343561 /nfs/dbraw/zinc/34/35/61/1076343561.db2.gz XZIVGLJYEAUIKC-UHFFFAOYSA-N 0 0 359.426 2.918 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001564450174 1076633842 /nfs/dbraw/zinc/63/38/42/1076633842.db2.gz 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ZINC000180515981 509962674 /nfs/dbraw/zinc/96/26/74/509962674.db2.gz HNZKIYUMVOBJBQ-UHFFFAOYSA-N 0 0 350.415 2.788 20 10 FFCDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000177398490 510035624 /nfs/dbraw/zinc/03/56/24/510035624.db2.gz UBCVYPLOMGWMNY-UHFFFAOYSA-N 0 0 353.426 2.722 20 10 FFCDRN COc1cccc(N2CC[C@@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000180740347 510082902 /nfs/dbraw/zinc/08/29/02/510082902.db2.gz URABURGYKYQVCH-BVBGJJFLSA-N 0 0 368.433 2.762 20 10 FFCDRN C[C@@H](CC(=O)NCc1ccc(N2CCCC2)cc1)NC(=O)C1CCCC1 ZINC000171376920 510115413 /nfs/dbraw/zinc/11/54/13/510115413.db2.gz RTZQBEGTJRNIFI-INIZCTEOSA-N 0 0 357.498 2.988 20 10 FFCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cn(-c2ccccc2)nn1 ZINC000180866268 510152007 /nfs/dbraw/zinc/15/20/07/510152007.db2.gz KOJIGKUIGSDCMZ-AORWBKJGSA-N 0 0 350.378 2.569 20 10 FFCDRN Cc1nnsc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000190543229 510195102 /nfs/dbraw/zinc/19/51/02/510195102.db2.gz MPDYQEHMLSUYJU-NSHDSACASA-N 0 0 368.409 2.847 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/nfs/dbraw/zinc/28/80/98/510288098.db2.gz FXZNTNDEBHTIDL-UHFFFAOYSA-N 0 0 361.467 2.528 20 10 FFCDRN COc1ccc(C(=O)CCC(=O)NCCc2ccc(O)c(O)c2)cc1F ZINC000269235710 510301788 /nfs/dbraw/zinc/30/17/88/510301788.db2.gz UOUQXFOEJMLPHK-UHFFFAOYSA-N 0 0 361.369 2.567 20 10 FFCDRN Cc1cc(/C=C/C(=O)NCC2(O)CCOCC2)c(C)n1-c1ccccc1 ZINC000174811590 510325156 /nfs/dbraw/zinc/32/51/56/510325156.db2.gz VEFYMLJZAIAOCS-CMDGGOBGSA-N 0 0 354.450 2.765 20 10 FFCDRN C[C@](O)(CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000177918476 510327034 /nfs/dbraw/zinc/32/70/34/510327034.db2.gz STTAFFQFENZOHZ-ZGBFETHSSA-N 0 0 372.490 2.622 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nnc(C(F)(F)F)s1 ZINC000190924865 510417586 /nfs/dbraw/zinc/41/75/86/510417586.db2.gz HVTBTTRCRRBEMP-LURJTMIESA-N 0 0 362.333 2.721 20 10 FFCDRN Cc1nc(C)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)o1 ZINC000266118615 510418133 /nfs/dbraw/zinc/41/81/33/510418133.db2.gz HKTMQOAATHBZBR-VXGBXAGGSA-N 0 0 361.417 2.974 20 10 FFCDRN COc1ccc(=O)n(CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)n1 ZINC000194572802 510428928 /nfs/dbraw/zinc/42/89/28/510428928.db2.gz SNTPKPWLXVTMNT-UHFFFAOYSA-N 0 0 369.396 2.990 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1CCOC ZINC000190976708 510445599 /nfs/dbraw/zinc/44/55/99/510445599.db2.gz SBZVJURTSGZQPM-UHFFFAOYSA-N 0 0 370.449 2.958 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(Cc3c(C)noc3C)CC2)c1O ZINC000184681534 510459586 /nfs/dbraw/zinc/45/95/86/510459586.db2.gz OUJXUGFKDJBGGK-UHFFFAOYSA-N 0 0 365.861 2.977 20 10 FFCDRN Cc1c(C(=O)N2CCOc3cc(N(C)C)ccc32)[nH]c2c1C(=O)CCC2 ZINC000266324488 510518178 /nfs/dbraw/zinc/51/81/78/510518178.db2.gz HVCIGQLEHKUOFA-UHFFFAOYSA-N 0 0 353.422 2.947 20 10 FFCDRN CCCCn1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)n1 ZINC000184809317 510526072 /nfs/dbraw/zinc/52/60/72/510526072.db2.gz IFNUEYRZGWNZFV-UHFFFAOYSA-N 0 0 374.460 2.897 20 10 FFCDRN O=C1CC[C@@H]2CN(S(=O)(=O)c3cccc4nsnc43)c3cccc1c32 ZINC000194804952 510535947 /nfs/dbraw/zinc/53/59/47/510535947.db2.gz 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O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1Cc2ccccc2C1 ZINC000277164561 510955773 /nfs/dbraw/zinc/95/57/73/510955773.db2.gz AMCUDVFBMCDGFU-UHFFFAOYSA-N 0 0 364.489 2.927 20 10 FFCDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000277258396 510957959 /nfs/dbraw/zinc/95/79/59/510957959.db2.gz QLEZBWRUGFYOSU-WTANOLMUSA-N 0 0 373.453 2.700 20 10 FFCDRN CCCN1CC(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O ZINC000277295481 510960436 /nfs/dbraw/zinc/96/04/36/510960436.db2.gz UXNIEKMOMTVJLU-AWEZNQCLSA-N 0 0 367.396 2.931 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1COc2ccccc2C1 ZINC000277403133 510961913 /nfs/dbraw/zinc/96/19/13/510961913.db2.gz QDPCBZFEJLUEGL-HNNXBMFYSA-N 0 0 372.808 2.814 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(O)ccc1Cl ZINC000277419214 510962120 /nfs/dbraw/zinc/96/21/20/510962120.db2.gz MFOOYZBVUUCZMQ-UHFFFAOYSA-N 0 0 364.804 2.951 20 10 FFCDRN C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1O ZINC000277604183 510967447 /nfs/dbraw/zinc/96/74/47/510967447.db2.gz 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C[C@@H]1C[C@H](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCO1 ZINC000271325672 511164576 /nfs/dbraw/zinc/16/45/76/511164576.db2.gz BNEKHGJFTDPURN-JFIYKMOQSA-N 0 0 362.470 2.898 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)c1[O-] ZINC000282927356 511165113 /nfs/dbraw/zinc/16/51/13/511165113.db2.gz WGVIQHLYZZZRLP-BDJLRTHQSA-N 0 0 370.833 2.611 20 10 FFCDRN Cc1noc(C)c1CO[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000364942763 511168165 /nfs/dbraw/zinc/16/81/65/511168165.db2.gz UGMLJPCRTQTUSL-DRDHIDPGSA-N 0 0 358.394 2.534 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000283133117 511248992 /nfs/dbraw/zinc/24/89/92/511248992.db2.gz GTJVMVDCBPJSEX-OGHNNQOOSA-N 0 0 350.415 2.519 20 10 FFCDRN CC[C@@](C)(OC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000279967476 511284127 /nfs/dbraw/zinc/28/41/27/511284127.db2.gz CYPDCBCHPNNCEZ-BIENJYKASA-N 0 0 352.450 2.871 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(S(C)(=O)=O)CCC1 ZINC000280016939 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/nfs/dbraw/zinc/50/30/83/511503083.db2.gz IQQZVODTDDIQDL-KBPBESRZSA-N 0 0 357.429 2.952 20 10 FFCDRN CN(C)C(=O)CCNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000299093256 511512363 /nfs/dbraw/zinc/51/23/63/511512363.db2.gz USQLYMLQHOBABV-UHFFFAOYSA-N 0 0 372.469 2.536 20 10 FFCDRN CCOc1ccccc1NC(=O)CN(C)c1ccc(OCC(=O)OC)cc1 ZINC000273066949 511516537 /nfs/dbraw/zinc/51/65/37/511516537.db2.gz IOBLZDVUMZHQTE-UHFFFAOYSA-N 0 0 372.421 2.712 20 10 FFCDRN Cc1nc(C2CC2)oc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000273502310 511528966 /nfs/dbraw/zinc/52/89/66/511528966.db2.gz OKIYSBVRZCPCBJ-UHFFFAOYSA-N 0 0 359.401 2.766 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(C(=O)NC3CC3)c2)c1 ZINC000273551292 511530995 /nfs/dbraw/zinc/53/09/95/511530995.db2.gz GBNQVCKTOAETAS-CYBMUJFWSA-N 0 0 368.433 2.922 20 10 FFCDRN Cc1nn(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1[N+](=O)[O-] ZINC000299157328 511534067 /nfs/dbraw/zinc/53/40/67/511534067.db2.gz NKOGGGSNLYDCGP-UHFFFAOYSA-N 0 0 357.414 2.508 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2cccs2)cc1F ZINC000284030182 511581320 /nfs/dbraw/zinc/58/13/20/511581320.db2.gz MYEDMIZBVPMVQF-UHFFFAOYSA-N 0 0 363.458 2.666 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)cc1 ZINC000280755773 511589157 /nfs/dbraw/zinc/58/91/57/511589157.db2.gz IFAUXZFYESYRSB-OXQOHEQNSA-N 0 0 361.486 2.622 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1([S@](C)=O)CCC1 ZINC000280843796 511625672 /nfs/dbraw/zinc/62/56/72/511625672.db2.gz VUSUAHNOBHBYKI-DEOSSOPVSA-N 0 0 351.516 2.585 20 10 FFCDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000299418530 511628218 /nfs/dbraw/zinc/62/82/18/511628218.db2.gz UIDZGMMCUCQHPJ-UHFFFAOYSA-N 0 0 371.441 2.747 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cccc(OCC)c1 ZINC000284201326 511640850 /nfs/dbraw/zinc/64/08/50/511640850.db2.gz MIGCPGKUTDKLGH-UHFFFAOYSA-N 0 0 370.449 2.846 20 10 FFCDRN O=C(NCc1ccccc1O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000299472738 511649555 /nfs/dbraw/zinc/64/95/55/511649555.db2.gz 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COc1cccc(C(=O)CCCC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000293587090 512018075 /nfs/dbraw/zinc/01/80/75/512018075.db2.gz CWCVSWLEZTYSSJ-UHFFFAOYSA-N 0 0 357.406 2.818 20 10 FFCDRN Cc1cccc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)c1C ZINC000293630996 512033230 /nfs/dbraw/zinc/03/32/30/512033230.db2.gz JXJUFNZYVIWMSG-UHFFFAOYSA-N 0 0 362.451 2.653 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCOC3(CCOCC3)CC2)c1[O-] ZINC000364236629 512037099 /nfs/dbraw/zinc/03/70/99/512037099.db2.gz MDGIQPRSPNSHOX-UHFFFAOYSA-N 0 0 356.806 2.725 20 10 FFCDRN NC(=O)C[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000297197277 512057784 /nfs/dbraw/zinc/05/77/84/512057784.db2.gz VRPNYXJROKJWGU-LJQANCHMSA-N 0 0 366.465 2.703 20 10 FFCDRN CCc1cc(=O)[nH]c(-c2ccc(NCc3ccc(OC)cc3O)nc2)n1 ZINC000366503755 512058260 /nfs/dbraw/zinc/05/82/60/512058260.db2.gz GFGYIAZJBKBHNG-UHFFFAOYSA-N 0 0 352.394 2.555 20 10 FFCDRN CCn1cc([C@@H](C)NC(=O)NCc2cccc(Br)c2O)cn1 ZINC000297221553 512065454 /nfs/dbraw/zinc/06/54/54/512065454.db2.gz ZFYTWBBTQTUYCR-SNVBAGLBSA-N 0 0 367.247 2.932 20 10 FFCDRN COc1ccc(CNC(=O)[C@H]2CCC(=O)N2Cc2ccc(C)cc2)c(O)c1 ZINC000366539580 512079222 /nfs/dbraw/zinc/07/92/22/512079222.db2.gz JBQJRMAFFLUHBS-GOSISDBHSA-N 0 0 368.433 2.517 20 10 FFCDRN COc1cc(NC2CCN(C(=O)c3cccc(O)c3O)CC2)cc(OC)c1 ZINC000364397586 512106447 /nfs/dbraw/zinc/10/64/47/512106447.db2.gz MWSMZZRNQNVRBO-UHFFFAOYSA-N 0 0 372.421 2.832 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC23CCCCC3)c1 ZINC000367454993 512506283 /nfs/dbraw/zinc/50/62/83/512506283.db2.gz ZPCBLODADPOYLG-UHFFFAOYSA-N 0 0 352.456 2.703 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H]2CCOc3c(OC)cccc32)c1O ZINC000377909506 512508041 /nfs/dbraw/zinc/50/80/41/512508041.db2.gz QBYKKXLURGAEQF-CQSZACIVSA-N 0 0 358.394 2.732 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(Oc3cnccn3)CC2)c1[O-] ZINC000369691051 512556686 /nfs/dbraw/zinc/55/66/86/512556686.db2.gz CHNJSZUMURNDBC-UHFFFAOYSA-N 0 0 364.789 2.787 20 10 FFCDRN Cc1ccc2c(c1)CN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CCO2 ZINC000367734078 512638159 /nfs/dbraw/zinc/63/81/59/512638159.db2.gz LZARPNOHISHWAU-UHFFFAOYSA-N 0 0 355.350 2.633 20 10 FFCDRN C[C@@](O)(C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000376076737 512650157 /nfs/dbraw/zinc/65/01/57/512650157.db2.gz BOWOGKQYQIOOFF-SFHVURJKSA-N 0 0 354.397 2.534 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2C[C@]23CCOC3)cc1 ZINC000372053644 512695230 /nfs/dbraw/zinc/69/52/30/512695230.db2.gz PQKMSKQKIKHKDG-ZVDOUQERSA-N 0 0 358.482 2.687 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000374283612 512745361 /nfs/dbraw/zinc/74/53/61/512745361.db2.gz MBCRJOUERNHALP-IRXDYDNUSA-N 0 0 361.486 2.732 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@]3(CCCOC3)C2)cc1 ZINC000376288475 512751707 /nfs/dbraw/zinc/75/17/07/512751707.db2.gz HWFLBKJXWFYDDI-FQEVSTJZSA-N 0 0 361.486 2.624 20 10 FFCDRN CN(c1ccc(CNC(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)cc1)C1CCCCC1 ZINC000368191495 512839559 /nfs/dbraw/zinc/83/95/59/512839559.db2.gz ANTPSSOQCXEDFT-PMOLBWCYSA-N 0 0 357.498 2.835 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N1CCCCO1 ZINC000374812346 513015526 /nfs/dbraw/zinc/01/55/26/513015526.db2.gz ZQVKZYKEABIWAS-UHFFFAOYSA-N 0 0 355.385 2.994 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)c(C)n1-c1ccccn1 ZINC000370666933 513042600 /nfs/dbraw/zinc/04/26/00/513042600.db2.gz JQBZSAMIQYZQAL-HRAATJIYSA-N 0 0 369.465 2.899 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3c(C)[nH]c(=O)[nH]c3=O)ccc21 ZINC000440362111 513299804 /nfs/dbraw/zinc/29/98/04/513299804.db2.gz DHYPDHCHUGOFOX-UHFFFAOYSA-N 0 0 370.409 2.666 20 10 FFCDRN Cc1cc(OCC(=O)N2CCOc3cc(N(C)C)ccc32)ccc1[N+](=O)[O-] ZINC000430675073 513719269 /nfs/dbraw/zinc/71/92/69/513719269.db2.gz DGJDQZKEVVZKHR-UHFFFAOYSA-N 0 0 371.393 2.774 20 10 FFCDRN CCOC(=O)c1cnc(NC(=O)NCc2c(C)c3ccccc3n2C)n1C ZINC000417124736 514179046 /nfs/dbraw/zinc/17/90/46/514179046.db2.gz NHIUBXJWTBFDGJ-UHFFFAOYSA-N 0 0 369.425 2.719 20 10 FFCDRN COc1cc(N(C)C(=O)c2c[nH]cc2-c2cnn(C)c2)cc(OC)c1OC ZINC000427500831 514234768 /nfs/dbraw/zinc/23/47/68/514234768.db2.gz ZYOQPYCJNTVQSO-UHFFFAOYSA-N 0 0 370.409 2.718 20 10 FFCDRN Cc1ccnc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)n1 ZINC000432684776 514260362 /nfs/dbraw/zinc/26/03/62/514260362.db2.gz KWCHYNQPKMFJCR-UHFFFAOYSA-N 0 0 363.402 2.718 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCN(C)CC(F)(F)F ZINC000471858053 515033728 /nfs/dbraw/zinc/03/37/28/515033728.db2.gz FWLIXECEHMWNDC-UHFFFAOYSA-N 0 0 356.392 2.780 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cn1c(C)nc2ccccc2c1=O ZINC000509402943 515160599 /nfs/dbraw/zinc/16/05/99/515160599.db2.gz AVVYHUBFTIBFIK-UHFFFAOYSA-N 0 0 374.444 2.821 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000509412317 515164696 /nfs/dbraw/zinc/16/46/96/515164696.db2.gz ZBTYSHANGHIVSP-FQEVSTJZSA-N 0 0 355.482 2.604 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000472799045 515402670 /nfs/dbraw/zinc/40/26/70/515402670.db2.gz YVPRGIWARSEUMA-UHFFFAOYSA-N 0 0 361.405 2.618 20 10 FFCDRN CCSCC[C@@H](C)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000500804576 515867242 /nfs/dbraw/zinc/86/72/42/515867242.db2.gz VVJQXQPNZAINMB-CYBMUJFWSA-N 0 0 361.511 2.751 20 10 FFCDRN Cc1ccc([C@@H](C)[C@H](O)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000494582086 515887816 /nfs/dbraw/zinc/88/78/16/515887816.db2.gz AEVJBIGBTREJAU-QRWLVFNGSA-N 0 0 354.450 2.951 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000528858262 516754736 /nfs/dbraw/zinc/75/47/36/516754736.db2.gz SIFCDVCPIGVURU-LLVKDONJSA-N 0 0 369.343 2.549 20 10 FFCDRN CC(=O)Nc1cc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000528882672 516770251 /nfs/dbraw/zinc/77/02/51/516770251.db2.gz MQRRKUNYKURZEA-KRWDZBQOSA-N 0 0 369.421 2.567 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCOc1ncccc1F ZINC000527157946 517532389 /nfs/dbraw/zinc/53/23/89/517532389.db2.gz NMRZRIQPFOIQIN-UHFFFAOYSA-N 0 0 356.401 2.899 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cc(N2CCOCC2)ccn1 ZINC000527183823 517548615 /nfs/dbraw/zinc/54/86/15/517548615.db2.gz OTZQUDIYONQXJV-UHFFFAOYSA-N 0 0 364.449 2.648 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000530207288 517631493 /nfs/dbraw/zinc/63/14/93/517631493.db2.gz FNXWABUQNOSQCF-ZAQLIGFBSA-N 0 0 352.818 2.622 20 10 FFCDRN Cc1cnc(C)c(N2CC=C(CCN3C(=O)c4ccccc4C3=O)CC2)n1 ZINC000530431320 517770933 /nfs/dbraw/zinc/77/09/33/517770933.db2.gz ROPWWVZAXHAXNR-UHFFFAOYSA-N 0 0 362.433 2.916 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@@H](C)c1ccccn1 ZINC000578810114 518382593 /nfs/dbraw/zinc/38/25/93/518382593.db2.gz TYSBXLVKYFUFQW-HNNXBMFYSA-N 0 0 364.449 2.718 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCc1ccc(F)c(F)c1 ZINC000577186212 518955814 /nfs/dbraw/zinc/95/58/14/518955814.db2.gz ZUAVVNOPDRFIKY-UHFFFAOYSA-N 0 0 371.387 2.698 20 10 FFCDRN Oc1ccc2c(c1CNc1nc3c(cc1-c1nn[nH]n1)CCC3)CCCC2 ZINC000823732972 599063853 /nfs/dbraw/zinc/06/38/53/599063853.db2.gz QXLIGDYVWGUIDF-UHFFFAOYSA-N 0 0 362.437 2.947 20 10 FFCDRN Fc1ccc2c(C3=CCN(c4nccnc4-c4nn[nH]n4)CC3)c[nH]c2c1 ZINC000737655716 598345517 /nfs/dbraw/zinc/34/55/17/598345517.db2.gz FBSYLGGJBARSBA-UHFFFAOYSA-N 0 0 362.372 2.571 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736479814 598543163 /nfs/dbraw/zinc/54/31/63/598543163.db2.gz IKSJXBRSTUDZBH-UHFFFAOYSA-N 0 0 366.425 2.694 20 10 FFCDRN COc1ccc(N2CC[NH+]([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)cc1F ZINC000832384043 601551665 /nfs/dbraw/zinc/55/16/65/601551665.db2.gz QRPZUFXRYOHRAO-SFHVURJKSA-N 0 0 362.376 2.921 20 10 FFCDRN C[C@@H]1CN(c2ccc(C[NH2+]C3CCN(C(=O)[O-])CC3)cc2F)C[C@@H](C)O1 ZINC000826082279 604180196 /nfs/dbraw/zinc/18/01/96/604180196.db2.gz LZELFXSNRRJLNW-ZIAGYGMSSA-N 0 0 365.449 2.671 20 10 FFCDRN C[C@@H]([NH2+][C@H](CNC(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000825471940 604359077 /nfs/dbraw/zinc/35/90/77/604359077.db2.gz DLFLMMFKOKNHFO-SJKOYZFVSA-N 0 0 367.877 2.873 20 10 FFCDRN COc1ccc(N(C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1F ZINC000821828085 606923411 /nfs/dbraw/zinc/92/34/11/606923411.db2.gz PQWKAOFZPIQXJU-QGZVFWFLSA-N 0 0 371.416 2.963 20 10 FFCDRN Cc1nnc(N2CC=C(c3ccc(Cl)nc3)CC2)c(-c2nn[nH]n2)c1C ZINC000826335975 608295994 /nfs/dbraw/zinc/29/59/94/608295994.db2.gz IOPXYFXVKSBQTE-UHFFFAOYSA-N 0 0 368.832 2.616 20 10 FFCDRN Cc1cc(CCNc2ccc(-c3nn[nH]n3)nn2)c(C)n1-c1ccccc1 ZINC000826266704 608393273 /nfs/dbraw/zinc/39/32/73/608393273.db2.gz YKWSPYCYIRAGAZ-UHFFFAOYSA-N 0 0 360.425 2.719 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1F ZINC000825880222 608575153 /nfs/dbraw/zinc/57/51/53/608575153.db2.gz ZHWXBJSKCQOYLA-UHFFFAOYSA-N 0 0 374.807 2.655 20 10 FFCDRN C[C@H](NC(=O)NOCCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000154139938 728796884 /nfs/dbraw/zinc/79/68/84/728796884.db2.gz BMKUWZDELDGPPQ-LBPRGKRZSA-N 0 0 361.364 2.767 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000154611601 728808185 /nfs/dbraw/zinc/80/81/85/728808185.db2.gz KROHFHFANRZOIX-LBPRGKRZSA-N 0 0 351.501 2.938 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)CC[S@](C)=O)c2C)cc1 ZINC000746007259 735457582 /nfs/dbraw/zinc/45/75/82/735457582.db2.gz NGIHVVFHRCXDQJ-CANCMXDXSA-N 0 0 362.495 2.990 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)CC[S@@](C)=O)c2C)cc1 ZINC000746007262 735457637 /nfs/dbraw/zinc/45/76/37/735457637.db2.gz NGIHVVFHRCXDQJ-ZJWNCGCPSA-N 0 0 362.495 2.990 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ccnc(Cl)c2)cc1 ZINC000025975941 727864045 /nfs/dbraw/zinc/86/40/45/727864045.db2.gz ZWJPSOPZHZBHQO-UHFFFAOYSA-N 0 0 361.829 2.616 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)[nH]c2=O)cc1F ZINC000058971608 728117990 /nfs/dbraw/zinc/11/79/90/728117990.db2.gz PSFGEALRWUDHTE-UHFFFAOYSA-N 0 0 357.307 2.941 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000062575139 728133102 /nfs/dbraw/zinc/13/31/02/728133102.db2.gz CQXNKRJIXFXLJL-CQSZACIVSA-N 0 0 364.442 2.639 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1 ZINC000066702047 728176606 /nfs/dbraw/zinc/17/66/06/728176606.db2.gz RVCAQYGBIDQNGF-AWEZNQCLSA-N 0 0 359.392 2.950 20 10 FFCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCCCNC(C)=O ZINC000067944776 728185581 /nfs/dbraw/zinc/18/55/81/728185581.db2.gz UPPHUHRDZHTEIM-UHFFFAOYSA-N 0 0 361.467 2.960 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3cc(C)cc(F)c3)CC2)cc1 ZINC000080710433 728330708 /nfs/dbraw/zinc/33/07/08/728330708.db2.gz BUFJMEFJNYWELQ-UHFFFAOYSA-N 0 0 364.442 2.654 20 10 FFCDRN COc1ccc(N2CCN(CC[S@@](=O)c3ccccc3)CC2)cc1F ZINC000084866922 728426879 /nfs/dbraw/zinc/42/68/79/728426879.db2.gz OFWNSTLCPYPHPS-VWLOTQADSA-N 0 0 362.470 2.764 20 10 FFCDRN CCn1c(C)nn(CN2CCN(c3ccc(OC)c(F)c3)CC2)c1=S ZINC000084926070 728427523 /nfs/dbraw/zinc/42/75/23/728427523.db2.gz XIGKUXKOTMFQPX-UHFFFAOYSA-N 0 0 365.478 2.670 20 10 FFCDRN COc1ccc(N(C[C@@H]2CCCN(S(C)(=O)=O)C2)C(C)C)cc1F ZINC000085791698 728430102 /nfs/dbraw/zinc/43/01/02/728430102.db2.gz VKCDXPZZFAABJS-CQSZACIVSA-N 0 0 358.479 2.721 20 10 FFCDRN CCCC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCC1 ZINC000092433826 728467317 /nfs/dbraw/zinc/46/73/17/728467317.db2.gz WHDLITMPTQQOQZ-HNNXBMFYSA-N 0 0 354.472 2.852 20 10 FFCDRN CN(CCS(C)(=O)=O)Cc1c(O)ccc2cc(Br)ccc21 ZINC000102765699 728492261 /nfs/dbraw/zinc/49/22/61/728492261.db2.gz UTAPVGHSZAPWOD-UHFFFAOYSA-N 0 0 372.284 2.784 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H](C)O1 ZINC000111471977 728536433 /nfs/dbraw/zinc/53/64/33/728536433.db2.gz NSNYIYSTQQBJRK-CRAIPNDOSA-N 0 0 363.527 2.949 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000115592686 728566479 /nfs/dbraw/zinc/56/64/79/728566479.db2.gz AESHWIVWSBQCOH-UHFFFAOYSA-N 0 0 355.441 2.509 20 10 FFCDRN Cc1cc(C)nc(SCC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000116167034 728569904 /nfs/dbraw/zinc/56/99/04/728569904.db2.gz OUYRBNLNDCYENZ-UHFFFAOYSA-N 0 0 356.495 2.884 20 10 FFCDRN O=[N+]([O-])c1ccc(S(=O)(=O)NCCCSc2nccs2)s1 ZINC000117365152 728578117 /nfs/dbraw/zinc/57/81/17/728578117.db2.gz FWFKKTQZLMCJSW-UHFFFAOYSA-N 0 0 365.483 2.574 20 10 FFCDRN O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000119315838 728591669 /nfs/dbraw/zinc/59/16/69/728591669.db2.gz SIGGDDJRSFGVPW-MRXNPFEDSA-N 0 0 365.426 2.901 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccccc2Br)c1 ZINC000119843265 728601470 /nfs/dbraw/zinc/60/14/70/728601470.db2.gz HVATZBVHFRXNTJ-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1c[nH]c(=O)cc1C ZINC000121004612 728618862 /nfs/dbraw/zinc/61/88/62/728618862.db2.gz JIXDBJBTGLPGIN-UHFFFAOYSA-N 0 0 365.227 2.814 20 10 FFCDRN CN(Cc1nc(=O)c2c3c(sc2[nH]1)CCC3)c1ccc2c(c1)OCO2 ZINC000121263637 728623297 /nfs/dbraw/zinc/62/32/97/728623297.db2.gz WHFLDNABPAGYTB-UHFFFAOYSA-N 0 0 355.419 2.838 20 10 FFCDRN CCC(CC)NC(=O)[C@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000122109101 728643913 /nfs/dbraw/zinc/64/39/13/728643913.db2.gz YPCPPBZCEHCQQZ-AWEZNQCLSA-N 0 0 351.466 2.650 20 10 FFCDRN CN(C(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCSC1 ZINC000123084255 728654883 /nfs/dbraw/zinc/65/48/83/728654883.db2.gz DQRWKRQJHHNRDN-INIZCTEOSA-N 0 0 351.541 2.887 20 10 FFCDRN CS(=O)(=O)c1csc(C(=O)NCCCSc2nccs2)c1 ZINC000132350801 728724315 /nfs/dbraw/zinc/72/43/15/728724315.db2.gz SFPQNUABUZOJHI-UHFFFAOYSA-N 0 0 362.523 2.520 20 10 FFCDRN C[C@@H](O)CC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000133208940 728726461 /nfs/dbraw/zinc/72/64/61/728726461.db2.gz LHLCYUXJCIDOII-SSDOTTSWSA-N 0 0 353.054 2.778 20 10 FFCDRN CCN(CCS(C)(=O)=O)C(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000152137369 728748410 /nfs/dbraw/zinc/74/84/10/728748410.db2.gz JUCZJWILXHVKSC-UHFFFAOYSA-N 0 0 362.495 2.909 20 10 FFCDRN COc1cc(CN(CCS(C)(=O)=O)C2CC2)c(O)c(C(C)(C)C)c1 ZINC000164605775 728967195 /nfs/dbraw/zinc/96/71/95/728967195.db2.gz VVSLQPQQQSWJMN-UHFFFAOYSA-N 0 0 355.500 2.707 20 10 FFCDRN O=C(CNC(=O)c1cc2ccccc2[nH]1)NCCCSc1nccs1 ZINC000173388174 729045786 /nfs/dbraw/zinc/04/57/86/729045786.db2.gz POUFPFZHWFHHFJ-UHFFFAOYSA-N 0 0 374.491 2.653 20 10 FFCDRN CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(O)cc3F)cc21 ZINC000184620591 729330018 /nfs/dbraw/zinc/33/00/18/729330018.db2.gz QSODFVGLRODNMK-UHFFFAOYSA-N 0 0 350.371 2.562 20 10 FFCDRN COC(=O)c1coc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000186236100 729362455 /nfs/dbraw/zinc/36/24/55/729362455.db2.gz UNLKFMWQLUNRFV-UHFFFAOYSA-N 0 0 360.435 2.549 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCN(c2nc3ccccc3s2)CC1 ZINC000187055848 729372156 /nfs/dbraw/zinc/37/21/56/729372156.db2.gz LFWYXYBBDWCIOD-UHFFFAOYSA-N 0 0 355.419 2.670 20 10 FFCDRN COc1ccc(N2CCN(CCOCC(F)(F)C(F)F)CC2)cc1 ZINC000188601303 729389722 /nfs/dbraw/zinc/38/97/22/729389722.db2.gz YQCFKFPPOHQKIY-UHFFFAOYSA-N 0 0 350.356 2.734 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(NC(C)=O)c1 ZINC000189425615 729399128 /nfs/dbraw/zinc/39/91/28/729399128.db2.gz CARIQUXWRXMUBY-UHFFFAOYSA-N 0 0 352.387 2.853 20 10 FFCDRN CO[C@H](C)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000190629609 729409689 /nfs/dbraw/zinc/40/96/89/729409689.db2.gz UWMNYZNVWONTQF-OLZOCXBDSA-N 0 0 357.401 2.591 20 10 FFCDRN O=C(NCc1ccsc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000194438071 729510085 /nfs/dbraw/zinc/51/00/85/729510085.db2.gz SJYJHGCXTAWMBF-UHFFFAOYSA-N 0 0 363.458 2.848 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCC3(SC)CCC3)CC2)cc1F ZINC000195116992 729529406 /nfs/dbraw/zinc/52/94/06/729529406.db2.gz LATXPSISYUHFIC-UHFFFAOYSA-N 0 0 367.490 2.952 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 ZINC000237948281 729565264 /nfs/dbraw/zinc/56/52/64/729565264.db2.gz XLEMKKLZLHUNLW-CQSZACIVSA-N 0 0 357.841 2.634 20 10 FFCDRN Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccccc1C ZINC000248078355 729601691 /nfs/dbraw/zinc/60/16/91/729601691.db2.gz CFBXQFVXOSIQOX-IBGZPJMESA-N 0 0 360.479 2.710 20 10 FFCDRN CCN(CC)c1ccc(CN2CC[C@H](OC)C[C@@H]2C(=O)OC)cc1F ZINC000779143338 738439963 /nfs/dbraw/zinc/43/99/63/738439963.db2.gz GKPHZMCDGROOHN-MAUKXSAKSA-N 0 0 352.450 2.824 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cc2c(cc1Cl)NC(=O)CO2 ZINC000779497408 738468230 /nfs/dbraw/zinc/46/82/30/738468230.db2.gz FGJJFNQWHHPIBZ-RQOWECAXSA-N 0 0 360.753 2.734 20 10 FFCDRN Cc1ccc(C(=O)N[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000856507424 730343810 /nfs/dbraw/zinc/34/38/10/730343810.db2.gz YAMQOEDCNRTNLO-GOSISDBHSA-N 0 0 350.415 2.536 20 10 FFCDRN CCN(CCNC(=O)NCc1cc(C)ccc1O)C(=O)OC(C)(C)C ZINC000858193230 730419271 /nfs/dbraw/zinc/41/92/71/730419271.db2.gz ADGDEHBESSIAEC-UHFFFAOYSA-N 0 0 351.447 2.757 20 10 FFCDRN CCOC(=O)N[C@@H](CNC(=O)NCc1cc(C)ccc1O)CC(C)C ZINC000858276271 730421583 /nfs/dbraw/zinc/42/15/83/730421583.db2.gz MDNQEGROYXIEIX-OAHLLOKOSA-N 0 0 351.447 2.661 20 10 FFCDRN C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000858434721 730425680 /nfs/dbraw/zinc/42/56/80/730425680.db2.gz NOOHHDWGCLNIJS-UFBFGSQYSA-N 0 0 374.666 2.926 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)cc(Cl)c1[O-] ZINC000858523327 730428020 /nfs/dbraw/zinc/42/80/20/730428020.db2.gz PNJSGHWZMQYCJR-GXSJLCMTSA-N 0 0 363.683 2.789 20 10 FFCDRN CCC(F)(F)CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000858530506 730428228 /nfs/dbraw/zinc/42/82/28/730428228.db2.gz HADBWEAQRRFQQK-UHFFFAOYSA-N 0 0 363.355 2.646 20 10 FFCDRN Cc1cc(CNS(=O)(=O)C[C@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000859363012 730452023 /nfs/dbraw/zinc/45/20/23/730452023.db2.gz PPNVTGSTPZOURH-KRWDZBQOSA-N 0 0 362.495 2.940 20 10 FFCDRN Cc1cc(C)c2c(N)c(C(=O)OCCOC3CCOCC3)sc2n1 ZINC000859474634 730455846 /nfs/dbraw/zinc/45/58/46/730455846.db2.gz DHGREEGNZYFCBT-UHFFFAOYSA-N 0 0 350.440 2.848 20 10 FFCDRN Nc1ccc(NC(=O)NC[C@@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC000859697603 730463319 /nfs/dbraw/zinc/46/33/19/730463319.db2.gz JNVPTPFNSFAEKZ-QGZVFWFLSA-N 0 0 360.845 2.949 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(Cl)nn(C)c1Cl ZINC000859726931 730464261 /nfs/dbraw/zinc/46/42/61/730464261.db2.gz IURRDSLBADWHHT-UHFFFAOYSA-N 0 0 355.225 2.832 20 10 FFCDRN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cc(OC)ccc1O ZINC000860241315 730493156 /nfs/dbraw/zinc/49/31/56/730493156.db2.gz IKMFKNDKHDPXQY-LBPRGKRZSA-N 0 0 352.431 2.663 20 10 FFCDRN CCN(C(=O)OC(C)(C)C)[C@H](C)C(=O)NCc1cccc(OC)c1O ZINC000860241500 730493285 /nfs/dbraw/zinc/49/32/85/730493285.db2.gz 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/nfs/dbraw/zinc/30/37/30/732303730.db2.gz FIVLWXWGTGMUDZ-UHFFFAOYSA-N 0 0 370.421 2.647 20 10 FFCDRN [O-]c1c(C[NH2+]C[C@@H](O)c2cc(Cl)c3c(c2)OCCO3)ccc(F)c1F ZINC000877049558 732317133 /nfs/dbraw/zinc/31/71/33/732317133.db2.gz TTWJZTQZOQGVNX-CYBMUJFWSA-N 0 0 371.767 2.918 20 10 FFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNCc3nc(Cl)cs3)cc2)C1 ZINC000877147018 732328366 /nfs/dbraw/zinc/32/83/66/732328366.db2.gz YSPDQZVADQZHPY-CYBMUJFWSA-N 0 0 364.902 2.788 20 10 FFCDRN COc1ccc(OC)c([C@@H](O)[C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877833765 732443882 /nfs/dbraw/zinc/44/38/82/732443882.db2.gz YBPAOANVSVETIW-BTDLBPIBSA-N 0 0 353.365 2.899 20 10 FFCDRN CC(C)(C)S(=O)(=O)CCCN(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000878240204 732502730 /nfs/dbraw/zinc/50/27/30/732502730.db2.gz DZEMSBLGOHUARA-QGZVFWFLSA-N 0 0 369.527 2.977 20 10 FFCDRN C[C@H](NCc1nccn1CC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000878357986 732519481 /nfs/dbraw/zinc/51/94/81/732519481.db2.gz JSXPKABTSZFVOO-AWEZNQCLSA-N 0 0 350.413 2.836 20 10 FFCDRN Cn1c2ccc(OC[C@@H]3CCN(S(C)(=O)=O)C3)cc2c2c1CCCC2 ZINC000664104507 732537591 /nfs/dbraw/zinc/53/75/91/732537591.db2.gz JOFQLISWUQLGLA-CQSZACIVSA-N 0 0 362.495 2.717 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](OC(F)F)C1 ZINC000781376429 738621997 /nfs/dbraw/zinc/62/19/97/738621997.db2.gz XBKWCUTYJUFGIP-INIZCTEOSA-N 0 0 351.397 2.976 20 10 FFCDRN O=C(c1cc(C(F)F)n[nH]1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878781032 732592718 /nfs/dbraw/zinc/59/27/18/732592718.db2.gz SJIFEQQGYJJBKG-LBPRGKRZSA-N 0 0 351.353 2.874 20 10 FFCDRN Cn1nc2c(c1C(=O)NCc1c(O)ccc3c1CCCC3)CSCC2 ZINC000878985160 732626959 /nfs/dbraw/zinc/62/69/59/732626959.db2.gz FZVCVDWYSHGGKB-UHFFFAOYSA-N 0 0 357.479 2.724 20 10 FFCDRN C[C@@H](NC(=O)Nc1ccc(CCS(C)(=O)=O)cc1)c1ccccc1O ZINC000878995129 732628462 /nfs/dbraw/zinc/62/84/62/732628462.db2.gz KYZANMXCJNISMH-CYBMUJFWSA-N 0 0 362.451 2.862 20 10 FFCDRN COc1ccc(N2CCN(Cc3nnsc3Cl)CC2)c(OC)c1 ZINC000879463774 732706050 /nfs/dbraw/zinc/70/60/50/732706050.db2.gz PHSRLRIPGLWYPZ-UHFFFAOYSA-N 0 0 354.863 2.531 20 10 FFCDRN Cc1nn(C)c(NC(=O)NCc2ccc(N(C)C)cc2)c1Br ZINC000879697221 732752931 /nfs/dbraw/zinc/75/29/31/732752931.db2.gz YZUOJUNXKSJACH-UHFFFAOYSA-N 0 0 366.263 2.879 20 10 FFCDRN Cc1csc([C@@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)n1 ZINC000880007869 732817648 /nfs/dbraw/zinc/81/76/48/732817648.db2.gz NEVUVGIYWIUWTK-MRXNPFEDSA-N 0 0 358.511 2.623 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)c1 ZINC000781908234 738670915 /nfs/dbraw/zinc/67/09/15/738670915.db2.gz GPBOZRINUOPBML-CYBMUJFWSA-N 0 0 365.275 2.967 20 10 FFCDRN C[C@@H](NS(=O)(=O)C[C@]1(C)CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000881813235 733113681 /nfs/dbraw/zinc/11/36/81/733113681.db2.gz YERUXSBOUSBDGS-CJNGLKHVSA-N 0 0 374.453 2.549 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000881919134 733136751 /nfs/dbraw/zinc/13/67/51/733136751.db2.gz JZPCRGYDHHLNRD-ZJUUUORDSA-N 0 0 368.282 2.965 20 10 FFCDRN NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000883016161 733321170 /nfs/dbraw/zinc/32/11/70/733321170.db2.gz PJGFBCVDDFMFID-GZMMTYOYSA-N 0 0 361.667 2.942 20 10 FFCDRN CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883113654 733336345 /nfs/dbraw/zinc/33/63/45/733336345.db2.gz ZKCCNAPMPXXPMI-YPMHNXCESA-N 0 0 364.255 2.541 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC[C@@H](CF)C1 ZINC000883154635 733343087 /nfs/dbraw/zinc/34/30/87/733343087.db2.gz OQBGXWJVFJPQTD-HNNXBMFYSA-N 0 0 353.413 2.553 20 10 FFCDRN O=C(COC(=O)c1csc(Br)c1)c1ccc(O)c(O)c1 ZINC000782676853 738746873 /nfs/dbraw/zinc/74/68/73/738746873.db2.gz MTKKDVYROGFWNZ-UHFFFAOYSA-N 0 0 357.181 2.962 20 10 FFCDRN COC[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])[C@H]1CCCOC1 ZINC000886355506 733776544 /nfs/dbraw/zinc/77/65/44/733776544.db2.gz JPGZILVVPULBJV-HZMBPMFUSA-N 0 0 362.239 2.825 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(N2CCCS2(=O)=O)c1)c1c([O-])cccc1F ZINC000886589634 733806955 /nfs/dbraw/zinc/80/69/55/733806955.db2.gz ATLBZNBWLXDGIX-ZDUSSCGKSA-N 0 0 364.442 2.922 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1c([O-])cccc1F ZINC000886589767 733807002 /nfs/dbraw/zinc/80/70/02/733807002.db2.gz FBKFCESTMSEJCE-ZDUSSCGKSA-N 0 0 364.442 2.922 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnn(C)c1C(F)(F)F ZINC000682797990 734099949 /nfs/dbraw/zinc/09/99/49/734099949.db2.gz KPYMWAGZJPOXNS-UHFFFAOYSA-N 0 0 354.332 2.544 20 10 FFCDRN CCn1cc(Br)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783388011 738803227 /nfs/dbraw/zinc/80/32/27/738803227.db2.gz GRLVTBOKXJPVJU-UHFFFAOYSA-N 0 0 368.183 2.721 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)C1(n2cc(Br)cn2)CC1 ZINC000890763202 734337037 /nfs/dbraw/zinc/33/70/37/734337037.db2.gz RFEMJGOPLWBZIM-UHFFFAOYSA-N 0 0 370.634 2.810 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000890761755 734337216 /nfs/dbraw/zinc/33/72/16/734337216.db2.gz WQXBZPOYGPQFEY-HIFRSBDPSA-N 0 0 350.846 2.843 20 10 FFCDRN Cc1cc(CCNS(=O)(=O)C[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000725819720 734393040 /nfs/dbraw/zinc/39/30/40/734393040.db2.gz XOEGATWMGOMCQO-IBGZPJMESA-N 0 0 362.495 2.735 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N=S1(=O)CCOCC1 ZINC000891373737 734420879 /nfs/dbraw/zinc/42/08/79/734420879.db2.gz HBEYJEFOYBMGGO-UHFFFAOYSA-N 0 0 360.435 2.545 20 10 FFCDRN CCc1ccc2c(c1)CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000891383768 734422947 /nfs/dbraw/zinc/42/29/47/734422947.db2.gz ACLFAUNXAHZSGF-UHFFFAOYSA-N 0 0 360.435 2.529 20 10 FFCDRN NC(=O)c1ccc(NC(=S)NNc2cccc(Br)c2)cc1 ZINC000726453287 734425778 /nfs/dbraw/zinc/42/57/78/734425778.db2.gz ZEQXUSQLRQSVBU-UHFFFAOYSA-N 0 0 365.256 2.862 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)c3cccs3)CC2)cc1 ZINC000726600325 734436484 /nfs/dbraw/zinc/43/64/84/734436484.db2.gz FJBDWTFFHAAZHZ-UHFFFAOYSA-N 0 0 352.481 2.704 20 10 FFCDRN O=C(CC(F)(F)C(F)F)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000891514961 734439904 /nfs/dbraw/zinc/43/99/04/734439904.db2.gz FMRUPPNJEZGYMG-UHFFFAOYSA-N 0 0 370.293 2.708 20 10 FFCDRN S=C(NCCc1cccs1)NCc1ccc(N2CCOCC2)cc1 ZINC000727700564 734496843 /nfs/dbraw/zinc/49/68/43/734496843.db2.gz OECZVHHABZPFMM-UHFFFAOYSA-N 0 0 361.536 2.792 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC=C(Cl)C1 ZINC000892115822 734516988 /nfs/dbraw/zinc/51/69/88/734516988.db2.gz UKZOEHQCSRFOMK-UHFFFAOYSA-N 0 0 353.825 2.700 20 10 FFCDRN CCCCC(=O)N1CSC[C@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000728979271 734552932 /nfs/dbraw/zinc/55/29/32/734552932.db2.gz SRMYUYMKKZGZQW-WFASDCNBSA-N 0 0 366.483 2.670 20 10 FFCDRN O=C(NCCC(=O)N1CCCCCC1)NCc1cccc(Cl)c1O ZINC000892530902 734569866 /nfs/dbraw/zinc/56/98/66/734569866.db2.gz AYEZFIFEEYKFTB-UHFFFAOYSA-N 0 0 353.850 2.638 20 10 FFCDRN COC(=O)CSCCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000730772543 734649007 /nfs/dbraw/zinc/64/90/07/734649007.db2.gz INQMDIRWHSMHDB-UHFFFAOYSA-N 0 0 352.500 2.786 20 10 FFCDRN O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)C1=CC(=O)CS1 ZINC000731868708 734701989 /nfs/dbraw/zinc/70/19/89/734701989.db2.gz QMIQOKOLZIOGOO-OAHLLOKOSA-N 0 0 366.870 2.910 20 10 FFCDRN Cc1cc(NC(=O)CNC(=O)C2=CC(=O)CS2)ccc1Br ZINC000731872469 734702391 /nfs/dbraw/zinc/70/23/91/734702391.db2.gz MDZCXJAMFKQJKO-UHFFFAOYSA-N 0 0 369.240 2.893 20 10 FFCDRN CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)C3=CC(=O)CS3)ccc21 ZINC000731911934 734704946 /nfs/dbraw/zinc/70/49/46/734704946.db2.gz NVTZWSKRUYTNSZ-SNVBAGLBSA-N 0 0 359.403 2.791 20 10 FFCDRN O=C(NCCc1cccs1)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732278669 734729455 /nfs/dbraw/zinc/72/94/55/734729455.db2.gz RMPHMUPWJOQPPX-UHFFFAOYSA-N 0 0 364.492 2.726 20 10 FFCDRN Cc1ccc(C(=O)NC2CCN(C(=O)C3=CC(=O)CS3)CC2)s1 ZINC000732279316 734730132 /nfs/dbraw/zinc/73/01/32/734730132.db2.gz IWMNQGGVORQTDD-UHFFFAOYSA-N 0 0 350.465 2.858 20 10 FFCDRN CCOCCO[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894093847 734800425 /nfs/dbraw/zinc/80/04/25/734800425.db2.gz IUOLOBCYKGCUAF-ZDUSSCGKSA-N 0 0 362.239 2.921 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2O)[C@@]12CCCO2 ZINC000894191814 734815649 /nfs/dbraw/zinc/81/56/49/734815649.db2.gz DOLMGOMJOYDHBK-VBQJREDUSA-N 0 0 354.834 2.571 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000733876836 734855432 /nfs/dbraw/zinc/85/54/32/734855432.db2.gz TULBHXFWFKDXKX-HNNXBMFYSA-N 0 0 364.442 2.540 20 10 FFCDRN COc1cc(N(C)Cc2c3c(nn2C)CCSC3)cc(OC)c1OC ZINC000894429574 734856891 /nfs/dbraw/zinc/85/68/91/734856891.db2.gz KZQDJNWGZCAGNF-UHFFFAOYSA-N 0 0 363.483 2.872 20 10 FFCDRN CC(=O)NCc1ccc(C(=O)NCCCSc2nccs2)s1 ZINC000733971712 734864555 /nfs/dbraw/zinc/86/45/55/734864555.db2.gz CITSJQTVMLPCPC-UHFFFAOYSA-N 0 0 355.510 2.753 20 10 FFCDRN Cn1nc2c(c1C[NH2+]Cc1cccc(Br)c1[O-])CSCC2 ZINC000894571750 734881628 /nfs/dbraw/zinc/88/16/28/734881628.db2.gz WWNFPSCBFQDKON-UHFFFAOYSA-N 0 0 368.300 2.967 20 10 FFCDRN Cc1sccc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894593631 734884038 /nfs/dbraw/zinc/88/40/38/734884038.db2.gz UUHSANSEIPNXAO-UHFFFAOYSA-N 0 0 357.479 2.688 20 10 FFCDRN CNS(=O)(=O)c1ccc(C)c(NCc2cc(C)cc(OC)c2O)c1 ZINC000894738389 734908257 /nfs/dbraw/zinc/90/82/57/734908257.db2.gz TWLSZYLJWGKGHI-UHFFFAOYSA-N 0 0 350.440 2.538 20 10 FFCDRN CC(C)OC[C@@H](CO)[N@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC000894783574 734916008 /nfs/dbraw/zinc/91/60/08/734916008.db2.gz VYGSIBVEAMILAS-GFCCVEGCSA-N 0 0 350.228 2.512 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cc1ccn(CC(F)(F)F)n1 ZINC000895009817 734951332 /nfs/dbraw/zinc/95/13/32/734951332.db2.gz KIZILEPRDDXOOJ-UHFFFAOYSA-N 0 0 354.376 2.679 20 10 FFCDRN COC(=O)[C@@H](CC1CCOCC1)NCc1cc(Br)ccc1O ZINC000895591917 735028675 /nfs/dbraw/zinc/02/86/75/735028675.db2.gz QYXWIHKJEXHHGO-CQSZACIVSA-N 0 0 372.259 2.603 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCO[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000739897435 735061640 /nfs/dbraw/zinc/06/16/40/735061640.db2.gz IOAUPSSVTBFRGI-MASHWEEQSA-N 0 0 360.288 2.549 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@@H]1CCS(=O)(=O)C1 ZINC000740846849 735091780 /nfs/dbraw/zinc/09/17/80/735091780.db2.gz KXOWZVVMYUBZFG-AWEZNQCLSA-N 0 0 366.508 2.662 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000896281220 735131671 /nfs/dbraw/zinc/13/16/71/735131671.db2.gz UIHUBZQJDMVXLF-MWLCHTKSSA-N 0 0 350.293 2.509 20 10 FFCDRN CC(C)(C)N1CCC[C@@H](C(=O)NCCCSc2nccs2)C1=O ZINC000896335459 735140822 /nfs/dbraw/zinc/14/08/22/735140822.db2.gz VKZINBSXVBDOIK-LBPRGKRZSA-N 0 0 355.529 2.779 20 10 FFCDRN CN(C)Cc1csc(CNC(=O)NCc2cccc(Cl)c2O)n1 ZINC000896594976 735176288 /nfs/dbraw/zinc/17/62/88/735176288.db2.gz MJFFWIPTPYRANL-UHFFFAOYSA-N 0 0 354.863 2.563 20 10 FFCDRN CC1([C@H]2CCCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)OCCO1 ZINC000897376035 735226865 /nfs/dbraw/zinc/22/68/65/735226865.db2.gz LCLFETHWUMPXEN-LBPRGKRZSA-N 0 0 363.435 2.928 20 10 FFCDRN CC(C)CS(=O)(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000742334542 735229763 /nfs/dbraw/zinc/22/97/63/735229763.db2.gz PEVRMUKYCIOKQR-CYBMUJFWSA-N 0 0 362.442 2.832 20 10 FFCDRN Clc1cncc(-c2cn(Cc3ccc(N4CCOCC4)cc3)nn2)c1 ZINC000900601365 735667493 /nfs/dbraw/zinc/66/74/93/735667493.db2.gz OOSCNLQVYGFSOI-UHFFFAOYSA-N 0 0 355.829 2.878 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(C[C@H]3CCCO3)CC2)c1O ZINC000750032494 735767441 /nfs/dbraw/zinc/76/74/41/735767441.db2.gz ARZGXDDQYLZECR-MRXNPFEDSA-N 0 0 352.862 2.545 20 10 FFCDRN CCC[C@H](O)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000750233568 735777861 /nfs/dbraw/zinc/77/78/61/735777861.db2.gz NZXHJHBXMJNLEO-FMKPAKJESA-N 0 0 352.450 2.607 20 10 FFCDRN CN(C)c1ccc(CNc2cccc(S(=O)(=O)N(C)C)c2)cc1F ZINC000788451428 739245905 /nfs/dbraw/zinc/24/59/05/739245905.db2.gz DNZZLOOYANXKPF-UHFFFAOYSA-N 0 0 351.447 2.754 20 10 FFCDRN C[C@H](NC(=O)N1CCSC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000753107965 736038673 /nfs/dbraw/zinc/03/86/73/736038673.db2.gz OKFVXQXQMIMBKW-HOTGVXAUSA-N 0 0 363.527 2.979 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1c([O-])cccc1F ZINC000903435048 736094530 /nfs/dbraw/zinc/09/45/30/736094530.db2.gz BRVTUNXASOEDPL-NXEZZACHSA-N 0 0 352.797 2.610 20 10 FFCDRN CC[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(F)cc1[O-] ZINC000903435546 736094565 /nfs/dbraw/zinc/09/45/65/736094565.db2.gz RWQSSDRDPDRQTJ-YPMHNXCESA-N 0 0 366.824 3.000 20 10 FFCDRN CC(C)n1cnc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000754000758 736114804 /nfs/dbraw/zinc/11/48/04/736114804.db2.gz YFLAMDQTVXVRSW-UHFFFAOYSA-N 0 0 362.499 2.883 20 10 FFCDRN COc1cccc2c1CCCCN2S(=O)(=O)c1cccc2nonc21 ZINC000754041265 736118746 /nfs/dbraw/zinc/11/87/46/736118746.db2.gz LURYUGZFGJNGND-UHFFFAOYSA-N 0 0 359.407 2.763 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CNC(=O)OC(C)(C)C)c1 ZINC000756072374 736304649 /nfs/dbraw/zinc/30/46/49/736304649.db2.gz QUKQBCVJQNIUHO-NWDGAFQWSA-N 0 0 352.431 2.743 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1cccc2ccncc21 ZINC000756195077 736314292 /nfs/dbraw/zinc/31/42/92/736314292.db2.gz ICUZMFKWWMWPCI-UHFFFAOYSA-N 0 0 372.475 2.928 20 10 FFCDRN C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756475045 736334457 /nfs/dbraw/zinc/33/44/57/736334457.db2.gz HQHLYSGBWPJGBZ-LURJTMIESA-N 0 0 373.144 2.623 20 10 FFCDRN 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Cc1cc(CN2CCCS(=O)(=O)C[C@@H]2C)ccc1N1CCCCC1 ZINC000933309055 739602752 /nfs/dbraw/zinc/60/27/52/739602752.db2.gz QNHZXOSLJZFNOS-KRWDZBQOSA-N 0 0 350.528 2.994 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCOc2c(Br)cccc2C1 ZINC000792529017 739680589 /nfs/dbraw/zinc/68/05/89/739680589.db2.gz RAJFTZMJHLBGOV-UHFFFAOYSA-N 0 0 364.195 2.895 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1 ZINC000793232579 739755776 /nfs/dbraw/zinc/75/57/76/739755776.db2.gz YUUXIWJIHBVGPC-MLGOLLRUSA-N 0 0 356.260 2.843 20 10 FFCDRN CC[C@@H](C)[C@@H](OC)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000793771812 739812374 /nfs/dbraw/zinc/81/23/74/739812374.db2.gz IJTAJDLVIMGCPH-BDJLRTHQSA-N 0 0 357.834 2.608 20 10 FFCDRN COc1ccc(CNC(=O)[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000794391642 739886305 /nfs/dbraw/zinc/88/63/05/739886305.db2.gz ZMQXEODYTDGTJU-VXGBXAGGSA-N 0 0 352.431 2.566 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1cscc1Br ZINC000794698736 739920590 /nfs/dbraw/zinc/92/05/90/739920590.db2.gz 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ZINC000796402922 740140940 /nfs/dbraw/zinc/14/09/40/740140940.db2.gz NGRVDSOBGQIIOD-UHFFFAOYSA-N 0 0 363.483 2.624 20 10 FFCDRN CCOc1ccc(CNc2cc(S(=O)(=O)NC)ccc2C)c(O)c1 ZINC000796431823 740142589 /nfs/dbraw/zinc/14/25/89/740142589.db2.gz SDCLVDYOFDANHL-UHFFFAOYSA-N 0 0 350.440 2.620 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ncccc2Cl)cc1 ZINC000796568650 740155860 /nfs/dbraw/zinc/15/58/60/740155860.db2.gz YQYAWGWCDOOJTP-UHFFFAOYSA-N 0 0 361.829 2.616 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(C[S@@](C)=O)cc2)c1 ZINC000797130471 740215940 /nfs/dbraw/zinc/21/59/40/740215940.db2.gz AESMLJCXBIZAKP-ZJWNCGCPSA-N 0 0 361.463 2.908 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c(O)c1 ZINC000797617392 740260021 /nfs/dbraw/zinc/26/00/21/740260021.db2.gz CODNCGMXRFZITE-UHFFFAOYSA-N 0 0 357.288 2.842 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc([S@](C)=O)c(F)c2)c(O)c1 ZINC000797630553 740260528 /nfs/dbraw/zinc/26/05/28/740260528.db2.gz GOQPXUHJBAGNLN-DEOSSOPVSA-N 0 0 352.387 2.599 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cc(F)c(OC)cc2OC)c(O)c1 ZINC000797633982 740260639 /nfs/dbraw/zinc/26/06/39/740260639.db2.gz NFYOQTWZENQTEP-UHFFFAOYSA-N 0 0 350.346 2.879 20 10 FFCDRN CCn1cc([C@@H]2C[S@](=O)CCN2C(=O)c2ccccc2SC)cn1 ZINC000798001929 740298442 /nfs/dbraw/zinc/29/84/42/740298442.db2.gz YHAXXRDTXJGNDV-IZHWHUGBSA-N 0 0 363.508 2.571 20 10 FFCDRN COCC[C@@H](CO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000799088133 740387056 /nfs/dbraw/zinc/38/70/56/740387056.db2.gz VMZUEBAFOKIVSU-HNNXBMFYSA-N 0 0 350.846 2.875 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC2([S@](C)=O)CC2)cc1 ZINC000799404136 740416539 /nfs/dbraw/zinc/41/65/39/740416539.db2.gz SVAUJNJGCMCOJW-DEOSSOPVSA-N 0 0 351.516 2.585 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NCC[S@](C)=O)cc2Cl)C1 ZINC000799929702 740465011 /nfs/dbraw/zinc/46/50/11/740465011.db2.gz AVRXTSPBJASPQY-RZFZLAGVSA-N 0 0 371.934 2.754 20 10 FFCDRN CC[S@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000803479305 740803225 /nfs/dbraw/zinc/80/32/25/740803225.db2.gz 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CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCCCS1 ZINC000809170624 741290339 /nfs/dbraw/zinc/29/03/39/741290339.db2.gz QDBKNUBRDIQDKP-INIZCTEOSA-N 0 0 364.511 2.923 20 10 FFCDRN C[C@H]1COCC[C@@H]1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000809388877 741304668 /nfs/dbraw/zinc/30/46/68/741304668.db2.gz GPGHWXJBARPNJB-LPHOPBHVSA-N 0 0 366.527 2.864 20 10 FFCDRN Cc1ccc(NCc2cc(F)ccc2O)cc1S(=O)(=O)NC1CC1 ZINC000809684105 741331178 /nfs/dbraw/zinc/33/11/78/741331178.db2.gz NUBXYUUJVFXETA-UHFFFAOYSA-N 0 0 350.415 2.893 20 10 FFCDRN COc1cccc(CNc2ccc(C(N)=O)cc2OCC(F)F)c1O ZINC000811515867 741532687 /nfs/dbraw/zinc/53/26/87/741532687.db2.gz LCOGTTKDKAWZSV-UHFFFAOYSA-N 0 0 352.337 2.756 20 10 FFCDRN COC(=O)c1cc(/C=C2/C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cn1C ZINC000811688398 741548376 /nfs/dbraw/zinc/54/83/76/741548376.db2.gz PGOZRGVVXLREOK-XCVCLJGOSA-N 0 0 361.741 2.866 20 10 FFCDRN CCn1cc(N2C(=O)/C(=C\c3cn(C)nc3C(F)F)SC2=S)cn1 ZINC000812219920 741597449 /nfs/dbraw/zinc/59/74/49/741597449.db2.gz SXUOVZGCTSPULU-ONNFQVAWSA-N 0 0 369.422 2.980 20 10 FFCDRN COC(=O)[C@H](CCSC)OC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000814029372 741786455 /nfs/dbraw/zinc/78/64/55/741786455.db2.gz TVNKAVMKGZLCIV-HNNXBMFYSA-N 0 0 362.451 2.941 20 10 FFCDRN O=S(=O)(c1ccc(Cl)c2nonc21)N1CCc2cccc(F)c21 ZINC000814385144 741817274 /nfs/dbraw/zinc/81/72/74/741817274.db2.gz CAMYEDCQYLGVKY-UHFFFAOYSA-N 0 0 353.762 2.767 20 10 FFCDRN O=S(=O)(c1ccc(Cl)c2nonc21)N1CCOc2ccc(F)cc21 ZINC000814387096 741817565 /nfs/dbraw/zinc/81/75/65/741817565.db2.gz XDIKUNNLJNJAEX-UHFFFAOYSA-N 0 0 369.761 2.603 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSc3ccncc3C)CC2)cc1 ZINC000814805535 741867084 /nfs/dbraw/zinc/86/70/84/741867084.db2.gz IIGVEFVVADITIS-UHFFFAOYSA-N 0 0 357.479 2.840 20 10 FFCDRN CN(C/C=C/C(=O)NCc1c(O)ccc2c1CCCC2)CC(F)(F)F ZINC000815836212 741964573 /nfs/dbraw/zinc/96/45/73/741964573.db2.gz VAECUYOQMZTAPV-QPJJXVBHSA-N 0 0 356.388 2.938 20 10 FFCDRN Cn1cc(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(Cl)n1 ZINC000815860521 741966845 /nfs/dbraw/zinc/96/68/45/741966845.db2.gz PBUAPIVWQQZQPK-OAHLLOKOSA-N 0 0 363.845 2.529 20 10 FFCDRN C[N@H+](Cc1cc(Cl)c(F)cc1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000816511307 742036998 /nfs/dbraw/zinc/03/69/98/742036998.db2.gz TZYOZVIPKXVIAR-LLVKDONJSA-N 0 0 354.731 2.780 20 10 FFCDRN CCOC(=O)[C@@H](F)C1CN(Cc2cc(C)cc(Br)c2O)C1 ZINC000816635030 742049333 /nfs/dbraw/zinc/04/93/33/742049333.db2.gz AGVNJQDYGAUFNP-ZDUSSCGKSA-N 0 0 360.223 2.796 20 10 FFCDRN COC[C@H](C)OC[C@@H](O)CN1C[C@H](C(C)C)Cc2cc(OC)ccc21 ZINC000817298818 742120681 /nfs/dbraw/zinc/12/06/81/742120681.db2.gz PPQLXJODPRQZJH-JQHSSLGASA-N 0 0 351.487 2.742 20 10 FFCDRN COC(=O)c1ccc(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)s1 ZINC000817804759 742215134 /nfs/dbraw/zinc/21/51/34/742215134.db2.gz ULVWZPFVXJYMDG-JTQLQIEISA-N 0 0 364.423 2.809 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)NC[C@@H](O)C3CCCCC3)cs2)cc1 ZINC000817920712 742222384 /nfs/dbraw/zinc/22/23/84/742222384.db2.gz ULTRNGIFKNDYJS-QGZVFWFLSA-N 0 0 359.495 2.987 20 10 FFCDRN Cc1nn(C)cc1[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817924155 742222428 /nfs/dbraw/zinc/22/24/28/742222428.db2.gz DYIWIDHDKPJMHN-NSHDSACASA-N 0 0 355.467 2.849 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3c(C)nn(C)c3Cl)C2)cc1 ZINC000819580546 742410941 /nfs/dbraw/zinc/41/09/41/742410941.db2.gz LAWABPLRTXPQQW-ZDUSSCGKSA-N 0 0 362.861 2.647 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)c3cc(C)oc3C)C2)cc1 ZINC000819887004 742439508 /nfs/dbraw/zinc/43/95/08/742439508.db2.gz GJCBVUBDBOERHX-OAHLLOKOSA-N 0 0 364.467 2.710 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](n2ccnc2)C(F)(F)F)c1 ZINC000821064899 742582823 /nfs/dbraw/zinc/58/28/23/742582823.db2.gz INSRADCCFPTXKA-HZMBPMFUSA-N 0 0 357.332 2.968 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC12CCSCC2 ZINC000822614385 742759508 /nfs/dbraw/zinc/75/95/08/742759508.db2.gz SSTKFALBXXETOX-HNNXBMFYSA-N 0 0 364.486 2.812 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3scnc3C)C2)cc1 ZINC000822956949 742809056 /nfs/dbraw/zinc/80/90/56/742809056.db2.gz RXHDYNOROGMASP-AWEZNQCLSA-N 0 0 360.483 2.786 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCC3CCSCC3)C2)cc1 ZINC000823725912 742969311 /nfs/dbraw/zinc/96/93/11/742969311.db2.gz KJKGJCVNIUNXKY-INIZCTEOSA-N 0 0 363.527 2.964 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](OC(=O)N(C)C)C2)c1 ZINC000824576819 743110636 /nfs/dbraw/zinc/11/06/36/743110636.db2.gz UMYBXVOPXJSQFD-GFCCVEGCSA-N 0 0 357.248 2.736 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)ccc1[N+](=O)[O-] ZINC000824696561 743129586 /nfs/dbraw/zinc/12/95/86/743129586.db2.gz PCLNFUARKIAWLH-IIAWOOMASA-N 0 0 350.415 2.825 20 10 FFCDRN Cc1cc(Br)cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1O ZINC000825200330 743227089 /nfs/dbraw/zinc/22/70/89/743227089.db2.gz CWSDNZUWVMMDKQ-ZIAGYGMSSA-N 0 0 374.300 2.615 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3ccc(Cl)nc3N)CC2)cc1 ZINC000825425925 743269486 /nfs/dbraw/zinc/26/94/86/743269486.db2.gz OZGCLZZTBLDRRU-UHFFFAOYSA-N 0 0 360.845 2.725 20 10 FFCDRN Cc1cc(O)c(CN2CCc3ccc(S(N)(=O)=O)cc32)cc1Cl ZINC000825537445 743289946 /nfs/dbraw/zinc/28/99/46/743289946.db2.gz XLMSUEALLLHDEO-UHFFFAOYSA-N 0 0 352.843 2.564 20 10 FFCDRN Cc1cc(O)c(CNc2cccc(CN3CCNC(=O)C3)c2)cc1Cl ZINC000825956126 743348599 /nfs/dbraw/zinc/34/85/99/743348599.db2.gz XGXOBOVSSNCXBT-UHFFFAOYSA-N 0 0 359.857 2.898 20 10 FFCDRN CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000826938266 743473898 /nfs/dbraw/zinc/47/38/98/743473898.db2.gz VCKJYJUJLHEZTR-NSHDSACASA-N 0 0 353.390 2.821 20 10 FFCDRN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccsn1 ZINC000827095672 743505354 /nfs/dbraw/zinc/50/53/54/743505354.db2.gz JYDNGPGXABTMNL-ZDUSSCGKSA-N 0 0 351.859 2.897 20 10 FFCDRN COC(=O)c1csc(CN2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000827468042 743583115 /nfs/dbraw/zinc/58/31/15/743583115.db2.gz JYWJGLSEFJHDBN-UHFFFAOYSA-N 0 0 361.467 2.651 20 10 FFCDRN C[S@](=O)CCN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000827777861 744975534 /nfs/dbraw/zinc/97/55/34/744975534.db2.gz JHVLGNYDOPYFFO-DEOSSOPVSA-N 0 0 352.500 2.842 20 10 FFCDRN Cc1cc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)ccc1N1CCCCC1 ZINC000827859442 744993088 /nfs/dbraw/zinc/99/30/88/744993088.db2.gz LDWQFNDLHZYZTC-SJORKVTESA-N 0 0 350.528 2.993 20 10 FFCDRN C[C@H](NC(=O)[C@H]1CSCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000827969519 745008752 /nfs/dbraw/zinc/00/87/52/745008752.db2.gz OGMGUECLZGWKKQ-WCQYABFASA-N 0 0 352.456 2.879 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@H]1SC ZINC000828139350 745035504 /nfs/dbraw/zinc/03/55/04/745035504.db2.gz RBXYIKJTUYGFEA-ZACQAIPSSA-N 0 0 351.516 2.803 20 10 FFCDRN C[C@@H]1SCC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000828524906 745080771 /nfs/dbraw/zinc/08/07/71/745080771.db2.gz HPBDBXBGAIWEKJ-BPUTZDHNSA-N 0 0 350.484 2.977 20 10 FFCDRN C[C@H](NC(=O)C1(n2cc(Br)cn2)CC1)c1ccccc1O ZINC000828539310 745082607 /nfs/dbraw/zinc/08/26/07/745082607.db2.gz LAXXSBAHFPTWDZ-JTQLQIEISA-N 0 0 350.216 2.718 20 10 FFCDRN CC1=NO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000829026383 745156832 /nfs/dbraw/zinc/15/68/32/745156832.db2.gz JFUBCYWTQRBCER-DOMZBBRYSA-N 0 0 353.369 2.538 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)s1 ZINC000829262404 745185863 /nfs/dbraw/zinc/18/58/63/745185863.db2.gz CSMFUJIHIQHUNB-UHFFFAOYSA-N 0 0 352.406 2.917 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)[C@H]2CCO[C@H](C)C2)cc1 ZINC000829872229 745273024 /nfs/dbraw/zinc/27/30/24/745273024.db2.gz MLBWPYABRXXYEI-QAPCUYQASA-N 0 0 354.516 2.862 20 10 FFCDRN O=S(=O)(CCC1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000830167338 745317013 /nfs/dbraw/zinc/31/70/13/745317013.db2.gz KZQVLQTWRKZIMI-UHFFFAOYSA-N 0 0 366.527 2.913 20 10 FFCDRN C[C@H](NS(=O)(=O)CC1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000830200239 745322345 /nfs/dbraw/zinc/32/23/45/745322345.db2.gz AFISZGCYSSKKLO-ZDUSSCGKSA-N 0 0 374.453 2.549 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000830535917 745377317 /nfs/dbraw/zinc/37/73/17/745377317.db2.gz XXZVDGPIEJYCCP-IBGZPJMESA-N 0 0 362.495 2.868 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C)c1 ZINC000830540007 745377694 /nfs/dbraw/zinc/37/76/94/745377694.db2.gz COJRMSOETJOHPZ-NEPJUHHUSA-N 0 0 352.431 2.833 20 10 FFCDRN C[C@]1(C2CCCCC2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000831201963 745497584 /nfs/dbraw/zinc/49/75/84/745497584.db2.gz LTZGOHYUHWCJLA-GOSISDBHSA-N 0 0 366.483 2.949 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCS(C)(=O)=O ZINC000831706935 745572887 /nfs/dbraw/zinc/57/28/87/745572887.db2.gz PVDNERMUCPCCHH-OAHLLOKOSA-N 0 0 361.463 2.917 20 10 FFCDRN CONC(=O)C1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000831993566 745615668 /nfs/dbraw/zinc/61/56/68/745615668.db2.gz WAYIZXMBTUXQCO-UHFFFAOYSA-N 0 0 361.467 2.685 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1conc1Cc1ccccc1 ZINC000834412831 745833640 /nfs/dbraw/zinc/83/36/40/745833640.db2.gz SZADPFPHMIIISA-LFIBNONCSA-N 0 0 355.419 2.568 20 10 FFCDRN COc1ccccc1NC(=O)[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000834604084 745865965 /nfs/dbraw/zinc/86/59/65/745865965.db2.gz NDLZAQCRBRGGCF-LBPRGKRZSA-N 0 0 360.435 2.953 20 10 FFCDRN CC[C@@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000834891153 745920739 /nfs/dbraw/zinc/92/07/39/745920739.db2.gz QICWRNQPBCKICU-OAHLLOKOSA-N 0 0 361.891 2.680 20 10 FFCDRN CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000835066854 745943378 /nfs/dbraw/zinc/94/33/78/745943378.db2.gz CYLRKNSXUWSIOD-LLVKDONJSA-N 0 0 374.840 2.910 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NOC3CCC3)cc2F)C[C@H](C)O1 ZINC000836240311 746172404 /nfs/dbraw/zinc/17/24/04/746172404.db2.gz DTOCKYPPKUKLOQ-BETUJISGSA-N 0 0 351.422 2.723 20 10 FFCDRN O=C(NCCC[C@@H]1CCOC1)NCc1ccc(N2CCSCC2)cc1 ZINC000836243114 746173291 /nfs/dbraw/zinc/17/32/91/746173291.db2.gz UGMNIWZSHDGMAX-QGZVFWFLSA-N 0 0 363.527 2.856 20 10 FFCDRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCC[C@@H](C)C1 ZINC000837155570 746380739 /nfs/dbraw/zinc/38/07/39/746380739.db2.gz LZZVOZQPETUSOB-FRRDWIJNSA-N 0 0 354.472 2.708 20 10 FFCDRN CO[C@@H](C)C(=O)OCC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000837454491 746449788 /nfs/dbraw/zinc/44/97/88/746449788.db2.gz JWCYNXMMSQIEFT-LBPRGKRZSA-N 0 0 350.802 2.903 20 10 FFCDRN CN(CCNC(=O)OC(C)(C)C)C(=O)NCCCSc1nccs1 ZINC000838513842 746655645 /nfs/dbraw/zinc/65/56/45/746655645.db2.gz LCFRZPVXECWQHQ-UHFFFAOYSA-N 0 0 374.532 2.791 20 10 FFCDRN C[C@@H](NC(=O)N1CC[S@@](=O)C(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC000838557831 746665156 /nfs/dbraw/zinc/66/51/56/746665156.db2.gz CIZSGNOPVUWDGH-JBEBIEQOSA-N 0 0 351.516 2.756 20 10 FFCDRN CC1(C)CC[C@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838592971 746672827 /nfs/dbraw/zinc/67/28/27/746672827.db2.gz YMUISURZEZEKHH-OAHLLOKOSA-N 0 0 353.413 2.789 20 10 FFCDRN CC1=CCCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838740147 746704084 /nfs/dbraw/zinc/70/40/84/746704084.db2.gz STOQKCKEKSFHEG-UHFFFAOYSA-N 0 0 351.397 2.663 20 10 FFCDRN C[C@H]1CC[C@H](C)N1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838746156 746705402 /nfs/dbraw/zinc/70/54/02/746705402.db2.gz FPKFZBVVPIHNJX-STQMWFEESA-N 0 0 353.413 2.884 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000838747704 746705925 /nfs/dbraw/zinc/70/59/25/746705925.db2.gz VZFXAMJZPDGEAM-CHWSQXEVSA-N 0 0 353.413 2.599 20 10 FFCDRN COC(=O)CN(CCn1cc(Cl)cn1)Cc1cc(Cl)ccc1O ZINC000838895611 746732159 /nfs/dbraw/zinc/73/21/59/746732159.db2.gz POPZUNPQRVMJIJ-UHFFFAOYSA-N 0 0 358.225 2.571 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCS[C@H](C(C)C)C1 ZINC000839273424 746807202 /nfs/dbraw/zinc/80/72/02/746807202.db2.gz ROAKPVPZCCODRI-KRWDZBQOSA-N 0 0 364.511 2.731 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCS(=O)(=O)CC(C)C ZINC000839914786 746960252 /nfs/dbraw/zinc/96/02/52/746960252.db2.gz BSVPQGKRHHPLHF-MRXNPFEDSA-N 0 0 368.543 2.569 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CNC(=O)c1ccsc1 ZINC000839919923 746960688 /nfs/dbraw/zinc/96/06/88/746960688.db2.gz XFUWHGMHHPNHFJ-CQSZACIVSA-N 0 0 359.495 2.600 20 10 FFCDRN CCCCCS(=O)(=O)CC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919840 746960838 /nfs/dbraw/zinc/96/08/38/746960838.db2.gz VKBIYJRCBRZYRL-INIZCTEOSA-N 0 0 368.543 2.713 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CS1 ZINC000840259667 747050351 /nfs/dbraw/zinc/05/03/51/747050351.db2.gz ZMNUDFUICUYRBS-ZFWWWQNUSA-N 0 0 351.541 2.933 20 10 FFCDRN C[C@@H](C(=O)NCc1cc(Br)ccc1O)C(=O)OC(C)(C)C ZINC000840456082 747097668 /nfs/dbraw/zinc/09/76/68/747097668.db2.gz ITUUSFRNGSOSLJ-VIFPVBQESA-N 0 0 358.232 2.749 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CCOCC(F)(F)C1 ZINC000840482807 747104229 /nfs/dbraw/zinc/10/42/29/747104229.db2.gz FXLYWYMVIOEMLY-CQSZACIVSA-N 0 0 355.429 2.669 20 10 FFCDRN CCn1ncc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)n1 ZINC000840730835 747167650 /nfs/dbraw/zinc/16/76/50/747167650.db2.gz IMSGFCJMXXCCPP-NTEUORMPSA-N 0 0 359.480 2.770 20 10 FFCDRN CC[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1ccc(F)cc1[O-] ZINC000840799803 747186923 /nfs/dbraw/zinc/18/69/23/747186923.db2.gz WQCHPHZGRRRNKH-DOTOQJQBSA-N 0 0 353.434 2.988 20 10 FFCDRN COc1c(O)c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000840997732 747253048 /nfs/dbraw/zinc/25/30/48/747253048.db2.gz HXUYOTRDDCLSEE-SUHUHFCYSA-N 0 0 350.371 2.527 20 10 FFCDRN Cc1nn(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C(F)F ZINC000841515693 747379106 /nfs/dbraw/zinc/37/91/06/747379106.db2.gz MXDKYNCCCLFDSU-JTQLQIEISA-N 0 0 372.441 2.772 20 10 FFCDRN Cc1ncc(S(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000841568642 747405228 /nfs/dbraw/zinc/40/52/28/747405228.db2.gz DKUHPGZGBJLQAM-GFCCVEGCSA-N 0 0 353.513 2.735 20 10 FFCDRN C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1ccc(Cl)cc1[O-] ZINC000841744650 747447519 /nfs/dbraw/zinc/44/75/19/747447519.db2.gz JPZZVXVAXKKTSV-LLVKDONJSA-N 0 0 354.859 2.586 20 10 FFCDRN C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(Cl)cc1[O-] ZINC000841753249 747449861 /nfs/dbraw/zinc/44/98/61/747449861.db2.gz FTAYNNYFKNXHKF-OHRKKDJYSA-N 0 0 365.905 2.780 20 10 FFCDRN C[C@@](O)(C1CCN(C(=O)NCCc2ccc(N)cc2)CC1)C(F)(F)F ZINC000841958535 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CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845028066 748163902 /nfs/dbraw/zinc/16/39/02/748163902.db2.gz SPUIKXXKMNSZBA-CSTKLKAISA-N 0 0 358.891 2.925 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CCCSC2)cc1 ZINC000845199881 748203644 /nfs/dbraw/zinc/20/36/44/748203644.db2.gz WGGHNQKTDIRWTP-OAHLLOKOSA-N 0 0 351.516 2.916 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCc3cc(Cl)ccc3O)[C@H]2C1 ZINC000846476460 748489015 /nfs/dbraw/zinc/48/90/15/748489015.db2.gz MQHGWWQJHLSKSR-NHAGDIPZSA-N 0 0 366.845 2.775 20 10 FFCDRN COc1cc(C[N@@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c(O)cc1C ZINC000848501741 748942727 /nfs/dbraw/zinc/94/27/27/748942727.db2.gz DXAXXZZNJLXKHH-DGCLKSJQSA-N 0 0 360.376 2.741 20 10 FFCDRN COc1cc(Br)cc([C@@H](C)N[C@@H](C)c2ncnn2C)c1O ZINC000848548275 748956511 /nfs/dbraw/zinc/95/65/11/748956511.db2.gz YXDSNGDITYCMTE-BDAKNGLRSA-N 0 0 355.236 2.704 20 10 FFCDRN COc1cc(Br)cc([C@H](C)N[C@@H](C)c2ncnn2C)c1O ZINC000848548305 748956769 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/nfs/dbraw/zinc/63/34/46/980633446.db2.gz MSKAIWPDROJIPL-UHFFFAOYSA-N 0 0 353.378 2.838 20 10 FFCDRN C[C@@H](NC(=O)c1ccc2[nH]ccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000906421252 980654770 /nfs/dbraw/zinc/65/47/70/980654770.db2.gz YYRIMKIQFLIPHF-CQSZACIVSA-N 0 0 350.422 2.891 20 10 FFCDRN C[C@@H]1CC(=O)Nc2ccc(C(=O)NCc3ccc(N(C)C)c(F)c3)cc2N1 ZINC000906453206 980661028 /nfs/dbraw/zinc/66/10/28/980661028.db2.gz DDXUTPPEXQLJBQ-GFCCVEGCSA-N 0 0 370.428 2.964 20 10 FFCDRN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c(=O)n(C)c1 ZINC000841673394 981118309 /nfs/dbraw/zinc/11/83/09/981118309.db2.gz NUUMZDYVVSKDCH-HNNXBMFYSA-N 0 0 356.470 2.821 20 10 FFCDRN COC(=O)C[C@@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000129983602 981212386 /nfs/dbraw/zinc/21/23/86/981212386.db2.gz BWTYURVZIASHEH-GFCCVEGCSA-N 0 0 370.396 2.572 20 10 FFCDRN CCC(=O)N1CCc2ccc(S(=O)(=O)N[C@H](C)c3ccccc3O)cc21 ZINC000907318793 981231407 /nfs/dbraw/zinc/23/14/07/981231407.db2.gz NGOXNSXNMJBDCS-CYBMUJFWSA-N 0 0 374.462 2.731 20 10 FFCDRN Cc1nc(C(C)(C)NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000729815627 981686364 /nfs/dbraw/zinc/68/63/64/981686364.db2.gz FBYPCSGSZHQLPQ-ZDUSSCGKSA-N 0 0 373.457 2.510 20 10 FFCDRN COCC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000174917666 981896085 /nfs/dbraw/zinc/89/60/85/981896085.db2.gz JQWSDNWWOURPDO-HXUWFJFHSA-N 0 0 360.454 2.620 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc(O)cc3O)cc2)C[C@@H](C)O1 ZINC000910952011 982097791 /nfs/dbraw/zinc/09/77/91/982097791.db2.gz OYJSYYXMQGCYHU-HUUCEWRRSA-N 0 0 370.449 2.637 20 10 FFCDRN CC(=O)CCc1ccc(O[C@@H](C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910955789 982098904 /nfs/dbraw/zinc/09/89/04/982098904.db2.gz UEZLWZMXJFODIT-AWEZNQCLSA-N 0 0 357.406 2.703 20 10 FFCDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910947674 982107562 /nfs/dbraw/zinc/10/75/62/982107562.db2.gz JJEPINDIMZJCCD-DOMZBBRYSA-N 0 0 364.442 2.750 20 10 FFCDRN CC(C)(C)N1CCC[C@H](C(=O)NCc2ccc3cccnc3c2O)C1=O ZINC000911262634 982191269 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COCCN(C[C@@H]1CCC2(CCOCC2)O1)c1ccc(OC)c(OC)c1 ZINC000878255973 1014950846 /nfs/dbraw/zinc/95/08/46/1014950846.db2.gz QZBUJUONTKOGJX-KRWDZBQOSA-N 0 0 365.470 2.885 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2nnc(-c3ccco3)o2)cc1 ZINC000911892943 983916664 /nfs/dbraw/zinc/91/66/64/983916664.db2.gz NXTFNFYQCQYQKE-UHFFFAOYSA-N 0 0 356.382 2.547 20 10 FFCDRN Cc1cccnc1[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000912158501 983963641 /nfs/dbraw/zinc/96/36/41/983963641.db2.gz CERKXWDFAGTIJZ-OAHLLOKOSA-N 0 0 372.444 2.926 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(-n2cccn2)nc1 ZINC000150981707 984153587 /nfs/dbraw/zinc/15/35/87/984153587.db2.gz NDJXGAZQEOTPCU-UHFFFAOYSA-N 0 0 360.421 2.965 20 10 FFCDRN CNC(=O)c1cccc(CCC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000151380267 984270324 /nfs/dbraw/zinc/27/03/24/984270324.db2.gz UJHVBZXDCHMDSZ-UHFFFAOYSA-N 0 0 366.461 2.880 20 10 FFCDRN Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000785425231 984296317 /nfs/dbraw/zinc/29/63/17/984296317.db2.gz 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CCn1c(N2CCN(c3ccc(OC)c(F)c3)CC2)nnc1C(C)(C)F ZINC001342892349 1051501741 /nfs/dbraw/zinc/50/17/41/1051501741.db2.gz SGLSULUIXMMLLC-UHFFFAOYSA-N 0 0 365.428 2.977 20 10 FFCDRN C[C@H]1CCC(F)(F)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001341310922 1051665815 /nfs/dbraw/zinc/66/58/15/1051665815.db2.gz WTIJQTZQHGJQSX-AWEZNQCLSA-N 0 0 353.413 2.852 20 10 FFCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CC(=O)N(C)C1CCCCC1 ZINC001304794489 1051701670 /nfs/dbraw/zinc/70/16/70/1051701670.db2.gz KZROGJIPJCPEGF-UHFFFAOYSA-N 0 0 371.485 2.720 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccc([S@@](C)=O)cc3)CC2)cc1 ZINC001341407271 1051763895 /nfs/dbraw/zinc/76/38/95/1051763895.db2.gz QTKWEZYPZQKGBQ-AREMUKBSSA-N 0 0 372.490 2.785 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3csc(N)n3)ccc21 ZINC001341454104 1051811189 /nfs/dbraw/zinc/81/11/89/1051811189.db2.gz OWKWJLXWTZPKLQ-UHFFFAOYSA-N 0 0 358.467 2.873 20 10 FFCDRN CCc1nnc(N2CCC[C@@H](OC)C2)n1Cc1ccc(N(C)C)cc1C ZINC001306168443 1052051655 /nfs/dbraw/zinc/05/16/55/1052051655.db2.gz 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COc1ccc(N2CC[C@@H](CNC(=O)c3cc(F)cc(F)c3N)C2)cc1 ZINC001469279932 1064120206 /nfs/dbraw/zinc/12/02/06/1064120206.db2.gz HSRAPCZNXLTZFK-LBPRGKRZSA-N 0 0 361.392 2.812 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCCNc2ncnc3sccc32)cc1 ZINC001469531967 1064162455 /nfs/dbraw/zinc/16/24/55/1064162455.db2.gz QZCMYQDPHVHBAR-UHFFFAOYSA-N 0 0 369.410 2.696 20 10 FFCDRN C[C@](CO)(NC(=O)Cc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC001470276728 1064292490 /nfs/dbraw/zinc/29/24/90/1064292490.db2.gz XEALYMHDWYJXBO-QGZVFWFLSA-N 0 0 369.339 2.683 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@]3(C)C(C)C)CC2)c(OC)c1 ZINC001470444026 1064335598 /nfs/dbraw/zinc/33/55/98/1064335598.db2.gz NTZVGCZJANCNFM-UYAOXDASSA-N 0 0 361.486 2.970 20 10 FFCDRN CCCN1C[C@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001470569220 1064368432 /nfs/dbraw/zinc/36/84/32/1064368432.db2.gz HOVHBKLVKUACRO-SFHVURJKSA-N 0 0 372.513 2.687 20 10 FFCDRN O=C([O-])[C@@]12COC[C@@H]1C[N@@H+](Cc1ccc(OCc3ccccc3)cc1O)C2 ZINC001574777741 1078081178 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ZINC001570531850 1077213500 /nfs/dbraw/zinc/21/35/00/1077213500.db2.gz QPVOUKZITGQMJA-HXPMCKFVSA-N 0 0 350.374 2.785 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc2c(c1)SCC(=O)N2 ZINC001570533474 1077213783 /nfs/dbraw/zinc/21/37/83/1077213783.db2.gz DDAUYTYDTOCEOJ-UHFFFAOYSA-N 0 0 365.414 2.915 20 10 FFCDRN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1nc(C(F)(F)F)no1 ZINC001570535344 1077214180 /nfs/dbraw/zinc/21/41/80/1077214180.db2.gz CROGJRIEURZNGA-LURJTMIESA-N 0 0 356.264 2.742 20 10 FFCDRN Cn1nnnc1-c1ccc(NC(=O)C2=S=C3CCCCCC3=C2)cc1 ZINC001586336631 1079605276 /nfs/dbraw/zinc/60/52/76/1079605276.db2.gz ZRHGUUSAMUJQQK-UHFFFAOYSA-N 0 0 353.451 2.798 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1ccncc1NC(=O)C(F)(F)F ZINC001588156138 1079938550 /nfs/dbraw/zinc/93/85/50/1079938550.db2.gz MQXFCRVFFLKQTA-UHFFFAOYSA-N 0 0 353.300 2.560 20 10 FFCDRN C[C@@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589836942 1080788802 /nfs/dbraw/zinc/78/88/02/1080788802.db2.gz RAGXAOLYIRHOMB-STQMWFEESA-N 0 0 353.426 2.950 20 10 FFCDRN C[C@@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589984928 1080922430 /nfs/dbraw/zinc/92/24/30/1080922430.db2.gz XXSYHEVYEDSZNN-BDJLRTHQSA-N 0 0 364.409 2.697 20 10 FFCDRN C[C@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589984931 1080922964 /nfs/dbraw/zinc/92/29/64/1080922964.db2.gz XXSYHEVYEDSZNN-ZBEGNZNMSA-N 0 0 364.409 2.697 20 10 FFCDRN Cc1cc(C[NH2+][C@](C)(Cn2cccn2)C(=O)[O-])ccc1N1CCCCC1 ZINC001600203642 1126218220 /nfs/dbraw/zinc/21/82/20/1126218220.db2.gz RBFDLYNDKIXWSK-HXUWFJFHSA-N 0 0 356.470 2.815 20 10 FFCDRN Cc1nc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)oc1C ZINC000065803639 506370605 /nfs/dbraw/zinc/37/06/05/506370605.db2.gz FEDRNOHQGRCPSU-UHFFFAOYSA-N 0 0 358.442 2.822 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@]2(CCCOC2)O1 ZINC000369057733 512206026 /nfs/dbraw/zinc/20/60/26/512206026.db2.gz WFJMHEGKXRMKNJ-IERDGZPVSA-N 0 0 373.497 2.549 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(C(F)(F)F)nc1 ZINC000054284466 506529033 /nfs/dbraw/zinc/52/90/33/506529033.db2.gz ZIWIHXHSDHCOGQ-UHFFFAOYSA-N 0 0 365.355 2.867 20 10 FFCDRN CCC(=O)N[C@H](CCSC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000054775613 506618281 /nfs/dbraw/zinc/61/82/81/506618281.db2.gz CPULOTRYXCJMLE-QGZVFWFLSA-N 0 0 363.527 2.551 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2nnc3n2CCCC3)cc1F ZINC000066926938 506696331 /nfs/dbraw/zinc/69/63/31/506696331.db2.gz ZWWFALWQXGGTLN-UHFFFAOYSA-N 0 0 374.464 2.599 20 10 FFCDRN CN(C)C(=O)COc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000043862357 506792386 /nfs/dbraw/zinc/79/23/86/506792386.db2.gz UERHYBPZBFUOPI-UHFFFAOYSA-N 0 0 370.453 2.541 20 10 FFCDRN CCCN1Cc2cccc(NC(=O)C(=O)N(C)Cc3ccccc3O)c2C1 ZINC000067531914 506912576 /nfs/dbraw/zinc/91/25/76/506912576.db2.gz COMUJZIAOIMGBI-UHFFFAOYSA-N 0 0 367.449 2.715 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)[nH]n1 ZINC000056911034 507121749 /nfs/dbraw/zinc/12/17/49/507121749.db2.gz HEEYOVPVHVNMIU-UHFFFAOYSA-N 0 0 368.359 2.504 20 10 FFCDRN O=C(CCC(=O)c1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000057365813 507247245 /nfs/dbraw/zinc/24/72/45/507247245.db2.gz UTUVNFGSMIIHRF-UHFFFAOYSA-N 0 0 370.424 2.942 20 10 FFCDRN COc1cccc(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1O ZINC000068488446 507248173 /nfs/dbraw/zinc/24/81/73/507248173.db2.gz JRSKFMCLUSMPKE-UHFFFAOYSA-N 0 0 370.449 2.745 20 10 FFCDRN COc1cccc(CNC(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)c1O ZINC000068489143 507248639 /nfs/dbraw/zinc/24/86/39/507248639.db2.gz AUJONTRRYYDGOS-BLLLJJGKSA-N 0 0 354.406 2.925 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCc3ccccn3)cc2F)C[C@H](C)O1 ZINC000057421996 507261123 /nfs/dbraw/zinc/26/11/23/507261123.db2.gz ZLYQFBHFCVAWSE-GASCZTMLSA-N 0 0 372.444 2.834 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2c(c1)OCO2 ZINC000047318389 507307016 /nfs/dbraw/zinc/30/70/16/507307016.db2.gz ZGHAIBZVJHFDKV-UHFFFAOYSA-N 0 0 373.384 2.713 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cn(Cc2ccccc2)nn1 ZINC000028332733 507720039 /nfs/dbraw/zinc/72/00/39/507720039.db2.gz PHVHCGUQWVIXIB-UHFFFAOYSA-N 0 0 361.449 2.857 20 10 FFCDRN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc2C[C@@H]1C ZINC000028686518 507736311 /nfs/dbraw/zinc/73/63/11/507736311.db2.gz HNUZDVCLZLAJCX-NSHDSACASA-N 0 0 374.418 2.514 20 10 FFCDRN Cc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000052538042 507813339 /nfs/dbraw/zinc/81/33/39/507813339.db2.gz FDKCCGNLYRKCPH-QGZVFWFLSA-N 0 0 360.479 2.662 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(N3CCOC3=O)c2)cc1 ZINC000078872123 507913530 /nfs/dbraw/zinc/91/35/30/507913530.db2.gz YMTBZUBDRAJQML-UHFFFAOYSA-N 0 0 353.422 2.981 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@H]2CCN(c3ccccc3)C2)c1O ZINC000073717677 507948456 /nfs/dbraw/zinc/94/84/56/507948456.db2.gz DBADYKKYXCOIJN-OAHLLOKOSA-N 0 0 355.438 2.727 20 10 FFCDRN Oc1ccccc1CN(Cc1noc(C2CCOCC2)n1)C[C@@H]1CCCO1 ZINC000111233033 508081095 /nfs/dbraw/zinc/08/10/95/508081095.db2.gz LSFYSNYTQWHUCQ-KRWDZBQOSA-N 0 0 373.453 2.850 20 10 FFCDRN O=C(CC[C@@H]1CCCCO1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000111572428 508108825 /nfs/dbraw/zinc/10/88/25/508108825.db2.gz NRGQUEXPSBWAMQ-KRWDZBQOSA-N 0 0 364.461 2.752 20 10 FFCDRN CCS(=O)(=O)c1ccc(F)c(C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000112001851 508143547 /nfs/dbraw/zinc/14/35/47/508143547.db2.gz YHAXZGKVLJHWMK-UHFFFAOYSA-N 0 0 364.442 2.615 20 10 FFCDRN CCc1cnc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000076197499 508168767 /nfs/dbraw/zinc/16/87/67/508168767.db2.gz GSAMEPLKQGCBOS-UHFFFAOYSA-N 0 0 374.510 2.884 20 10 FFCDRN CO[C@H](C)c1noc(CN(C)C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000081479166 508180157 /nfs/dbraw/zinc/18/01/57/508180157.db2.gz YNYNZLCWFAOAMG-CQSZACIVSA-N 0 0 373.457 2.719 20 10 FFCDRN Cc1cc(C(=O)N2CCC(NC(N)=O)CC2)c(C)n1-c1ccccc1C ZINC000081780319 508210683 /nfs/dbraw/zinc/21/06/83/508210683.db2.gz JPXRGSOGCPJLLN-UHFFFAOYSA-N 0 0 354.454 2.675 20 10 FFCDRN CC(=O)c1cc(F)cc(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)c1O ZINC000084090510 508265497 /nfs/dbraw/zinc/26/54/97/508265497.db2.gz AKDXZGAAZIDPMI-CVEARBPZSA-N 0 0 357.447 2.522 20 10 FFCDRN CCN(Cc1ccccn1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000084153484 508267395 /nfs/dbraw/zinc/26/73/95/508267395.db2.gz STOQBLKUUJKRIL-UHFFFAOYSA-N 0 0 372.444 2.789 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(F)ccc3[N+](=O)[O-])CC2)cc1 ZINC000077221046 508288908 /nfs/dbraw/zinc/28/89/08/508288908.db2.gz QNPHRUKJKNLPDN-UHFFFAOYSA-N 0 0 359.357 2.705 20 10 FFCDRN Cc1cc(C(=O)Cn2cnnc2[S@@](C)=O)c(C)n1-c1cccc(C)c1 ZINC000103924108 508324408 /nfs/dbraw/zinc/32/44/08/508324408.db2.gz KDGPHGGDNUVSRH-VWLOTQADSA-N 0 0 356.451 2.614 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1CCN(C(C)=O)CC1 ZINC000105314407 508369971 /nfs/dbraw/zinc/36/99/71/508369971.db2.gz FDPLMKCFXXEWGR-UHFFFAOYSA-N 0 0 360.502 2.543 20 10 FFCDRN COc1cccc(CNC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c1O ZINC000105650113 508379464 /nfs/dbraw/zinc/37/94/64/508379464.db2.gz PHGSQRYPRRWZSE-OAHLLOKOSA-N 0 0 374.824 2.724 20 10 FFCDRN COc1cccc(CNC(=O)C[C@H]2c3ccccc3CCN2C(C)=O)c1O ZINC000105652942 508379900 /nfs/dbraw/zinc/37/99/00/508379900.db2.gz 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/nfs/dbraw/zinc/77/06/55/508770655.db2.gz UBZDUBALPSUXKS-UHFFFAOYSA-N 0 0 369.465 2.709 20 10 FFCDRN C[C@H](O)C[N@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000130739606 508838856 /nfs/dbraw/zinc/83/88/56/508838856.db2.gz WXAKSSOVOYGBLO-ZETCQYMHSA-N 0 0 353.054 2.730 20 10 FFCDRN COc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccc1F ZINC000124982547 508914628 /nfs/dbraw/zinc/91/46/28/508914628.db2.gz CPSGWDJMMHDIJS-UHFFFAOYSA-N 0 0 358.413 2.943 20 10 FFCDRN Nc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CCOc3ccccc3)C2)cc1 ZINC000160431306 508986111 /nfs/dbraw/zinc/98/61/11/508986111.db2.gz QJRUZWLEGIKVEX-MRXNPFEDSA-N 0 0 367.449 2.915 20 10 FFCDRN COc1cc(N(C)Cc2nc3ccccc3c(=O)n2C)cc(OC)c1OC ZINC000125763356 509026519 /nfs/dbraw/zinc/02/65/19/509026519.db2.gz CQNMOUOPOXCCQJ-UHFFFAOYSA-N 0 0 369.421 2.596 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)C[C@H]2COC(=O)C2)cc1 ZINC000155697342 509054058 /nfs/dbraw/zinc/05/40/58/509054058.db2.gz BPJJZHXASYNFRD-CYBMUJFWSA-N 0 0 358.360 2.597 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cncnc1C 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O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@@H]1CSCCS1 ZINC000176064332 509306014 /nfs/dbraw/zinc/30/60/14/509306014.db2.gz CZDGUTRJVRFNKA-ZNNBYXKUSA-N 0 0 364.536 2.501 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)CC(=O)OC ZINC000163031280 509331970 /nfs/dbraw/zinc/33/19/70/509331970.db2.gz NFRBXUQGSYFTLN-JTQLQIEISA-N 0 0 358.232 2.702 20 10 FFCDRN CCN(Cc1nc2ccccc2c(=O)n1C)c1ccc(OC)c(OC)c1 ZINC000264202498 509379487 /nfs/dbraw/zinc/37/94/87/509379487.db2.gz JGRRWJXNRCBTNE-UHFFFAOYSA-N 0 0 353.422 2.977 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@H]2CCC[C@@H]2C1 ZINC000163846352 509431177 /nfs/dbraw/zinc/43/11/77/509431177.db2.gz LZKGQFVXMZYATJ-HZPDHXFCSA-N 0 0 361.461 2.728 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2cccnc2)on1 ZINC000173199302 509450179 /nfs/dbraw/zinc/45/01/79/509450179.db2.gz FLAAVYPDYKQSAW-UHFFFAOYSA-N 0 0 350.378 2.842 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cncc(Br)c1 ZINC000173200745 509452061 /nfs/dbraw/zinc/45/20/61/509452061.db2.gz 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ZINC000186054951 509501517 /nfs/dbraw/zinc/50/15/17/509501517.db2.gz AJXZYXCQOVMNTH-NOZJJQNGSA-N 0 0 369.252 2.889 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000264481791 509553332 /nfs/dbraw/zinc/55/33/32/509553332.db2.gz IQWMVOYSMOXVBM-UHFFFAOYSA-N 0 0 366.465 2.904 20 10 FFCDRN C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267592947 509557823 /nfs/dbraw/zinc/55/78/23/509557823.db2.gz UZZAOLXLPHNYPD-HUUCEWRRSA-N 0 0 366.421 2.919 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(C)c(C(=O)N(C)C)c2)c1O ZINC000267685771 509594775 /nfs/dbraw/zinc/59/47/75/509594775.db2.gz XQNHXXGXGANCLF-UHFFFAOYSA-N 0 0 357.410 2.733 20 10 FFCDRN Nc1c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000176587056 509597738 /nfs/dbraw/zinc/59/77/38/509597738.db2.gz PDRCYCSGKLHWBU-AWEZNQCLSA-N 0 0 371.393 2.704 20 10 FFCDRN Cc1cc(CS(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000264653470 509626427 /nfs/dbraw/zinc/62/64/27/509626427.db2.gz YQOCGPZMSHSSTN-UHFFFAOYSA-N 0 0 363.483 2.935 20 10 FFCDRN CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000186376796 509678264 /nfs/dbraw/zinc/67/82/64/509678264.db2.gz ULESMILHKUGTFQ-ZDUSSCGKSA-N 0 0 358.479 2.632 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CC2(CS(C)(=O)=O)CC2)cc1F ZINC000176798773 509696527 /nfs/dbraw/zinc/69/65/27/509696527.db2.gz PRXXYOPZGNWENZ-UHFFFAOYSA-N 0 0 370.490 2.503 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000264775160 509697000 /nfs/dbraw/zinc/69/70/00/509697000.db2.gz SNZGHIDBLVBRIH-GSSTWSARSA-N 0 0 356.466 2.706 20 10 FFCDRN COC(=O)NCC(=O)N(Cc1ccc(N(C)C)cc1)c1ccc(OC)cc1 ZINC000264775275 509697619 /nfs/dbraw/zinc/69/76/19/509697619.db2.gz QBDJJDIRLBPZMO-UHFFFAOYSA-N 0 0 371.437 2.650 20 10 FFCDRN C[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)NC(=O)C1CCCCC1 ZINC000186421844 509700455 /nfs/dbraw/zinc/70/04/55/509700455.db2.gz NTSHXFKVKSQRMG-UONOGXRCSA-N 0 0 362.470 2.620 20 10 FFCDRN COc1cccc([C@@H](C)N2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000193021175 509739562 /nfs/dbraw/zinc/73/95/62/509739562.db2.gz XUXVSCQEWJQNLF-CQSZACIVSA-N 0 0 356.422 2.625 20 10 FFCDRN Cc1cc(C(=O)N(C)[C@H](C)[C@H](C)S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000264881823 509755110 /nfs/dbraw/zinc/75/51/10/509755110.db2.gz CRBYUTQJLARONO-ZBFHGGJFSA-N 0 0 362.495 2.988 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1COc2ccccc21 ZINC000264893124 509761395 /nfs/dbraw/zinc/76/13/95/509761395.db2.gz MUGYJCQJWJTYOD-LJQANCHMSA-N 0 0 352.434 2.658 20 10 FFCDRN CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)OC)cc2)SC1=S ZINC000268131423 509771911 /nfs/dbraw/zinc/77/19/11/509771911.db2.gz FMLWEUYAONWPDB-PEHNMLCRSA-N 0 0 351.449 2.848 20 10 FFCDRN Cc1cn2c(ncc(C(=O)NCc3c(O)ccc4c3CCCC4)c2=O)s1 ZINC000180196573 509805745 /nfs/dbraw/zinc/80/57/45/509805745.db2.gz AECGWCFGQDUASU-UHFFFAOYSA-N 0 0 369.446 2.579 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccccc2O[C@H]2CCOC2)c1O ZINC000268367139 509890985 /nfs/dbraw/zinc/89/09/85/509890985.db2.gz NUIFUMRRLRJFNP-AWEZNQCLSA-N 0 0 358.394 2.890 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N(C)C)cc1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000186792178 509898645 /nfs/dbraw/zinc/89/86/45/509898645.db2.gz ONFRTFJEVXMCJR-AWEZNQCLSA-N 0 0 361.486 2.872 20 10 FFCDRN Cc1c(F)cccc1S(=O)(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000174062813 509929507 /nfs/dbraw/zinc/92/95/07/509929507.db2.gz QLUAFJDPLYRRHK-UHFFFAOYSA-N 0 0 350.415 2.788 20 10 FFCDRN CC(=O)c1cccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000174063329 509930751 /nfs/dbraw/zinc/93/07/51/509930751.db2.gz PYQYSFXPNBBHDU-UHFFFAOYSA-N 0 0 360.435 2.543 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@H]3CSCCS3)CC2)cc1 ZINC000193519090 509948443 /nfs/dbraw/zinc/94/84/43/509948443.db2.gz RPBHBAUWSJABAT-MRXNPFEDSA-N 0 0 352.525 2.583 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@H]3CCCc4n[nH]cc43)CC2)cc1 ZINC000177311932 509991724 /nfs/dbraw/zinc/99/17/24/509991724.db2.gz NYACDWGQOCOFGZ-KRWDZBQOSA-N 0 0 354.454 2.577 20 10 FFCDRN COc1ccccc1N1CC[C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180731358 510078178 /nfs/dbraw/zinc/07/81/78/510078178.db2.gz 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CCOc1cccc(CNc2ccc(C(=O)N[C@@H](CC)CO)cc2)c1O ZINC000280821644 511616154 /nfs/dbraw/zinc/61/61/54/511616154.db2.gz VJMCSVGFFJZROX-INIZCTEOSA-N 0 0 358.438 2.904 20 10 FFCDRN CCS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000299426516 511632125 /nfs/dbraw/zinc/63/21/25/511632125.db2.gz JVJVVQQTIVPHKP-UHFFFAOYSA-N 0 0 360.479 2.818 20 10 FFCDRN C[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](c2ccccc2)O1 ZINC000301609227 511698162 /nfs/dbraw/zinc/69/81/62/511698162.db2.gz AXFGTZXVYHNSDW-KPZWWZAWSA-N 0 0 369.377 2.892 20 10 FFCDRN Cc1cccc(N2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)CC2)c1 ZINC000301587612 511698230 /nfs/dbraw/zinc/69/82/30/511698230.db2.gz BRTIWSOJKVKJSH-UHFFFAOYSA-N 0 0 368.393 2.561 20 10 FFCDRN Cc1cccc(OCCN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)c1 ZINC000301612203 511698536 /nfs/dbraw/zinc/69/85/36/511698536.db2.gz FQVFHUIMELQUET-UHFFFAOYSA-N 0 0 357.366 2.749 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@@H](c4ccccc4F)C3)cc2N1 ZINC000301668352 511699204 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ZINC000367682945 512614181 /nfs/dbraw/zinc/61/41/81/512614181.db2.gz JAUIWYZBNJKYPJ-JKIFEVAISA-N 0 0 366.889 2.941 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@]3(CCCOC3)C2)cc1 ZINC000376288476 512751885 /nfs/dbraw/zinc/75/18/85/512751885.db2.gz HWFLBKJXWFYDDI-HXUWFJFHSA-N 0 0 361.486 2.624 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)c(C)n1-c1ccccn1 ZINC000376350420 512779984 /nfs/dbraw/zinc/77/99/84/512779984.db2.gz IMSXWQXQOISTLZ-SJLPKXTDSA-N 0 0 367.449 2.699 20 10 FFCDRN COC(=O)[C@@H](NC1CCN(c2ccc(OC)cc2)CC1)c1cccc(O)c1 ZINC000372813227 513055108 /nfs/dbraw/zinc/05/51/08/513055108.db2.gz FDDPMFXRZQJGSC-FQEVSTJZSA-N 0 0 370.449 2.874 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)C(=O)NC(C)C)ccc21 ZINC000412854707 513304855 /nfs/dbraw/zinc/30/48/55/513304855.db2.gz KPYGOOIXLSJOJZ-CQSZACIVSA-N 0 0 359.470 2.547 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnn(C)c1C(F)(F)F ZINC000445029488 514392444 /nfs/dbraw/zinc/39/24/44/514392444.db2.gz CVKVBQCKFLFGDX-UHFFFAOYSA-N 0 0 369.347 2.936 20 10 FFCDRN CCN(CC)C(=O)CCCNC(=O)NCc1c(C)c2ccccc2n1C ZINC000471653995 514972636 /nfs/dbraw/zinc/97/26/36/514972636.db2.gz CEQODWCWQQFCGE-UHFFFAOYSA-N 0 0 358.486 2.935 20 10 FFCDRN CC(=O)NC1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000503365231 515012857 /nfs/dbraw/zinc/01/28/57/515012857.db2.gz ZMLOEMOOBBAAHM-UHFFFAOYSA-N 0 0 356.470 2.733 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3cn(C)nc3OC)ccc21 ZINC000476566531 515105479 /nfs/dbraw/zinc/10/54/79/515105479.db2.gz NAODFLULHBMEQC-UHFFFAOYSA-N 0 0 356.426 2.899 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](O)Cc1ccccc1Cl ZINC000476672555 515150981 /nfs/dbraw/zinc/15/09/81/515150981.db2.gz FNBZSHCFJVROMA-QGZVFWFLSA-N 0 0 360.841 2.735 20 10 FFCDRN Cc1nc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)sc1C ZINC000472781519 515395053 /nfs/dbraw/zinc/39/50/53/515395053.db2.gz CFOPDTUPBICRJB-UHFFFAOYSA-N 0 0 356.451 2.815 20 10 FFCDRN COc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1F ZINC000472781551 515395660 /nfs/dbraw/zinc/39/56/60/515395660.db2.gz BZXBVJCLGRTXAK-UHFFFAOYSA-N 0 0 369.396 2.889 20 10 FFCDRN COc1ccccc1C(=O)NCC(=O)NCc1c(C)c2ccccc2n1C ZINC000473264846 515556534 /nfs/dbraw/zinc/55/65/34/515556534.db2.gz OVNFXTNCGBNSKU-UHFFFAOYSA-N 0 0 365.433 2.542 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)ccc21 ZINC000486751603 515618983 /nfs/dbraw/zinc/61/89/83/515618983.db2.gz KBJRNIQVKJNIRC-AWEZNQCLSA-N 0 0 373.497 2.938 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](CO)c1ccc(Cl)cc1 ZINC000513678059 516716105 /nfs/dbraw/zinc/71/61/05/516716105.db2.gz HQWRRRVIIPUZPI-INIZCTEOSA-N 0 0 360.841 2.908 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1nc(C(F)(F)F)n2c1CCCC2 ZINC000528862799 516757214 /nfs/dbraw/zinc/75/72/14/516757214.db2.gz NVNXPZUDMDTTEY-UHFFFAOYSA-N 0 0 355.316 2.579 20 10 FFCDRN Cc1ccc(-c2nn(C)cc2C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)o1 ZINC000528997049 516851744 /nfs/dbraw/zinc/85/17/44/516851744.db2.gz RUXFJWQKTOXDKG-LLVKDONJSA-N 0 0 355.394 2.761 20 10 FFCDRN CCC(=O)N1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000525934531 517245240 /nfs/dbraw/zinc/24/52/40/517245240.db2.gz JPGVNBARNWAYRA-UHFFFAOYSA-N 0 0 356.470 2.641 20 10 FFCDRN Cc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1O ZINC000529678966 517279685 /nfs/dbraw/zinc/27/96/85/517279685.db2.gz ZEMQHYFSJSARRO-KGLIPLIRSA-N 0 0 374.300 2.615 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)C[C@@]2(CCOC2)O1 ZINC000527228340 517577034 /nfs/dbraw/zinc/57/70/34/517577034.db2.gz UUBQWFUXAFJMBI-IIBYNOLFSA-N 0 0 371.481 2.966 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC[C@H]1CCCOC1 ZINC000530197718 517620649 /nfs/dbraw/zinc/62/06/49/517620649.db2.gz SZXVLJCQAQAOLR-GFCCVEGCSA-N 0 0 352.818 2.627 20 10 FFCDRN O=C(Nc1ccc2cc([N+](=O)[O-])ccc2n1)C1=S=c2ccsc2=C1 ZINC000530999829 518094024 /nfs/dbraw/zinc/09/40/24/518094024.db2.gz OPPQMLNVLFPCSR-UHFFFAOYSA-N 0 0 355.400 2.794 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc3cn(C)nc3c2)c1 ZINC000528169204 518130477 /nfs/dbraw/zinc/13/04/77/518130477.db2.gz CQVVOKLENGDHJH-GFCCVEGCSA-N 0 0 354.410 2.848 20 10 FFCDRN Cc1c(C)n(C)c2ccc(OCC(=O)N[C@H](C)C(=O)N3CCCCC3)cc12 ZINC000564648502 518543735 /nfs/dbraw/zinc/54/37/35/518543735.db2.gz HTYVRPVQSFPWKT-OAHLLOKOSA-N 0 0 371.481 2.691 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(C)nc1-c1ccco1 ZINC000611656908 521268378 /nfs/dbraw/zinc/26/83/78/521268378.db2.gz GOKBUKJITJGFGD-UHFFFAOYSA-N 0 0 352.394 2.785 20 10 FFCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@H]2C[C@@H](O)C2)C1 ZINC000629255209 522045411 /nfs/dbraw/zinc/04/54/11/522045411.db2.gz QCNWJDMMZFEWNH-CALCHBBNSA-N 0 0 369.509 2.637 20 10 FFCDRN C[NH+]1CCC(N2C(=O)/C(=C\c3cccc(C(=O)[O-])c3)SC2=S)CC1 ZINC000820619937 598201230 /nfs/dbraw/zinc/20/12/30/598201230.db2.gz BBADOKQNABPXJA-GXDHUFHOSA-N 0 0 362.476 2.680 20 10 FFCDRN CSCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000821970172 599628263 /nfs/dbraw/zinc/62/82/63/599628263.db2.gz KDKSKATUXKSITH-UHFFFAOYSA-N 0 0 357.439 2.794 20 10 FFCDRN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1ccccc1F ZINC000739793613 600315682 /nfs/dbraw/zinc/31/56/82/600315682.db2.gz IIELGMQGWAFWHC-INIZCTEOSA-N 0 0 353.777 2.805 20 10 FFCDRN O=C([O-])NC1(C[NH2+]Cc2ccc(N3CCOCC3)cc2)CCCCCC1 ZINC000740548449 602649127 /nfs/dbraw/zinc/64/91/27/602649127.db2.gz TYFDOILVVZJAQK-UHFFFAOYSA-N 0 0 361.486 2.973 20 10 FFCDRN Fc1cccc(CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)n1 ZINC000826376718 607649045 /nfs/dbraw/zinc/64/90/45/607649045.db2.gz OVZMKOVDOSEZAH-UHFFFAOYSA-N 0 0 363.809 2.541 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000825480396 604316107 /nfs/dbraw/zinc/31/61/07/604316107.db2.gz XINYOODOOQRCDO-CHWSQXEVSA-N 0 0 353.850 2.580 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825483851 604933656 /nfs/dbraw/zinc/93/36/56/604933656.db2.gz BNEMWYNFDPLYBW-GJZGRUSLSA-N 0 0 365.449 2.703 20 10 FFCDRN O=C([O-])NC1CC[NH+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000834188672 605484461 /nfs/dbraw/zinc/48/44/61/605484461.db2.gz AARUHJXQPNTORT-UHFFFAOYSA-N 0 0 362.430 2.817 20 10 FFCDRN Cc1cc(Br)cc(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1O ZINC000833897908 605993024 /nfs/dbraw/zinc/99/30/24/605993024.db2.gz PGAZCMDTQOEEND-MFKMUULPSA-N 0 0 357.248 2.941 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)c1 ZINC000821838881 606348004 /nfs/dbraw/zinc/34/80/04/606348004.db2.gz QXYACUUURQNWGJ-SECBINFHSA-N 0 0 372.360 2.603 20 10 FFCDRN CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000825812258 608003985 /nfs/dbraw/zinc/00/39/85/608003985.db2.gz JJXQYRPWDFUIHE-XVNBXDOJSA-N 0 0 358.764 2.730 20 10 FFCDRN COc1cc(N(C)Cc2ccc(-c3nn[nH]n3)s2)cc(OC)c1OC ZINC000826180373 609174281 /nfs/dbraw/zinc/17/42/81/609174281.db2.gz DYRLAFMTWHGOAJ-UHFFFAOYSA-N 0 0 361.427 2.590 20 10 FFCDRN Cc1ccnc(N2CC=C(c3c[nH]c4ncccc34)CC2)c1-c1nn[nH]n1 ZINC000826309973 609527170 /nfs/dbraw/zinc/52/71/70/609527170.db2.gz HYQQECOQIMNSDR-UHFFFAOYSA-N 0 0 358.409 2.740 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000152929687 728768856 /nfs/dbraw/zinc/76/88/56/728768856.db2.gz KHBWRLYWUWJBTH-SNVBAGLBSA-N 0 0 368.450 2.561 20 10 FFCDRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc(F)c1F ZINC000153841677 728789752 /nfs/dbraw/zinc/78/97/52/728789752.db2.gz XHIXDYXEEZKNDO-VIFPVBQESA-N 0 0 370.377 2.533 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cccc(OCC(F)(F)F)n2)c1 ZINC000155217678 728823341 /nfs/dbraw/zinc/82/33/41/728823341.db2.gz KGVKPGWEPWXPPO-UHFFFAOYSA-N 0 0 356.300 2.667 20 10 FFCDRN CC(C)N(C[C@@H](C)O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000160920303 728927144 /nfs/dbraw/zinc/92/71/44/728927144.db2.gz YQLACUQVEISZRM-OAHLLOKOSA-N 0 0 351.516 2.541 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000161180052 728929730 /nfs/dbraw/zinc/92/97/30/728929730.db2.gz CWWKFDDSFIVAPQ-MRVPVSSYSA-N 0 0 361.341 2.858 20 10 FFCDRN C[C@@H](Cc1cccnc1)NC(=O)NCc1cccc(Br)c1O ZINC000898325199 735341657 /nfs/dbraw/zinc/34/16/57/735341657.db2.gz NYDSDLYYXHISHK-NSHDSACASA-N 0 0 364.243 2.980 20 10 FFCDRN CCSCCOC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O ZINC000744474866 735357999 /nfs/dbraw/zinc/35/79/99/735357999.db2.gz YXTSZXLUSWVRDA-UHFFFAOYSA-N 0 0 355.415 2.954 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cnnn2-c2ccccc2Cl)cc1 ZINC000745413156 735419997 /nfs/dbraw/zinc/41/99/97/735419997.db2.gz ANPQDKHZGJRHGL-UHFFFAOYSA-N 0 0 355.829 2.917 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cocn1 ZINC000745807801 735445175 /nfs/dbraw/zinc/44/51/75/735445175.db2.gz FSRGEPSYYDTKMN-UHFFFAOYSA-N 0 0 354.204 2.874 20 10 FFCDRN O=C(NC[C@H](O)C(F)(F)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000899229021 735462510 /nfs/dbraw/zinc/46/25/10/735462510.db2.gz OMANWKPXAUKPGH-JTQLQIEISA-N 0 0 371.283 2.601 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2cccc3c2OCC3)SC1=S ZINC000899260535 735467590 /nfs/dbraw/zinc/46/75/90/735467590.db2.gz JYYVNERJVRGZPB-RAXLEYEMSA-N 0 0 363.460 2.776 20 10 FFCDRN COC(=O)[C@@H](C)Oc1ccccc1/C=C1\SC(=S)N(C2CC2)C1=O ZINC000899260475 735467613 /nfs/dbraw/zinc/46/76/13/735467613.db2.gz IGBXVCQXBCLVAG-AHEVQNHNSA-N 0 0 363.460 2.991 20 10 FFCDRN COc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1Br ZINC000044286080 727984674 /nfs/dbraw/zinc/98/46/74/727984674.db2.gz ZQBADWROWBIEPW-UHFFFAOYSA-N 0 0 358.213 2.964 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NCC1CC1 ZINC000045459462 728002600 /nfs/dbraw/zinc/00/26/00/728002600.db2.gz YYNUKJINMAQLDK-UHFFFAOYSA-N 0 0 357.376 2.751 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCc3nc(C)cs3)CC2)cc1 ZINC000056373869 728102896 /nfs/dbraw/zinc/10/28/96/728102896.db2.gz OWEYKBICIGPMHY-UHFFFAOYSA-N 0 0 360.483 2.882 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCC(=O)OC(C)C)cc1F ZINC000066926785 728179216 /nfs/dbraw/zinc/17/92/16/728179216.db2.gz MMKJLKRWXCEQAM-UHFFFAOYSA-N 0 0 353.438 2.813 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSCC(F)(F)F ZINC000090093792 728448965 /nfs/dbraw/zinc/44/89/65/728448965.db2.gz UEDYGZSECILBNE-UHFFFAOYSA-N 0 0 362.417 2.777 20 10 FFCDRN Cc1ncc(/C=C/C(=O)N(CCN2CCOCC2)c2ccccc2)s1 ZINC000112241396 728543446 /nfs/dbraw/zinc/54/34/46/728543446.db2.gz FEXNNWIPRHWPSK-BQYQJAHWSA-N 0 0 357.479 2.830 20 10 FFCDRN CCCCCN(CCO)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000112441816 728545435 /nfs/dbraw/zinc/54/54/35/728545435.db2.gz UWNSVIDYYPHZQP-UHFFFAOYSA-N 0 0 365.543 2.934 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)S(=O)(=O)N(C)C(C)C ZINC000123903952 728664243 /nfs/dbraw/zinc/66/42/43/728664243.db2.gz JGQVHXHCYDOQIC-UHFFFAOYSA-N 0 0 365.293 2.562 20 10 FFCDRN CN(C)c1ccc(CNC(=O)COc2ccc(Br)nc2)cc1 ZINC000127345402 728706088 /nfs/dbraw/zinc/70/60/88/728706088.db2.gz BTNGLEXWIOLDNP-UHFFFAOYSA-N 0 0 364.243 2.605 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c[nH]c2ncccc12 ZINC000128098387 728708048 /nfs/dbraw/zinc/70/80/48/728708048.db2.gz QARWTDVHSIQUQA-UHFFFAOYSA-N 0 0 358.467 2.840 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCN1CC(F)F ZINC000133271425 728726586 /nfs/dbraw/zinc/72/65/86/728726586.db2.gz BXZXKTWDIQKXKN-OAHLLOKOSA-N 0 0 354.445 2.624 20 10 FFCDRN COCc1cccc(S(=O)(=O)NCCCSc2nccs2)c1 ZINC000172260199 729022747 /nfs/dbraw/zinc/02/27/47/729022747.db2.gz HVPNLJYFQWQAOP-UHFFFAOYSA-N 0 0 358.510 2.750 20 10 FFCDRN COCCc1ccc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000751318010 735863677 /nfs/dbraw/zinc/86/36/77/735863677.db2.gz KAONVZGWGJFKIF-CYBMUJFWSA-N 0 0 365.451 2.629 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC000175345723 729093929 /nfs/dbraw/zinc/09/39/29/729093929.db2.gz FQDXNLAJNFGNPQ-SFHVURJKSA-N 0 0 352.406 2.700 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000177967615 729150704 /nfs/dbraw/zinc/15/07/04/729150704.db2.gz BBEKYSZRQHZMOD-UHFFFAOYSA-N 0 0 366.215 2.517 20 10 FFCDRN O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179341656 729184246 /nfs/dbraw/zinc/18/42/46/729184246.db2.gz NYNGRYPXZZUJRC-GFCCVEGCSA-N 0 0 367.833 2.692 20 10 FFCDRN Cc1cc(C(=O)NCCNC(=O)N(C)C)c(C)n1-c1cccc(Cl)c1 ZINC000179595844 729189813 /nfs/dbraw/zinc/18/98/13/729189813.db2.gz JNAJSPIARCWPRQ-UHFFFAOYSA-N 0 0 362.861 2.749 20 10 FFCDRN O=C(CCOc1ccccc1Br)NCc1ccc(O)c(O)c1 ZINC000778919932 738421072 /nfs/dbraw/zinc/42/10/72/738421072.db2.gz QAXCHXKXTIKFLI-UHFFFAOYSA-N 0 0 366.211 2.946 20 10 FFCDRN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(O)cc3F)cc2C[C@@H]1C ZINC000181625396 729253545 /nfs/dbraw/zinc/25/35/45/729253545.db2.gz CFCPGBNDVQIZNW-JTQLQIEISA-N 0 0 364.398 2.630 20 10 FFCDRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCc1ccc(O)c(O)c1 ZINC000778923720 738421317 /nfs/dbraw/zinc/42/13/17/738421317.db2.gz RDVQSNCBJZEWMY-UHFFFAOYSA-N 0 0 366.204 2.911 20 10 FFCDRN Cc1ccc(C)n1-c1nc(CC(=O)NCc2ccc(O)c(O)c2)cs1 ZINC000182524576 729280824 /nfs/dbraw/zinc/28/08/24/729280824.db2.gz CSHVRPBZCIHUTM-UHFFFAOYSA-N 0 0 357.435 2.821 20 10 FFCDRN Cc1ccc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c(O)c1O ZINC000182532322 729280848 /nfs/dbraw/zinc/28/08/48/729280848.db2.gz HFTNFHZROUZSCC-INIZCTEOSA-N 0 0 355.312 2.586 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCC1(CO)CCCC1 ZINC000185175401 729343592 /nfs/dbraw/zinc/34/35/92/729343592.db2.gz RCHBDVDXUHVHPV-UHFFFAOYSA-N 0 0 363.527 2.592 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2ccc(F)cc2[O-])s1 ZINC000186141851 729361251 /nfs/dbraw/zinc/36/12/51/729361251.db2.gz IGHUBSRPOSDTLG-LLVKDONJSA-N 0 0 358.460 2.530 20 10 FFCDRN CCN(C[C@H](O)C(F)(F)F)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000187229308 729373856 /nfs/dbraw/zinc/37/38/56/729373856.db2.gz XFOGYMFHQQHNEM-HNNXBMFYSA-N 0 0 357.376 2.518 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nnc(C(C)(C)C)s1 ZINC000190950156 729413364 /nfs/dbraw/zinc/41/33/64/729413364.db2.gz BTCDEDMULJTLCX-SECBINFHSA-N 0 0 350.444 3.000 20 10 FFCDRN Cc1ccc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)cc1 ZINC000192691318 729456330 /nfs/dbraw/zinc/45/63/30/729456330.db2.gz DTMIUCDSYZUCRA-DTQAZKPQSA-N 0 0 362.520 2.919 20 10 FFCDRN C[C@H]1Cc2cc(S(=O)(=O)NCCc3ccc(N)cc3)cc(Cl)c2O1 ZINC000193337682 729475601 /nfs/dbraw/zinc/47/56/01/729475601.db2.gz HYVCQCOINFFNQV-NSHDSACASA-N 0 0 366.870 2.767 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncccc1Br ZINC000193785749 729489623 /nfs/dbraw/zinc/48/96/23/729489623.db2.gz FZUGEBAHWLLJTL-SECBINFHSA-N 0 0 351.200 2.616 20 10 FFCDRN O=S(=O)(NCc1ccccc1O)c1ccc(Br)cc1F ZINC000228425677 729549459 /nfs/dbraw/zinc/54/94/59/729549459.db2.gz BLWFYTFDQGHROY-UHFFFAOYSA-N 0 0 360.204 2.772 20 10 FFCDRN Cc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(=O)Nc1ccc(N)cc1 ZINC000237613359 729562170 /nfs/dbraw/zinc/56/21/70/729562170.db2.gz HEYGFBJMHASFRR-UHFFFAOYSA-N 0 0 361.467 2.906 20 10 FFCDRN CCN(CC)c1ccc(CN(C)Cc2nnnn2CC(F)(F)F)cc1 ZINC000759321177 736562503 /nfs/dbraw/zinc/56/25/03/736562503.db2.gz GCRYVCZAFUNACR-UHFFFAOYSA-N 0 0 356.396 2.714 20 10 FFCDRN CN(Cc1ncc(Cl)n1C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000779162065 738440969 /nfs/dbraw/zinc/44/09/69/738440969.db2.gz TWSAJIMEPANYKA-UHFFFAOYSA-N 0 0 352.841 2.681 20 10 FFCDRN O=S1(=O)Cc2ccccc2[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000857058571 730376684 /nfs/dbraw/zinc/37/66/84/730376684.db2.gz QLGSJTSPKGLAMF-HNNXBMFYSA-N 0 0 355.818 2.944 20 10 FFCDRN CC[S@@](=O)CCNC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858228504 730420330 /nfs/dbraw/zinc/42/03/30/730420330.db2.gz HPRMIIQVXGNCQD-RUZDIDTESA-N 0 0 361.511 2.970 20 10 FFCDRN Cc1cc(CNC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c(C)n1-c1ccccc1 ZINC000858905635 730436238 /nfs/dbraw/zinc/43/62/38/730436238.db2.gz BYJSXNOCSPSJTD-RPPIVITFSA-N 0 0 357.479 2.509 20 10 FFCDRN CSC[C@@](C)(O)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000859506999 730456858 /nfs/dbraw/zinc/45/68/58/730456858.db2.gz DTOSRCSYPVCNQJ-IBGZPJMESA-N 0 0 360.479 2.750 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c(C)n1-c1ccccn1 ZINC000863055041 730747571 /nfs/dbraw/zinc/74/75/71/730747571.db2.gz MVZOYCWFTRBEMZ-ITNZAGEZSA-N 0 0 357.479 2.615 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CS[C@H]3COC(C)(C)C3)CC2)cc1 ZINC000863354891 730771957 /nfs/dbraw/zinc/77/19/57/730771957.db2.gz HMXNTOPUEUPAEF-QGZVFWFLSA-N 0 0 364.511 2.645 20 10 FFCDRN O=C(Cc1cccnc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000864931735 730893225 /nfs/dbraw/zinc/89/32/25/730893225.db2.gz NVYCXMIJDPEKQR-UHFFFAOYSA-N 0 0 363.820 2.570 20 10 FFCDRN CO[C@]1(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CCSC1 ZINC000925356809 738499402 /nfs/dbraw/zinc/49/94/02/738499402.db2.gz OVLHNQQHADUXEZ-IBGZPJMESA-N 0 0 363.527 2.949 20 10 FFCDRN CSc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1[N+](=O)[O-] ZINC000916608706 737715305 /nfs/dbraw/zinc/71/53/05/737715305.db2.gz FRXCADPVJFRBOA-UHFFFAOYSA-N 0 0 363.347 2.768 20 10 FFCDRN C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Br)cc(F)c1[O-] ZINC000866496121 731067058 /nfs/dbraw/zinc/06/70/58/731067058.db2.gz LXONMGWWWOFJOP-SECBINFHSA-N 0 0 367.222 2.623 20 10 FFCDRN COC[C@H](C)OC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000866542083 731072398 /nfs/dbraw/zinc/07/23/98/731072398.db2.gz DYGNOUVTOQYUFR-MCIONIFRSA-N 0 0 354.422 2.700 20 10 FFCDRN CNS(=O)(=O)c1ccc(CC[NH2+][C@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000866576898 731076041 /nfs/dbraw/zinc/07/60/41/731076041.db2.gz BFSDEGOCLPNRLW-GFCCVEGCSA-N 0 0 368.886 2.847 20 10 FFCDRN COC(C)(C)[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000925486932 738509871 /nfs/dbraw/zinc/50/98/71/738509871.db2.gz UEWCADZJXNTRQZ-GDBMZVCRSA-N 0 0 350.459 2.896 20 10 FFCDRN COc1ccc(OCCCS(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000867836196 731232479 /nfs/dbraw/zinc/23/24/79/731232479.db2.gz JJJHSZBSSZVCPG-AWEZNQCLSA-N 0 0 365.451 2.850 20 10 FFCDRN CCOC1CC2(C[C@@H]2C(=O)NCc2cc(Br)ccc2O)C1 ZINC000868307022 731279930 /nfs/dbraw/zinc/27/99/30/731279930.db2.gz LUTVTEYJMYWNLW-MFOWVQHXSA-N 0 0 354.244 2.976 20 10 FFCDRN CCS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000868480091 731296654 /nfs/dbraw/zinc/29/66/54/731296654.db2.gz SBYYAXLBJHTVJJ-CYBMUJFWSA-N 0 0 362.451 2.746 20 10 FFCDRN C[C@@H](NC(=O)[C@@H]1CSCCS1)c1ccc(N2CCOCC2)cc1 ZINC000920880468 737932709 /nfs/dbraw/zinc/93/27/09/737932709.db2.gz ASRNLELOWGRJGY-CJNGLKHVSA-N 0 0 352.525 2.549 20 10 FFCDRN COc1csc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c1 ZINC000870164838 731478004 /nfs/dbraw/zinc/47/80/04/731478004.db2.gz CVVHBIZOZASKNY-UHFFFAOYSA-N 0 0 362.451 2.736 20 10 FFCDRN CCCS(=O)(=O)Nc1ccc(C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871202423 731605638 /nfs/dbraw/zinc/60/56/38/731605638.db2.gz GYOQADVVTDQUPG-UHFFFAOYSA-N 0 0 360.435 2.700 20 10 FFCDRN Cc1ccc([C@@](O)(CC(=O)N2Cc3cccc(O)c3C2)C(F)(F)F)o1 ZINC000871203573 731605990 /nfs/dbraw/zinc/60/59/90/731605990.db2.gz NJYMETGXKFPMMK-INIZCTEOSA-N 0 0 355.312 2.976 20 10 FFCDRN C[C@@H]1CC[C@@H](C(=O)[O-])C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000871879814 731693894 /nfs/dbraw/zinc/69/38/94/731693894.db2.gz KSXMFXJWMJOEMB-UNEWFSDZSA-N 0 0 350.434 2.641 20 10 FFCDRN CCN(CC)c1ccc(C[NH2+][C@H](Cc2cncs2)C(=O)[O-])cc1F ZINC000871881117 731693919 /nfs/dbraw/zinc/69/39/19/731693919.db2.gz IYUPEFIENZNSGY-OAHLLOKOSA-N 0 0 351.447 2.914 20 10 FFCDRN C[C@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000872753229 731826853 /nfs/dbraw/zinc/82/68/53/731826853.db2.gz JYFVCGZKNNKNBC-INIZCTEOSA-N 0 0 353.344 2.583 20 10 FFCDRN O=C(Cc1csc(C2CC2)n1)NCc1ccc(N2CCOCC2)cc1 ZINC000874155224 732018266 /nfs/dbraw/zinc/01/82/66/732018266.db2.gz PKEZGIIGUXRWRU-UHFFFAOYSA-N 0 0 357.479 2.716 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCOC[C@H]1c1noc(-c2ccccc2)n1 ZINC000780750320 738573375 /nfs/dbraw/zinc/57/33/75/738573375.db2.gz LBULEVCXERKHEK-ZDUSSCGKSA-N 0 0 357.391 2.717 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cnc(C)s1 ZINC000875673809 732179410 /nfs/dbraw/zinc/17/94/10/732179410.db2.gz SNZDDBBIMVQSOX-LBPRGKRZSA-N 0 0 361.467 2.773 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3CCC(OC)CC3)CC2)cc1F ZINC000780890287 738586015 /nfs/dbraw/zinc/58/60/15/738586015.db2.gz ZYUXPLIDBQDYAC-UHFFFAOYSA-N 0 0 350.434 2.688 20 10 FFCDRN Cc1nn(C)c(C)c1[C@@H](NC(=O)c1ccc(C)c(O)c1O)C(F)(F)F ZINC000780954335 738590363 /nfs/dbraw/zinc/59/03/63/738590363.db2.gz DDVKCSDAHRQKOD-CQSZACIVSA-N 0 0 357.332 2.790 20 10 FFCDRN CN(C(=O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1)c1ccc(N)cc1 ZINC000877080862 732321967 /nfs/dbraw/zinc/32/19/67/732321967.db2.gz PLVZWAZRMFYQBD-CQSZACIVSA-N 0 0 357.841 2.934 20 10 FFCDRN CC(C)(C)OC(=O)C1(C[NH2+]Cc2ccc(F)c(F)c2[O-])CCOCC1 ZINC000877604954 732396873 /nfs/dbraw/zinc/39/68/73/732396873.db2.gz KAHYSYHHFHUEGQ-UHFFFAOYSA-N 0 0 357.397 2.899 20 10 FFCDRN Cc1ccc(CN2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)c(O)c1 ZINC000877649703 732406219 /nfs/dbraw/zinc/40/62/19/732406219.db2.gz FIGCATIYDXCOOL-IBGZPJMESA-N 0 0 361.463 2.678 20 10 FFCDRN CC1(C)OC[C@@H]([C@@H]2CN(Cc3c(O)cccc3Br)CCO2)O1 ZINC000877785162 732430505 /nfs/dbraw/zinc/43/05/05/732430505.db2.gz WXGWIVQNTVXGRE-GJZGRUSLSA-N 0 0 372.259 2.507 20 10 FFCDRN CN(CCCS(=O)(=O)C(C)(C)C)Cc1ccc(N2CCOCC2)cc1 ZINC000877923803 732452853 /nfs/dbraw/zinc/45/28/53/732452853.db2.gz XEYVGKVNCJSHDY-UHFFFAOYSA-N 0 0 368.543 2.558 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](OC(F)F)C1 ZINC000781376430 738621881 /nfs/dbraw/zinc/62/18/81/738621881.db2.gz XBKWCUTYJUFGIP-MRXNPFEDSA-N 0 0 351.397 2.976 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000781396156 738623981 /nfs/dbraw/zinc/62/39/81/738623981.db2.gz JKXXDZOBWSVRTF-HOSRBBHYSA-N 0 0 356.325 2.989 20 10 FFCDRN COC(=O)[C@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000781587202 738638672 /nfs/dbraw/zinc/63/86/72/738638672.db2.gz BJADJCYZFUOFEX-MRXNPFEDSA-N 0 0 354.397 2.798 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000781635600 738643809 /nfs/dbraw/zinc/64/38/09/738643809.db2.gz KIXAYROAOTZHAW-XJKSGUPXSA-N 0 0 356.260 2.891 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2nn(C)cc2Br)cc1 ZINC000879959622 732809354 /nfs/dbraw/zinc/80/93/54/732809354.db2.gz QFGHSMHLEZVKHO-UHFFFAOYSA-N 0 0 352.236 2.570 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(C(F)F)n[nH]3)C2)cc1 ZINC000880344417 732894205 /nfs/dbraw/zinc/89/42/05/732894205.db2.gz ZAHUVOVXDSECBM-LLVKDONJSA-N 0 0 350.369 2.612 20 10 FFCDRN Cc1cc(Br)c(O)c(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000781896712 738668845 /nfs/dbraw/zinc/66/88/45/738668845.db2.gz MMPVRCNKJZMLFE-CYBMUJFWSA-N 0 0 374.300 2.615 20 10 FFCDRN O=S(=O)(Nc1ccccc1)[C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000781920491 738672817 /nfs/dbraw/zinc/67/28/17/738672817.db2.gz LATFWQAGIVTTCT-QGZVFWFLSA-N 0 0 364.442 2.938 20 10 FFCDRN COc1ccc(F)cc1CS(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000881761518 733102267 /nfs/dbraw/zinc/10/22/67/733102267.db2.gz SBWKEIGVGLIGGY-UHFFFAOYSA-N 0 0 352.431 2.520 20 10 FFCDRN CC(C)O[C@]1(CS(=O)(=O)Nc2ccc(O)c(C(C)C)c2)CCOC1 ZINC000882799792 733296749 /nfs/dbraw/zinc/29/67/49/733296749.db2.gz ONXQUJCEONGWRI-QGZVFWFLSA-N 0 0 357.472 2.841 20 10 FFCDRN CNC(=O)C1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882935189 733312191 /nfs/dbraw/zinc/31/21/91/733312191.db2.gz IHJRJHNNDAWUQW-UHFFFAOYSA-N 0 0 359.239 2.688 20 10 FFCDRN NC(=O)[C@H]1CC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000883147540 733342411 /nfs/dbraw/zinc/34/24/11/733342411.db2.gz ZINIPEXBBKPZND-MGCOHNPYSA-N 0 0 359.239 2.675 20 10 FFCDRN COC[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C1CCOCC1 ZINC000883165418 733345323 /nfs/dbraw/zinc/34/53/23/733345323.db2.gz DTTUYBFQNPSPBV-AWEZNQCLSA-N 0 0 362.239 2.825 20 10 FFCDRN C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1c([O-])cccc1F ZINC000886524633 733800347 /nfs/dbraw/zinc/80/03/47/733800347.db2.gz NWWBPMRIOXRQKR-GFCCVEGCSA-N 0 0 353.415 2.664 20 10 FFCDRN C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1c([O-])cccc1F ZINC000886607098 733808502 /nfs/dbraw/zinc/80/85/02/733808502.db2.gz LDJLWIWESHHBET-CQSZACIVSA-N 0 0 351.443 2.839 20 10 FFCDRN CC(C)S(=O)(=O)CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708139464 734362505 /nfs/dbraw/zinc/36/25/05/734362505.db2.gz RSWJFDFRGHKDTO-UHFFFAOYSA-N 0 0 370.696 2.721 20 10 FFCDRN CN(CCCNC(=S)Nc1ccc(NC(N)=O)cc1)c1ccccc1 ZINC000726461622 734427311 /nfs/dbraw/zinc/42/73/11/734427311.db2.gz CDAFOFMCVNTNIU-UHFFFAOYSA-N 0 0 357.483 2.990 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000726602087 734436498 /nfs/dbraw/zinc/43/64/98/734436498.db2.gz XLSJFMRLVRTMOY-UHFFFAOYSA-N 0 0 364.442 2.782 20 10 FFCDRN COc1ccc(CN(C)Cc2nccn2CC(F)(F)F)c(O)c1OC ZINC000891921397 734495193 /nfs/dbraw/zinc/49/51/93/734495193.db2.gz RATICWZDTXXHIU-UHFFFAOYSA-N 0 0 359.348 2.800 20 10 FFCDRN CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000727766071 734499851 /nfs/dbraw/zinc/49/98/51/734499851.db2.gz GLIUAGBMYBBBTA-YOEHRIQHSA-N 0 0 363.527 2.659 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)c2cccc(Cl)c2)c1 ZINC000728984271 734552985 /nfs/dbraw/zinc/55/29/85/734552985.db2.gz OPDQKIWTFCHVOO-NSHDSACASA-N 0 0 362.813 2.661 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cnc(C2CC2)s1 ZINC000729325049 734571183 /nfs/dbraw/zinc/57/11/83/734571183.db2.gz MOCRMXCQTMTBJF-UHFFFAOYSA-N 0 0 361.442 2.926 20 10 FFCDRN CC(C)(C)CN(CCO)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000730118232 734616955 /nfs/dbraw/zinc/61/69/55/734616955.db2.gz VGCNDGSUKQSHIK-UHFFFAOYSA-N 0 0 365.543 2.790 20 10 FFCDRN COC1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000730817299 734652188 /nfs/dbraw/zinc/65/21/88/734652188.db2.gz KVDULRJXOCWURK-UHFFFAOYSA-N 0 0 371.865 2.933 20 10 FFCDRN O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(OCC(F)F)cc1 ZINC000783798152 738837907 /nfs/dbraw/zinc/83/79/07/738837907.db2.gz AZWZVSMQHWCSAW-UHFFFAOYSA-N 0 0 357.334 2.860 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1 ZINC000783849197 738841618 /nfs/dbraw/zinc/84/16/18/738841618.db2.gz QJMUXTHMIFXWIE-VXGBXAGGSA-N 0 0 350.415 2.664 20 10 FFCDRN O=C(CCNC(=O)C1=CC(=O)CS1)Nc1ccc(Br)cc1 ZINC000732274941 734729547 /nfs/dbraw/zinc/72/95/47/734729547.db2.gz DUKLZIOJFNBPPG-UHFFFAOYSA-N 0 0 369.240 2.975 20 10 FFCDRN CC(C)N1C(=S)N=NC1C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732289683 734731061 /nfs/dbraw/zinc/73/10/61/734731061.db2.gz JYPHTIOGYLIPJQ-UHFFFAOYSA-N 0 0 352.485 2.935 20 10 FFCDRN COc1ccc(OC)c([C@@H](C)NC(=O)COC(=O)C2=CC(=O)CS2)c1 ZINC000732352686 734736503 /nfs/dbraw/zinc/73/65/03/734736503.db2.gz BXYJICFIJHFEDH-SNVBAGLBSA-N 0 0 365.407 2.505 20 10 FFCDRN O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2[O-])CN1 ZINC000894093574 734800076 /nfs/dbraw/zinc/80/00/76/734800076.db2.gz 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O=C1CC2(CCC2)[N@H+](Cc2cc(Br)cc(F)c2[O-])CCN1 ZINC000895926797 735074540 /nfs/dbraw/zinc/07/45/40/735074540.db2.gz GPYMXXHOJUOTGY-UHFFFAOYSA-N 0 0 357.223 2.538 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@H](C(F)(F)F)C1 ZINC000740469376 735075502 /nfs/dbraw/zinc/07/55/02/735075502.db2.gz PSLUXBVYMKKTDZ-HNNXBMFYSA-N 0 0 357.376 2.760 20 10 FFCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)N1CCCC[C@H]1C ZINC000896080593 735098951 /nfs/dbraw/zinc/09/89/51/735098951.db2.gz BXQPBKIDETZEKD-GHMZBOCLSA-N 0 0 362.451 2.832 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCC([C@]3(C)COC(=O)N3)CC2)cc1F ZINC000896471618 735166631 /nfs/dbraw/zinc/16/66/31/735166631.db2.gz QYZZFBBYHUUBLY-SFHVURJKSA-N 0 0 353.413 2.741 20 10 FFCDRN CN(CCCNC(=O)C1CCC1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897571624 735250114 /nfs/dbraw/zinc/25/01/14/735250114.db2.gz VDCBWGFAOBLYSI-UHFFFAOYSA-N 0 0 362.451 2.691 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCC(N3CCCOC3=O)CC2)cc1F ZINC000897589775 735252602 /nfs/dbraw/zinc/25/26/02/735252602.db2.gz 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/nfs/dbraw/zinc/81/20/89/735812089.db2.gz GTCIWKZDRCTPIF-UHFFFAOYSA-N 0 0 356.495 2.703 20 10 FFCDRN Cc1cccc(S(=O)(=O)NCc2ccccc2O)c1Br ZINC000751151681 735849501 /nfs/dbraw/zinc/84/95/01/735849501.db2.gz UGZPFACSMZYKDJ-UHFFFAOYSA-N 0 0 356.241 2.942 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2O)c(Cl)c1 ZINC000751235317 735856056 /nfs/dbraw/zinc/85/60/56/735856056.db2.gz HROHNXNLBLBRNS-UHFFFAOYSA-N 0 0 369.826 2.653 20 10 FFCDRN CCn1cncc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000751242380 735857015 /nfs/dbraw/zinc/85/70/15/735857015.db2.gz DLBSDFFATAHPMR-UHFFFAOYSA-N 0 0 350.488 2.568 20 10 FFCDRN Cc1cc(C(=O)O[C@H]2CC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccccn1 ZINC000752205970 735966231 /nfs/dbraw/zinc/96/62/31/735966231.db2.gz GMFUBOHVZVLWAR-GJZGRUSLSA-N 0 0 362.451 2.612 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](C)S(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000754237915 736139011 /nfs/dbraw/zinc/13/90/11/736139011.db2.gz NJZBDEAMYLJFTB-LBPRGKRZSA-N 0 0 368.886 2.910 20 10 FFCDRN COc1ccc(F)c(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000756195039 736314355 /nfs/dbraw/zinc/31/43/55/736314355.db2.gz HRPKVCOLBBAGPK-UHFFFAOYSA-N 0 0 369.443 2.528 20 10 FFCDRN C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(F)cc(F)c1[O-] ZINC000756455990 736332641 /nfs/dbraw/zinc/33/26/41/736332641.db2.gz LMPFRFREHKGXBL-SJCJKPOMSA-N 0 0 358.454 2.529 20 10 FFCDRN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])CC2 ZINC000756535555 736339764 /nfs/dbraw/zinc/33/97/64/736339764.db2.gz NLGQAOVITJJGEF-PSASIEDQSA-N 0 0 369.238 2.859 20 10 FFCDRN COCCN1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000756554171 736342068 /nfs/dbraw/zinc/34/20/68/736342068.db2.gz OFAVXPZEDFTQOB-WDEREUQCSA-N 0 0 361.255 2.665 20 10 FFCDRN C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000756584886 736345093 /nfs/dbraw/zinc/34/50/93/736345093.db2.gz HIDBORZEWLIFAZ-VIFPVBQESA-N 0 0 359.239 2.990 20 10 FFCDRN CCc1nncn1CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756622286 736347950 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20 10 FFCDRN C[C@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000757659792 736417267 /nfs/dbraw/zinc/41/72/67/736417267.db2.gz QATZKEBWEDCKEN-LKFCYVNXSA-N 0 0 362.239 2.732 20 10 FFCDRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)C1=CC(=O)CS1 ZINC000757735807 736423613 /nfs/dbraw/zinc/42/36/13/736423613.db2.gz RQNWGVOFVCHPRR-UHFFFAOYSA-N 0 0 361.423 2.513 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1F ZINC000757852368 736430952 /nfs/dbraw/zinc/43/09/52/736430952.db2.gz LMSHMVSEVLLMGZ-WMLDXEAASA-N 0 0 352.450 2.982 20 10 FFCDRN CCOC(=O)[C@H]1CCCCN1C(=O)CN(C)c1ccc(OC)c(Cl)c1 ZINC000757858052 736431360 /nfs/dbraw/zinc/43/13/60/736431360.db2.gz WYDZQKCIYLLQCR-OAHLLOKOSA-N 0 0 368.861 2.729 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1Cl ZINC000758169379 736458357 /nfs/dbraw/zinc/45/83/57/736458357.db2.gz RFVJRRMMNHPCIH-UHFFFAOYSA-N 0 0 359.762 2.772 20 10 FFCDRN COC(=O)/C=C\c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000758169331 736458457 /nfs/dbraw/zinc/45/84/57/736458457.db2.gz OUCDAXCYGOQZEF-WTKPLQERSA-N 0 0 351.355 2.518 20 10 FFCDRN NC(=O)c1ccc(NC(=O)NCCCSc2nccs2)c(F)c1 ZINC000758619740 736506688 /nfs/dbraw/zinc/50/66/88/736506688.db2.gz NYYRQBDREZULDO-UHFFFAOYSA-N 0 0 354.432 2.685 20 10 FFCDRN COc1ccccc1[C@@H](CO)NC(=O)NCCCSc1nccs1 ZINC000759590165 736579229 /nfs/dbraw/zinc/57/92/29/736579229.db2.gz MNJBDUOBZRRSAX-CYBMUJFWSA-N 0 0 367.496 2.667 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C/c2csc(Cl)c2Cl)SC1=S ZINC000760989008 736685756 /nfs/dbraw/zinc/68/57/56/736685756.db2.gz KCYDMLCIMURNQY-KTAJNNJTSA-N 0 0 353.277 2.741 20 10 FFCDRN C[C@H]1C(=O)N(Cc2ccc(N3CCSCC3)cc2)C(=O)N1C1CCC1 ZINC000761101850 736696037 /nfs/dbraw/zinc/69/60/37/736696037.db2.gz WDUUZDRCFFVMOZ-AWEZNQCLSA-N 0 0 359.495 2.945 20 10 FFCDRN COc1cc(Cl)cc(CNc2ccc(OC)c(-n3cnnn3)c2)c1O ZINC000761201718 736706971 /nfs/dbraw/zinc/70/69/71/736706971.db2.gz IKRYZWCUTSLURA-UHFFFAOYSA-N 0 0 361.789 2.651 20 10 FFCDRN CCO[C@@H]1C[C@]2(NC(=O)N(CCCSc3nccs3)C2=O)C1(C)C ZINC000761298397 736719601 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COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)CCC(=O)OC(C)C)c1 ZINC000792303075 739660297 /nfs/dbraw/zinc/66/02/97/739660297.db2.gz HQUYALMIQNDIMN-CHWSQXEVSA-N 0 0 352.431 2.881 20 10 FFCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000792703298 739696040 /nfs/dbraw/zinc/69/60/40/739696040.db2.gz SXWPFVGWDRZSMK-UHFFFAOYSA-N 0 0 366.464 2.898 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(CCO)Cc2cccnc2Cl)cc1 ZINC000792794324 739707779 /nfs/dbraw/zinc/70/77/79/739707779.db2.gz VWCLIJPKTGRKEU-UHFFFAOYSA-N 0 0 362.861 2.505 20 10 FFCDRN CNS(=O)(=O)c1cccc2c1CCN(Cc1c(O)cccc1Cl)C2 ZINC000793608421 739799124 /nfs/dbraw/zinc/79/91/24/739799124.db2.gz ICNGZUSVDORTHB-UHFFFAOYSA-N 0 0 366.870 2.512 20 10 FFCDRN CC(C)c1ncc(Br)c(C(=O)NCc2ccccc2O)n1 ZINC000934936858 739868640 /nfs/dbraw/zinc/86/86/40/739868640.db2.gz ZJWMHXBNWWWMHD-UHFFFAOYSA-N 0 0 350.216 2.998 20 10 FFCDRN O=C(Cn1nc(C(F)F)cc1C(F)F)NCCc1ccc(O)c(O)c1 ZINC000934939254 739869379 /nfs/dbraw/zinc/86/93/79/739869379.db2.gz QQKSJMRRGLYYPW-UHFFFAOYSA-N 0 0 361.295 2.528 20 10 FFCDRN Cc1[nH]nc(Br)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000934944372 739869642 /nfs/dbraw/zinc/86/96/42/739869642.db2.gz JRULXUWJWBHBHR-UHFFFAOYSA-N 0 0 364.243 2.995 20 10 FFCDRN COc1ccc(CNC(=O)COCc2nc3ccccc3s2)c(O)c1 ZINC000794387322 739885676 /nfs/dbraw/zinc/88/56/76/739885676.db2.gz IVAVVPKHNMQXRS-UHFFFAOYSA-N 0 0 358.419 2.844 20 10 FFCDRN Cc1nn(CC(F)F)cc1C(=O)NCc1cccc(Br)c1O ZINC000935663239 739990832 /nfs/dbraw/zinc/99/08/32/739990832.db2.gz PZQCVKFELPAHHM-UHFFFAOYSA-N 0 0 374.185 2.855 20 10 FFCDRN C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000795830283 740068394 /nfs/dbraw/zinc/06/83/94/740068394.db2.gz VAZSDUWONNHXHV-HBNTYKKESA-N 0 0 362.239 2.589 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cccc(OCC(F)F)n2)c(O)c1 ZINC000797644821 740261254 /nfs/dbraw/zinc/26/12/54/740261254.db2.gz CHPXERLKVHMVGZ-UHFFFAOYSA-N 0 0 353.325 2.761 20 10 FFCDRN CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1OCC ZINC000797820153 740276253 /nfs/dbraw/zinc/27/62/53/740276253.db2.gz ITORYIHNJILMJH-UHFFFAOYSA-N 0 0 367.423 2.999 20 10 FFCDRN Cc1cc(C(=O)O[C@H]2CCC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000798601078 740346025 /nfs/dbraw/zinc/34/60/25/740346025.db2.gz QABVMIRCXHRWDN-HNNXBMFYSA-N 0 0 360.797 2.710 20 10 FFCDRN Cc1cc(C(=O)O[C@@H]2CCC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000798604096 740346026 /nfs/dbraw/zinc/34/60/26/740346026.db2.gz OVPHKDBHHCOZAV-OAHLLOKOSA-N 0 0 360.797 2.710 20 10 FFCDRN COCC[C@H](CO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000799088135 740386965 /nfs/dbraw/zinc/38/69/65/740386965.db2.gz VMZUEBAFOKIVSU-OAHLLOKOSA-N 0 0 350.846 2.875 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1N1CCOCC1)C1=CC(=O)CS1 ZINC000799103790 740388260 /nfs/dbraw/zinc/38/82/60/740388260.db2.gz PDSBVCWTSNFTPF-UHFFFAOYSA-N 0 0 352.843 2.874 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1OC ZINC000799124140 740389320 /nfs/dbraw/zinc/38/93/20/740389320.db2.gz MCBNUPSVZJTFHO-UHFFFAOYSA-N 0 0 371.798 2.642 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000799774471 740450124 /nfs/dbraw/zinc/45/01/24/740450124.db2.gz ZXPTUJLOKNDJON-LBPRGKRZSA-N 0 0 351.424 2.757 20 10 FFCDRN C[C@@]1(CNC(=O)C2=CC(=O)CS2)CCN(C(=O)C2=CC(=O)CS2)C1 ZINC000799847328 740457935 /nfs/dbraw/zinc/45/79/35/740457935.db2.gz LIIXHRHJYGCDOW-INIZCTEOSA-N 0 0 366.464 2.503 20 10 FFCDRN C[C@H](CC(N)=O)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800718706 740544300 /nfs/dbraw/zinc/54/43/00/740544300.db2.gz CSYWECWDNQNRGB-QWHCGFSZSA-N 0 0 366.893 2.639 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cccc3c2OCO3)cc1 ZINC000800900096 740562275 /nfs/dbraw/zinc/56/22/75/740562275.db2.gz KZXXOIOWFKMGRR-UHFFFAOYSA-N 0 0 362.451 2.740 20 10 FFCDRN CC1(C)SC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000802530241 740708162 /nfs/dbraw/zinc/70/81/62/740708162.db2.gz VMTHZUJULYPSHM-ZBFHGGJFSA-N 0 0 350.484 2.977 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cccc2c1CCO2 ZINC000804240377 740856317 /nfs/dbraw/zinc/85/63/17/740856317.db2.gz MZJOINNCGBTLGJ-UHFFFAOYSA-N 0 0 358.781 2.949 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cccc([N+](=O)[O-])c1 ZINC000804734032 740900684 /nfs/dbraw/zinc/90/06/84/740900684.db2.gz AEPJMQXBDXLKBS-UHFFFAOYSA-N 0 0 351.156 2.993 20 10 FFCDRN Cc1nn(C)c(C)c1CCC(=O)NCc1cc(Br)ccc1O ZINC000804734042 740900707 /nfs/dbraw/zinc/90/07/07/740900707.db2.gz AMAFLLCZBWDWOS-UHFFFAOYSA-N 0 0 366.259 2.754 20 10 FFCDRN CC(C)(C)OC(=O)CCC(=O)NCc1cc(Br)ccc1O ZINC000804735921 740901122 /nfs/dbraw/zinc/90/11/22/740901122.db2.gz LHIJVJPWNBYGQY-UHFFFAOYSA-N 0 0 358.232 2.893 20 10 FFCDRN C[C@H]1CSC[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000804969309 740920891 /nfs/dbraw/zinc/92/08/91/740920891.db2.gz OZLXDRAOCKLZBJ-BBRMVZONSA-N 0 0 351.541 2.791 20 10 FFCDRN C[C@H](NS(=O)(=O)c1cnc(Cl)c(F)c1)c1ccc(N(C)C)cc1 ZINC000805067288 740934564 /nfs/dbraw/zinc/93/45/64/740934564.db2.gz OJBRWISTMJAIII-JTQLQIEISA-N 0 0 357.838 2.980 20 10 FFCDRN O=C(NCC[C@H]1CCCCO1)NCc1cc(Br)ccc1O ZINC000805275504 740955705 /nfs/dbraw/zinc/95/57/05/740955705.db2.gz DVWXOBFXMOHLIQ-CYBMUJFWSA-N 0 0 357.248 2.913 20 10 FFCDRN COc1cnc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000806515540 741066304 /nfs/dbraw/zinc/06/63/04/741066304.db2.gz ACYWEAVLFIWNKM-GFCCVEGCSA-N 0 0 362.455 2.871 20 10 FFCDRN COc1cc(NC(=O)NCc2cc(Br)ccc2O)ccn1 ZINC000806666865 741079592 /nfs/dbraw/zinc/07/95/92/741079592.db2.gz ZYHKKBIVKVGBQP-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1ccc2oc(=O)[nH]c2c1 ZINC000807416337 741133483 /nfs/dbraw/zinc/13/34/83/741133483.db2.gz CQEPAYGDXHCXQQ-UHFFFAOYSA-N 0 0 363.167 2.932 20 10 FFCDRN CC[C@H](CSC)NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000807911908 741171225 /nfs/dbraw/zinc/17/12/25/741171225.db2.gz CMVOWOPQCXAWSK-MRXNPFEDSA-N 0 0 365.543 2.749 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1S(=O)(=O)CC ZINC000808095187 741185915 /nfs/dbraw/zinc/18/59/15/741185915.db2.gz VHJQQSDSIQFGKK-UHFFFAOYSA-N 0 0 368.451 2.602 20 10 FFCDRN CC(=O)C(=O)COC(=O)CSc1cc(C)c(Br)cc1C ZINC000808489030 741229617 /nfs/dbraw/zinc/22/96/17/741229617.db2.gz ZORJFBDHMAOHJG-UHFFFAOYSA-N 0 0 359.241 2.859 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1cc(Br)sc1Br ZINC000808518289 741231606 /nfs/dbraw/zinc/23/16/06/741231606.db2.gz GFSUTRFPIHGMHL-UHFFFAOYSA-N 0 0 370.018 2.588 20 10 FFCDRN Nc1nccc([C@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)n1 ZINC000809665178 741330065 /nfs/dbraw/zinc/33/00/65/741330065.db2.gz PWMYRAPIRSQPEF-NSHDSACASA-N 0 0 363.259 2.907 20 10 FFCDRN COc1ccc(C[C@H](CO)C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1O ZINC000809747893 741339478 /nfs/dbraw/zinc/33/94/78/741339478.db2.gz HULCRXQBSPLSRV-LBPRGKRZSA-N 0 0 369.820 2.840 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)CCCOCc2ccccc2)cc1 ZINC000809806293 741345349 /nfs/dbraw/zinc/34/53/49/741345349.db2.gz JQLQWODILDLWBJ-UHFFFAOYSA-N 0 0 362.495 2.779 20 10 FFCDRN CC(C)(C)CCCS(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000809808940 741345706 /nfs/dbraw/zinc/34/57/06/741345706.db2.gz BRVZIIVLUGPFAX-UHFFFAOYSA-N 0 0 372.506 2.908 20 10 FFCDRN COCC[C@H](COC)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000810257393 741402322 /nfs/dbraw/zinc/40/23/22/741402322.db2.gz PQQOQYWWWPRXOF-NXEZZACHSA-N 0 0 350.228 2.996 20 10 FFCDRN COc1ccc(O)c(CNc2cc(C(N)=O)ccc2OCC(F)F)c1 ZINC000811520589 741533177 /nfs/dbraw/zinc/53/31/77/741533177.db2.gz ROAUTHREFKJIBH-UHFFFAOYSA-N 0 0 352.337 2.756 20 10 FFCDRN CN(C)c1cccnc1CNC(=S)Nc1ccc2c(c1)OCCCO2 ZINC000811709808 741550835 /nfs/dbraw/zinc/55/08/35/741550835.db2.gz MFIGFDAIRMFKSE-UHFFFAOYSA-N 0 0 358.467 2.796 20 10 FFCDRN CN1C(=O)/C(=C/c2cnn(CC(F)F)c2)c2cc(Br)cnc21 ZINC000814182439 741801734 /nfs/dbraw/zinc/80/17/34/741801734.db2.gz IBFJRWDYAXUIJL-BIIKFXOESA-N 0 0 369.169 2.823 20 10 FFCDRN CN(C)c1ccccc1N(C)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814386765 741817527 /nfs/dbraw/zinc/81/75/27/741817527.db2.gz OPKCSJXYJDBKRS-UHFFFAOYSA-N 0 0 366.830 2.767 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CC[C@@H](C(=O)N(C)C)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000815601315 741947730 /nfs/dbraw/zinc/94/77/30/741947730.db2.gz SMDGIMWHHWLYJE-MJVIPROJSA-N 0 0 360.376 2.697 20 10 FFCDRN C[C@@H](CO)NC(=O)c1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816597694 742046007 /nfs/dbraw/zinc/04/60/07/742046007.db2.gz BSSPVRQCWIYYBN-JTQLQIEISA-N 0 0 352.793 2.907 20 10 FFCDRN CC[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)CCO1 ZINC000817176579 742101650 /nfs/dbraw/zinc/10/16/50/742101650.db2.gz ISLKMLJSSVLDHX-STQMWFEESA-N 0 0 357.248 2.912 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)NC[C@H]3CSCCS3)cs2)cc1 ZINC000817940938 742223126 /nfs/dbraw/zinc/22/31/26/742223126.db2.gz PVSXAQKYDMEFSD-ZDUSSCGKSA-N 0 0 365.549 2.895 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]4COCC[C@H]43)cs2)cc1 ZINC000817961238 742224871 /nfs/dbraw/zinc/22/48/71/742224871.db2.gz ZMZMPPRMDGLSDF-RHSMWYFYSA-N 0 0 357.479 2.957 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]4COCC[C@H]43)cs2)cc1 ZINC000817961240 742224937 /nfs/dbraw/zinc/22/49/37/742224937.db2.gz ZMZMPPRMDGLSDF-WMLDXEAASA-N 0 0 357.479 2.957 20 10 FFCDRN CCOC(=O)[C@H](C)[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997892 742227946 /nfs/dbraw/zinc/22/79/46/742227946.db2.gz ZEYKOUBMYDZSOV-NEPJUHHUSA-N 0 0 361.467 2.634 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)C(F)(F)c3nccs3)C2)cc1 ZINC000819587695 742411474 /nfs/dbraw/zinc/41/14/74/742411474.db2.gz HAZPPAMGYMHSQW-LBPRGKRZSA-N 0 0 367.421 2.886 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000819692601 742424265 /nfs/dbraw/zinc/42/42/65/742424265.db2.gz BJYZLCSRBUUZPD-UHFFFAOYSA-N 0 0 364.379 2.567 20 10 FFCDRN COCc1cnc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000823333085 742883990 /nfs/dbraw/zinc/88/39/90/742883990.db2.gz SLRCYPSSGIXCCA-GFCCVEGCSA-N 0 0 362.455 2.699 20 10 FFCDRN O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c2ccccc21 ZINC000824514672 743097484 /nfs/dbraw/zinc/09/74/84/743097484.db2.gz BIHJJPUTIDUOAK-LLVKDONJSA-N 0 0 355.818 2.845 20 10 FFCDRN Cc1cc(O)c(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1Cl ZINC000824555741 743103985 /nfs/dbraw/zinc/10/39/85/743103985.db2.gz IMBNMNCVMBENFL-UHFFFAOYSA-N 0 0 362.817 2.979 20 10 FFCDRN CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(OC)cc(C(C)(C)C)c1O ZINC000824814959 743153828 /nfs/dbraw/zinc/15/38/28/743153828.db2.gz WZHZCCRHAGAMBL-ZDUSSCGKSA-N 0 0 357.516 2.953 20 10 FFCDRN CS(=O)(=O)C[C@H]1CCCCN1Cc1cc(Br)ccc1O ZINC000824914316 743177660 /nfs/dbraw/zinc/17/76/60/743177660.db2.gz PEYKGOGOZGBOGE-CYBMUJFWSA-N 0 0 362.289 2.554 20 10 FFCDRN CC[C@@H](NCc1nn(C)cc1I)c1ccccc1O ZINC000825079244 743206214 /nfs/dbraw/zinc/20/62/14/743206214.db2.gz OWNVMAQVSGVEOB-GFCCVEGCSA-N 0 0 371.222 2.971 20 10 FFCDRN CC[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@@]2(CCOC2)O1 ZINC000825748425 743321598 /nfs/dbraw/zinc/32/15/98/743321598.db2.gz AJSZJYBUBLNYGA-GDBMZVCRSA-N 0 0 356.260 2.925 20 10 FFCDRN CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000826938265 743473783 /nfs/dbraw/zinc/47/37/83/743473783.db2.gz VCKJYJUJLHEZTR-LLVKDONJSA-N 0 0 353.390 2.821 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)CCC[C@@H]2CCOC2)cc1 ZINC000827013050 743488790 /nfs/dbraw/zinc/48/87/90/743488790.db2.gz LIZAFVWTVOPELO-QGZVFWFLSA-N 0 0 354.516 2.769 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000827049957 743494850 /nfs/dbraw/zinc/49/48/50/743494850.db2.gz VTKDZTRTZQEOMV-SFHVURJKSA-N 0 0 352.500 2.521 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C=O)cn1C ZINC000827081452 743501750 /nfs/dbraw/zinc/50/17/50/743501750.db2.gz JKJRKTPZMVJFEY-UHFFFAOYSA-N 0 0 365.227 2.968 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cccc(Cn2ccnn2)c1 ZINC000827475100 743584350 /nfs/dbraw/zinc/58/43/50/743584350.db2.gz RPDMQXBXABVHRU-UHFFFAOYSA-N 0 0 359.480 2.695 20 10 FFCDRN CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000827750378 744970970 /nfs/dbraw/zinc/97/09/70/744970970.db2.gz FURCGWYNWFMCEI-DYVFJYSZSA-N 0 0 352.387 2.521 20 10 FFCDRN C[NH+](C)CCC[C@H]1CN(Cc2cccc(Br)c2[O-])CCO1 ZINC000827855384 744991618 /nfs/dbraw/zinc/99/16/18/744991618.db2.gz BPASDDLAVNSXHB-AWEZNQCLSA-N 0 0 357.292 2.697 20 10 FFCDRN C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1)c1ccccc1O ZINC000827930625 745003190 /nfs/dbraw/zinc/00/31/90/745003190.db2.gz NOCOEDWNGDBDOS-CJNGLKHVSA-N 0 0 358.463 2.865 20 10 FFCDRN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC000827962786 745007920 /nfs/dbraw/zinc/00/79/20/745007920.db2.gz SNSYBMLNLZTDGU-UGSOOPFHSA-N 0 0 358.404 2.907 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@@](F)(CO)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829524954 745217534 /nfs/dbraw/zinc/21/75/34/745217534.db2.gz VUHYJWNUIDUAOH-SFHVURJKSA-N 0 0 365.836 2.732 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](OC)C3CCCC3)CC2)cc1F ZINC000829869438 745272370 /nfs/dbraw/zinc/27/23/70/745272370.db2.gz QEZZILSWGBXCSS-GOSISDBHSA-N 0 0 350.434 2.688 20 10 FFCDRN CC(C)(C)OC(=O)[C@H](C(=O)NCCc1ccc(O)c(O)c1)C(C)(C)C ZINC000830531245 745376487 /nfs/dbraw/zinc/37/64/87/745376487.db2.gz FZOLSCIQFBVATP-HNNXBMFYSA-N 0 0 351.443 2.761 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000830535920 745377135 /nfs/dbraw/zinc/37/71/35/745377135.db2.gz XXZVDGPIEJYCCP-LJQANCHMSA-N 0 0 362.495 2.868 20 10 FFCDRN CC[C@@H](C(=O)NCc1cccc(OC)c1O)N(C)C(=O)OC(C)(C)C ZINC000830541179 745377488 /nfs/dbraw/zinc/37/74/88/745377488.db2.gz UCVQTCPPVQCBBL-ZDUSSCGKSA-N 0 0 352.431 2.663 20 10 FFCDRN Nc1nc(Cl)ccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000830899544 745447630 /nfs/dbraw/zinc/44/76/30/745447630.db2.gz GXJKGOIRENRKGV-ZDUSSCGKSA-N 0 0 361.829 2.844 20 10 FFCDRN Cc1ccc(S(=O)(=O)C2CCN(C(=O)C3=CC(=O)CS3)CC2)cc1 ZINC000831693219 745569780 /nfs/dbraw/zinc/56/97/80/745569780.db2.gz RIBJUVMETYKHHK-UHFFFAOYSA-N 0 0 365.476 2.841 20 10 FFCDRN Nc1ccc(CC(=O)Nc2ccc(CN3CCOCC3)c(Cl)c2)cc1 ZINC000831993528 745615832 /nfs/dbraw/zinc/61/58/32/745615832.db2.gz UWVNNSRYHNGDRQ-UHFFFAOYSA-N 0 0 359.857 2.936 20 10 FFCDRN COC(=O)c1cnc(SC[C@H](O)COCc2ccc(OC)cc2)s1 ZINC000834382291 745828040 /nfs/dbraw/zinc/82/80/40/745828040.db2.gz JIJKDKZLJLDCHX-GFCCVEGCSA-N 0 0 369.464 2.608 20 10 FFCDRN COC1(CNC(=O)NCc2cc(Br)ccc2O)CCCC1 ZINC000836502697 746240225 /nfs/dbraw/zinc/24/02/25/746240225.db2.gz NFAZYPSJBRCADG-UHFFFAOYSA-N 0 0 357.248 2.913 20 10 FFCDRN CC[C@@H](NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C)C(=O)NC ZINC000837162247 746382732 /nfs/dbraw/zinc/38/27/32/746382732.db2.gz ISYMCSRNEZJMJP-QGZVFWFLSA-N 0 0 361.873 2.931 20 10 FFCDRN C[C@@H](CC(C)(C)O)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837651659 746492874 /nfs/dbraw/zinc/49/28/74/746492874.db2.gz OHBPSZLFQXRWFT-AWEZNQCLSA-N 0 0 351.516 2.589 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc(Cl)ccn1 ZINC000837704404 746502959 /nfs/dbraw/zinc/50/29/59/746502959.db2.gz MLBJDKCZAXPHTC-UHFFFAOYSA-N 0 0 367.783 2.780 20 10 FFCDRN CSC1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCC1 ZINC000837710199 746503864 /nfs/dbraw/zinc/50/38/64/746503864.db2.gz IQMMBMVGYKRJLU-UHFFFAOYSA-N 0 0 356.438 2.703 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000838477115 746646949 /nfs/dbraw/zinc/64/69/49/746646949.db2.gz DQPBPOQFTCMKMO-HIFRSBDPSA-N 0 0 359.392 2.516 20 10 FFCDRN CC(C)O[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000838741460 746704014 /nfs/dbraw/zinc/70/40/14/746704014.db2.gz 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O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCC(=O)C1 ZINC000843784129 747893822 /nfs/dbraw/zinc/89/38/22/747893822.db2.gz LEHLSWJLSVNVBH-LBPRGKRZSA-N 0 0 352.381 2.742 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2cc3cnccc3o2)SC1=S ZINC000844269372 747994383 /nfs/dbraw/zinc/99/43/83/747994383.db2.gz VRKOSYDJWSAODE-JYRVWZFOSA-N 0 0 362.432 2.982 20 10 FFCDRN COCCn1nc(C)c(NC(=O)NCc2cc(Cl)ccc2O)c1C ZINC000844604541 748059037 /nfs/dbraw/zinc/05/90/37/748059037.db2.gz UCMSHFAJOZAJJA-UHFFFAOYSA-N 0 0 352.822 2.827 20 10 FFCDRN O=C(NCCC(=O)N1CCCCCC1)NCc1cc(Cl)ccc1O ZINC000844934965 748140464 /nfs/dbraw/zinc/14/04/64/748140464.db2.gz BYVVCQIQDUPMGO-UHFFFAOYSA-N 0 0 353.850 2.638 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CSCCS2)cc1 ZINC000845028879 748163925 /nfs/dbraw/zinc/16/39/25/748163925.db2.gz DWWHPGJHVOEXSB-INIZCTEOSA-N 0 0 369.556 2.621 20 10 FFCDRN CSc1ccnc(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000845561591 748282386 /nfs/dbraw/zinc/28/23/86/748282386.db2.gz VENCNIYOGXULNH-UHFFFAOYSA-N 0 0 352.410 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C[C@H](NC(=O)N(C)CC1=CCSC1)c1ccc(N2CCOCC2)cc1 ZINC000852013559 749751682 /nfs/dbraw/zinc/75/16/82/749751682.db2.gz VMVZDRRSGKHMKM-HNNXBMFYSA-N 0 0 361.511 2.899 20 10 FFCDRN CS[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000852153665 749788369 /nfs/dbraw/zinc/78/83/69/749788369.db2.gz WNLSZQGNPMGOBL-QAPCUYQASA-N 0 0 363.527 2.731 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCCc3nccs3)C2)cc1 ZINC000852345469 749840521 /nfs/dbraw/zinc/84/05/21/749840521.db2.gz PVRCYBQJDUDKSD-CQSZACIVSA-N 0 0 360.483 2.662 20 10 FFCDRN Cc1nnc(CN(C)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000852384776 749851016 /nfs/dbraw/zinc/85/10/16/749851016.db2.gz HTELPHDSEJEHNH-CYBMUJFWSA-N 0 0 361.515 2.994 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCC3SCCS3)CC2)cc1 ZINC000852664429 749916057 /nfs/dbraw/zinc/91/60/57/749916057.db2.gz FPQWCNYRNMIYGX-UHFFFAOYSA-N 0 0 367.540 2.769 20 10 FFCDRN CN(C)S(=O)(=O)c1ccccc1NCCCSc1nccs1 ZINC000853326707 750048724 /nfs/dbraw/zinc/04/87/24/750048724.db2.gz KMDWRXHWNOGBIL-UHFFFAOYSA-N 0 0 357.526 2.988 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)[C@@](C)(CO)C2)cc1F ZINC000853707259 750140812 /nfs/dbraw/zinc/14/08/12/750140812.db2.gz ZCCORICDEFOLIU-IFXJQAMLSA-N 0 0 351.466 2.832 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H](OC)[C@H]1CCOC1 ZINC000854276224 750274472 /nfs/dbraw/zinc/27/44/72/750274472.db2.gz VUFMZQKOAZPXSK-FUHWJXTLSA-N 0 0 350.459 2.755 20 10 FFCDRN NC(=O)COc1ccc(NCc2cccc(Br)c2O)cc1 ZINC000048796137 845178681 /nfs/dbraw/zinc/17/86/81/845178681.db2.gz QYIZDKJFJXJOAB-UHFFFAOYSA-N 0 0 351.200 2.631 20 10 FFCDRN C[C@H](Sc1nccs1)C(=O)N(C)C[C@@H]1COc2ccccc2O1 ZINC000052914511 845264722 /nfs/dbraw/zinc/26/47/22/845264722.db2.gz UTCLFNCKXKAJIH-NWDGAFQWSA-N 0 0 350.465 2.922 20 10 FFCDRN O=C(CSc1nccs1)NCc1ccccc1CN1CCCC1=O ZINC000055181520 845324905 /nfs/dbraw/zinc/32/49/05/845324905.db2.gz YMSCBUFACREDRP-UHFFFAOYSA-N 0 0 361.492 2.674 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2cccc3nsnc32)cc1OC ZINC000063616753 845468939 /nfs/dbraw/zinc/46/89/39/845468939.db2.gz 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Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000843800119 976567800 /nfs/dbraw/zinc/56/78/00/976567800.db2.gz PQWJSTJMTJQGHM-IYBDPMFKSA-N 0 0 361.486 2.981 20 10 FFCDRN C[C@H]1C[C@@H]1C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981598161 976636954 /nfs/dbraw/zinc/63/69/54/976636954.db2.gz ASCXNLSDZRKVJT-RKLWJJNISA-N 0 0 371.441 2.520 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCc3cccnc3C)CC2)cc1 ZINC000898932051 976786154 /nfs/dbraw/zinc/78/61/54/976786154.db2.gz FJDHALWSNOBCDO-UHFFFAOYSA-N 0 0 368.481 2.863 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc2[nH]cnc2c1F ZINC000898983340 976830562 /nfs/dbraw/zinc/83/05/62/976830562.db2.gz SEYWGNRQAUXEIK-UHFFFAOYSA-N 0 0 368.412 2.593 20 10 FFCDRN CN(C)c1ccc([C@@H](O)c2nc(-c3ccc(C4OCCO4)cc3)no2)cc1 ZINC001211704342 977079294 /nfs/dbraw/zinc/07/92/94/977079294.db2.gz UCYLLGNHHNQAMQ-QGZVFWFLSA-N 0 0 367.405 2.930 20 10 FFCDRN Cc1cc(C(=O)CN(CCO)[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000796580617 1014410828 /nfs/dbraw/zinc/41/08/28/1014410828.db2.gz RFXWCXPZKZWHJB-OXQOHEQNSA-N 0 0 374.456 2.888 20 10 FFCDRN Cc1cscc1NC(=O)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000126220645 1014410979 /nfs/dbraw/zinc/41/09/79/1014410979.db2.gz NOGRXEYJHZTRQZ-AWEZNQCLSA-N 0 0 373.478 2.709 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCOc2cccc(Br)c2C1 ZINC001143547075 977632329 /nfs/dbraw/zinc/63/23/29/977632329.db2.gz DUDSORXLTPZXML-UHFFFAOYSA-N 0 0 364.195 2.895 20 10 FFCDRN COc1cc(NC(=O)CN(C)Cc2cc(C)cc(OC)c2O)cc(OC)c1 ZINC000894088355 977658091 /nfs/dbraw/zinc/65/80/91/977658091.db2.gz LBVFKGXCQYZHFK-UHFFFAOYSA-N 0 0 374.437 2.797 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H](OCCO)C2)c(C)n1-c1ccc(F)cc1 ZINC000178686649 977732290 /nfs/dbraw/zinc/73/22/90/977732290.db2.gz IUYKLKOYATXIIB-GOSISDBHSA-N 0 0 360.429 2.847 20 10 FFCDRN Cc1cccc2c1C[C@@H](C(=O)NCc1ccc(N3CCC(O)CC3)cc1)N2 ZINC000876975899 1014438068 /nfs/dbraw/zinc/43/80/68/1014438068.db2.gz FWXLPUZUJYFYBW-NRFANRHFSA-N 0 0 365.477 2.609 20 10 FFCDRN O=C([C@H](Cc1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-])N1CCCC1 ZINC000876998435 1014445676 /nfs/dbraw/zinc/44/56/76/1014445676.db2.gz HBMFJIGEMXMSQT-KRWDZBQOSA-N 0 0 360.404 2.994 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000728949642 978034469 /nfs/dbraw/zinc/03/44/69/978034469.db2.gz AZJRPOHEFFUZND-KBPBESRZSA-N 0 0 369.421 2.567 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCOc2ccc3c(c2)OCO3)c1 ZINC000728949199 978038902 /nfs/dbraw/zinc/03/89/02/978038902.db2.gz PNUMUDIHACCEBZ-LBPRGKRZSA-N 0 0 374.393 2.569 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCC(=O)N2CCCCCC2)c1 ZINC000728953279 978112572 /nfs/dbraw/zinc/11/25/72/978112572.db2.gz WRJKPCOUFASODZ-CQSZACIVSA-N 0 0 363.458 2.554 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cn(-c3ccc(C)cc3)nn2)c1 ZINC000728977755 978136629 /nfs/dbraw/zinc/13/66/29/978136629.db2.gz CJMCULBMQSVTOG-CYBMUJFWSA-N 0 0 352.394 2.781 20 10 FFCDRN CCc1[nH]c(C(=O)N[C@H](C)c2cc(OC)ccc2O)c(C)c1C(=O)OC ZINC000728983710 978146886 /nfs/dbraw/zinc/14/68/86/978146886.db2.gz CRIYWLWFDRUVAL-LLVKDONJSA-N 0 0 360.410 2.877 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)C1(C(=O)NC2CC2)CCC1 ZINC000729345874 978248163 /nfs/dbraw/zinc/24/81/63/978248163.db2.gz AQGXPKYJKFSLSY-UHFFFAOYSA-N 0 0 355.482 2.742 20 10 FFCDRN O=C(Cc1cnn2c1CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866898903 978376582 /nfs/dbraw/zinc/37/65/82/978376582.db2.gz ZQLOWCVHNYJXIB-SFHVURJKSA-N 0 0 369.465 2.675 20 10 FFCDRN COC(=O)[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1ccccc1 ZINC000877355991 1014560179 /nfs/dbraw/zinc/56/01/79/1014560179.db2.gz QHGWUXBXGLCMLE-HXUWFJFHSA-N 0 0 354.450 2.652 20 10 FFCDRN CN1C(=O)COc2cc(NCc3ccc(N4CCC(O)CC4)cc3)ccc21 ZINC000877497170 1014600439 /nfs/dbraw/zinc/60/04/39/1014600439.db2.gz IDJFRCNMRYHFGM-UHFFFAOYSA-N 0 0 367.449 2.615 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)N[C@@H](CC3CCOCC3)C2=O)cc1 ZINC000904148605 980200705 /nfs/dbraw/zinc/20/07/05/980200705.db2.gz PWKSDJRPVOGKAE-SFHVURJKSA-N 0 0 359.470 2.770 20 10 FFCDRN COc1ccc(N2CCC([NH2+][C@H]3C[C@@H](NC(=O)[O-])C34CCC4)CC2)cc1 ZINC000904216136 980215772 /nfs/dbraw/zinc/21/57/72/980215772.db2.gz MYZHPXOOROEASC-ZWKOTPCHSA-N 0 0 359.470 2.832 20 10 FFCDRN CNC(=O)c1ccc(C)c(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000729036547 980222262 /nfs/dbraw/zinc/22/22/62/980222262.db2.gz BLUONRNSVCEVIC-GFCCVEGCSA-N 0 0 357.410 2.952 20 10 FFCDRN CN(C)c1ccc([C@H](C[NH2+][C@@H]2C[C@@H](NC(=O)[O-])C23CCC3)N(C)C)cc1 ZINC000904273047 980228161 /nfs/dbraw/zinc/22/81/61/980228161.db2.gz POOYPUWZTBVMLT-RCCFBDPRSA-N 0 0 360.502 2.524 20 10 FFCDRN CCOC(=O)CN(Cc1cc2c(cc[nH]c2=O)o1)Cc1ccccc1O ZINC000877598704 1014640247 /nfs/dbraw/zinc/64/02/47/1014640247.db2.gz JOWOISRSKPIYEP-UHFFFAOYSA-N 0 0 356.378 2.804 20 10 FFCDRN CCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1C1CC1 ZINC000905103707 980383015 /nfs/dbraw/zinc/38/30/15/980383015.db2.gz CBRGTUACOZXTLS-UHFFFAOYSA-N 0 0 354.454 2.751 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc3n(n2)CCCC3=O)cc1 ZINC000905457439 980448036 /nfs/dbraw/zinc/44/80/36/980448036.db2.gz RXNSQCXFZSBMPY-UHFFFAOYSA-N 0 0 354.454 2.978 20 10 FFCDRN CCC(CC)CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000729605469 980533813 /nfs/dbraw/zinc/53/38/13/980533813.db2.gz BMQPVVPCUHTCLW-UHFFFAOYSA-N 0 0 362.518 2.553 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc2[nH]c(=O)oc21 ZINC000888171271 981065416 /nfs/dbraw/zinc/06/54/16/981065416.db2.gz DPRCFKKMXPDFID-UHFFFAOYSA-N 0 0 368.393 2.692 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc3n(n2)CCCC3=O)cc1F ZINC000906628190 981113827 /nfs/dbraw/zinc/11/38/27/981113827.db2.gz ONALJNLKKRGTCV-UHFFFAOYSA-N 0 0 358.417 2.775 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)c1ccccc1C(F)(F)F ZINC000907274137 981218216 /nfs/dbraw/zinc/21/82/16/981218216.db2.gz PQRTZUFIEAXPAC-HWPZZCPQSA-N 0 0 369.339 2.897 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2cccnn2)n1C ZINC000908564127 981467575 /nfs/dbraw/zinc/46/75/75/981467575.db2.gz VWMLFPGMIHJFTM-UHFFFAOYSA-N 0 0 363.469 2.899 20 10 FFCDRN CN(c1ccc(CNC(=O)NCC(C)(C)C(N)=O)cc1)C1CCCCC1 ZINC000067720796 981583964 /nfs/dbraw/zinc/58/39/64/981583964.db2.gz WBNVKKTYVRAMTR-UHFFFAOYSA-N 0 0 360.502 2.766 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H]2NC(C)(C)C(=O)N2CC2CCCCC2)c1 ZINC000877857466 1014751070 /nfs/dbraw/zinc/75/10/70/1014751070.db2.gz ROWPRVOXPVJDRO-QGZVFWFLSA-N 0 0 360.454 2.968 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C[N@H+](C)C2Cc3ccccc3C2)cc1 ZINC000138440229 981918431 /nfs/dbraw/zinc/91/84/31/981918431.db2.gz XWBYEZHXOXWSRJ-UHFFFAOYSA-N 0 0 351.494 2.810 20 10 FFCDRN CCN1C(=O)C[C@H](C(=O)NCc2ccc(O)cc2O)[C@H]1c1cccc(C)c1 ZINC000910958012 982100918 /nfs/dbraw/zinc/10/09/18/982100918.db2.gz VRRYXDFRRDFMSP-FXAWDEMLSA-N 0 0 368.433 2.632 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4[nH]ccc4n3)C2)cc1 ZINC000911277869 982186525 /nfs/dbraw/zinc/18/65/25/982186525.db2.gz XUCQVAPHNGUQDI-AWEZNQCLSA-N 0 0 350.422 2.828 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000911308209 982200270 /nfs/dbraw/zinc/20/02/70/982200270.db2.gz DZXCSMIGXUHNMF-OAHLLOKOSA-N 0 0 361.438 2.633 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@H]12 ZINC000897713157 982489247 /nfs/dbraw/zinc/48/92/47/982489247.db2.gz YLQGVHSDDJKSKV-OGWHTMIXSA-N 0 0 373.497 2.872 20 10 FFCDRN Cn1nc(CNCc2ccc(N3CCC(O)CC3)cc2)cc1C(F)(F)F ZINC000898021082 982592681 /nfs/dbraw/zinc/59/26/81/982592681.db2.gz SUEONZPPTAALJG-UHFFFAOYSA-N 0 0 368.403 2.690 20 10 FFCDRN Fc1cc(CNc2ccnn2[C@@H]2CCCOC2)ccc1N1CCOCC1 ZINC000898095787 982624146 /nfs/dbraw/zinc/62/41/46/982624146.db2.gz YZNQYKDXLCSLDK-MRXNPFEDSA-N 0 0 360.433 2.822 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc([N+](=O)[O-])c2cccnc12 ZINC000185386772 983854295 /nfs/dbraw/zinc/85/42/95/983854295.db2.gz NBEXMYCWISEORY-NSHDSACASA-N 0 0 367.361 2.915 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H](O)c2ccccc2)cc1 ZINC000072841457 983888412 /nfs/dbraw/zinc/88/84/12/983888412.db2.gz IKLSJRWXAHXWEV-SFTDATJTSA-N 0 0 368.477 2.994 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCc2c1cccc2F ZINC000185507972 983899467 /nfs/dbraw/zinc/89/94/67/983899467.db2.gz KQBFWBNHBUDRDM-UHFFFAOYSA-N 0 0 367.424 2.631 20 10 FFCDRN CCn1nc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1C1CC1 ZINC000911892746 983916691 /nfs/dbraw/zinc/91/66/91/983916691.db2.gz NJQWFPRNVMUGTE-UHFFFAOYSA-N 0 0 356.470 2.997 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)c2cccc(F)c2)cc1 ZINC000785424122 983922642 /nfs/dbraw/zinc/92/26/42/983922642.db2.gz LXAHQKBYOHMJIR-UHFFFAOYSA-N 0 0 371.456 2.602 20 10 FFCDRN Cc1cc(C(=O)CN2CCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccccc1 ZINC000763916106 983924456 /nfs/dbraw/zinc/92/44/56/983924456.db2.gz IITUROIPENNRHL-GOSISDBHSA-N 0 0 374.506 2.786 20 10 FFCDRN Cc1nc(C(C)C)ncc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000878386998 1015020265 /nfs/dbraw/zinc/02/02/65/1015020265.db2.gz LLJSJWUSBQCKBD-UHFFFAOYSA-N 0 0 354.454 2.675 20 10 FFCDRN NC(=O)c1ccc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1F ZINC000151441904 984291242 /nfs/dbraw/zinc/29/12/42/984291242.db2.gz ARYVZWXSRHDTNR-UHFFFAOYSA-N 0 0 354.385 2.623 20 10 FFCDRN Cc1cc(N(C)C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)ccc1O ZINC000913530462 984292946 /nfs/dbraw/zinc/29/29/46/984292946.db2.gz JJGKEUORYZWWIK-YVMONPNESA-N 0 0 366.421 2.996 20 10 FFCDRN Cc1cccc([C@H](C)CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000785427234 984405394 /nfs/dbraw/zinc/40/53/94/984405394.db2.gz BEPJTZLWCPCIOG-MRXNPFEDSA-N 0 0 353.466 2.597 20 10 FFCDRN Cc1n[nH]cc1CCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000045539408 984457103 /nfs/dbraw/zinc/45/71/03/984457103.db2.gz HOSNMGHGYCXVSI-UHFFFAOYSA-N 0 0 373.526 2.703 20 10 FFCDRN O=C(NCc1ccc(F)cn1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000764376053 984462376 /nfs/dbraw/zinc/46/23/76/984462376.db2.gz FUCKWMKYBFHFCN-KRWDZBQOSA-N 0 0 359.401 2.817 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)NCc3cccc(Cl)c3)CC2)cc1 ZINC000057547907 984503542 /nfs/dbraw/zinc/50/35/42/984503542.db2.gz PVGNIHUNCCIFFX-UHFFFAOYSA-N 0 0 373.884 2.787 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)NCCCc3ccccc3)CC2)cc1 ZINC000057548534 984503753 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CC1CCN(c2ccc(CNC(=O)NCc3ccc(N)cc3)cn2)CC1 ZINC001120478410 1023335289 /nfs/dbraw/zinc/33/52/89/1023335289.db2.gz UEVSFLXEYLXMIZ-UHFFFAOYSA-N 0 0 353.470 2.900 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CN3CCc4ccccc43)CC2)cc1F ZINC000753741187 1023373700 /nfs/dbraw/zinc/37/37/00/1023373700.db2.gz DCFVFJSEMFZEAG-UHFFFAOYSA-N 0 0 369.440 2.546 20 10 FFCDRN C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)NCc1ccc(N)cc1 ZINC001120592306 1023376054 /nfs/dbraw/zinc/37/60/54/1023376054.db2.gz VIFMRDWKEOPGML-CYBMUJFWSA-N 0 0 354.458 2.804 20 10 FFCDRN COC[C@H](Cn1cncn1)OC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000779231846 1023404853 /nfs/dbraw/zinc/40/48/53/1023404853.db2.gz WLISVBAEDGZKAP-KRWDZBQOSA-N 0 0 368.437 2.866 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(F)ncc1C ZINC001137817519 1033143354 /nfs/dbraw/zinc/14/33/54/1033143354.db2.gz ARPWWDFSYUOSPW-UHFFFAOYSA-N 0 0 366.776 2.704 20 10 FFCDRN C[C@@H]1CSCCN1c1nnc(C2SC=CC2=O)n1C[C@H]1CCOC1 ZINC001123126346 1023646386 /nfs/dbraw/zinc/64/63/86/1023646386.db2.gz LZCLFLIDFIUOOB-VXGBXAGGSA-N 0 0 366.512 2.690 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc3[nH]ccc32)cc1 ZINC000077719259 1023668892 /nfs/dbraw/zinc/66/88/92/1023668892.db2.gz MYUDFQSRTRDMBT-UHFFFAOYSA-N 0 0 350.422 2.831 20 10 FFCDRN COc1c(OC[C@H]2C[C@@H](O)C2)c(C)cc2c1C(=O)c1c(O)cccc1C2=O ZINC001218434479 1033154794 /nfs/dbraw/zinc/15/47/94/1033154794.db2.gz KASVBJALLHTRER-TXEJJXNPSA-N 0 0 368.385 2.634 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3CCO[C@H](C(C)C)C3)CC2)cc1 ZINC000779342036 1023703329 /nfs/dbraw/zinc/70/33/29/1023703329.db2.gz SCOWJEQRXYMMCQ-IBGZPJMESA-N 0 0 361.486 2.730 20 10 FFCDRN Cc1ccc(C(=O)O[C@H]2CCN(c3c(F)cccc3F)C2=O)c(O)c1O ZINC000756397878 1023704687 /nfs/dbraw/zinc/70/46/87/1023704687.db2.gz UXVQTYKLNCYHEI-ZDUSSCGKSA-N 0 0 363.316 2.647 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2COc3c(cccc3OC)C2)c1 ZINC000756539695 1023724473 /nfs/dbraw/zinc/72/44/73/1023724473.db2.gz RKEITXNBJKJQPT-WFASDCNBSA-N 0 0 357.406 2.842 20 10 FFCDRN CC(C)CNC(=O)N1CCC[C@@H](CC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000078073844 1023725388 /nfs/dbraw/zinc/72/53/88/1023725388.db2.gz WGUSFHMUWLEMEN-SFHVURJKSA-N 0 0 374.529 2.837 20 10 FFCDRN CCOC(=O)c1ccccc1NC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000756653598 1023740267 /nfs/dbraw/zinc/74/02/67/1023740267.db2.gz MBVZRDBPUFCXAB-UHFFFAOYSA-N 0 0 356.378 2.667 20 10 FFCDRN Cc1cc(C(=O)COC(=O)CCc2nnc[nH]2)c(C)n1-c1ccc(C)cc1 ZINC000756761334 1023753330 /nfs/dbraw/zinc/75/33/30/1023753330.db2.gz QYJKIZMLXLTXRK-UHFFFAOYSA-N 0 0 366.421 2.879 20 10 FFCDRN CC[C@H]1CCC[C@H]1NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000756929302 1023771126 /nfs/dbraw/zinc/77/11/26/1023771126.db2.gz MJZOVQKMUASFHP-FXAWDEMLSA-N 0 0 374.529 2.695 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCCO[C@H]2CCOC2)cc1 ZINC000756962631 1023774536 /nfs/dbraw/zinc/77/45/36/1023774536.db2.gz CZTHZDNFRYPYRE-IBGZPJMESA-N 0 0 363.502 2.870 20 10 FFCDRN CC[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000756986859 1023776404 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COc1ccc(C2(NC(=O)/C=C\c3ccc(O)c(O)c3)CCOCC2)cc1 ZINC000779507687 1023945375 /nfs/dbraw/zinc/94/53/75/1023945375.db2.gz DHEQXUYTYCVBDB-OQFOIZHKSA-N 0 0 369.417 2.942 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H]1[C@@H](C)n2nccc2N[C@H]1C ZINC001123778758 1024016030 /nfs/dbraw/zinc/01/60/30/1024016030.db2.gz CYRDMSKNSRPDSR-HLPPOEQASA-N 0 0 372.469 2.813 20 10 FFCDRN Oc1cccc(F)c1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001137837536 1033179826 /nfs/dbraw/zinc/17/98/26/1033179826.db2.gz KWAHOPOEBJRDNY-UHFFFAOYSA-N 0 0 362.352 2.724 20 10 FFCDRN COC(=O)c1cccc(CC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000758407369 1024101225 /nfs/dbraw/zinc/10/12/25/1024101225.db2.gz GROUGBMIJMTHGN-UHFFFAOYSA-N 0 0 352.434 2.932 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2cccc(O)c2O)CC1 ZINC001123978966 1024193574 /nfs/dbraw/zinc/19/35/74/1024193574.db2.gz YNIHHHKRDFSMLP-CYBMUJFWSA-N 0 0 364.442 2.751 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc4c(c3)NCC4)C2)cc1 ZINC001121999796 1024251231 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COC[C@@H]1c2nnn(C)c2CCN1Cc1cc(C)n(-c2ccccc2)c1C ZINC001137856257 1033222859 /nfs/dbraw/zinc/22/28/59/1033222859.db2.gz WJZOZYHAIJRZNB-HXUWFJFHSA-N 0 0 365.481 2.968 20 10 FFCDRN C[C@H](NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000759595734 1024679870 /nfs/dbraw/zinc/67/98/70/1024679870.db2.gz LPHOOMRXVLTCQS-KBNZMGLGSA-N 0 0 359.353 2.671 20 10 FFCDRN Cc1ccc(N2CCC(C(=O)NCc3ccc(N(C)C)cc3)CC2)nc1 ZINC000194071513 1024739229 /nfs/dbraw/zinc/73/92/29/1024739229.db2.gz RQQSLONLBFHGKZ-UHFFFAOYSA-N 0 0 352.482 2.989 20 10 FFCDRN COC(=O)[C@@]1(C)CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000759752446 1024765338 /nfs/dbraw/zinc/76/53/38/1024765338.db2.gz VHRNVOWIIRXOKK-NRFANRHFSA-N 0 0 369.417 2.714 20 10 FFCDRN O=C(c1ccn(CC(F)F)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000194394269 1024795230 /nfs/dbraw/zinc/79/52/30/1024795230.db2.gz ZMISQHGUMBFPAB-AWEZNQCLSA-N 0 0 365.380 2.675 20 10 FFCDRN COc1ccc(N2CCN(C[C@@H](O)c3ccc(F)cc3F)CC2)cc1F ZINC000084866432 1025152616 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FFCDRN CCN(CC)c1nnc(-c2cnccn2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001501868645 1058721712 /nfs/dbraw/zinc/72/17/12/1058721712.db2.gz RMEUMARIGMHVDW-UHFFFAOYSA-N 0 0 369.448 2.835 20 10 FFCDRN COc1ccc(N2CCCN(c3nnc(-c4nccs4)n3C)CC2)cc1 ZINC001519448043 1058749883 /nfs/dbraw/zinc/74/98/83/1058749883.db2.gz LBHPWYQWAZQTOC-UHFFFAOYSA-N 0 0 370.482 2.664 20 10 FFCDRN CC(=O)Nc1cccc2c1CN(c1nnc(C3SC=CC3=O)n1C)CC2 ZINC001519505826 1058792454 /nfs/dbraw/zinc/79/24/54/1058792454.db2.gz KHLWKBDZBFTGTQ-UHFFFAOYSA-N 0 0 369.450 2.770 20 10 FFCDRN C[C@H](NC(=O)c1nc(N(C)C)ncc1Br)c1ccccc1O ZINC001514531196 1058967707 /nfs/dbraw/zinc/96/77/07/1058967707.db2.gz ABYWJWKZTPSAAO-VIFPVBQESA-N 0 0 365.231 2.502 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1[nH]ncc1Br ZINC001519715675 1058989411 /nfs/dbraw/zinc/98/94/11/1058989411.db2.gz NZYJJNHAAOHMRH-UHFFFAOYSA-N 0 0 350.216 2.687 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2CCCC2)n1CCn1cncn1 ZINC001503487311 1059034929 /nfs/dbraw/zinc/03/49/29/1059034929.db2.gz KVOUCVHPLXMZPY-UHFFFAOYSA-N 0 0 367.457 2.569 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2[nH]cnc2c1F ZINC001451921010 1059163213 /nfs/dbraw/zinc/16/32/13/1059163213.db2.gz SOUOTKKBRMJJTM-UHFFFAOYSA-N 0 0 371.368 2.613 20 10 FFCDRN COc1ccc(/C=C\C(=O)NCc2ccc3cccnc3c2O)cc1O ZINC001451962491 1059169091 /nfs/dbraw/zinc/16/90/91/1059169091.db2.gz RLJNQYJWHAVGDW-UITAMQMPSA-N 0 0 350.374 2.984 20 10 FFCDRN CSc1cc(F)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001452152318 1059190271 /nfs/dbraw/zinc/19/02/71/1059190271.db2.gz LLLJKSIJLIOZSI-UHFFFAOYSA-N 0 0 370.427 2.877 20 10 FFCDRN COCC1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)CC1 ZINC001504690206 1059237291 /nfs/dbraw/zinc/23/72/91/1059237291.db2.gz SNNRWIGCRFYJMA-UHFFFAOYSA-N 0 0 369.513 2.880 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3n[nH]c4c3C[C@H](C)CC4)C2)cc1 ZINC001453219021 1059350132 /nfs/dbraw/zinc/35/01/32/1059350132.db2.gz RIBHMEPHHIWURO-KGLIPLIRSA-N 0 0 354.454 2.552 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCc2c(=O)[nH]n(C)c2C1 ZINC001454368315 1059516052 /nfs/dbraw/zinc/51/60/52/1059516052.db2.gz BFRHNOLVAWLFLU-UHFFFAOYSA-N 0 0 356.451 2.793 20 10 FFCDRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cc(O)ccc1O ZINC001455357132 1059770674 /nfs/dbraw/zinc/77/06/74/1059770674.db2.gz OLOQRLRJLOYHMI-LBPRGKRZSA-N 0 0 352.431 2.750 20 10 FFCDRN CCOc1cccc(CNc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)c1O ZINC000848563599 1060282127 /nfs/dbraw/zinc/28/21/27/1060282127.db2.gz WKFKPJXGQXQDNY-FQEVSTJZSA-N 0 0 369.421 2.800 20 10 FFCDRN CC(C)(C)Nc1ccccc1NC(=O)C(=O)NCc1c(O)cccc1F ZINC001517000025 1060295863 /nfs/dbraw/zinc/29/58/63/1060295863.db2.gz FMGKMXJESNDEIT-UHFFFAOYSA-N 0 0 359.401 2.997 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@@H](C)Cc2ccccn2)cc1 ZINC000848671982 1060432052 /nfs/dbraw/zinc/43/20/52/1060432052.db2.gz GSGSIVHAMVMEDQ-INIZCTEOSA-N 0 0 356.470 2.799 20 10 FFCDRN C[C@H](NC(=O)c1cc(-n2ccnn2)ccc1F)c1ccc(N(C)C)cc1 ZINC001517376274 1060469584 /nfs/dbraw/zinc/46/95/84/1060469584.db2.gz WYDQGRFGOIFNMR-ZDUSSCGKSA-N 0 0 353.401 2.963 20 10 FFCDRN CCOCCN(CC)c1nnc(C2SC=CC2=O)n1C[C@@H]1CCCO1 ZINC001517670941 1060588317 /nfs/dbraw/zinc/58/83/17/1060588317.db2.gz PJCBCHOEDJPNEI-ZDUSSCGKSA-N 0 0 366.487 2.754 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1([C@H]2CCCCO2)CCCO1 ZINC001517697052 1060600389 /nfs/dbraw/zinc/60/03/89/1060600389.db2.gz VICVRIIXDOAJFY-UYAOXDASSA-N 0 0 360.454 2.596 20 10 FFCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)Nc2nnn(C)n2)cc1 ZINC001355913661 1060721739 /nfs/dbraw/zinc/72/17/39/1060721739.db2.gz HTMRJAMYFJGFBN-UHFFFAOYSA-N 0 0 350.386 2.944 20 10 FFCDRN COC(=O)c1cc(OCC(=O)NCc2sccc2C)ccc1N(C)C ZINC001459236219 1060729306 /nfs/dbraw/zinc/72/93/06/1060729306.db2.gz LGZILNBWKNYDPB-UHFFFAOYSA-N 0 0 362.451 2.604 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(Cc2ccco2)n1C[C@@H]1CCOC1 ZINC001526019308 1060967630 /nfs/dbraw/zinc/96/76/30/1060967630.db2.gz JAJOMAZWTITZEK-HNNXBMFYSA-N 0 0 368.437 2.840 20 10 FFCDRN CCOc1ccc(N2CCN(S(=O)(=O)C[C@@H](C)C3CC3)CC2)cc1 ZINC001475158385 1060973865 /nfs/dbraw/zinc/97/38/65/1060973865.db2.gz BTIWWKDPHNWFRQ-OAHLLOKOSA-N 0 0 352.500 2.583 20 10 FFCDRN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc2cccnc2c1O ZINC001521671972 1061060705 /nfs/dbraw/zinc/06/07/05/1061060705.db2.gz YLYBHTSTCCCARM-QGZVFWFLSA-N 0 0 369.465 2.984 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccnn2CC2CCC2)cc1 ZINC001461333361 1061291752 /nfs/dbraw/zinc/29/17/52/1061291752.db2.gz CBLSKKRILQOLDA-UHFFFAOYSA-N 0 0 356.470 2.900 20 10 FFCDRN CS(C)(=O)=Nc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC001476720664 1061465528 /nfs/dbraw/zinc/46/55/28/1061465528.db2.gz RMIRMRJJMYPRHS-UHFFFAOYSA-N 0 0 363.439 2.821 20 10 FFCDRN C[C@H](NC(=O)N1CC[C@@H]1[C@H]1CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC001527427589 1061493863 /nfs/dbraw/zinc/49/38/63/1061493863.db2.gz XEBVOGMTOHZOML-XKGZKEIXSA-N 0 0 373.497 2.795 20 10 FFCDRN C[C@H](NC(=O)N1CC[C@H]1[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC001527427572 1061493869 /nfs/dbraw/zinc/49/38/69/1061493869.db2.gz XEBVOGMTOHZOML-HQRMLTQVSA-N 0 0 373.497 2.795 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(SC)ncn3)C2)cc1 ZINC001476895987 1061501890 /nfs/dbraw/zinc/50/18/90/1061501890.db2.gz MBUDDMPEBZWDOH-GFCCVEGCSA-N 0 0 359.455 2.608 20 10 FFCDRN COC(=O)[C@H]1C[C@@H](C(F)(F)F)C[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001462421545 1061616851 /nfs/dbraw/zinc/61/68/51/1061616851.db2.gz OXZKSPMZHIKYTD-VHSXEESVSA-N 0 0 353.287 2.844 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@](O)(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001462604053 1061686683 /nfs/dbraw/zinc/68/66/83/1061686683.db2.gz OTLAWTBODPRDQB-QGZVFWFLSA-N 0 0 374.840 2.646 20 10 FFCDRN O=C(/C=C\c1ccccc1)NCCCNC(=O)NCc1c(O)cccc1F ZINC001478522738 1062040723 /nfs/dbraw/zinc/04/07/23/1062040723.db2.gz PPNPNKWIXZSVMD-KHPPLWFESA-N 0 0 371.412 2.550 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC001478840360 1062126686 /nfs/dbraw/zinc/12/66/86/1062126686.db2.gz ATUPFXMIXMPUFX-LUKYLMHMSA-N 0 0 374.529 2.641 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CC(OCC(C)C)C3)C2)cc1 ZINC001478860272 1062132717 /nfs/dbraw/zinc/13/27/17/1062132717.db2.gz MGAWJIINOWNKII-MRXNPFEDSA-N 0 0 361.486 2.588 20 10 FFCDRN C[C@@H]1Oc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2NC1=O ZINC001463806523 1062271067 /nfs/dbraw/zinc/27/10/67/1062271067.db2.gz JHWIWEMSBRNLQY-VIFPVBQESA-N 0 0 353.338 2.821 20 10 FFCDRN O=S(=O)(c1ccccc1OC(F)(F)F)N1Cc2cccc(O)c2C1 ZINC001464325345 1062547461 /nfs/dbraw/zinc/54/74/61/1062547461.db2.gz CXCCTOKBMLYNFU-UHFFFAOYSA-N 0 0 359.325 2.995 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N(C)CCOC(C)(C)C ZINC001523654086 1062564754 /nfs/dbraw/zinc/56/47/54/1062564754.db2.gz XRVHGUXSPARHNF-UHFFFAOYSA-N 0 0 354.476 2.610 20 10 FFCDRN CN(C(=O)C1=CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc([N+](=O)[O-])nc1 ZINC001436034371 1062620167 /nfs/dbraw/zinc/62/01/67/1062620167.db2.gz FKAFTSVVTQQSDD-GFCCVEGCSA-N 0 0 362.386 2.566 20 10 FFCDRN COc1ccc(N(C)C(=O)c2cccnc2-c2cnn(C)c2)cc1OC ZINC001464615060 1062714708 /nfs/dbraw/zinc/71/47/08/1062714708.db2.gz QPDXRKIRNRNKQN-UHFFFAOYSA-N 0 0 352.394 2.776 20 10 FFCDRN Cn1ncc(Br)c1CC(=O)Nc1c2nonc2ccc1Cl ZINC001531533716 1062796000 /nfs/dbraw/zinc/79/60/00/1062796000.db2.gz PGGXZHXDWQNQSP-UHFFFAOYSA-N 0 0 370.594 2.553 20 10 FFCDRN CCO[C@@H](CC(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O)C(C)C ZINC001546152177 1062988178 /nfs/dbraw/zinc/98/81/78/1062988178.db2.gz VZBNXRAIASBAPI-INIZCTEOSA-N 0 0 371.861 2.998 20 10 FFCDRN COC(=O)C[C@H](NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)C1CC1 ZINC001465837229 1063229121 /nfs/dbraw/zinc/22/91/21/1063229121.db2.gz CZHNJFBLBSBOQX-SFHVURJKSA-N 0 0 368.433 2.978 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3[nH]ncc3C(F)(F)F)CC2)cc1 ZINC001545931499 1063301755 /nfs/dbraw/zinc/30/17/55/1063301755.db2.gz KORHLHNYKNXHQY-UHFFFAOYSA-N 0 0 368.359 2.790 20 10 FFCDRN O=C(CCN1CSCCSC1)NCc1ccc(N2CCCC2)cc1 ZINC001441185150 1063405914 /nfs/dbraw/zinc/40/59/14/1063405914.db2.gz ITIUVBPMHZUHCS-UHFFFAOYSA-N 0 0 365.568 2.990 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC001466398457 1063422723 /nfs/dbraw/zinc/42/27/23/1063422723.db2.gz NSRILHWVIJDOSR-NHYWBVRUSA-N 0 0 367.829 2.553 20 10 FFCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(C)COCCO1 ZINC001495136191 1063449698 /nfs/dbraw/zinc/44/96/98/1063449698.db2.gz HVPKYKXYMWMHMN-FOIQADDNSA-N 0 0 374.485 2.939 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Cn2ncc3cc(C)cnc32)cc1 ZINC001525919132 1063460691 /nfs/dbraw/zinc/46/06/91/1063460691.db2.gz WOISULNAFSCHDF-UHFFFAOYSA-N 0 0 351.454 2.902 20 10 FFCDRN CCOC(=O)[C@@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(C)C ZINC001441928151 1063482700 /nfs/dbraw/zinc/48/27/00/1063482700.db2.gz FMFWYYPIVFRSKQ-GOSISDBHSA-N 0 0 362.470 2.569 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(c2ccccn2)=NO1 ZINC001442345472 1063525220 /nfs/dbraw/zinc/52/52/20/1063525220.db2.gz ZGTBNLCAHRZPTI-LJQANCHMSA-N 0 0 352.438 2.689 20 10 FFCDRN COc1nscc1NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001467216152 1063672694 /nfs/dbraw/zinc/67/26/94/1063672694.db2.gz YCUVUCUWSFQISM-LBPRGKRZSA-N 0 0 362.455 2.808 20 10 FFCDRN COc1ccc(-c2nnc(CNC(=O)N[C@@H](C)c3ccccc3O)[nH]2)cc1 ZINC001468944331 1064062226 /nfs/dbraw/zinc/06/22/26/1064062226.db2.gz KHCPRUXXSMMPSC-LBPRGKRZSA-N 0 0 367.409 2.746 20 10 FFCDRN CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(O)cc2O)CCCCC1 ZINC001469158976 1064100559 /nfs/dbraw/zinc/10/05/59/1064100559.db2.gz IIWDRYPBHJNTGB-UHFFFAOYSA-N 0 0 364.442 2.942 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001469160801 1064101699 /nfs/dbraw/zinc/10/16/99/1064101699.db2.gz TYHRUJWZAYOWBT-UHFFFAOYSA-N 0 0 367.155 2.699 20 10 FFCDRN O=C(c1ccnc2c1CC(=O)N2)N1CCc2c1cccc2Br ZINC001469211107 1064110609 /nfs/dbraw/zinc/11/06/09/1064110609.db2.gz YSYLFZXFRLPESG-UHFFFAOYSA-N 0 0 358.195 2.542 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1S(C)(=O)=O ZINC001469250682 1064117472 /nfs/dbraw/zinc/11/74/72/1064117472.db2.gz SWJYUEXABFDPDJ-UHFFFAOYSA-N 0 0 370.430 2.582 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC001470147011 1064263925 /nfs/dbraw/zinc/26/39/25/1064263925.db2.gz QSSPHPOXOSXTDA-ICTCPBKTSA-N 0 0 361.344 2.989 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001470872585 1064476001 /nfs/dbraw/zinc/47/60/01/1064476001.db2.gz BMQLAVQFVGQCLL-CYBMUJFWSA-N 0 0 361.402 2.588 20 10 FFCDRN CON(C)C(=O)[C@@H](C)NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001470966334 1064510687 /nfs/dbraw/zinc/51/06/87/1064510687.db2.gz DCKQRCQCQNJUNS-OAHLLOKOSA-N 0 0 372.469 2.610 20 10 FFCDRN CCN(CCC(=O)NC)C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001470969066 1064511960 /nfs/dbraw/zinc/51/19/60/1064511960.db2.gz PIJFHPFSYQMARG-UHFFFAOYSA-N 0 0 370.497 2.804 20 10 FFCDRN Cc1cc(CNC(=O)C[C@@H]2CCCS2(=O)=O)c(C)n1-c1cccc(C)c1 ZINC001471014650 1064527413 /nfs/dbraw/zinc/52/74/13/1064527413.db2.gz UXJJPIBYBNLRHH-IBGZPJMESA-N 0 0 374.506 2.986 20 10 FFCDRN O=C(Cc1cc(F)ccc1Br)NCc1cccc(O)c1O ZINC001471642227 1064743872 /nfs/dbraw/zinc/74/38/72/1064743872.db2.gz OHFJNCCIIUAWQU-UHFFFAOYSA-N 0 0 354.175 2.858 20 10 FFCDRN Cc1c(C(=O)NCc2cccc(O)c2O)cnn1-c1ccc(F)cc1F ZINC001471644366 1064744510 /nfs/dbraw/zinc/74/45/10/1064744510.db2.gz RWRBQWWNWQNZPG-UHFFFAOYSA-N 0 0 359.332 2.800 20 10 FFCDRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)Nc1ccc(N)cc1 ZINC001575197916 1078116430 /nfs/dbraw/zinc/11/64/30/1078116430.db2.gz ILPQOLJBZNZFMT-CQSZACIVSA-N 0 0 351.472 2.950 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(CC(C)C)C(=O)[C@@H]2C)c1O ZINC001473409361 1065259000 /nfs/dbraw/zinc/25/90/00/1065259000.db2.gz DUWWVOFWPOFDOU-LBPRGKRZSA-N 0 0 352.862 2.937 20 10 FFCDRN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474510530 1065540809 /nfs/dbraw/zinc/54/08/09/1065540809.db2.gz KPXQGPYAZZUERB-ZIAGYGMSSA-N 0 0 370.396 2.540 20 10 FFCDRN COC(=O)c1c(CN[C@@H](C)C(=O)OC(C)C)c2cc(F)ccc2n1C ZINC001474529189 1065545435 /nfs/dbraw/zinc/54/54/35/1065545435.db2.gz JUNKHVZHNIRMKW-NSHDSACASA-N 0 0 350.390 2.534 20 10 FFCDRN COC(=O)c1c(CNCc2cc(C)c[nH]c2=O)c2cc(F)ccc2n1C ZINC001474736741 1065593450 /nfs/dbraw/zinc/59/34/50/1065593450.db2.gz GYYQHWJVBYOULA-UHFFFAOYSA-N 0 0 357.385 2.803 20 10 FFCDRN Nc1ccc(CNC(=O)CCCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC001580443512 1078805227 /nfs/dbraw/zinc/80/52/27/1078805227.db2.gz MPHACASPCTUYTL-UHFFFAOYSA-N 0 0 354.406 2.709 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)CC2)cc1 ZINC001583758275 1079260145 /nfs/dbraw/zinc/26/01/45/1079260145.db2.gz KWEWMZZPRQPTJD-DZFGPLHGSA-N 0 0 371.525 2.760 20 10 FFCDRN CCc1[nH]c(=O)c(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1C ZINC001584231123 1079326046 /nfs/dbraw/zinc/32/60/46/1079326046.db2.gz ZAYHLLXLPQLDDJ-CQSZACIVSA-N 0 0 355.438 2.675 20 10 FFCDRN COC(C)(C)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001554573669 1075626412 /nfs/dbraw/zinc/62/64/12/1075626412.db2.gz DNTBEKWCZHVDGV-INIZCTEOSA-N 0 0 374.485 2.939 20 10 FFCDRN COC[C@@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001555237172 1075652598 /nfs/dbraw/zinc/65/25/98/1075652598.db2.gz KUGCWLAHQGDTCF-DOTOQJQBSA-N 0 0 374.485 2.797 20 10 FFCDRN CON(C)c1nnc(-c2cccnc2)n1CCCSc1nccs1 ZINC001555762955 1075679115 /nfs/dbraw/zinc/67/91/15/1075679115.db2.gz DCEAMICCZKPUTF-UHFFFAOYSA-N 0 0 362.484 2.977 20 10 FFCDRN Cc1cc([N+](=O)[O-])c(F)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1F ZINC001556157717 1075709938 /nfs/dbraw/zinc/70/99/38/1075709938.db2.gz ILTBYQUQLUBKTM-VIFPVBQESA-N 0 0 366.320 2.954 20 10 FFCDRN C[C@@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cccc(O)c2O)C1=O ZINC001556730233 1075768530 /nfs/dbraw/zinc/76/85/30/1075768530.db2.gz JCARRLFWGXVTQE-LRDDRELGSA-N 0 0 372.396 2.719 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2Cc3ccccc3O2)cc1 ZINC001585448972 1079464870 /nfs/dbraw/zinc/46/48/70/1079464870.db2.gz CLAKLTODNHONKB-LJQANCHMSA-N 0 0 354.450 2.984 20 10 FFCDRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccc(O)cc1O ZINC001557084506 1075806116 /nfs/dbraw/zinc/80/61/16/1075806116.db2.gz BZVIREHWRQXJFC-JTQLQIEISA-N 0 0 366.211 2.944 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc4ccccc4c(=O)[nH]3)C2)cc1 ZINC001557447554 1075850761 /nfs/dbraw/zinc/85/07/61/1075850761.db2.gz SQDKQELZLFVUCN-OAHLLOKOSA-N 0 0 363.417 2.958 20 10 FFCDRN Cc1sc(=O)n(CC(=O)NCc2cc(O)ccc2O)c1-c1ccccc1 ZINC001558175456 1075956419 /nfs/dbraw/zinc/95/64/19/1075956419.db2.gz QXCQENBECMWGCE-UHFFFAOYSA-N 0 0 370.430 2.613 20 10 FFCDRN CCOC(=O)CC1CCN(c2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC001559065682 1076122581 /nfs/dbraw/zinc/12/25/81/1076122581.db2.gz XXBBIKWEPKTJIR-UHFFFAOYSA-N 0 0 352.387 2.782 20 10 FFCDRN Cc1cc(Cn2c(=O)onc2-c2cccc([N+](=O)[O-])c2)ccc1N(C)C ZINC001559402023 1076155938 /nfs/dbraw/zinc/15/59/38/1076155938.db2.gz MTYNSXXDNYQNSK-UHFFFAOYSA-N 0 0 354.366 2.834 20 10 FFCDRN COc1ccc(N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1 ZINC001560083358 1076224094 /nfs/dbraw/zinc/22/40/94/1076224094.db2.gz VEZQDDJBJAQDTB-UHFFFAOYSA-N 0 0 357.410 2.934 20 10 FFCDRN Cc1ccc(CN2CCO[C@@H](C[NH2+]Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC001560973331 1076315659 /nfs/dbraw/zinc/31/56/59/1076315659.db2.gz QPYAJFPWEOCSNM-KRWDZBQOSA-N 0 0 362.420 2.969 20 10 FFCDRN CCOC(=O)[C@H](CC1CC1)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC001560996486 1076317957 /nfs/dbraw/zinc/31/79/57/1076317957.db2.gz SPMHFNQURVZKKU-SFHVURJKSA-N 0 0 357.454 2.761 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1cnc(C)c(C(N)=O)c1 ZINC001563170428 1076525934 /nfs/dbraw/zinc/52/59/34/1076525934.db2.gz LETBXKSTTDFEOQ-ZDUSSCGKSA-N 0 0 369.469 2.616 20 10 FFCDRN CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)c1noc(C)n1 ZINC001564264680 1076620350 /nfs/dbraw/zinc/62/03/50/1076620350.db2.gz QDUXQNIYBPOSKV-CVEARBPZSA-N 0 0 374.441 2.926 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2COC(C)(C)O2)CCCC1 ZINC001566263749 1076939761 /nfs/dbraw/zinc/93/97/61/1076939761.db2.gz GHUVGGACCHYUSQ-HNNXBMFYSA-N 0 0 372.465 2.796 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1C[C@H](C(=O)NCc2ccc(O)c(O)c2)C1(C)C ZINC001566359890 1076950830 /nfs/dbraw/zinc/95/08/30/1076950830.db2.gz QUTFHQPNOPTFKZ-DOMZBBRYSA-N 0 0 364.442 2.653 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCC2CCN(CC(F)(F)F)CC2)cc1 ZINC001567607922 1077038800 /nfs/dbraw/zinc/03/88/00/1077038800.db2.gz XSBZQAHDRCOJCZ-UHFFFAOYSA-N 0 0 371.363 2.853 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](C)[C@@H]2CO)CCCC1 ZINC001567625796 1077040241 /nfs/dbraw/zinc/04/02/41/1077040241.db2.gz DGDZLKKWHSRCKV-VLIAUNLRSA-N 0 0 356.466 2.758 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(NC)c([N+](=O)[O-])c1 ZINC001568735918 1077108980 /nfs/dbraw/zinc/10/89/80/1077108980.db2.gz NNRCHCLWGQPYOQ-UHFFFAOYSA-N 0 0 350.371 2.758 20 10 FFCDRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C)c1ccccc1O ZINC001587444717 1079794091 /nfs/dbraw/zinc/79/40/91/1079794091.db2.gz NEPSRGDPLSAXIQ-YJYMSZOUSA-N 0 0 365.433 2.798 20 10 FFCDRN CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1O ZINC001589271026 1080456685 /nfs/dbraw/zinc/45/66/85/1080456685.db2.gz LXUFRLNKERHNEB-ZWKOTPCHSA-N 0 0 373.380 2.740 20 10 FFCDRN C[C@H](CCc1ccc(O)cc1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589836940 1080787861 /nfs/dbraw/zinc/78/78/61/1080787861.db2.gz RAGXAOLYIRHOMB-OLZOCXBDSA-N 0 0 353.426 2.950 20 10 FFCDRN C[C@H](NC(=O)Nc1sccc1-c1nn[nH]n1)c1ccc(N(C)C)cc1 ZINC001589938577 1080883542 /nfs/dbraw/zinc/88/35/42/1080883542.db2.gz LGIOFDDGSLDWCE-JTQLQIEISA-N 0 0 357.443 2.877 20 10 FFCDRN C[C@H]([NH2+]CCCOCc1ccccc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589960884 1080904425 /nfs/dbraw/zinc/90/44/25/1080904425.db2.gz JREWKIGSMNIKPX-AWEZNQCLSA-N 0 0 353.426 2.830 20 10 FFCDRN COc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(=O)[O-])cc1Cn1cccn1 ZINC001607259532 1126232968 /nfs/dbraw/zinc/23/29/68/1126232968.db2.gz VQBLDLAXKICHOV-IBGZPJMESA-N 0 0 365.433 2.726 20 10 FFCDRN NC(=O)c1c2c(sc1NC(=O)CSc1nccs1)CCCC2 ZINC000054881168 221056118 /nfs/dbraw/zinc/05/61/18/221056118.db2.gz FQFPXZVLEDQTII-UHFFFAOYSA-N 0 0 353.494 2.913 20 10 FFCDRN C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000109183964 132244819 /nfs/dbraw/zinc/24/48/19/132244819.db2.gz RDDDBGBUXDLTKJ-OAHLLOKOSA-N 0 0 369.421 2.851 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(-c2cnco2)c1 ZINC000052730247 506240163 /nfs/dbraw/zinc/24/01/63/506240163.db2.gz YZUCRDUAFZILKZ-UHFFFAOYSA-N 0 0 351.362 2.644 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCc3cnc4n3CCCC4)ccc21 ZINC000375120898 512171734 /nfs/dbraw/zinc/17/17/34/512171734.db2.gz YECUQVWHYWRXQL-UHFFFAOYSA-N 0 0 353.470 2.601 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@]2(CCCOC2)O1 ZINC000369057735 512206176 /nfs/dbraw/zinc/20/61/76/512206176.db2.gz WFJMHEGKXRMKNJ-KKSFZXQISA-N 0 0 373.497 2.549 20 10 FFCDRN CCOc1cccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000410140811 512211579 /nfs/dbraw/zinc/21/15/79/512211579.db2.gz SJCUMRZKOSUVQQ-UHFFFAOYSA-N 0 0 362.451 2.739 20 10 FFCDRN CCCNc1nnc(SCC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000007078856 506532529 /nfs/dbraw/zinc/53/25/29/506532529.db2.gz OGDDSVOEJTZMFU-UHFFFAOYSA-N 0 0 365.528 2.835 20 10 FFCDRN COc1ccc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000054786755 506622612 /nfs/dbraw/zinc/62/26/12/506622612.db2.gz IIEKFQYHWPGXHK-UHFFFAOYSA-N 0 0 369.465 2.574 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CSc2nnc(-c3ccco3)n2C)cc1 ZINC000008208590 506631482 /nfs/dbraw/zinc/63/14/82/506631482.db2.gz KHNYKYWDIJASMG-UHFFFAOYSA-N 0 0 371.466 2.550 20 10 FFCDRN O=C(NCCc1ccccn1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000042964701 506684421 /nfs/dbraw/zinc/68/44/21/506684421.db2.gz LYUYZWPFJSEYCL-GOSISDBHSA-N 0 0 355.438 2.721 20 10 FFCDRN COc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(OC)c1 ZINC000055523614 506770342 /nfs/dbraw/zinc/77/03/42/506770342.db2.gz OHRNXKVDGZYKLR-UHFFFAOYSA-N 0 0 374.412 2.610 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)COc3ccccc3OC)CC2)cc1 ZINC000055877669 506874851 /nfs/dbraw/zinc/87/48/51/506874851.db2.gz ZXVMSYWXRUBDMQ-UHFFFAOYSA-N 0 0 370.449 2.822 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc(N(C)C)nc3)CC2)cc1 ZINC000056614965 507058390 /nfs/dbraw/zinc/05/83/90/507058390.db2.gz PKJBKDGXSCAWHP-UHFFFAOYSA-N 0 0 369.469 2.900 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1O ZINC000068488867 507248649 /nfs/dbraw/zinc/24/86/49/507248649.db2.gz HXGURGNNGWJYEY-KRWDZBQOSA-N 0 0 357.406 2.889 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000047331917 507310758 /nfs/dbraw/zinc/31/07/58/507310758.db2.gz NCYQKWDSRMZPDJ-UHFFFAOYSA-N 0 0 370.906 2.659 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccnc(N3CCCC3)c2)cc1F ZINC000058558324 507436286 /nfs/dbraw/zinc/43/62/86/507436286.db2.gz ADROIDGTIDXRGI-UHFFFAOYSA-N 0 0 371.460 2.886 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3ccc(N4CCOC4=O)cc3)ccc21 ZINC000069960355 507592669 /nfs/dbraw/zinc/59/26/69/507592669.db2.gz QONHOIPWXYTOIX-UHFFFAOYSA-N 0 0 365.433 2.956 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Cc3[nH]nc4ccccc43)CC2)cc1 ZINC000050589340 507694061 /nfs/dbraw/zinc/69/40/61/507694061.db2.gz BSGMAQYXFTUUBD-UHFFFAOYSA-N 0 0 364.449 2.853 20 10 FFCDRN c1ccc(-n2nnnc2NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000052428554 507808771 /nfs/dbraw/zinc/80/87/71/507808771.db2.gz KWIQLDLQIDBSFA-UHFFFAOYSA-N 0 0 352.467 2.828 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000031730013 507821414 /nfs/dbraw/zinc/82/14/14/507821414.db2.gz ASXLYPVTWWBPCR-UHFFFAOYSA-N 0 0 366.465 2.726 20 10 FFCDRN Cc1noc(C)c1CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000107395082 507849719 /nfs/dbraw/zinc/84/97/19/507849719.db2.gz YMFWJWIGQYYRTH-QGZVFWFLSA-N 0 0 373.453 2.930 20 10 FFCDRN COc1cccc(CNC(=O)NCCCn2c(C)nc3ccccc32)c1O ZINC000073499589 507926571 /nfs/dbraw/zinc/92/65/71/507926571.db2.gz XSDITYXBNCTSNV-UHFFFAOYSA-N 0 0 368.437 2.948 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCc2cn3ccccc3n2)cc1F ZINC000109453794 507964304 /nfs/dbraw/zinc/96/43/04/507964304.db2.gz BXJODOIXOQXSJM-UHFFFAOYSA-N 0 0 355.417 2.581 20 10 FFCDRN CO[C@@H]1CC[C@H]2OCCN(Cc3cc(Br)ccc3O)[C@@H]2C1 ZINC000092095225 508042264 /nfs/dbraw/zinc/04/22/64/508042264.db2.gz GJGNZRHSUNOUAN-IIAWOOMASA-N 0 0 356.260 2.923 20 10 FFCDRN CO[C@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000075097235 508082355 /nfs/dbraw/zinc/08/23/55/508082355.db2.gz NWNZQGDDYIKJMH-OALUTQOASA-N 0 0 361.486 2.622 20 10 FFCDRN COCCN(CC(=O)NCc1cccs1)c1ccc(OC)c(OC)c1 ZINC000081155808 508142503 /nfs/dbraw/zinc/14/25/03/508142503.db2.gz PXJQMDRFEMKQDL-UHFFFAOYSA-N 0 0 364.467 2.535 20 10 FFCDRN Cc1ncc(/C=C/C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)s1 ZINC000112235377 508162610 /nfs/dbraw/zinc/16/26/10/508162610.db2.gz MPNBWWNCFYNXHC-VMPITWQZSA-N 0 0 362.476 2.848 20 10 FFCDRN COc1c(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c(C)nn1C ZINC000112270600 508166121 /nfs/dbraw/zinc/16/61/21/508166121.db2.gz UPIBLEHOISPAES-UHFFFAOYSA-N 0 0 356.470 3.000 20 10 FFCDRN Cc1ncc(/C=C/C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000112270582 508166136 /nfs/dbraw/zinc/16/61/36/508166136.db2.gz DSMHDAPMFJIKHJ-BQYQJAHWSA-N 0 0 357.479 2.960 20 10 FFCDRN Cc1cccc(C(=O)N[C@H](C(=O)NCCc2ccc(O)c(O)c2)C(C)C)c1 ZINC000098074569 508233575 /nfs/dbraw/zinc/23/35/75/508233575.db2.gz YLANWWMAWOAYCS-IBGZPJMESA-N 0 0 370.449 2.520 20 10 FFCDRN Cc1cc(/C=C/C(=O)N[C@H]2CCN(C(N)=O)C2)c(C)n1-c1ccc(C)cc1 ZINC000114137002 508295957 /nfs/dbraw/zinc/29/59/57/508295957.db2.gz HIWGMCYGWPKWAO-YOCVDRLZSA-N 0 0 366.465 2.685 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cncc(F)c1 ZINC000104218252 508330106 /nfs/dbraw/zinc/33/01/06/508330106.db2.gz YGSCUBOHXYTRSH-QPJJXVBHSA-N 0 0 355.413 2.729 20 10 FFCDRN CC(C)N1CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000114838206 508352392 /nfs/dbraw/zinc/35/23/92/508352392.db2.gz NXHGAVHBCHNWBI-LJQANCHMSA-N 0 0 372.513 2.828 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)cc2)c1O ZINC000077837562 508382876 /nfs/dbraw/zinc/38/28/76/508382876.db2.gz OLFDEXBUGFWMPL-UHFFFAOYSA-N 0 0 356.422 2.953 20 10 FFCDRN O=C(C[C@@H]1OCCc2ccccc21)NCc1ccc(N2CCOCC2)cc1 ZINC000115343389 508386062 /nfs/dbraw/zinc/38/60/62/508386062.db2.gz GNSLQNPCXGWDLK-NRFANRHFSA-N 0 0 366.461 2.844 20 10 FFCDRN O=C(C=Cc1ccc(N2CCOCC2)cc1)NCC(=O)c1cccs1 ZINC000127179189 508410998 /nfs/dbraw/zinc/41/09/98/508410998.db2.gz JTEQXSLVHNTAGS-VMPITWQZSA-N 0 0 356.447 2.597 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(CCO)[C@H]2CCc3ccccc32)cc1 ZINC000115632480 508419193 /nfs/dbraw/zinc/41/91/93/508419193.db2.gz 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ONRXAVZXBRURJV-UHFFFAOYSA-N 0 0 356.470 2.603 20 10 FFCDRN COc1cccc(N2CC[C@H](CNC(=O)NCc3ccccc3O)C2)c1 ZINC000263723625 510811377 /nfs/dbraw/zinc/81/13/77/510811377.db2.gz BLPDSZHZZKCRAM-OAHLLOKOSA-N 0 0 355.438 2.727 20 10 FFCDRN COc1ccc(O)c(CN[C@@H](c2noc(C)n2)c2ccccc2OC)c1 ZINC000182227736 510822607 /nfs/dbraw/zinc/82/26/07/510822607.db2.gz JYNHSNGVQDSPRA-GOSISDBHSA-N 0 0 355.394 2.980 20 10 FFCDRN Cc1ccc(C(=O)NC2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)s1 ZINC000182261150 510837142 /nfs/dbraw/zinc/83/71/42/510837142.db2.gz KHTYUMWXGDRMMH-UHFFFAOYSA-N 0 0 374.462 2.811 20 10 FFCDRN Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])nc(N2CCCC2)n1 ZINC000293863230 510878344 /nfs/dbraw/zinc/87/83/44/510878344.db2.gz XWVHJAFDXWOGMZ-ZDUSSCGKSA-N 0 0 357.414 2.850 20 10 FFCDRN C[C@H]1C(=O)CC[C@@H](C(=O)NCc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000275593642 510906899 /nfs/dbraw/zinc/90/68/99/510906899.db2.gz CWVSHYIZRWFTAL-YJBOKZPZSA-N 0 0 358.482 2.781 20 10 FFCDRN Cc1csc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000275636907 510908351 /nfs/dbraw/zinc/90/83/51/510908351.db2.gz CDFMAENGJFFPEH-UHFFFAOYSA-N 0 0 360.483 2.893 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000275854952 510918742 /nfs/dbraw/zinc/91/87/42/510918742.db2.gz SHVFQDRIGZBDIK-GFCCVEGCSA-N 0 0 357.410 2.552 20 10 FFCDRN Cc1nc(Cl)ccc1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000270598225 510919937 /nfs/dbraw/zinc/91/99/37/510919937.db2.gz NTSJFZORJXYEGD-UHFFFAOYSA-N 0 0 359.857 2.739 20 10 FFCDRN C[C@@H]([NH2+]C1CCC(CS(C)(=O)=O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000297394552 510928796 /nfs/dbraw/zinc/92/87/96/510928796.db2.gz SBAZCISBBJYAGX-PNESKVBLSA-N 0 0 356.444 2.554 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ncnc4ccsc43)cc2)CC1 ZINC000276258174 510931827 /nfs/dbraw/zinc/93/18/27/510931827.db2.gz FILOJWTWHODFRI-UHFFFAOYSA-N 0 0 367.478 2.972 20 10 FFCDRN O=C(Nc1ccccc1)NC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276575859 510943078 /nfs/dbraw/zinc/94/30/78/510943078.db2.gz NTBUKTNEWWANCL-UHFFFAOYSA-N 0 0 373.384 2.663 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CC3(CCOCC3)[C@@H]2C2CC2)cc1F ZINC000297432492 510943682 /nfs/dbraw/zinc/94/36/82/510943682.db2.gz ZTASLVPYMPRQEP-SFHVURJKSA-N 0 0 361.461 2.992 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(C2CCCCC2)C1=O ZINC000276806078 510946822 /nfs/dbraw/zinc/94/68/22/510946822.db2.gz UDIZPZGGXAFYQB-KRWDZBQOSA-N 0 0 359.470 2.857 20 10 FFCDRN C[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000276863358 510948525 /nfs/dbraw/zinc/94/85/25/510948525.db2.gz CXPAHJXESJQDLV-RTHLEPHNSA-N 0 0 365.302 2.505 20 10 FFCDRN COc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1NC(C)=O ZINC000276929604 510949596 /nfs/dbraw/zinc/94/95/96/510949596.db2.gz UXKMOZARGSWCCP-NSHDSACASA-N 0 0 373.409 2.818 20 10 FFCDRN CCO[C@@H]1C[C@]2(NC(=O)N(Cc3ccc(N4CCCC4)cc3)C2=O)C1(C)C ZINC000277249515 510956557 /nfs/dbraw/zinc/95/65/57/510956557.db2.gz HXKXDMGSWCMLLA-DYESRHJHSA-N 0 0 371.481 2.912 20 10 FFCDRN CC(C)C(=O)N1CCCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000277194082 510956840 /nfs/dbraw/zinc/95/68/40/510956840.db2.gz NJSUNAQNMRGXCW-KRWDZBQOSA-N 0 0 359.470 2.515 20 10 FFCDRN CC(C)(CO)CCCNC(=O)NCc1cccc(Br)c1O ZINC000277758949 510972273 /nfs/dbraw/zinc/97/22/73/510972273.db2.gz OJAXWDVHEOKVBA-UHFFFAOYSA-N 0 0 359.264 2.753 20 10 FFCDRN COc1c(O)c(CN2CCn3c(C(C)C)nnc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000364617171 510974208 /nfs/dbraw/zinc/97/42/08/510974208.db2.gz YMNSMOAWVADBCR-NSHDSACASA-N 0 0 361.402 2.601 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@@H](C)COc2ccccc2OC)c1O ZINC000270769144 510979286 /nfs/dbraw/zinc/97/92/86/510979286.db2.gz CZWHVXDXAFSCPN-CQSZACIVSA-N 0 0 374.437 2.924 20 10 FFCDRN COC[C@H](C)OC[C@H](O)CN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000278215611 510985238 /nfs/dbraw/zinc/98/52/38/510985238.db2.gz DKSYCMRVFUCVFG-GOEBONIOSA-N 0 0 367.417 2.846 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCc3nccnc3C)ccc21 ZINC000294213759 510992074 /nfs/dbraw/zinc/99/20/74/510992074.db2.gz TWZPYNZTGKQQFE-UHFFFAOYSA-N 0 0 366.465 2.975 20 10 FFCDRN COc1c([O-])c(C[NH2+]CC2([C@H](O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278550245 510998934 /nfs/dbraw/zinc/99/89/34/510998934.db2.gz YWTKVNQAKJJBHW-GOSISDBHSA-N 0 0 358.394 2.912 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccnc(-n2cncn2)c1 ZINC000282504699 511004036 /nfs/dbraw/zinc/00/40/36/511004036.db2.gz NXFIUVQQSNGWKV-UHFFFAOYSA-N 0 0 351.410 2.810 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1[N+](=O)[O-] ZINC000278878698 511012273 /nfs/dbraw/zinc/01/22/73/511012273.db2.gz NXXDRIJYPBLRKC-LLVKDONJSA-N 0 0 371.393 2.679 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCCCC(=O)N2)cc1 ZINC000279121306 511019396 /nfs/dbraw/zinc/01/93/96/511019396.db2.gz ZYUSOBTYSRVAAU-IBGZPJMESA-N 0 0 369.465 2.933 20 10 FFCDRN CC(C)SCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000286691497 511030551 /nfs/dbraw/zinc/03/05/51/511030551.db2.gz QOVVXLVKRFIHLN-UHFFFAOYSA-N 0 0 355.479 2.603 20 10 FFCDRN Cc1nn(C)cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000286901519 511035293 /nfs/dbraw/zinc/03/52/93/511035293.db2.gz OBSZFXPNOKGGQM-UHFFFAOYSA-N 0 0 363.483 2.958 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F ZINC000287042170 511038641 /nfs/dbraw/zinc/03/86/41/511038641.db2.gz DEQZDZPVLMFYQB-GFCCVEGCSA-N 0 0 359.392 2.645 20 10 FFCDRN O=C(NC[C@@H]1CCSC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000279320730 511044113 /nfs/dbraw/zinc/04/41/13/511044113.db2.gz PISPPLALINXBQL-GOEBONIOSA-N 0 0 350.484 2.836 20 10 FFCDRN Cc1ccc(CN(C)C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)o1 ZINC000297728583 511048996 /nfs/dbraw/zinc/04/89/96/511048996.db2.gz GSNYIXZDNZPYLO-UHFFFAOYSA-N 0 0 369.465 2.804 20 10 FFCDRN Cn1ccc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)c1 ZINC000287505937 511052318 /nfs/dbraw/zinc/05/23/18/511052318.db2.gz LQJJUIKEHCZOBB-UHFFFAOYSA-N 0 0 369.465 2.708 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3n[nH]c4ccccc43)CC2)cc1 ZINC000364736116 511052589 /nfs/dbraw/zinc/05/25/89/511052589.db2.gz AKCDGYFLJLFPMD-UHFFFAOYSA-N 0 0 350.422 2.924 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Nc3cccc4c3CNC4=O)ccc21 ZINC000287780464 511056642 /nfs/dbraw/zinc/05/66/42/511056642.db2.gz RBOBTOGPTYAQCX-UHFFFAOYSA-N 0 0 350.422 2.634 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)C3CCC(O)CC3)cc2F)C[C@H](C)O1 ZINC000279395612 511068986 /nfs/dbraw/zinc/06/89/86/511068986.db2.gz AVOJCOJDUKJJFG-JCAIJIATSA-N 0 0 364.461 2.607 20 10 FFCDRN CCCOc1ccc(CN2CCN(C(=O)c3ccccn3)CC2)c(O)c1 ZINC000271070678 511074853 /nfs/dbraw/zinc/07/48/53/511074853.db2.gz MVAWTRBZSZDAAC-UHFFFAOYSA-N 0 0 355.438 2.534 20 10 FFCDRN C[C@H](O)CCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000279441498 511084212 /nfs/dbraw/zinc/08/42/12/511084212.db2.gz JZTYLFDGCBGNJG-UONOGXRCSA-N 0 0 371.428 2.717 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccc(S(C)(=O)=O)c1 ZINC000294512373 511089420 /nfs/dbraw/zinc/08/94/20/511089420.db2.gz DIVFMUMWWZYSNW-UHFFFAOYSA-N 0 0 374.506 2.559 20 10 FFCDRN CC1(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)CCCC1 ZINC000289052607 511092070 /nfs/dbraw/zinc/09/20/70/511092070.db2.gz HRENOCPZUFLBQY-UHFFFAOYSA-N 0 0 351.428 2.937 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccn(CCn3cccn3)n2)cc1 ZINC000294522376 511092650 /nfs/dbraw/zinc/09/26/50/511092650.db2.gz QKBWYHOMSUULKU-UHFFFAOYSA-N 0 0 366.469 2.556 20 10 FFCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCc1cnnn1C ZINC000289510891 511102680 /nfs/dbraw/zinc/10/26/80/511102680.db2.gz AKWXYROSWPPMKY-UHFFFAOYSA-N 0 0 357.439 2.762 20 10 FFCDRN CC[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@H](C)S1(=O)=O ZINC000289875080 511118888 /nfs/dbraw/zinc/11/88/88/511118888.db2.gz ROUZNPSUCMEFNK-GXFFZTMASA-N 0 0 362.289 2.552 20 10 FFCDRN Nc1ccc(NC(=O)[C@@H]2CS[C@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 ZINC000364889457 511135857 /nfs/dbraw/zinc/13/58/57/511135857.db2.gz WOUBNRSWTCAAPV-LPHOPBHVSA-N 0 0 371.437 2.937 20 10 FFCDRN COC(=O)C1(O)CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000271252682 511137950 /nfs/dbraw/zinc/13/79/50/511137950.db2.gz ITVLEEAEZKSKFP-UHFFFAOYSA-N 0 0 370.449 2.543 20 10 FFCDRN CN(C)c1cccnc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000290559720 511144210 /nfs/dbraw/zinc/14/42/10/511144210.db2.gz AFOSLHMXQCTPII-UHFFFAOYSA-N 0 0 353.470 2.747 20 10 FFCDRN COc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1Cl ZINC000294730645 511158477 /nfs/dbraw/zinc/15/84/77/511158477.db2.gz DGSQDPLXXASCOZ-UHFFFAOYSA-N 0 0 353.762 2.656 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCCC2=O ZINC000294745801 511164326 /nfs/dbraw/zinc/16/43/26/511164326.db2.gz XGNVXPFDVOPJCU-UHFFFAOYSA-N 0 0 364.445 2.972 20 10 FFCDRN Cn1nc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1C1CC1 ZINC000291357500 511165001 /nfs/dbraw/zinc/16/50/01/511165001.db2.gz AMQHFNYIHYZDPE-RUDMXATFSA-N 0 0 352.438 2.786 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccn(CCn2cccn2)n1 ZINC000294795145 511180735 /nfs/dbraw/zinc/18/07/35/511180735.db2.gz DPJDMCYUMYOZCK-UHFFFAOYSA-N 0 0 353.426 2.538 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)CCc2ccccc2C(N)=O)C2CC2)cc1 ZINC000279712127 511185235 /nfs/dbraw/zinc/18/52/35/511185235.db2.gz LEEWWPXJHBTJBK-UHFFFAOYSA-N 0 0 365.477 2.975 20 10 FFCDRN Cc1cc(Br)cc(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1O ZINC000279740300 511196296 /nfs/dbraw/zinc/19/62/96/511196296.db2.gz XGLLXFQJVQTQMQ-LRDDRELGSA-N 0 0 356.260 2.843 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNCc3cn4cccnc4n3)cc2F)C[C@@H](C)O1 ZINC000298220332 511213312 /nfs/dbraw/zinc/21/33/12/511213312.db2.gz AJDUJPCFVMYZFD-HUUCEWRRSA-N 0 0 369.444 2.772 20 10 FFCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)N2CCc3ccccc3C2)s1 ZINC000294911447 511219036 /nfs/dbraw/zinc/21/90/36/511219036.db2.gz BMWMGPSORZXYKK-NSHDSACASA-N 0 0 362.476 2.995 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000279833323 511232834 /nfs/dbraw/zinc/23/28/34/511232834.db2.gz CWBPPABZXCWKGY-UHFFFAOYSA-N 0 0 366.421 2.920 20 10 FFCDRN COC(=O)c1cnc(S[C@H](C)C(=O)NCCc2cccs2)s1 ZINC000295001180 511248837 /nfs/dbraw/zinc/24/88/37/511248837.db2.gz DCJDLCRRWBLPKY-SECBINFHSA-N 0 0 356.494 2.831 20 10 FFCDRN Cc1cc(C)n2nc(C(=O)N(Cc3ccc(N(C)C)cc3)C(C)C)nc2n1 ZINC000298335134 511249150 /nfs/dbraw/zinc/24/91/50/511249150.db2.gz IDYWZCNFOOCZQN-UHFFFAOYSA-N 0 0 366.469 2.858 20 10 FFCDRN CC(C)[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000271592176 511256368 /nfs/dbraw/zinc/25/63/68/511256368.db2.gz XCMXBPLNPYFSOH-HKUYNNGSSA-N 0 0 361.486 2.526 20 10 FFCDRN CC(=O)NCc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000298372895 511262676 /nfs/dbraw/zinc/26/26/76/511262676.db2.gz FORYVGQEBGIYPD-UHFFFAOYSA-N 0 0 351.450 2.853 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(-n2cnnn2)cc1 ZINC000298409931 511274644 /nfs/dbraw/zinc/27/46/44/511274644.db2.gz VMILXORLSAFFSJ-UHFFFAOYSA-N 0 0 363.425 2.584 20 10 FFCDRN Cc1cc(C(=O)Cn2nc(CO)c(=O)cc2C)c(C)n1-c1cccc(C)c1 ZINC000279940958 511275237 /nfs/dbraw/zinc/27/52/37/511275237.db2.gz XIZFKEIRQLAVJT-UHFFFAOYSA-N 0 0 365.433 2.643 20 10 FFCDRN Nc1ccccc1CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000280043523 511315599 /nfs/dbraw/zinc/31/55/99/511315599.db2.gz ZNLXIBWLFZJQBA-UHFFFAOYSA-N 0 0 371.456 2.618 20 10 FFCDRN C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1c(F)ccc(O)c1O ZINC000295259256 511339868 /nfs/dbraw/zinc/33/98/68/511339868.db2.gz DCAOABPCAIGCPF-JTQLQIEISA-N 0 0 356.394 2.660 20 10 FFCDRN COc1cc(O)c(CN2CCOC[C@H]2C[C@@H](O)c2ccccc2)cc1OC ZINC000271901319 511365200 /nfs/dbraw/zinc/36/52/00/511365200.db2.gz ZHIAZEBDPYVNRK-QZTJIDSGSA-N 0 0 373.449 2.734 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc([N+](=O)[O-])c1 ZINC000298662327 511366113 /nfs/dbraw/zinc/36/61/13/511366113.db2.gz JQPSSLTUQYEXRU-UHFFFAOYSA-N 0 0 361.423 2.765 20 10 FFCDRN O=C(NC1CCOCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000363187667 511406271 /nfs/dbraw/zinc/40/62/71/511406271.db2.gz CPGYQBZZACMGFE-UHFFFAOYSA-N 0 0 369.412 2.735 20 10 FFCDRN CCOc1cccc(CNc2ccc(C)c(N3C(=O)CNC3=O)c2)c1O ZINC000280290227 511408482 /nfs/dbraw/zinc/40/84/82/511408482.db2.gz OBYUFBYYEAXOHX-UHFFFAOYSA-N 0 0 355.394 2.768 20 10 FFCDRN CC[C@H]1NC(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O ZINC000272077961 511423830 /nfs/dbraw/zinc/42/38/30/511423830.db2.gz FDEOSDBEDMMURK-TZMCWYRMSA-N 0 0 353.369 2.587 20 10 FFCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@H]1CNC(=O)O1 ZINC000298851917 511430627 /nfs/dbraw/zinc/43/06/27/511430627.db2.gz NDYWAPZSGODNPJ-GFCCVEGCSA-N 0 0 361.423 2.542 20 10 FFCDRN CC[C@H](C)NC(=O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298885783 511441641 /nfs/dbraw/zinc/44/16/41/511441641.db2.gz MWGZMAYNHMWEMM-HNNXBMFYSA-N 0 0 360.502 2.731 20 10 FFCDRN COC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nc1 ZINC000298942473 511459434 /nfs/dbraw/zinc/45/94/34/511459434.db2.gz GHRSOOGWVBEJFE-UHFFFAOYSA-N 0 0 355.438 2.985 20 10 FFCDRN C[C@H](c1ccccc1)N(C)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000283770834 511494748 /nfs/dbraw/zinc/49/47/48/511494748.db2.gz SVICMNLZCGVDHM-QGZVFWFLSA-N 0 0 363.461 2.899 20 10 FFCDRN COc1cc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)cc(OC)c1OC ZINC000272810940 511508057 /nfs/dbraw/zinc/50/80/57/511508057.db2.gz NJWPOGXISQQEIJ-LLVKDONJSA-N 0 0 361.394 2.923 20 10 FFCDRN COc1cccc(CNC(=O)NCCCCNC(=O)OC(C)(C)C)c1O ZINC000273052510 511516860 /nfs/dbraw/zinc/51/68/60/511516860.db2.gz XNLWKYUOEWIRBY-UHFFFAOYSA-N 0 0 367.446 2.505 20 10 FFCDRN CCOC(=O)c1ccnc(N[C@H](C)Cc2ccc(O)c(O)c2)c1[N+](=O)[O-] ZINC000273139336 511517967 /nfs/dbraw/zinc/51/79/67/511517967.db2.gz UBINUEDGBMKLMT-SNVBAGLBSA-N 0 0 361.354 2.621 20 10 FFCDRN CC(C)NC(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000273164806 511518702 /nfs/dbraw/zinc/51/87/02/511518702.db2.gz LEOBABXSHRREHK-ZDUSSCGKSA-N 0 0 371.437 2.989 20 10 FFCDRN COc1cc(/C=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(OC)c1 ZINC000273194915 511520415 /nfs/dbraw/zinc/52/04/15/511520415.db2.gz QJBPTSKUQGYFHC-VUDGCMKMSA-N 0 0 357.406 2.876 20 10 FFCDRN COc1ccc(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(OC)c1 ZINC000273209991 511520454 /nfs/dbraw/zinc/52/04/54/511520454.db2.gz STJLYRKNTUUEAN-PPGNKHEKSA-N 0 0 357.406 2.876 20 10 FFCDRN Cc1cnc([C@@H](C)CNC(=O)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000273421632 511525053 /nfs/dbraw/zinc/52/50/53/511525053.db2.gz RXMFCOAFAXEMHJ-AWEZNQCLSA-N 0 0 374.510 2.891 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCOC[C@H](C2CCC2)C1 ZINC000292283411 511536996 /nfs/dbraw/zinc/53/69/96/511536996.db2.gz QYOKYAWBENLGOO-AQDCRGGLSA-N 0 0 370.493 2.812 20 10 FFCDRN CNC(=O)[C@]1(C)CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000280634080 511541986 /nfs/dbraw/zinc/54/19/86/511541986.db2.gz ANNUUXKDNLMIBY-OAQYLSRUSA-N 0 0 369.465 2.701 20 10 FFCDRN CCOc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000299235350 511561610 /nfs/dbraw/zinc/56/16/10/511561610.db2.gz RQGBCHWIIKMURR-UHFFFAOYSA-N 0 0 369.465 2.921 20 10 FFCDRN Cc1cc(C(=O)NCC2(S(C)(=O)=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000280715324 511574836 /nfs/dbraw/zinc/57/48/36/511574836.db2.gz HTAXROWYPYYVME-UHFFFAOYSA-N 0 0 364.442 2.540 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc(N3CCOCC3)ccc2C)c1O ZINC000280728092 511580421 /nfs/dbraw/zinc/58/04/21/511580421.db2.gz KGOVOAVNMRGDCK-UHFFFAOYSA-N 0 0 371.437 2.868 20 10 FFCDRN COc1cc(N2CCN(C(=O)NCC(C)(C)C)CC2)cc(OC)c1OC ZINC000273801774 511613666 /nfs/dbraw/zinc/61/36/66/511613666.db2.gz COXUUPMUKAAHMA-UHFFFAOYSA-N 0 0 365.474 2.590 20 10 FFCDRN O=C(NCc1ccccc1O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000299540855 511662402 /nfs/dbraw/zinc/66/24/02/511662402.db2.gz VOBBMVBIKINNFD-UHFFFAOYSA-N 0 0 355.438 2.589 20 10 FFCDRN CC1CCN(c2ccc(CNc3ncccc3S(N)(=O)=O)cc2)CC1 ZINC000301303856 511692557 /nfs/dbraw/zinc/69/25/57/511692557.db2.gz YXSSTNIPWJJISK-UHFFFAOYSA-N 0 0 360.483 2.577 20 10 FFCDRN CS(=O)(=O)c1ccc(NCc2ccc(N3CC=CC3)cc2)c([N+](=O)[O-])c1 ZINC000301332411 511696084 /nfs/dbraw/zinc/69/60/84/511696084.db2.gz FBPOWCPSAILAMR-UHFFFAOYSA-N 0 0 373.434 2.987 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](c4cccs4)C3)cc2N1 ZINC000301693045 511698928 /nfs/dbraw/zinc/69/89/28/511698928.db2.gz YPSFIJBJFFNVSG-AWEZNQCLSA-N 0 0 361.379 2.565 20 10 FFCDRN COc1ccc(N2CCCN(c3ccc4nnc(C(F)F)n4n3)CC2)cc1 ZINC000301708976 511701237 /nfs/dbraw/zinc/70/12/37/511701237.db2.gz UFBIFLJPSDHZKI-UHFFFAOYSA-N 0 0 374.395 2.787 20 10 FFCDRN CN(C)c1ccc(CNc2ncnc3ccc(S(C)(=O)=O)cc32)cc1F ZINC000302893956 511718893 /nfs/dbraw/zinc/71/88/93/511718893.db2.gz OMEHKECCGJYKOU-UHFFFAOYSA-N 0 0 374.441 2.851 20 10 FFCDRN COC1CCN(c2ccc(CN3CCC[C@@H]3c3nncn3C)cc2)CC1 ZINC000296415655 511733952 /nfs/dbraw/zinc/73/39/52/511733952.db2.gz WYSIHSZGOKNUFC-LJQANCHMSA-N 0 0 355.486 2.767 20 10 FFCDRN COc1ccccc1[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284501771 511748084 /nfs/dbraw/zinc/74/80/84/511748084.db2.gz SFNHJWKOCSJZDG-OAHLLOKOSA-N 0 0 369.465 2.597 20 10 FFCDRN CCC[C@@H](C)C(=O)NCCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000292867080 511750997 /nfs/dbraw/zinc/75/09/97/511750997.db2.gz BRMAMGOSBRTBNA-MRXNPFEDSA-N 0 0 360.502 2.638 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(OCC(F)F)n1 ZINC000274219526 511758261 /nfs/dbraw/zinc/75/82/61/511758261.db2.gz OPGZZYGGIYYAQM-UHFFFAOYSA-N 0 0 353.325 2.501 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@H](c3ncon3)C2)c(C)n1-c1ccccc1C ZINC000363775880 511760375 /nfs/dbraw/zinc/76/03/75/511760375.db2.gz HRSGNYXEULXILT-GOSISDBHSA-N 0 0 366.421 2.999 20 10 FFCDRN CCOC(=O)Cc1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000281332672 511808058 /nfs/dbraw/zinc/80/80/58/511808058.db2.gz JRZHHYBOUMIGHS-ZDUSSCGKSA-N 0 0 372.421 2.956 20 10 FFCDRN NC(=S)c1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000281551431 511888279 /nfs/dbraw/zinc/88/82/79/511888279.db2.gz KYCROTQWRRIXKA-KRWDZBQOSA-N 0 0 370.474 2.848 20 10 FFCDRN Cc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1C(=O)N(C)C ZINC000281566272 511892901 /nfs/dbraw/zinc/89/29/01/511892901.db2.gz YRFMVWGEMCDYHP-CYBMUJFWSA-N 0 0 371.437 2.861 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1 ZINC000293261985 511899451 /nfs/dbraw/zinc/89/94/51/511899451.db2.gz BZPDFCVEDZFTOU-CQSZACIVSA-N 0 0 370.453 2.728 20 10 FFCDRN COc1cc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)ccc1O ZINC000281844718 511987809 /nfs/dbraw/zinc/98/78/09/511987809.db2.gz RFYWPHXIZCPZMD-RUDMXATFSA-N 0 0 354.406 2.889 20 10 FFCDRN CN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@@H](CO)c1ccccc1 ZINC000297148730 512038305 /nfs/dbraw/zinc/03/83/05/512038305.db2.gz IWEPHTIXMNJVNA-ZRFOIIEFSA-N 0 0 366.461 2.728 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(C(C)=O)cn3)CC2)cc1 ZINC000297226564 512067678 /nfs/dbraw/zinc/06/76/78/512067678.db2.gz PXQHPYADDXLICB-UHFFFAOYSA-N 0 0 354.410 2.647 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](C)Cc2cnc3ccccc3n2)c1O ZINC000293735580 512068260 /nfs/dbraw/zinc/06/82/60/512068260.db2.gz PKBVCLOGBUEWQI-CYBMUJFWSA-N 0 0 351.406 2.839 20 10 FFCDRN CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@]2(CCOC2)O1 ZINC000366533730 512076655 /nfs/dbraw/zinc/07/66/55/512076655.db2.gz UMZBSBHCTPDAIK-DYESRHJHSA-N 0 0 369.465 2.899 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000375815391 512522875 /nfs/dbraw/zinc/52/28/75/512522875.db2.gz NYQWTBXSLXKVDT-YLJYHZDGSA-N 0 0 361.486 2.622 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000375815389 512522940 /nfs/dbraw/zinc/52/29/40/512522940.db2.gz NYQWTBXSLXKVDT-PXNSSMCTSA-N 0 0 361.486 2.622 20 10 FFCDRN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000367682946 512613875 /nfs/dbraw/zinc/61/38/75/512613875.db2.gz JAUIWYZBNJKYPJ-KEYYUXOJSA-N 0 0 366.889 2.941 20 10 FFCDRN Cn1cc(C[C@@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)cn1 ZINC000369983533 512712050 /nfs/dbraw/zinc/71/20/50/512712050.db2.gz DVBFWDROLKKKBE-SFHVURJKSA-N 0 0 365.481 2.571 20 10 FFCDRN Cn1nccc1NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000372338055 512823227 /nfs/dbraw/zinc/82/32/27/512823227.db2.gz PBXYUPPVVMESGD-UHFFFAOYSA-N 0 0 365.384 2.812 20 10 FFCDRN COc1ccc(N2CCCN(c3ncncc3Br)CC2)cc1 ZINC000370653759 513035445 /nfs/dbraw/zinc/03/54/45/513035445.db2.gz OALUUNGAXULUKP-UHFFFAOYSA-N 0 0 363.259 2.964 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cn(C)nc1C(F)(F)F ZINC000446346256 513242573 /nfs/dbraw/zinc/24/25/73/513242573.db2.gz KYDGYRJRJINGNI-UHFFFAOYSA-N 0 0 369.347 2.936 20 10 FFCDRN Cc1cccc(C(=O)N[C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000413531618 513701374 /nfs/dbraw/zinc/70/13/74/513701374.db2.gz MPGHDNCERKQNRK-HNNXBMFYSA-N 0 0 367.449 2.605 20 10 FFCDRN C[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)N1CCc2ccccc2C1 ZINC000437010643 514074557 /nfs/dbraw/zinc/07/45/57/514074557.db2.gz FFOFMGDCPTXIAV-MRXNPFEDSA-N 0 0 365.477 2.925 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCn1ncc(=O)c2ccccc21 ZINC000471217670 514802804 /nfs/dbraw/zinc/80/28/04/514802804.db2.gz AODUOLYRWOIGIX-UHFFFAOYSA-N 0 0 374.444 2.903 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000471222125 514804013 /nfs/dbraw/zinc/80/40/13/514804013.db2.gz ASMBDVPWWMAYGL-IBGZPJMESA-N 0 0 363.417 2.893 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000471932738 515059659 /nfs/dbraw/zinc/05/96/59/515059659.db2.gz OYXHFHUCCRULLW-HZPDHXFCSA-N 0 0 370.497 2.933 20 10 FFCDRN CCc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1c(C)c2ccccc2n1C ZINC000472062955 515107862 /nfs/dbraw/zinc/10/78/62/515107862.db2.gz LRNAYOLGUCXOMZ-HNNXBMFYSA-N 0 0 366.469 2.975 20 10 FFCDRN CC[C@H]1C(=O)N(CC)CCN1C(=O)NCc1c(C)c2ccccc2n1C ZINC000472242081 515182377 /nfs/dbraw/zinc/18/23/77/515182377.db2.gz SLQWMPGVSSZVRZ-INIZCTEOSA-N 0 0 356.470 2.639 20 10 FFCDRN COCCOC[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000460267627 516094448 /nfs/dbraw/zinc/09/44/48/516094448.db2.gz NLGXDSSVRGKHIF-AWEZNQCLSA-N 0 0 362.470 2.686 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCc3cn(C)cn3)ccc21 ZINC000457870292 516201308 /nfs/dbraw/zinc/20/13/08/516201308.db2.gz YSRZGLIPNFTXCX-UHFFFAOYSA-N 0 0 354.454 2.611 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3cccc(=O)[nH]3)ccc21 ZINC000540037653 516411394 /nfs/dbraw/zinc/41/13/94/516411394.db2.gz WNTDWIBOPHEQEN-UHFFFAOYSA-N 0 0 353.422 2.935 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3cncc4nncn43)ccc21 ZINC000540764875 516700568 /nfs/dbraw/zinc/70/05/68/516700568.db2.gz MEMHHKQUSXGWNM-UHFFFAOYSA-N 0 0 364.409 2.595 20 10 FFCDRN COc1cccc(CNC(=O)Cc2ccc(OC)c(OC(F)F)c2)c1O ZINC000528859002 516754691 /nfs/dbraw/zinc/75/46/91/516754691.db2.gz FSFZDMGKLLZPMB-UHFFFAOYSA-N 0 0 367.348 2.870 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCCCC[C@@H]1C(N)=O ZINC000525925142 517237197 /nfs/dbraw/zinc/23/71/97/517237197.db2.gz JMLAKZDYWIYGBU-JKSUJKDBSA-N 0 0 356.470 2.720 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCCCC[C@H]1C(N)=O ZINC000525925139 517238107 /nfs/dbraw/zinc/23/81/07/517238107.db2.gz JMLAKZDYWIYGBU-CVEARBPZSA-N 0 0 356.470 2.720 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCc1cccs1 ZINC000559437816 517256769 /nfs/dbraw/zinc/25/67/69/517256769.db2.gz RUWCVDZTLNEEAV-UHFFFAOYSA-N 0 0 355.463 2.523 20 10 FFCDRN CCN(Cc1ccncc1)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000515901710 517507225 /nfs/dbraw/zinc/50/72/25/517507225.db2.gz HDSHFCIGIOPUKA-UHFFFAOYSA-N 0 0 364.449 2.547 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCc3ccn(C)n3)ccc21 ZINC000546184667 517588935 /nfs/dbraw/zinc/58/89/35/517588935.db2.gz LLSARSYLTZXMPS-UHFFFAOYSA-N 0 0 354.454 2.611 20 10 FFCDRN Cc1cc(C)nc(-n2nccc2NC(=O)c2ccc(C3=S=CC=C3)o2)n1 ZINC000543083599 517899843 /nfs/dbraw/zinc/89/98/43/517899843.db2.gz SPMBSOFFHKTCRR-UHFFFAOYSA-N 0 0 365.418 2.750 20 10 FFCDRN Cc1ncsc1CN(C)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000570961047 518862170 /nfs/dbraw/zinc/86/21/70/518862170.db2.gz WJLCXAQIFDLRIN-UHFFFAOYSA-N 0 0 370.478 2.526 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC(=O)NC3CCCC3)ccc21 ZINC000590671237 519310361 /nfs/dbraw/zinc/31/03/61/519310361.db2.gz LUNARKWWNBNGEK-UHFFFAOYSA-N 0 0 371.481 2.693 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[C@@H](O)C34CCC4)ccc21 ZINC000619086500 521391313 /nfs/dbraw/zinc/39/13/13/521391313.db2.gz ZEBNBQAIVNHCTR-RTBURBONSA-N 0 0 356.466 2.938 20 10 FFCDRN COc1cccc(COCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000608250291 521638324 /nfs/dbraw/zinc/63/83/24/521638324.db2.gz FVSHFAMBPGXKGT-UHFFFAOYSA-N 0 0 356.422 2.703 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000608259126 521640454 /nfs/dbraw/zinc/64/04/54/521640454.db2.gz QIPLCQJPHRVIST-UHFFFAOYSA-N 0 0 358.463 2.829 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000737271358 599064811 /nfs/dbraw/zinc/06/48/11/599064811.db2.gz TYWSXSYUMVOTJA-UHFFFAOYSA-N 0 0 353.386 2.761 20 10 FFCDRN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(F)cc1F ZINC000739793259 600315400 /nfs/dbraw/zinc/31/54/00/600315400.db2.gz DGGLHASEDFKHMA-INIZCTEOSA-N 0 0 371.767 2.944 20 10 FFCDRN COc1cc(Br)cc(C[NH2+]Cc2ccc(C(=O)[O-])o2)c1O ZINC000737846189 600523631 /nfs/dbraw/zinc/52/36/31/600523631.db2.gz URORBIBLCKCEFP-UHFFFAOYSA-N 0 0 356.172 2.744 20 10 FFCDRN CC(C)(CNC(=O)[O-])[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000738751991 602317937 /nfs/dbraw/zinc/31/79/37/602317937.db2.gz HEYWKHMBIBJPNB-UHFFFAOYSA-N 0 0 350.419 2.721 20 10 FFCDRN O=C([O-])N1CCC([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000831948193 604188432 /nfs/dbraw/zinc/18/84/32/604188432.db2.gz PCBYMZVSHSIFNK-UHFFFAOYSA-N 0 0 369.412 2.989 20 10 FFCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)cc1OC ZINC000833888179 605500680 /nfs/dbraw/zinc/50/06/80/605500680.db2.gz WEVBYBXSYVCQEP-UKRRQHHQSA-N 0 0 364.442 2.764 20 10 FFCDRN COc1cc(O)c(C[NH+]2CCC(CCN(C)C(=O)[O-])CC2)cc1OC ZINC000833887511 605627526 /nfs/dbraw/zinc/62/75/26/605627526.db2.gz HCFNVHVMNJOXGO-UHFFFAOYSA-N 0 0 352.431 2.621 20 10 FFCDRN Cc1cc(Br)cc(C[N@H+]2CC[C@@H]([C@H](C)NC(=O)[O-])C2)c1O ZINC000833896947 605655128 /nfs/dbraw/zinc/65/51/28/605655128.db2.gz BRYMMHIUTKPBRL-WDEREUQCSA-N 0 0 357.248 2.941 20 10 FFCDRN O=C([O-])N[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000834149770 605826415 /nfs/dbraw/zinc/82/64/15/605826415.db2.gz IBHRXYNUKBKBHC-OAHLLOKOSA-N 0 0 362.430 2.721 20 10 FFCDRN O=C(Nc1cccc(N2CCCC2)c1)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000823364077 606672107 /nfs/dbraw/zinc/67/21/07/606672107.db2.gz YKFWLMYEPOEFAP-UHFFFAOYSA-N 0 0 370.363 2.997 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1c[nH]c(=S)n1-c1ccccc1 ZINC000153904994 728790791 /nfs/dbraw/zinc/79/07/91/728790791.db2.gz YDXBRGSNAWCPGT-UHFFFAOYSA-N 0 0 355.419 2.545 20 10 FFCDRN CCOC(=O)N[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000153994389 728793389 /nfs/dbraw/zinc/79/33/89/728793389.db2.gz LFDCZUAKZVRMJS-LBPRGKRZSA-N 0 0 357.248 2.865 20 10 FFCDRN Cn1cc(C[C@H]2CCN(C(=O)NCCCSc3nccs3)C2)cn1 ZINC000154607934 728808026 /nfs/dbraw/zinc/80/80/26/728808026.db2.gz PKHMDBRMHILKBV-CYBMUJFWSA-N 0 0 365.528 2.633 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@H](O)Cc1ccccc1 ZINC000154631427 728808802 /nfs/dbraw/zinc/80/88/02/728808802.db2.gz BPVZJILFZGOFMA-AWEZNQCLSA-N 0 0 351.497 2.528 20 10 FFCDRN COc1cccc(CNS(=O)(=O)Cc2cccc3cccnc32)c1O ZINC000161107006 728929057 /nfs/dbraw/zinc/92/90/57/728929057.db2.gz VDNVNBGBWXMMGV-UHFFFAOYSA-N 0 0 358.419 2.569 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC1CCS(=O)(=O)CC1 ZINC000162000907 728938074 /nfs/dbraw/zinc/93/80/74/728938074.db2.gz LVDJIYRKSSBROB-UHFFFAOYSA-N 0 0 366.508 2.710 20 10 FFCDRN CCC[C@@H](C)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n[nH]1 ZINC000743628352 735310770 /nfs/dbraw/zinc/31/07/70/735310770.db2.gz QAYSDLCQIIRJCG-SNVBAGLBSA-N 0 0 366.443 2.643 20 10 FFCDRN COC[C@@](C)(O)CNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000743772178 735319311 /nfs/dbraw/zinc/31/93/11/735319311.db2.gz LTOIFSZHIZPTMO-SFHVURJKSA-N 0 0 350.846 2.875 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](n2ccnn2)CC1 ZINC000898754091 735404450 /nfs/dbraw/zinc/40/44/50/735404450.db2.gz FGLGJZOYSJSYNP-LBPRGKRZSA-N 0 0 358.423 2.771 20 10 FFCDRN CSC1(CNC(=O)NCc2ccc(N(C)C)cc2C)CCOCC1 ZINC000745827810 735446942 /nfs/dbraw/zinc/44/69/42/735446942.db2.gz LEHRELXQWPQDLE-UHFFFAOYSA-N 0 0 351.516 2.772 20 10 FFCDRN COC(=O)[C@H](C)Oc1ccccc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000899260477 735467535 /nfs/dbraw/zinc/46/75/35/735467535.db2.gz IGBXVCQXBCLVAG-RSYJBZMQSA-N 0 0 363.460 2.991 20 10 FFCDRN CNC(=O)COC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000011486788 727810372 /nfs/dbraw/zinc/81/03/72/727810372.db2.gz ROEUUARKVXPGIM-UHFFFAOYSA-N 0 0 365.227 2.759 20 10 FFCDRN CC(=O)c1cccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000030418997 727902785 /nfs/dbraw/zinc/90/27/85/727902785.db2.gz KJURBQITVQDHKF-UHFFFAOYSA-N 0 0 358.463 2.968 20 10 FFCDRN COC(=O)COc1ccccc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000899341792 735477862 /nfs/dbraw/zinc/47/78/62/735477862.db2.gz JRJDFMGYRHAPDY-RVDMUPIBSA-N 0 0 360.435 2.695 20 10 FFCDRN CC(=O)NCCCCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000058455694 728116041 /nfs/dbraw/zinc/11/60/41/728116041.db2.gz WUTXGCYJKIWPHS-UHFFFAOYSA-N 0 0 363.527 2.553 20 10 FFCDRN Cc1cc(C(=O)NCCCSc2nccs2)c(N)c([N+](=O)[O-])c1 ZINC000077013797 728270762 /nfs/dbraw/zinc/27/07/62/728270762.db2.gz HLCXDUZDBFWMAZ-UHFFFAOYSA-N 0 0 352.441 2.854 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CSCC(=O)OC(C)(C)C)cc1F ZINC000078099057 728291264 /nfs/dbraw/zinc/29/12/64/728291264.db2.gz CKZURCLHGQXWNQ-UHFFFAOYSA-N 0 0 356.463 2.583 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccccc2S(C)(=O)=O)cc1 ZINC000079389874 728312315 /nfs/dbraw/zinc/31/23/15/728312315.db2.gz OQPUAFCBBPMOQB-UHFFFAOYSA-N 0 0 360.479 2.866 20 10 FFCDRN C[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000746892194 735517681 /nfs/dbraw/zinc/51/76/81/735517681.db2.gz PPLQNHABMZTONR-JQWIXIFHSA-N 0 0 370.471 2.944 20 10 FFCDRN Cc1ccc(Cl)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000092604236 728469225 /nfs/dbraw/zinc/46/92/25/728469225.db2.gz XZYRHNRWXDDPBR-UHFFFAOYSA-N 0 0 354.815 2.978 20 10 FFCDRN CCCOc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC ZINC000747148355 735538497 /nfs/dbraw/zinc/53/84/97/735538497.db2.gz WGLJKLFDQGBJOJ-FOWTUZBSSA-N 0 0 362.451 2.787 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000120218787 728607928 /nfs/dbraw/zinc/60/79/28/728607928.db2.gz WNRJPBGNDQLHEC-UHFFFAOYSA-N 0 0 353.827 2.721 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(CCS(C)(=O)=O)C(C)C)cc1 ZINC000122175947 728644947 /nfs/dbraw/zinc/64/49/47/728644947.db2.gz VBJWRBZHYHDTKI-UHFFFAOYSA-N 0 0 362.495 2.989 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cncc(Br)c1 ZINC000126910496 728704945 /nfs/dbraw/zinc/70/49/45/728704945.db2.gz PZCBLMUUMOCRNZ-UHFFFAOYSA-N 0 0 352.188 2.620 20 10 FFCDRN CCN(CC)c1ccc(CN2CCc3cc(S(N)(=O)=O)ccc32)cc1 ZINC000127240741 728705829 /nfs/dbraw/zinc/70/58/29/728705829.db2.gz KHKWEKQFBORSOI-UHFFFAOYSA-N 0 0 359.495 2.743 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@]1(O)CCc2ccccc21 ZINC000130869844 728720914 /nfs/dbraw/zinc/72/09/14/728720914.db2.gz PFSQWPIWNZIGAU-KRWDZBQOSA-N 0 0 363.508 2.759 20 10 FFCDRN COc1ccc(N(C)Cc2cccc(S(=O)(=O)N(C)C)c2)c(OC)c1 ZINC000132036512 728723521 /nfs/dbraw/zinc/72/35/21/728723521.db2.gz CJIHTOOATNPHGQ-UHFFFAOYSA-N 0 0 364.467 2.591 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]n1 ZINC000173026018 729038413 /nfs/dbraw/zinc/03/84/13/729038413.db2.gz IGIAHRFQZIABRU-GFCCVEGCSA-N 0 0 350.369 2.718 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1 ZINC000751318183 735863643 /nfs/dbraw/zinc/86/36/43/735863643.db2.gz KQGQEBDHPIWPMM-LLVKDONJSA-N 0 0 366.395 2.657 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000751318621 735863725 /nfs/dbraw/zinc/86/37/25/735863725.db2.gz NDWPICBSQVCLIT-LLVKDONJSA-N 0 0 366.395 2.657 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000751317828 735863772 /nfs/dbraw/zinc/86/37/72/735863772.db2.gz HXZRAESWTVTRIF-NSHDSACASA-N 0 0 366.395 2.657 20 10 FFCDRN CC[N@H+](Cc1cc(Br)ccc1O)[C@@H]1CCN(C(C)C)C1=O ZINC000175285467 729092593 /nfs/dbraw/zinc/09/25/93/729092593.db2.gz CNBPPEHVQZEMQL-CQSZACIVSA-N 0 0 355.276 2.986 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CSCCS1 ZINC000176999434 729125571 /nfs/dbraw/zinc/12/55/71/729125571.db2.gz SCKSQCJVUKCAPH-HNNXBMFYSA-N 0 0 354.566 2.705 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1cc(F)ccc1F ZINC000177762943 729145750 /nfs/dbraw/zinc/14/57/50/729145750.db2.gz RCGBOTSFFYPRFS-UHFFFAOYSA-N 0 0 357.407 2.658 20 10 FFCDRN O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000179343191 729184424 /nfs/dbraw/zinc/18/44/24/729184424.db2.gz ZIPHSMUMVMSHJE-CQSZACIVSA-N 0 0 367.287 2.893 20 10 FFCDRN CC[C@@H](CSC)NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000181452596 729247949 /nfs/dbraw/zinc/24/79/49/729247949.db2.gz MJZLZYZMNQDNCH-ZDUSSCGKSA-N 0 0 355.479 2.808 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)C2=Cc3ccccc3OCC2)cc1 ZINC000186122996 729360731 /nfs/dbraw/zinc/36/07/31/729360731.db2.gz AHXQQPPLNBWFBR-UHFFFAOYSA-N 0 0 358.463 2.996 20 10 FFCDRN CCc1nc(NC(=O)C(=O)NCCCSc2nccs2)sc1C ZINC000193108604 729468539 /nfs/dbraw/zinc/46/85/39/729468539.db2.gz FZQCFXLBYZFXNJ-UHFFFAOYSA-N 0 0 370.525 2.708 20 10 FFCDRN O=C1N[C@@H](c2cc(Cl)ccc2O)Nc2ccc(N3CCOCC3)cc21 ZINC000193506023 729481314 /nfs/dbraw/zinc/48/13/14/729481314.db2.gz UYHXEIAFCVYJDI-KRWDZBQOSA-N 0 0 359.813 2.736 20 10 FFCDRN O=C1/C(=C\c2ccc(Cl)s2)SC(=S)N1CCN1CCOCC1 ZINC000255849595 729647625 /nfs/dbraw/zinc/64/76/25/729647625.db2.gz UVPNEEUYCQJLCG-PKNBQFBNSA-N 0 0 374.940 2.935 20 10 FFCDRN Cc1ncc(/C=C/C(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000856211228 730316160 /nfs/dbraw/zinc/31/61/60/730316160.db2.gz JFBNNXBMVIFLOK-VOTSOKGWSA-N 0 0 357.479 2.742 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(O)ccc1Cl ZINC000856213498 730316401 /nfs/dbraw/zinc/31/64/01/730316401.db2.gz OHVTWWRSFBJYOK-UHFFFAOYSA-N 0 0 360.841 2.937 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCC[C@@H]3CC3(F)F)C2)cc1 ZINC000856865296 730362958 /nfs/dbraw/zinc/36/29/58/730362958.db2.gz QEXKAFMHSQUEME-ZIAGYGMSSA-N 0 0 353.413 2.866 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@]12CCC[C@@H]1CN(C(=O)C1=CC(=O)CS1)C2 ZINC000857418682 730396393 /nfs/dbraw/zinc/39/63/93/730396393.db2.gz MZIBPCXHKBVMAA-PIGZYNQJSA-N 0 0 352.456 2.973 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c1 ZINC000860765809 730545132 /nfs/dbraw/zinc/54/51/32/730545132.db2.gz GLCGXWFLIXCUSI-DLUDVSRJSA-N 0 0 360.479 2.746 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@@]2(CCSC2)C1 ZINC000645353229 730546619 /nfs/dbraw/zinc/54/66/19/730546619.db2.gz RFYJMLAAFMQLBH-IBGZPJMESA-N 0 0 359.495 2.904 20 10 FFCDRN Cc1cn2c(n1)C[C@H](C(=O)NCc1cccc(Br)c1O)CC2 ZINC000861332715 730599525 /nfs/dbraw/zinc/59/95/25/730599525.db2.gz RHTCONVCDUJYLM-LLVKDONJSA-N 0 0 364.243 2.538 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ocnc3C(F)F)C2)cc1 ZINC000862035110 730663221 /nfs/dbraw/zinc/66/32/21/730663221.db2.gz IVKXFGJBSSYGQS-NSHDSACASA-N 0 0 351.353 2.877 20 10 FFCDRN COC(=O)C[C@H]1CSCCN1Cc1c(O)cccc1Br ZINC000862247786 730681407 /nfs/dbraw/zinc/68/14/07/730681407.db2.gz CIARSASYFXIJFX-JTQLQIEISA-N 0 0 360.273 2.635 20 10 FFCDRN COC(=O)C[C@@H]1CSCCN1Cc1c(O)cccc1Br ZINC000862247787 730681418 /nfs/dbraw/zinc/68/14/18/730681418.db2.gz CIARSASYFXIJFX-SNVBAGLBSA-N 0 0 360.273 2.635 20 10 FFCDRN O=S1(=O)CCN(Cc2c(O)cccc2Br)[C@@H](C2CCC2)C1 ZINC000862391504 730696186 /nfs/dbraw/zinc/69/61/86/730696186.db2.gz DTYGTZJSLOFVGW-CQSZACIVSA-N 0 0 374.300 2.554 20 10 FFCDRN CS(=O)(=O)c1ccc([C@H]2CN(Cc3cccc(F)c3O)CCO2)cc1 ZINC000862439261 730702546 /nfs/dbraw/zinc/70/25/46/730702546.db2.gz RISIDBBOEKKYJF-QGZVFWFLSA-N 0 0 365.426 2.508 20 10 FFCDRN CN(CCOCC[N@H+](C)Cc1cc(F)ccc1O)C(=O)OC(C)(C)C ZINC000862489156 730705031 /nfs/dbraw/zinc/70/50/31/730705031.db2.gz BIIOXLWRFFAVPE-UHFFFAOYSA-N 0 0 356.438 2.847 20 10 FFCDRN CN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1c(O)cccc1Cl ZINC000862544281 730708418 /nfs/dbraw/zinc/70/84/18/730708418.db2.gz VEINOBZGLFFRFF-UHFFFAOYSA-N 0 0 362.813 2.887 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)CSCC(=O)N(C)C2CCCCC2)c1 ZINC000862759956 730723964 /nfs/dbraw/zinc/72/39/64/730723964.db2.gz NZHHFHAFQBJHGP-UHFFFAOYSA-N 0 0 364.511 2.841 20 10 FFCDRN Cc1cc(CNC(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000863164719 730753558 /nfs/dbraw/zinc/75/35/58/730753558.db2.gz UBXJVXKIEVFMGN-GOEBONIOSA-N 0 0 362.495 2.780 20 10 FFCDRN CSc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)co1 ZINC000864931734 730893137 /nfs/dbraw/zinc/89/31/37/730893137.db2.gz NVECPDKJGCOFSN-UHFFFAOYSA-N 0 0 350.415 2.907 20 10 FFCDRN C[C@H](NC(=O)c1cnn(C(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000865018474 730903322 /nfs/dbraw/zinc/90/33/22/730903322.db2.gz LLDCVPBHXXQOGC-LBPRGKRZSA-N 0 0 350.369 2.606 20 10 FFCDRN CCOC(=O)c1ncc(/C=C2\SC(N3CCCCC3)=NC2=O)s1 ZINC000865217438 730924793 /nfs/dbraw/zinc/92/47/93/730924793.db2.gz MBZNOAQYYBGQAV-FLIBITNWSA-N 0 0 351.453 2.776 20 10 FFCDRN CCO[C@@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)[C@@H]1CCOC1 ZINC000865636592 730980119 /nfs/dbraw/zinc/98/01/19/730980119.db2.gz MZKDPIBDULURLT-CRAIPNDOSA-N 0 0 352.450 2.730 20 10 FFCDRN O=C(CCC1CCCC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000916676845 737719671 /nfs/dbraw/zinc/71/96/71/737719671.db2.gz WEOWTKNJGLWTLF-UHFFFAOYSA-N 0 0 364.511 2.508 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)C[C@@H]3CCC3(F)F)CC2)cc1 ZINC000866561516 731073961 /nfs/dbraw/zinc/07/39/61/731073961.db2.gz GHFMQHQDOSRUCZ-AWEZNQCLSA-N 0 0 374.453 2.582 20 10 FFCDRN COC[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C(C)C ZINC000925443705 738506878 /nfs/dbraw/zinc/50/68/78/738506878.db2.gz AJXCCMQSDCMADY-ZDUSSCGKSA-N 0 0 354.834 2.728 20 10 FFCDRN CCOC1CC2(C[C@H]2C(=O)NCc2cccc(Br)c2O)C1 ZINC000867831432 731231633 /nfs/dbraw/zinc/23/16/33/731231633.db2.gz YROCKXANVMPAFO-BGMSHATGSA-N 0 0 354.244 2.976 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCCC(=O)N2)c1ccccc1O ZINC000867834580 731232154 /nfs/dbraw/zinc/23/21/54/731232154.db2.gz RENROXRWBOHYBS-GFCCVEGCSA-N 0 0 360.435 2.707 20 10 FFCDRN C[C@@H](NC(=O)NCCCS(=O)(=O)c1ccccc1)c1ccccc1O ZINC000868155335 731264746 /nfs/dbraw/zinc/26/47/46/731264746.db2.gz MPLGOZOESRMEQN-CQSZACIVSA-N 0 0 362.451 2.616 20 10 FFCDRN C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000919724721 737874398 /nfs/dbraw/zinc/87/43/98/737874398.db2.gz ALUKDBIWFLHCIS-HOTGVXAUSA-N 0 0 351.516 2.599 20 10 FFCDRN C[C@H](CNC(=O)N[C@@H](C)c1ccccc1O)CNC(=O)OC(C)(C)C ZINC000868431012 731291467 /nfs/dbraw/zinc/29/14/67/731291467.db2.gz VSCCPGZUUOZEGF-OLZOCXBDSA-N 0 0 351.447 2.913 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCCn2nccc21 ZINC000869218378 731376145 /nfs/dbraw/zinc/37/61/45/731376145.db2.gz MCPKUDVFZQXUJP-GFCCVEGCSA-N 0 0 365.231 2.686 20 10 FFCDRN COc1c(O)c(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000775053426 738057515 /nfs/dbraw/zinc/05/75/15/738057515.db2.gz XMGOZLGROWQXBO-CYBMUJFWSA-N 0 0 354.403 2.765 20 10 FFCDRN O=C([C@H]1CC(=O)N(c2ccccc2Cl)C1)N1Cc2cccc(O)c2C1 ZINC000871198552 731605312 /nfs/dbraw/zinc/60/53/12/731605312.db2.gz JNUZPHPBSFMMNF-ZDUSSCGKSA-N 0 0 356.809 2.941 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCc3nocc3C)CC2)cc1 ZINC000871712002 731670737 /nfs/dbraw/zinc/67/07/37/731670737.db2.gz JIRJEZGBNPTZDL-UHFFFAOYSA-N 0 0 361.467 2.574 20 10 FFCDRN CC(C)c1nccn1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000874081641 732007079 /nfs/dbraw/zinc/00/70/79/732007079.db2.gz KJCBCYWSRFJSES-UHFFFAOYSA-N 0 0 358.511 2.876 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC000874465397 732061756 /nfs/dbraw/zinc/06/17/56/732061756.db2.gz YKMCHCVIVDIWSA-CYBMUJFWSA-N 0 0 365.480 2.526 20 10 FFCDRN CN(C(=O)C1=CC[C@H](NC(=O)OC(C)(C)C)C1)c1ccc(Cl)nn1 ZINC000875324039 732143993 /nfs/dbraw/zinc/14/39/93/732143993.db2.gz QKGSMQUBKKAGQP-NSHDSACASA-N 0 0 352.822 2.706 20 10 FFCDRN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000780837191 738580846 /nfs/dbraw/zinc/58/08/46/738580846.db2.gz DKGZERXEZLUGQQ-UHFFFAOYSA-N 0 0 359.762 2.772 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccc(S(N)(=O)=O)s2)C2CC2)cc1 ZINC000876570625 732258096 /nfs/dbraw/zinc/25/80/96/732258096.db2.gz IUQIZLLEGBTZIP-UHFFFAOYSA-N 0 0 365.524 2.626 20 10 FFCDRN Cc1c(C(=O)N(C)c2ccc(N)cc2)sc2nc3n(c(=O)c12)CCC3 ZINC000877080010 732321870 /nfs/dbraw/zinc/32/18/70/732321870.db2.gz DOVBNUUSBYIKLZ-UHFFFAOYSA-N 0 0 354.435 2.571 20 10 FFCDRN CSc1nccnc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000878437526 732531926 /nfs/dbraw/zinc/53/19/26/732531926.db2.gz OJHRGKIOTLHJSV-ZDUSSCGKSA-N 0 0 358.467 2.526 20 10 FFCDRN CN(C)[C@@H](CCNC(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000926821852 738658307 /nfs/dbraw/zinc/65/83/07/738658307.db2.gz MUACQDNFEVVYFB-LBPRGKRZSA-N 0 0 353.772 2.727 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCN(c3cccnn3)CC2)c1 ZINC000781906606 738670208 /nfs/dbraw/zinc/67/02/08/738670208.db2.gz ZSBPUMKCMYIVGL-UHFFFAOYSA-N 0 0 363.259 2.575 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000781910352 738671575 /nfs/dbraw/zinc/67/15/75/738671575.db2.gz UPZNCTKCGAIAEC-LSDHHAIUSA-N 0 0 356.260 2.843 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000881919132 733136778 /nfs/dbraw/zinc/13/67/78/733136778.db2.gz JZPCRGYDHHLNRD-VHSXEESVSA-N 0 0 368.282 2.965 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCc2nnn(C)c2C1)c1cc(Br)c(F)cc1[O-] ZINC000927147848 738696798 /nfs/dbraw/zinc/69/67/98/738696798.db2.gz TYFDXLDWQHYSSI-BDAKNGLRSA-N 0 0 369.238 2.630 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCNc1ncccn1 ZINC000883031308 733324008 /nfs/dbraw/zinc/32/40/08/733324008.db2.gz RDJQIIDDWRQMRJ-UHFFFAOYSA-N 0 0 355.211 2.676 20 10 FFCDRN COC1([C@H](C)[NH2+]Cc2cc(Br)cc(F)c2[O-])CCOCC1 ZINC000883148006 733342277 /nfs/dbraw/zinc/34/22/77/733342277.db2.gz QLBGLNUYBGFQNH-JTQLQIEISA-N 0 0 362.239 2.968 20 10 FFCDRN CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2cc(F)cc(F)c2[O-])CC1 ZINC000883197995 733349763 /nfs/dbraw/zinc/34/97/63/733349763.db2.gz XKCCISJZANHCFL-UHFFFAOYSA-N 0 0 356.413 2.566 20 10 FFCDRN COc1ccc(OC)c([C@@H](O)[C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])c1 ZINC000883204103 733350388 /nfs/dbraw/zinc/35/03/88/733350388.db2.gz SFDARXUJWZGOGO-QGHHPUGFSA-N 0 0 353.365 2.899 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(C)nc1OC ZINC000883963743 733463728 /nfs/dbraw/zinc/46/37/28/733463728.db2.gz ALBSEYLDFSJVQN-UHFFFAOYSA-N 0 0 368.231 2.559 20 10 FFCDRN C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cccc(Br)c3[O-])O2)CO1 ZINC000886333916 733775085 /nfs/dbraw/zinc/77/50/85/733775085.db2.gz OLKHMFIQHWNENY-AXAPSJFSSA-N 0 0 356.260 2.971 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3c(Cl)c(C)nn3C)CC2)cc1 ZINC000888648794 734082531 /nfs/dbraw/zinc/08/25/31/734082531.db2.gz OFFVXJKFSKBQFE-UHFFFAOYSA-N 0 0 363.849 2.745 20 10 FFCDRN Cc1nn(C)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1Cl ZINC000888664882 734083972 /nfs/dbraw/zinc/08/39/72/734083972.db2.gz WDJMSISFRNDHGF-UHFFFAOYSA-N 0 0 363.849 2.540 20 10 FFCDRN COCC[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)C1=CC(=O)CS1 ZINC000890661584 734328397 /nfs/dbraw/zinc/32/83/97/734328397.db2.gz BDAJANCKRWPGGM-LBPRGKRZSA-N 0 0 370.471 2.552 20 10 FFCDRN NC(=O)c1ccc(NC(=S)NCCN2CCCc3ccccc32)cc1 ZINC000726482210 734430062 /nfs/dbraw/zinc/43/00/62/734430062.db2.gz YZZCNCZBIMUJSE-UHFFFAOYSA-N 0 0 354.479 2.525 20 10 FFCDRN COc1ccc(N2CCCN(Cc3nc(Br)c[nH]3)CC2)cc1 ZINC000891775306 734474792 /nfs/dbraw/zinc/47/47/92/734474792.db2.gz LPKUIUKDJJDQRX-UHFFFAOYSA-N 0 0 365.275 2.893 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2nccn2CC(F)(F)F)cc1 ZINC000727843999 734503237 /nfs/dbraw/zinc/50/32/37/734503237.db2.gz ZHHOJXFCVKYJGG-UHFFFAOYSA-N 0 0 355.364 2.511 20 10 FFCDRN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cnn1C ZINC000728839732 734545588 /nfs/dbraw/zinc/54/55/88/734545588.db2.gz YRDDFYNPYKHHRH-UHFFFAOYSA-N 0 0 354.376 2.999 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C)c(S(C)(=O)=O)c2)c1 ZINC000728981974 734553014 /nfs/dbraw/zinc/55/30/14/734553014.db2.gz GOODFRMUOTTZER-LBPRGKRZSA-N 0 0 363.435 2.604 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cccc(SC)c2)c1 ZINC000729066623 734556984 /nfs/dbraw/zinc/55/69/84/734556984.db2.gz NTKISKBYRJCYCP-NSHDSACASA-N 0 0 360.435 2.939 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000729286395 734569369 /nfs/dbraw/zinc/56/93/69/734569369.db2.gz PBRMCKCNWZZGMH-HZPDHXFCSA-N 0 0 361.511 2.995 20 10 FFCDRN O=C(COC(=O)c1ccc(SCCCO)cc1)c1ccc(O)c(O)c1 ZINC000783706967 738828004 /nfs/dbraw/zinc/82/80/04/738828004.db2.gz IARIRUXJJZEQIN-UHFFFAOYSA-N 0 0 362.403 2.612 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1F ZINC000731345769 734675220 /nfs/dbraw/zinc/67/52/20/734675220.db2.gz IBFNQHUYMHCIMH-ZDUSSCGKSA-N 0 0 351.466 2.839 20 10 FFCDRN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)c1C ZINC000731909666 734704886 /nfs/dbraw/zinc/70/48/86/734704886.db2.gz ILMUXRWZRLNYMD-SECBINFHSA-N 0 0 351.380 2.613 20 10 FFCDRN COc1ccc(CN(C)C(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)cc1F ZINC000732353200 734736980 /nfs/dbraw/zinc/73/69/80/734736980.db2.gz NUKNEOVONOOPFI-SNVBAGLBSA-N 0 0 367.398 2.805 20 10 FFCDRN Cc1ncc(/C=C/C(=O)N2CCCc3ccc(S(C)(=O)=O)cc32)s1 ZINC000732735375 734760844 /nfs/dbraw/zinc/76/08/44/734760844.db2.gz CDVNAQJAAXIVDW-SOFGYWHQSA-N 0 0 362.476 2.848 20 10 FFCDRN O=C(NC1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1)C1CC1 ZINC000893918771 734771564 /nfs/dbraw/zinc/77/15/64/734771564.db2.gz FTERIAGXPKYELA-UHFFFAOYSA-N 0 0 371.250 2.784 20 10 FFCDRN CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000733290825 734804842 /nfs/dbraw/zinc/80/48/42/734804842.db2.gz BFFAGNIBVQSSGZ-AWEZNQCLSA-N 0 0 362.495 2.956 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000733876837 734855428 /nfs/dbraw/zinc/85/54/28/734855428.db2.gz TULBHXFWFKDXKX-OAHLLOKOSA-N 0 0 364.442 2.540 20 10 FFCDRN CC(C)[C@H](C(=O)NCCCSc1nccs1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000733878607 734855474 /nfs/dbraw/zinc/85/54/74/734855474.db2.gz BHJVFXOVVOXOAK-QLFBSQMISA-N 0 0 371.572 2.875 20 10 FFCDRN Cc1c(CC(=O)NCCCSc2nccs2)nnn1-c1ccccc1 ZINC000733973790 734865047 /nfs/dbraw/zinc/86/50/47/734865047.db2.gz WRWPZRQYTOYCMW-UHFFFAOYSA-N 0 0 373.507 2.873 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CN(C)c2nc3ccccc3s2)c1 ZINC000734016913 734867929 /nfs/dbraw/zinc/86/79/29/734867929.db2.gz NOHVQKHHVJVYGE-UHFFFAOYSA-N 0 0 357.435 2.763 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2c3c(nn2C)CCSC3)cc1 ZINC000895138677 734967722 /nfs/dbraw/zinc/96/77/22/734967722.db2.gz ZESZGSQOGJTEJP-UHFFFAOYSA-N 0 0 360.527 2.786 20 10 FFCDRN C[S@@](=O)CCNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000737292935 735005707 /nfs/dbraw/zinc/00/57/07/735005707.db2.gz HSRKWXVENKZSTN-RUZDIDTESA-N 0 0 358.423 2.535 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)c3cccnc3Cl)ccc21 ZINC000738366031 735029946 /nfs/dbraw/zinc/02/99/46/735029946.db2.gz SPMSRIBKSDYSCW-UHFFFAOYSA-N 0 0 351.859 2.596 20 10 FFCDRN CC(C)(C)NS(=O)(=O)C1(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000895614506 735032483 /nfs/dbraw/zinc/03/24/83/735032483.db2.gz OYHLONMIOCVJJK-UHFFFAOYSA-N 0 0 364.870 2.525 20 10 FFCDRN Cn1nc(C(F)(F)F)cc1CNC(=O)NCc1cccc(Cl)c1O ZINC000896666750 735179007 /nfs/dbraw/zinc/17/90/07/735179007.db2.gz SGCVUTIXMNWYOR-UHFFFAOYSA-N 0 0 362.739 2.797 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)CC[C@H]2CO)c1[O-] ZINC000897173509 735201024 /nfs/dbraw/zinc/20/10/24/735201024.db2.gz VUDVQEGIPQLLPP-AWEZNQCLSA-N 0 0 370.833 2.707 20 10 FFCDRN CCO[C@H]1C[C@@](O)(CNC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC000897534792 735244083 /nfs/dbraw/zinc/24/40/83/735244083.db2.gz RZFVTSRZONOGMP-MAUKXSAKSA-N 0 0 365.451 2.608 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cn(CC)cn2)cc1 ZINC000747241902 735548479 /nfs/dbraw/zinc/54/84/79/735548479.db2.gz ZAYJUOCXDQYOFO-UHFFFAOYSA-N 0 0 350.488 2.570 20 10 FFCDRN CN(C)c1nc(CNC(=O)NCc2ccc3c(c2)CCCN3C)cs1 ZINC000747511730 735568079 /nfs/dbraw/zinc/56/80/79/735568079.db2.gz NDADORTTXLGDIS-UHFFFAOYSA-N 0 0 359.499 2.591 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnc(NC4CC4)s3)CC2)cc1 ZINC000899940302 735570944 /nfs/dbraw/zinc/57/09/44/735570944.db2.gz KFISFDXITQGNMZ-UHFFFAOYSA-N 0 0 358.467 2.688 20 10 FFCDRN O=C(NCc1ccccc1O)c1nc(NCc2ccco2)ncc1Cl ZINC000748344816 735636575 /nfs/dbraw/zinc/63/65/75/735636575.db2.gz CIONOYNSRNAWAO-UHFFFAOYSA-N 0 0 358.785 2.971 20 10 FFCDRN CC1(O)CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000749607868 735734168 /nfs/dbraw/zinc/73/41/68/735734168.db2.gz QTQYUPYNPRAYBQ-UHFFFAOYSA-N 0 0 363.527 2.733 20 10 FFCDRN COCCN(CC(=O)OC(C)(C)C)Cc1cc(F)cc(C(C)=O)c1O ZINC000750825682 735818242 /nfs/dbraw/zinc/81/82/42/735818242.db2.gz IUTSLFMITLLDFS-UHFFFAOYSA-N 0 0 355.406 2.524 20 10 FFCDRN COc1ccc(OCCCS(=O)(=O)Nc2ccc(O)cc2OC)cc1 ZINC000901704332 735823427 /nfs/dbraw/zinc/82/34/27/735823427.db2.gz QUUYIXJPUHGFIB-UHFFFAOYSA-N 0 0 367.423 2.620 20 10 FFCDRN CCOCCNC(=S)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000750981049 735833040 /nfs/dbraw/zinc/83/30/40/735833040.db2.gz MQLLHKAYAKOFCZ-SFHVURJKSA-N 0 0 365.543 2.645 20 10 FFCDRN CCOc1ccc(S(=O)(=O)NCc2cccc(OC)c2O)c(C)c1 ZINC000751306133 735862643 /nfs/dbraw/zinc/86/26/43/735862643.db2.gz QKZVUEPPLGMJHU-UHFFFAOYSA-N 0 0 351.424 2.586 20 10 FFCDRN COCc1cccc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000751326898 735864775 /nfs/dbraw/zinc/86/47/75/735864775.db2.gz UZRDSILOZNXZHO-LBPRGKRZSA-N 0 0 351.424 2.587 20 10 FFCDRN CCC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc(O)c(C)c3)cc21 ZINC000901907257 735865657 /nfs/dbraw/zinc/86/56/57/735865657.db2.gz IXQAULMQKROHJR-UHFFFAOYSA-N 0 0 360.435 2.801 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2ccc(-c3ccncc3)cc2F)SC1=S ZINC000751527278 735890595 /nfs/dbraw/zinc/89/05/95/735890595.db2.gz SJQOCLGBMQRKCM-RIYZIHGNSA-N 0 0 373.434 2.574 20 10 FFCDRN CCN(CC)C(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751930411 735936584 /nfs/dbraw/zinc/93/65/84/735936584.db2.gz DRQURMWSONZLHI-LBPRGKRZSA-N 0 0 361.467 2.730 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3sccc3C)CC2)cc1F ZINC000754040308 736118733 /nfs/dbraw/zinc/11/87/33/736118733.db2.gz NVVJKXMSJGOMIP-UHFFFAOYSA-N 0 0 370.471 2.715 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C/c2ccc(F)c(C(F)(F)F)c2)SC1=S ZINC000755379944 736251919 /nfs/dbraw/zinc/25/19/19/736251919.db2.gz MRHYARSSJFBURI-WTKPLQERSA-N 0 0 364.345 2.531 20 10 FFCDRN C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000756405149 736328428 /nfs/dbraw/zinc/32/84/28/736328428.db2.gz XNQXIKAGBFARFC-SECBINFHSA-N 0 0 355.287 2.631 20 10 FFCDRN C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756456753 736333190 /nfs/dbraw/zinc/33/31/90/736333190.db2.gz OGAGWPXJJOKZFN-LBPRGKRZSA-N 0 0 355.406 2.936 20 10 FFCDRN O=C(NCCCSc1nccs1)NCCc1cnc(C2CC2)nc1 ZINC000756730510 736356193 /nfs/dbraw/zinc/35/61/93/736356193.db2.gz ZKQOBRCRXJREGJ-UHFFFAOYSA-N 0 0 363.512 2.835 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])[C@@H]1CN(C)CCO1 ZINC000756760115 736359725 /nfs/dbraw/zinc/35/97/25/736359725.db2.gz OHOLWDRNCKXLQL-WMFXKJRFSA-N 0 0 361.255 2.664 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000757207514 736397523 /nfs/dbraw/zinc/39/75/23/736397523.db2.gz HSEYVZDJQQCKJB-UHFFFAOYSA-N 0 0 365.773 2.962 20 10 FFCDRN COc1cc(OC)cc(N2CC[C@H](CNC(=O)C3=CC(=O)CS3)C2)c1 ZINC000757426134 736405410 /nfs/dbraw/zinc/40/54/10/736405410.db2.gz XUGRLFMEKIIIGH-GFCCVEGCSA-N 0 0 362.451 2.727 20 10 FFCDRN COc1ccc(N(C)CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)cc1F ZINC000757853268 736430968 /nfs/dbraw/zinc/43/09/68/736430968.db2.gz ZIBBSSGEYBPGGM-WFASDCNBSA-N 0 0 351.422 2.675 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@@H](C)CC2(C)OCCO2)c1 ZINC000758861844 736526722 /nfs/dbraw/zinc/52/67/22/736526722.db2.gz OWBZMNUJRDRTQL-QWHCGFSZSA-N 0 0 352.431 2.550 20 10 FFCDRN COC(=O)C[C@@H](C)C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000759069077 736544911 /nfs/dbraw/zinc/54/49/11/736544911.db2.gz OYYLGKJVPSDUMR-GFCCVEGCSA-N 0 0 360.376 2.843 20 10 FFCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])[C@]12CCCO2 ZINC000759176497 736553097 /nfs/dbraw/zinc/55/30/97/736553097.db2.gz HXWJZHCMKIBPFE-SQWLQELKSA-N 0 0 356.260 2.971 20 10 FFCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@@]12CCCO2 ZINC000759177747 736553141 /nfs/dbraw/zinc/55/31/41/736553141.db2.gz PURCWUXUDRYVKV-LZWOXQAQSA-N 0 0 356.806 2.770 20 10 FFCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])[C@]12CCCO2 ZINC000759176490 736553143 /nfs/dbraw/zinc/55/31/43/736553143.db2.gz HXWJZHCMKIBPFE-IIAWOOMASA-N 0 0 356.260 2.971 20 10 FFCDRN COc1ccccc1[C@@H](O)CNC(=O)NCCCSc1nccs1 ZINC000759592291 736579139 /nfs/dbraw/zinc/57/91/39/736579139.db2.gz ZMTMKPHCVISLEF-ZDUSSCGKSA-N 0 0 367.496 2.667 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCO[C@H](C(F)(F)F)C1 ZINC000759589340 736579156 /nfs/dbraw/zinc/57/91/56/736579156.db2.gz HITANDUWZGZTHU-VIFPVBQESA-N 0 0 355.407 2.598 20 10 FFCDRN Cc1ccc(C)c(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000760549478 736649414 /nfs/dbraw/zinc/64/94/14/736649414.db2.gz SWTISCZSTUOZSZ-UHFFFAOYSA-N 0 0 362.451 2.653 20 10 FFCDRN COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c1O ZINC000761198101 736705978 /nfs/dbraw/zinc/70/59/78/736705978.db2.gz HFABKXGDASRYCH-HIFRSBDPSA-N 0 0 359.875 2.596 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000761971730 736778187 /nfs/dbraw/zinc/77/81/87/736778187.db2.gz BBXFBJXRBMDCSW-GFCCVEGCSA-N 0 0 363.435 2.685 20 10 FFCDRN CS(=O)(=O)[C@@H]1CCCN(Cc2cc(Br)ccc2O)CC1 ZINC000800534597 740532382 /nfs/dbraw/zinc/53/23/82/740532382.db2.gz PZRBBNIDAIMXKB-CYBMUJFWSA-N 0 0 362.289 2.554 20 10 FFCDRN C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000762790169 736868091 /nfs/dbraw/zinc/86/80/91/736868091.db2.gz XSJYKBAGCQXACA-LKFCYVNXSA-N 0 0 363.683 2.525 20 10 FFCDRN Cc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)c(F)c1 ZINC000763314271 736926936 /nfs/dbraw/zinc/92/69/36/736926936.db2.gz VSAWFUASHQHQQV-UHFFFAOYSA-N 0 0 363.370 2.928 20 10 FFCDRN Cc1cnc(CNC(=O)NCc2cccc(Br)c2O)s1 ZINC000764792594 737050007 /nfs/dbraw/zinc/05/00/07/737050007.db2.gz WFLWTUCWHCJYEV-UHFFFAOYSA-N 0 0 356.245 2.919 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCOCC(F)(F)C(F)F)c1 ZINC000764834969 737054354 /nfs/dbraw/zinc/05/43/54/737054354.db2.gz IVCOUQCJNHERCH-VIFPVBQESA-N 0 0 368.327 2.678 20 10 FFCDRN CN(CCCF)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000910536127 737086129 /nfs/dbraw/zinc/08/61/29/737086129.db2.gz XOWHZOLCYQHNEP-UHFFFAOYSA-N 0 0 350.434 2.872 20 10 FFCDRN O=C(NCCc1ccccn1)NCc1cccc(Br)c1O ZINC000765443261 737119632 /nfs/dbraw/zinc/11/96/32/737119632.db2.gz ANQWBBHSRUJOED-UHFFFAOYSA-N 0 0 350.216 2.592 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1ccc(-n2ccnn2)cc1 ZINC000765727823 737149466 /nfs/dbraw/zinc/14/94/66/737149466.db2.gz PIKAJKXKZXSHAI-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000765864495 737168122 /nfs/dbraw/zinc/16/81/22/737168122.db2.gz BRZMVULKVIPEEL-QGZVFWFLSA-N 0 0 352.456 2.927 20 10 FFCDRN CN(C)c1ccc(CN(C)c2ncc(I)cn2)cc1 ZINC000766042848 737185994 /nfs/dbraw/zinc/18/59/94/737185994.db2.gz NWFYPRIZUZMRHW-UHFFFAOYSA-N 0 0 368.222 2.784 20 10 FFCDRN C[C@H](CC(=O)[O-])CC(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911369110 737195474 /nfs/dbraw/zinc/19/54/74/737195474.db2.gz NFKNGBXIBOVERP-WFASDCNBSA-N 0 0 368.861 2.627 20 10 FFCDRN COc1ccccc1S(=O)(=O)NCc1cccc(Br)c1O ZINC000766200842 737206497 /nfs/dbraw/zinc/20/64/97/737206497.db2.gz OPDDBXRJTYIVGR-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN CN1CCO[C@@H]([C@@H](NC(=O)C2=CC(=O)CS2)c2ccc(Cl)cc2)C1 ZINC000766250079 737212586 /nfs/dbraw/zinc/21/25/86/737212586.db2.gz RTAGZGXHPIRALO-ZBFHGGJFSA-N 0 0 366.870 2.909 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)[C@H]1COc2ccccc2O1 ZINC000804738315 740901882 /nfs/dbraw/zinc/90/18/82/740901882.db2.gz LLQXTLOAYDNWDZ-OAHLLOKOSA-N 0 0 364.195 2.611 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cn(CC)c(C)n2)cc1F ZINC000767255493 737306666 /nfs/dbraw/zinc/30/66/66/737306666.db2.gz OZVCDGLWCFTLHT-UHFFFAOYSA-N 0 0 368.478 2.675 20 10 FFCDRN CCc1ccccc1CCOC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000768632899 737443423 /nfs/dbraw/zinc/44/34/23/737443423.db2.gz ZZOODRBHUXJSFB-UHFFFAOYSA-N 0 0 363.435 2.726 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000769144256 737500470 /nfs/dbraw/zinc/50/04/70/737500470.db2.gz KLGMQAGCEBSPAJ-IUODEOHRSA-N 0 0 373.569 2.979 20 10 FFCDRN CC(C)(C)OC(=O)NCCN(CC(F)(F)F)C(=O)C1=CC(=O)CS1 ZINC000914086720 737501941 /nfs/dbraw/zinc/50/19/41/737501941.db2.gz LBDWEFYDPQQEEO-UHFFFAOYSA-N 0 0 368.377 2.983 20 10 FFCDRN C[C@H](CNC(=O)Nc1ccc(N=Nc2ccccc2)cc1)S(N)(=O)=O ZINC000769209978 737507420 /nfs/dbraw/zinc/50/74/20/737507420.db2.gz ORPUJVCFSDFXOD-GFCCVEGCSA-N 0 0 361.427 2.901 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnc(Cl)n1C ZINC000769401404 737524721 /nfs/dbraw/zinc/52/47/21/737524721.db2.gz RTJNHODGVHLGQB-UHFFFAOYSA-N 0 0 370.906 2.739 20 10 FFCDRN CSc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769646084 737549847 /nfs/dbraw/zinc/54/98/47/737549847.db2.gz AROWETMTDNBUMO-UHFFFAOYSA-N 0 0 352.437 2.738 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N(C2CC2)C2CCCCC2)c1 ZINC000769722663 737558091 /nfs/dbraw/zinc/55/80/91/737558091.db2.gz RBSPGCSXLRFOML-UHFFFAOYSA-N 0 0 352.456 2.701 20 10 FFCDRN Cc1nc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)sc1C ZINC000770235961 737608318 /nfs/dbraw/zinc/60/83/18/737608318.db2.gz IOAKWNPEOGSSNS-UHFFFAOYSA-N 0 0 363.458 2.790 20 10 FFCDRN C[C@@H]1CN(C(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)CCO1 ZINC000915217195 737615363 /nfs/dbraw/zinc/61/53/63/737615363.db2.gz NNOBBJBRIYURCJ-GFCCVEGCSA-N 0 0 358.360 2.585 20 10 FFCDRN COC(=O)C[C@]1([NH2+]Cc2cc(C)cc(Br)c2[O-])CCCOC1 ZINC000770677784 737652248 /nfs/dbraw/zinc/65/22/48/737652248.db2.gz MBGUEWDONCRPAY-MRXNPFEDSA-N 0 0 372.259 2.665 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1csc(-c2ccccn2)n1 ZINC000915988614 737668993 /nfs/dbraw/zinc/66/89/93/737668993.db2.gz XLVJANJHICVHHG-UKTHLTGXSA-N 0 0 358.448 2.508 20 10 FFCDRN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1cncs1 ZINC000771056679 737689990 /nfs/dbraw/zinc/68/99/90/737689990.db2.gz GJTYWXYTRWPFCT-ZDUSSCGKSA-N 0 0 351.859 2.897 20 10 FFCDRN COCCOc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(Cl)c1 ZINC000771416611 737724747 /nfs/dbraw/zinc/72/47/47/737724747.db2.gz IVNSUMRCYDZUCC-UHFFFAOYSA-N 0 0 351.786 2.706 20 10 FFCDRN CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000771416087 737724789 /nfs/dbraw/zinc/72/47/89/737724789.db2.gz DPTNGIORKUEENW-SMDDNHRTSA-N 0 0 352.431 2.881 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CCOC3(CCSCC3)C2)c1 ZINC000771552184 737734843 /nfs/dbraw/zinc/73/48/43/737734843.db2.gz KUTVBSKNOXMZDF-CQSZACIVSA-N 0 0 366.483 2.645 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNS(=O)(=O)CC3CCC3)cc2F)C[C@H](C)O1 ZINC000771729325 737750165 /nfs/dbraw/zinc/75/01/65/737750165.db2.gz AOIACSTWHJQSPR-OKILXGFUSA-N 0 0 370.490 2.659 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000771763331 737753500 /nfs/dbraw/zinc/75/35/00/737753500.db2.gz WJCLTIQTDIKLPH-GFCCVEGCSA-N 0 0 363.435 2.765 20 10 FFCDRN CS(=O)(=O)c1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 ZINC000918156079 737796044 /nfs/dbraw/zinc/79/60/44/737796044.db2.gz 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737937407 /nfs/dbraw/zinc/93/74/07/737937407.db2.gz AMTQYVONBIEXBD-SFKKXYGYSA-N 0 0 359.495 2.901 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000814824589 741867780 /nfs/dbraw/zinc/86/77/80/741867780.db2.gz CCUUAGIXHQTLJQ-QGZVFWFLSA-N 0 0 366.527 2.706 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774143985 737964319 /nfs/dbraw/zinc/96/43/19/737964319.db2.gz OOQLQQDROYUYNS-VHSXEESVSA-N 0 0 367.298 2.774 20 10 FFCDRN Cc1ccc(F)c(NC(=S)NCc2cccc(N3CCOCC3)n2)c1 ZINC000774253551 737973930 /nfs/dbraw/zinc/97/39/30/737973930.db2.gz BSYNMDJADWFMPJ-UHFFFAOYSA-N 0 0 360.458 2.852 20 10 FFCDRN Cc1nn(C)c(CNCc2ccc(N3CCC(O)CC3)c(F)c2)c1Cl ZINC000921588641 738009459 /nfs/dbraw/zinc/00/94/59/738009459.db2.gz YQLKZNSIQPNWPQ-UHFFFAOYSA-N 0 0 366.868 2.772 20 10 FFCDRN CCOC(=O)[C@H](CC)N(Cc1ccc([N+](=O)[O-])c(OC)c1O)C1CC1 ZINC000775100170 738061773 /nfs/dbraw/zinc/06/17/73/738061773.db2.gz BAHUSRPDVPMMQB-ZDUSSCGKSA-N 0 0 352.387 2.615 20 10 FFCDRN 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367.449 2.725 20 10 FFCDRN C[C@H](NC(=O)N1CCC2(CC1)C[C@H](O)CCO2)c1ccc(N(C)C)cc1 ZINC000922053993 987576569 /nfs/dbraw/zinc/57/65/69/987576569.db2.gz HZMFMWMVINHVBG-MAUKXSAKSA-N 0 0 361.486 2.529 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)C2(C#N)CCCCC2)cc1 ZINC000064203205 987596614 /nfs/dbraw/zinc/59/66/14/987596614.db2.gz ZSMSACIHPMWNKR-UHFFFAOYSA-N 0 0 357.454 2.728 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)CNC(=O)Cc2ccccc2)C2CC2)cc1 ZINC000914439917 987683207 /nfs/dbraw/zinc/68/32/07/987683207.db2.gz QEHAUQBTHZNXSC-UHFFFAOYSA-N 0 0 365.477 2.603 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)c1 ZINC000761723314 987749552 /nfs/dbraw/zinc/74/95/52/987749552.db2.gz DAMLQHAFOBOGQE-GFCCVEGCSA-N 0 0 369.421 2.912 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000762268586 988264323 /nfs/dbraw/zinc/26/43/23/988264323.db2.gz MJXLJPDMCKXYCH-FQEVSTJZSA-N 0 0 371.433 2.693 20 10 FFCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NC[C@H]1CC(=O)N(C)C1)N=[N+]=[N-] ZINC001168722528 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CCOc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1OCC ZINC000916590254 989831614 /nfs/dbraw/zinc/83/16/14/989831614.db2.gz SNCPNDVIJLULRB-UHFFFAOYSA-N 0 0 360.362 2.935 20 10 FFCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CN(CCO)C(C)C)c2C)cc1 ZINC000916645243 989883232 /nfs/dbraw/zinc/88/32/32/989883232.db2.gz ZBKXILWLAWLUOX-UHFFFAOYSA-N 0 0 372.465 2.766 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCC[C@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000917092936 990131688 /nfs/dbraw/zinc/13/16/88/990131688.db2.gz AQJBYAIWPSEIFO-PKYBCLHXSA-N 0 0 368.393 2.955 20 10 FFCDRN C[C@@H](NC(=O)C1CCCC1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917094856 990132959 /nfs/dbraw/zinc/13/29/59/990132959.db2.gz MGAWJDIGHRYTKT-OAHLLOKOSA-N 0 0 357.498 2.939 20 10 FFCDRN O=S(=O)(NCc1ccc(O)cc1O)c1cccc2c(Cl)ccnc21 ZINC001212224130 990144641 /nfs/dbraw/zinc/14/46/41/990144641.db2.gz XTGUYLJHFOCQMJ-UHFFFAOYSA-N 0 0 364.810 2.778 20 10 FFCDRN CNC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000033212701 990150224 /nfs/dbraw/zinc/15/02/24/990150224.db2.gz CFPFNWIJDUPXCV-IBGZPJMESA-N 0 0 369.465 2.843 20 10 FFCDRN CCc1nc([C@@H]2CCCCN2CC(=O)NCc2ccc(N(C)C)cc2)no1 ZINC000917184212 990165093 /nfs/dbraw/zinc/16/50/93/990165093.db2.gz MULTYJFIYLDACY-KRWDZBQOSA-N 0 0 371.485 2.541 20 10 FFCDRN Cc1ccc2oc(=O)n(CN(C)Cc3ccc(N4CCOCC4)cc3)c2c1 ZINC000917613430 990252816 /nfs/dbraw/zinc/25/28/16/990252816.db2.gz HJCXTGODMCQASM-UHFFFAOYSA-N 0 0 367.449 2.829 20 10 FFCDRN COC(=O)N1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000918660962 990463041 /nfs/dbraw/zinc/46/30/41/990463041.db2.gz JCHVSMWJCOZATJ-UHFFFAOYSA-N 0 0 355.438 2.927 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2ccc(OC)c(OC)c2C)c1 ZINC000918746323 990486794 /nfs/dbraw/zinc/48/67/94/990486794.db2.gz VRAHNYZWNGNDHO-UHFFFAOYSA-N 0 0 360.410 2.726 20 10 FFCDRN Oc1cccc(F)c1CN1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001137839079 990545253 /nfs/dbraw/zinc/54/52/53/990545253.db2.gz QLYYIFHCHQTGPD-UHFFFAOYSA-N 0 0 356.323 2.662 20 10 FFCDRN CC(C)(C)OC(=O)N1CCCO[C@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])C1 ZINC000708391888 990659212 /nfs/dbraw/zinc/65/92/12/990659212.db2.gz YCKDMYIKXAVRAA-CQSZACIVSA-N 0 0 372.412 2.786 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3=NO[C@@H](c4ccccc4)C3)CC2)cc1 ZINC000919688950 990709737 /nfs/dbraw/zinc/70/97/37/990709737.db2.gz LVLXWOMJYNRUCR-HXUWFJFHSA-N 0 0 365.433 2.861 20 10 FFCDRN Cc1cc(CCNC(=O)CCN2CCOC2=O)c(C)n1-c1ccccc1 ZINC000919839712 990740226 /nfs/dbraw/zinc/74/02/26/990740226.db2.gz HNKILJFVNSLGKQ-UHFFFAOYSA-N 0 0 355.438 2.595 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC2CCN(OC)CC2)CCCC1 ZINC000652462810 1015594507 /nfs/dbraw/zinc/59/45/07/1015594507.db2.gz YITREJAGYLJDQV-UHFFFAOYSA-N 0 0 371.481 2.671 20 10 FFCDRN CC[NH+]1CCN(c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cc2)CC1 ZINC000074186288 991013707 /nfs/dbraw/zinc/01/37/07/991013707.db2.gz YSWSPXQZOKISEU-UHFFFAOYSA-N 0 0 366.509 2.825 20 10 FFCDRN COc1cccc([C@H]([NH2+]Cc2cc(F)c(N(C)C)cc2F)C(=O)[O-])c1 ZINC001599688019 991019011 /nfs/dbraw/zinc/01/90/11/991019011.db2.gz LWKXLXPRWLGTDC-KRWDZBQOSA-N 0 0 350.365 2.955 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCCCN(C)c2ccccc2)cc1OC ZINC000921233974 991019820 /nfs/dbraw/zinc/01/98/20/991019820.db2.gz GDKXUIWZVITPFD-UHFFFAOYSA-N 0 0 371.481 2.783 20 10 FFCDRN COc1ccccc1N1CC[C@@H](NC(=O)NCc2c(O)cccc2F)C1 ZINC000921425634 991083131 /nfs/dbraw/zinc/08/31/31/991083131.db2.gz LGACUPMQKFRJFC-CYBMUJFWSA-N 0 0 359.401 2.618 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000174965754 991127045 /nfs/dbraw/zinc/12/70/45/991127045.db2.gz GLFLMJIFIFPCLV-MRXNPFEDSA-N 0 0 373.840 2.993 20 10 FFCDRN COc1ccc(C)cc1NC(=O)CN1CCOc2cc(N(C)C)ccc21 ZINC000175029358 991147035 /nfs/dbraw/zinc/14/70/35/991147035.db2.gz LCUBILDSHKOVHR-UHFFFAOYSA-N 0 0 355.438 2.907 20 10 FFCDRN CCN(CC)C(=O)CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000064771459 991238531 /nfs/dbraw/zinc/23/85/31/991238531.db2.gz SAPYFFRNUZWBTR-UHFFFAOYSA-N 0 0 360.502 2.687 20 10 FFCDRN C[C@H](CNc1ccccc1)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000127911466 1015622048 /nfs/dbraw/zinc/62/20/48/1015622048.db2.gz DCNLWCQBIBVGQP-QGZVFWFLSA-N 0 0 368.481 2.823 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000879648001 1015624165 /nfs/dbraw/zinc/62/41/65/1015624165.db2.gz VLOCUXUVQOTOBL-ZIAGYGMSSA-N 0 0 358.438 2.765 20 10 FFCDRN Cc1nc2cc(NC(=O)C(=O)NCc3ccc(N(C)C)c(F)c3)ccc2o1 ZINC000179616900 991305120 /nfs/dbraw/zinc/30/51/20/991305120.db2.gz FMRDKEIIDZWKOL-UHFFFAOYSA-N 0 0 370.384 2.596 20 10 FFCDRN CN(C)c1ccc(/C=C/C(=O)N2CC[C@@H]3C[C@@]32C(=O)NC(C)(C)C)cc1 ZINC001273191288 991357839 /nfs/dbraw/zinc/35/78/39/991357839.db2.gz ATOLUGFTMGQSDB-WXDMHOHDSA-N 0 0 355.482 2.672 20 10 FFCDRN COc1ccc(N(C)C[C@@H](O)COc2cccc(C(C)=O)c2)cc1OC ZINC000068300873 991391530 /nfs/dbraw/zinc/39/15/30/991391530.db2.gz CZMJIHXYEXNFBT-QGZVFWFLSA-N 0 0 359.422 2.783 20 10 FFCDRN CCOc1cccc(CN2CCN(C(=O)NC3CCCCC3)CC2)c1O ZINC000180016771 991406947 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FFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000763660728 992700667 /nfs/dbraw/zinc/70/06/67/992700667.db2.gz UGRVEQLBZIKAAG-PMACEKPBSA-N 0 0 374.529 2.537 20 10 FFCDRN [O-]c1c(I)cccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001237784371 992717658 /nfs/dbraw/zinc/71/76/58/992717658.db2.gz USYNIOHAPBZWOY-MFKMUULPSA-N 0 0 359.207 2.608 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCN(C(C)=O)C[C@H]3C)c2C)cc1 ZINC000763683370 992730875 /nfs/dbraw/zinc/73/08/75/992730875.db2.gz RBRWFOHNQORZJW-OAHLLOKOSA-N 0 0 369.465 2.796 20 10 FFCDRN O=C(NCCC1=CCN(c2cc(Cl)c(=O)[nH]n2)CC1)[C@]12C[C@H]1CCC2 ZINC001089870734 992791516 /nfs/dbraw/zinc/79/15/16/992791516.db2.gz GAXLNPIORLUYBN-FZKQIMNGSA-N 0 0 362.861 2.669 20 10 FFCDRN CO[C@@]1(CNC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)CCOC1 ZINC000763705238 992825724 /nfs/dbraw/zinc/82/57/24/992825724.db2.gz JTLXCBBDBHZMMT-OAQYLSRUSA-N 0 0 371.481 2.741 20 10 FFCDRN Cc1cc(C(=O)CN2CCN3C(=O)OC[C@@H]3C2)c(C)n1-c1cccc(F)c1 ZINC000763715873 992897905 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370.384 2.855 20 10 FFCDRN CC(C)(C)NS(=O)(=O)c1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC001169993027 1000270191 /nfs/dbraw/zinc/27/01/91/1000270191.db2.gz LVGCCQTWAKTBCP-UHFFFAOYSA-N 0 0 350.440 2.787 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc3cc[nH]c(=O)c3s2)cc1 ZINC000846444694 1000303850 /nfs/dbraw/zinc/30/38/50/1000303850.db2.gz FRRLXRTUOXCQNF-UHFFFAOYSA-N 0 0 371.462 2.807 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2n[nH]nc2-c2ccccc2)cc1 ZINC000846441951 1000313107 /nfs/dbraw/zinc/31/31/07/1000313107.db2.gz GQLNGPNHNKREQI-UHFFFAOYSA-N 0 0 365.437 2.689 20 10 FFCDRN COc1ccc(-c2ccccc2NC(=O)CN2C(=O)CSC2=S)nc1 ZINC001144847308 1000334844 /nfs/dbraw/zinc/33/48/44/1000334844.db2.gz NYVSDQJAIROZQH-UHFFFAOYSA-N 0 0 373.459 2.556 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)cn2)cc1 ZINC000772940228 1000346223 /nfs/dbraw/zinc/34/62/23/1000346223.db2.gz UFONEWXRWSIPGI-UHFFFAOYSA-N 0 0 358.417 2.664 20 10 FFCDRN COC(=O)[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)CC1CC1 ZINC000846695747 1000411768 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363.414 2.871 20 10 FFCDRN COc1c(O)c(CNc2cc(N3CCNC3=O)ccc2C)ccc1[N+](=O)[O-] ZINC000787312244 1001684311 /nfs/dbraw/zinc/68/43/11/1001684311.db2.gz WKVNWSKEPDSFSG-UHFFFAOYSA-N 0 0 372.381 2.759 20 10 FFCDRN COC(COCCNC(=O)c1cc(C)n(-c2ccccc2C)c1C)OC ZINC000787925271 1001731074 /nfs/dbraw/zinc/73/10/74/1001731074.db2.gz USYUJCNKWTVEEF-UHFFFAOYSA-N 0 0 360.454 2.768 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCOc2ncccc2F)cc1 ZINC000746714819 1001732358 /nfs/dbraw/zinc/73/23/58/1001732358.db2.gz JLIMMUPISXBFHF-UHFFFAOYSA-N 0 0 360.433 2.945 20 10 FFCDRN O=C(NCCCC1CCCC1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000788223904 1001774596 /nfs/dbraw/zinc/77/45/96/1001774596.db2.gz LISGTTQZAFITIB-UHFFFAOYSA-N 0 0 355.482 2.766 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)C(C)(C)c3c[nH]cn3)cc2F)C[C@H](C)O1 ZINC000788287960 1001786017 /nfs/dbraw/zinc/78/60/17/1001786017.db2.gz LNCFJJHSUKXHGL-KBPBESRZSA-N 0 0 374.460 2.756 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N[C@H]1CCCc2occc21)c1ccc(N(C)C)cc1 ZINC000788614318 1001834204 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CCn1c2ccccc2n(CC(=O)Nc2c3nonc3ccc2Cl)c1=O ZINC001116850665 1021452919 /nfs/dbraw/zinc/45/29/19/1021452919.db2.gz TZCOUOKLSUALMC-UHFFFAOYSA-N 0 0 371.784 2.651 20 10 FFCDRN CCC(C)(C)N(C)C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000778285784 1021480899 /nfs/dbraw/zinc/48/08/99/1021480899.db2.gz PXFYVZNEXWJYIA-QXMHVHEDSA-N 0 0 373.497 2.547 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1cc(=O)c(O)cn1C ZINC000750195716 1021509654 /nfs/dbraw/zinc/50/96/54/1021509654.db2.gz LRBJZPRVENGYQS-UHFFFAOYSA-N 0 0 365.433 2.737 20 10 FFCDRN C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(F)ccc(O)c1O ZINC000829083655 1032996383 /nfs/dbraw/zinc/99/63/83/1032996383.db2.gz VYWNZEWZZLPOPQ-CMPLNLGQSA-N 0 0 368.405 2.612 20 10 FFCDRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)C2 ZINC000935311317 1021658692 /nfs/dbraw/zinc/65/86/92/1021658692.db2.gz PNOWQUKRUSNFIM-ZSEKCTLFSA-N 0 0 369.417 2.625 20 10 FFCDRN CCn1cc(-c2n[nH]cc2C(=O)N2CCCc3cc(OC)ccc32)cn1 ZINC000778373953 1021810343 /nfs/dbraw/zinc/81/03/43/1021810343.db2.gz FXSSDBAHRWZRGX-UHFFFAOYSA-N 0 0 351.410 2.895 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000778391914 1021899219 /nfs/dbraw/zinc/89/92/19/1021899219.db2.gz ZFIYCHISZWNAAS-MRVPVSSYSA-N 0 0 374.378 2.805 20 10 FFCDRN C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001117880710 1021955784 /nfs/dbraw/zinc/95/57/84/1021955784.db2.gz KVYWUCKHUKLXAS-PBHICJAKSA-N 0 0 370.424 2.894 20 10 FFCDRN CCN(C(=O)C(=O)NCCc1ccc(N)cc1)[C@@H](C)c1ccc(F)cc1 ZINC001117981210 1022000185 /nfs/dbraw/zinc/00/01/85/1022000185.db2.gz RMCSXLQJVRIRHJ-AWEZNQCLSA-N 0 0 357.429 2.676 20 10 FFCDRN CC(=O)N1CCC(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000043880584 1022281348 /nfs/dbraw/zinc/28/13/48/1022281348.db2.gz OMKIYDGZCLUVJF-UHFFFAOYSA-N 0 0 372.513 2.829 20 10 FFCDRN CC(C)N1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)CC1=O ZINC000750646402 1022284994 /nfs/dbraw/zinc/28/49/94/1022284994.db2.gz XQTYFOJSPBLLIB-SFHVURJKSA-N 0 0 372.513 2.828 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1nccc(Cl)c1F ZINC001118737812 1022376029 /nfs/dbraw/zinc/37/60/29/1022376029.db2.gz MXQZCGDYNQEWMS-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC001118754704 1022384926 /nfs/dbraw/zinc/38/49/26/1022384926.db2.gz LGQVXWJNZOKZSI-CABCVRRESA-N 0 0 361.438 2.659 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC2(CC2(F)F)C1 ZINC000829253638 1033064005 /nfs/dbraw/zinc/06/40/05/1033064005.db2.gz HYBMYIXNWFJYIT-UHFFFAOYSA-N 0 0 368.399 2.838 20 10 FFCDRN CCc1ccc(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1 ZINC000829262592 1033066078 /nfs/dbraw/zinc/06/60/78/1033066078.db2.gz FJFHDYXLHISVOD-UHFFFAOYSA-N 0 0 371.456 2.603 20 10 FFCDRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000779002313 1022630547 /nfs/dbraw/zinc/63/05/47/1022630547.db2.gz XHXRCKOLBPKFMD-JSGCOSHPSA-N 0 0 364.442 2.750 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CN1c2ccccc2O[C@@H](C)C1=O ZINC000750858594 1022657612 /nfs/dbraw/zinc/65/76/12/1022657612.db2.gz DHCHBYRJKFZBTB-HNNXBMFYSA-N 0 0 368.433 2.945 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3nc(C)ncc3C)C2)cc1 ZINC001119319160 1022680656 /nfs/dbraw/zinc/68/06/56/1022680656.db2.gz ULDXUEOOTQARAE-HNNXBMFYSA-N 0 0 355.442 2.750 20 10 FFCDRN O=c1cc(-c2ccc(O)cc2)oc2cc([O-])c(O)c(O[C@@H]3CCC[NH2+]C3)c12 ZINC001218282859 1033086362 /nfs/dbraw/zinc/08/63/62/1033086362.db2.gz BVNFBIGHANGDGC-CYBMUJFWSA-N 0 0 369.373 2.708 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@]12CCO[C@@H]1CCCC2 ZINC001119762683 1022983668 /nfs/dbraw/zinc/98/36/68/1022983668.db2.gz JKLQGXFHQUYDIK-UYAOXDASSA-N 0 0 362.445 2.628 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1cccc(C)c1 ZINC000752471337 1023147332 /nfs/dbraw/zinc/14/73/32/1023147332.db2.gz ZTGAGXQINOUDJS-INIZCTEOSA-N 0 0 351.450 2.896 20 10 FFCDRN Cc1cc(C(=O)CN2CCN(C[C@H](C)O)CC2)c(C)n1-c1ccc(C)cc1 ZINC000189278932 1023243548 /nfs/dbraw/zinc/24/35/48/1023243548.db2.gz BKMNTXRRPDSAAT-SFHVURJKSA-N 0 0 369.509 2.584 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)N1CCC(NC(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000948517735 1023289087 /nfs/dbraw/zinc/28/90/87/1023289087.db2.gz TXOGVEUROCCVMD-MLGOLLRUSA-N 0 0 371.441 2.616 20 10 FFCDRN Nc1ccc(CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1 ZINC001120370863 1023316717 /nfs/dbraw/zinc/31/67/17/1023316717.db2.gz HUVAPDWEQUNLDY-UHFFFAOYSA-N 0 0 358.873 2.679 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@H](CF)C1 ZINC001120430677 1023328068 /nfs/dbraw/zinc/32/80/68/1023328068.db2.gz IBMJVCPHFNDYRZ-QGZVFWFLSA-N 0 0 363.477 2.698 20 10 FFCDRN Cc1cccc(C[C@H](CO)NC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000189960165 1023376143 /nfs/dbraw/zinc/37/61/43/1023376143.db2.gz OVACNJVWNHOJJU-QGZVFWFLSA-N 0 0 359.445 2.603 20 10 FFCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N(C)Cc1cnccn1 ZINC001122692290 1023416453 /nfs/dbraw/zinc/41/64/53/1023416453.db2.gz XMQBSHPOIRSLIQ-UHFFFAOYSA-N 0 0 374.470 2.565 20 10 FFCDRN O=C(Cc1ccc2c(c1)COC2)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000754139936 1023431241 /nfs/dbraw/zinc/43/12/41/1023431241.db2.gz HJGBQFNNPBCYEY-UHFFFAOYSA-N 0 0 370.424 2.551 20 10 FFCDRN C[C@]1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCOC1 ZINC000754141683 1023432429 /nfs/dbraw/zinc/43/24/29/1023432429.db2.gz SHWUEOMSJDMLMU-KRWDZBQOSA-N 0 0 372.387 2.585 20 10 FFCDRN C[C@@H](NC(=O)c1cccc2nccnc21)c1ccc(N2CCOCC2)cc1 ZINC000754171370 1023434955 /nfs/dbraw/zinc/43/49/55/1023434955.db2.gz VPPLVJZADSRKRX-OAHLLOKOSA-N 0 0 362.433 2.957 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(C)nc2Cl)c1 ZINC001120778928 1023464806 /nfs/dbraw/zinc/46/48/06/1023464806.db2.gz SCQJRILWAMQBJZ-JTQLQIEISA-N 0 0 363.801 2.574 20 10 FFCDRN Cc1cc(CCNC(=O)c2cnc3c(c2)nnn3C)c(C)n1-c1ccccc1 ZINC000754902721 1023536754 /nfs/dbraw/zinc/53/67/54/1023536754.db2.gz NNSYHGORXJTLKC-UHFFFAOYSA-N 0 0 374.448 2.743 20 10 FFCDRN CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000755015534 1023554888 /nfs/dbraw/zinc/55/48/88/1023554888.db2.gz XXYBQJTVWDIHPF-CYBMUJFWSA-N 0 0 371.437 2.990 20 10 FFCDRN CC[C@H](C)NC(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000755015538 1023555099 /nfs/dbraw/zinc/55/50/99/1023555099.db2.gz XXYBQJTVWDIHPF-ZDUSSCGKSA-N 0 0 371.437 2.990 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)C(=O)Nc1cncc2c1CCCC2 ZINC001121152737 1023627619 /nfs/dbraw/zinc/62/76/19/1023627619.db2.gz XTXUZEOOAVMUDE-UHFFFAOYSA-N 0 0 359.813 2.574 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCc1cnc(C2CC2)nc1 ZINC000756092691 1023667424 /nfs/dbraw/zinc/66/74/24/1023667424.db2.gz SVHAJMBIXGUUQR-UHFFFAOYSA-N 0 0 353.470 2.770 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCc2cnc(C3CC3)nc2)cc1F ZINC000756095969 1023667512 /nfs/dbraw/zinc/66/75/12/1023667512.db2.gz GBMYVMLTDAZANE-UHFFFAOYSA-N 0 0 357.433 2.601 20 10 FFCDRN CN(CCc1ccccc1[N+](=O)[O-])c1nnc(C2SC=CC2=O)n1C ZINC001121275001 1023683295 /nfs/dbraw/zinc/68/32/95/1023683295.db2.gz XWUKPZUECBIELU-UHFFFAOYSA-N 0 0 359.411 2.836 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](O)c1c(F)cccc1F ZINC000077831734 1023690640 /nfs/dbraw/zinc/69/06/40/1023690640.db2.gz SQBDYIDHPYSBGT-QGZVFWFLSA-N 0 0 363.408 2.872 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCNC(=O)c2cccc(C)c2)c1 ZINC000756455926 1023713083 /nfs/dbraw/zinc/71/30/83/1023713083.db2.gz BWLBNBZGNDBJKL-AWEZNQCLSA-N 0 0 356.422 2.568 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000756576582 1023730525 /nfs/dbraw/zinc/73/05/25/1023730525.db2.gz UZEWMNGBJYEVMZ-TZMCWYRMSA-N 0 0 364.442 2.839 20 10 FFCDRN COc1ccc(-c2ccccc2)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000756784715 1023755163 /nfs/dbraw/zinc/75/51/63/1023755163.db2.gz YLDDREWBBWGVRO-UHFFFAOYSA-N 0 0 350.374 2.796 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(N3CCOCC3)cn2)c1 ZINC000756802029 1023756011 /nfs/dbraw/zinc/75/60/11/1023756011.db2.gz OYRCUMIDEPEEBW-ZDUSSCGKSA-N 0 0 357.410 2.584 20 10 FFCDRN CCOC(=O)[C@@H](Cc1ccccc1)NCc1cc(OC)c(OC)cc1O ZINC000779431983 1023837227 /nfs/dbraw/zinc/83/72/27/1023837227.db2.gz VVPDICGBEFKVAJ-MRXNPFEDSA-N 0 0 359.422 2.673 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(N3CCOCC3)nc2C)c1 ZINC000757620318 1023838832 /nfs/dbraw/zinc/83/88/32/1023838832.db2.gz COGLSZSUZLWHSZ-CYBMUJFWSA-N 0 0 371.437 2.892 20 10 FFCDRN CN(c1ccc(CNC(=O)c2ccc3nnnn3c2)cc1)C1CCCCC1 ZINC000757637121 1023839986 /nfs/dbraw/zinc/83/99/86/1023839986.db2.gz FSLIZTKVRAVBPG-UHFFFAOYSA-N 0 0 364.453 2.823 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)cc1 ZINC000078511334 1023862258 /nfs/dbraw/zinc/86/22/58/1023862258.db2.gz CAMGNSURHDEVJA-QZTJIDSGSA-N 0 0 355.482 2.933 20 10 FFCDRN Cc1cccc(COC[C@]23COC[C@H]2C[N@H+](Cc2c([O-])cccc2F)C3)n1 ZINC001137834372 1033168937 /nfs/dbraw/zinc/16/89/37/1033168937.db2.gz DSDOEWJJKMMLGN-IERDGZPVSA-N 0 0 372.440 2.900 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)[C@@H]2C[C@@H]2F)NC(=O)OC(C)(C)C)cc1 ZINC001123617211 1023903956 /nfs/dbraw/zinc/90/39/56/1023903956.db2.gz CTYRCLDJKPRONT-PMPSAXMXSA-N 0 0 365.449 2.793 20 10 FFCDRN CCO[C@H]1C[C@](O)(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)C1(C)C ZINC000191794556 1023917360 /nfs/dbraw/zinc/91/73/60/1023917360.db2.gz SDQWKMVFFSTKFS-UWJYYQICSA-N 0 0 371.481 2.785 20 10 FFCDRN CC(C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 ZINC000779482106 1023935224 /nfs/dbraw/zinc/93/52/24/1023935224.db2.gz OXEAWBFNUHKMGM-XBXARRHUSA-N 0 0 369.417 2.976 20 10 FFCDRN Cn1ccnc1[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1F ZINC000779492484 1023937069 /nfs/dbraw/zinc/93/70/69/1023937069.db2.gz FPFPLMAFYIOVHT-FUKPKEADSA-N 0 0 367.380 2.889 20 10 FFCDRN CC(C)(C)OC(=O)N(CCNC(=O)/C=C\c1ccc(O)c(O)c1)C1CC1 ZINC000779512767 1023947565 /nfs/dbraw/zinc/94/75/65/1023947565.db2.gz CXRKGMHQHWNHRM-UITAMQMPSA-N 0 0 362.426 2.627 20 10 FFCDRN COc1ccc(Cn2ccc(NC(=O)NCc3ccccc3O)n2)cc1 ZINC000779510830 1023947716 /nfs/dbraw/zinc/94/77/16/1023947716.db2.gz WYFSZQFTDFWYAK-UHFFFAOYSA-N 0 0 352.394 2.967 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000779516384 1023949543 /nfs/dbraw/zinc/94/95/43/1023949543.db2.gz VRMRFBGMMOOXDF-OKEUPSHZSA-N 0 0 360.360 2.784 20 10 FFCDRN 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O=C(Cc1ccc(O)c(O)c1)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC001294591088 1049774423 /nfs/dbraw/zinc/77/44/23/1049774423.db2.gz XHTWLMFFCGIYIO-UHFFFAOYSA-N 0 0 368.364 2.628 20 10 FFCDRN C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Cc1ccc(O)c(O)c1 ZINC001295079461 1049873139 /nfs/dbraw/zinc/87/31/39/1049873139.db2.gz ZNYKXQHUSDJNAI-HZPDHXFCSA-N 0 0 354.450 2.762 20 10 FFCDRN CCN(C)c1nnc(C(C)(C)C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001295089006 1049875359 /nfs/dbraw/zinc/87/53/59/1049875359.db2.gz AMUZTFBEVBETIV-UHFFFAOYSA-N 0 0 357.502 2.917 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1nccs1 ZINC001295591195 1049955776 /nfs/dbraw/zinc/95/57/76/1049955776.db2.gz XEGXOKKZZFCQBT-UHFFFAOYSA-N 0 0 368.842 2.637 20 10 FFCDRN CCO[C@@H]1C[C@](CO)(NC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC001296497671 1050064192 /nfs/dbraw/zinc/06/41/92/1050064192.db2.gz SKAGGDJEIZPJHZ-CRAIPNDOSA-N 0 0 365.451 2.608 20 10 FFCDRN CO[C@H]1CN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC[C@H]1C ZINC001340095650 1050499459 /nfs/dbraw/zinc/49/94/59/1050499459.db2.gz NDUIPDRVXPUECE-PWSUYJOCSA-N 0 0 359.455 2.659 20 10 FFCDRN CC(C)(C)c1coc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC001341980405 1050577700 /nfs/dbraw/zinc/57/77/00/1050577700.db2.gz BFLABTIOSAIHAG-UHFFFAOYSA-N 0 0 372.469 2.808 20 10 FFCDRN CS(=O)(=O)c1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1Cl ZINC001341981297 1050578964 /nfs/dbraw/zinc/57/89/64/1050578964.db2.gz YGRIDSFGHKORGB-CLTKARDFSA-N 0 0 367.810 2.807 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(c2c[nH]c3ncccc23)CC1 ZINC001542206169 1071188793 /nfs/dbraw/zinc/18/87/93/1071188793.db2.gz HUWGGAKDBKGXFI-UHFFFAOYSA-N 0 0 351.406 2.923 20 10 FFCDRN CN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H]1CCC(C)(C)C1 ZINC001342508625 1051110244 /nfs/dbraw/zinc/11/02/44/1051110244.db2.gz SAMYQGFRPPSRTA-GOSISDBHSA-N 0 0 355.482 2.716 20 10 FFCDRN CC(C)c1nnc(N(C)C2CC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001302571718 1051139334 /nfs/dbraw/zinc/13/93/34/1051139334.db2.gz VNRYVSVUOHQTMX-UHFFFAOYSA-N 0 0 355.486 2.885 20 10 FFCDRN O=C(C1=NN(Cc2ccc(F)cc2)C(=O)CC1)N1Cc2cccc(O)c2C1 ZINC001302787630 1051198827 /nfs/dbraw/zinc/19/88/27/1051198827.db2.gz PXUIQSAQKABCOK-UHFFFAOYSA-N 0 0 367.380 2.552 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2c(F)cc(F)cc2OC)c1 ZINC001340972211 1051305354 /nfs/dbraw/zinc/30/53/54/1051305354.db2.gz JWULCQOCIQXHBO-VIFPVBQESA-N 0 0 373.377 2.727 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC001303225863 1051307520 /nfs/dbraw/zinc/30/75/20/1051307520.db2.gz PRZKJZAPDDJQMR-SFHVURJKSA-N 0 0 358.413 2.908 20 10 FFCDRN COC(=O)/C(C)=C/COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000748161020 1051334136 /nfs/dbraw/zinc/33/41/36/1051334136.db2.gz BVGRHBJFQSZQCW-ZRDIBKRKSA-N 0 0 364.353 2.738 20 10 FFCDRN CC(C)(C)OC(=O)Nc1ccnc(CNC(=O)c2cccc(O)c2O)c1 ZINC001303749746 1051439738 /nfs/dbraw/zinc/43/97/38/1051439738.db2.gz GLEYFJGCDOYGON-UHFFFAOYSA-N 0 0 359.382 2.770 20 10 FFCDRN O=C(NCc1c(O)cccc1F)[C@@H](c1ccccc1)N1CCSCC1 ZINC001303877744 1051465689 /nfs/dbraw/zinc/46/56/89/1051465689.db2.gz FTAZHIUVMXHHEB-GOSISDBHSA-N 0 0 360.454 2.938 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC=C(C(=O)NCc2c(O)cccc2O)CC1 ZINC001304053651 1051515895 /nfs/dbraw/zinc/51/58/95/1051515895.db2.gz QJFIRILURCHKEB-UHFFFAOYSA-N 0 0 362.426 2.671 20 10 FFCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@@]2(CCOC2=O)C1 ZINC001342943400 1051557341 /nfs/dbraw/zinc/55/73/41/1051557341.db2.gz SQUSXCGMOFCDPZ-QGZVFWFLSA-N 0 0 362.455 2.512 20 10 FFCDRN Oc1c(F)cccc1CN1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000846018434 1051676548 /nfs/dbraw/zinc/67/65/48/1051676548.db2.gz MTZDYNIEVWCOIH-UHFFFAOYSA-N 0 0 356.376 2.869 20 10 FFCDRN Cc1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001304806904 1051711148 /nfs/dbraw/zinc/71/11/48/1051711148.db2.gz OHRYGUNWJKQNJL-HOTGVXAUSA-N 0 0 355.486 2.564 20 10 FFCDRN Cc1nnc(N2CC[C@]3(C2)CCCOC3)n1Cc1ccc(N(C)C)c(F)c1 ZINC001304831619 1051729306 /nfs/dbraw/zinc/72/93/06/1051729306.db2.gz WFBZYGKSNXISER-FQEVSTJZSA-N 0 0 373.476 2.847 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)CCc3nnc(C(C)C)o3)CC2)cc1 ZINC001341391926 1051751517 /nfs/dbraw/zinc/75/15/17/1051751517.db2.gz YOBXWEHMKFKJCX-UHFFFAOYSA-N 0 0 372.469 2.873 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cnc4n[nH]c(C)c4c3)CC2)cc1 ZINC001341405996 1051763865 /nfs/dbraw/zinc/76/38/65/1051763865.db2.gz AMIRNGKYLLWDBZ-UHFFFAOYSA-N 0 0 365.437 2.627 20 10 FFCDRN CN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC001542581425 1071260748 /nfs/dbraw/zinc/26/07/48/1071260748.db2.gz OXPRWTYVLIEBFU-HXUWFJFHSA-N 0 0 369.396 2.761 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cn3cnc(C(C)(C)C)c3)CC2)cc1 ZINC001307382024 1052296816 /nfs/dbraw/zinc/29/68/16/1052296816.db2.gz UCWLWGWRAPWXBA-UHFFFAOYSA-N 0 0 356.470 2.538 20 10 FFCDRN Cc1ocnc1-c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1 ZINC001345193712 1052311737 /nfs/dbraw/zinc/31/17/37/1052311737.db2.gz LYWDVXNKFPQODK-AWEZNQCLSA-N 0 0 369.425 2.620 20 10 FFCDRN CC(C)Oc1ccc(N(C)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)cc1 ZINC001307677988 1052334338 /nfs/dbraw/zinc/33/43/38/1052334338.db2.gz FETJHEDONJSMEV-QGZVFWFLSA-N 0 0 362.470 2.853 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccc(CO)cc1 ZINC001345403099 1052426420 /nfs/dbraw/zinc/42/64/20/1052426420.db2.gz KYAJXSGXLAFRSY-UHFFFAOYSA-N 0 0 355.438 2.679 20 10 FFCDRN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001308283124 1052441127 /nfs/dbraw/zinc/44/11/27/1052441127.db2.gz RBUGWJOGPWAPJM-KRWDZBQOSA-N 0 0 359.376 2.599 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNc1ccc2c(c1)S(=O)(=O)CC(=O)N2 ZINC001308509380 1052463178 /nfs/dbraw/zinc/46/31/78/1052463178.db2.gz OETGCRTYXZFWNQ-UHFFFAOYSA-N 0 0 369.446 2.825 20 10 FFCDRN COc1ccc(NC/C=C/c2ccc(N(C)C)cc2)cc1S(N)(=O)=O ZINC001308508253 1052463213 /nfs/dbraw/zinc/46/32/13/1052463213.db2.gz PDQQVTMCASZKDP-SNAWJCMRSA-N 0 0 361.467 2.534 20 10 FFCDRN CN(C)c1ccc(/C=C\CNc2ccc(CN3C(=O)CNC3=O)cc2)cc1 ZINC001308678794 1052485143 /nfs/dbraw/zinc/48/51/43/1052485143.db2.gz ICDLPBBQBKMNDY-ARJAWSKDSA-N 0 0 364.449 2.930 20 10 FFCDRN CN(C)S(=O)(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1O)CC2 ZINC001308688805 1052487062 /nfs/dbraw/zinc/48/70/62/1052487062.db2.gz QYXUNKYCTOFJCQ-UHFFFAOYSA-N 0 0 366.870 2.859 20 10 FFCDRN CCOC(=O)c1cnn2cc(CN(C)c3ccc(OC)c(OC)c3)cnc12 ZINC001308839731 1052507123 /nfs/dbraw/zinc/50/71/23/1052507123.db2.gz FMAGVFBBNORMLH-UHFFFAOYSA-N 0 0 370.409 2.560 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)C[C@H]3C(C)(C)C3(F)F)ccc21 ZINC001309108985 1052556881 /nfs/dbraw/zinc/55/68/81/1052556881.db2.gz WJKFEDLMHJWSCZ-HNNXBMFYSA-N 0 0 358.454 2.780 20 10 FFCDRN CCOC(=O)N1CCC[C@H](C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001344042444 1052562428 /nfs/dbraw/zinc/56/24/28/1052562428.db2.gz IKVIXVJZQGEKQF-VIFPVBQESA-N 0 0 352.778 2.683 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cnn(C2CCCC2)c1 ZINC001309173361 1052568094 /nfs/dbraw/zinc/56/80/94/1052568094.db2.gz DTUKSCTYWAHWFW-UHFFFAOYSA-N 0 0 362.499 2.851 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCCC3CCOCC3)C2)cc1 ZINC001345669475 1052568553 /nfs/dbraw/zinc/56/85/53/1052568553.db2.gz KLSKYAHXEKGGDD-QGZVFWFLSA-N 0 0 361.486 2.637 20 10 FFCDRN CN(c1nnc(C2SC=CC2=O)n1C[C@H]1CCOC1)[C@@H]1CCSC1 ZINC001344228223 1052644175 /nfs/dbraw/zinc/64/41/75/1052644175.db2.gz IVRUUSZPPIGGDQ-VXGBXAGGSA-N 0 0 366.512 2.690 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)[C@H]3CCNC(=O)C3)ccc21 ZINC001345987039 1052696557 /nfs/dbraw/zinc/69/65/57/1052696557.db2.gz GFMMRSYGXVVDCZ-HOTGVXAUSA-N 0 0 372.465 2.976 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2c[nH]cn2)n1C[C@H]1CCCCO1 ZINC001344595117 1052851994 /nfs/dbraw/zinc/85/19/94/1052851994.db2.gz DTHQTJOJZYEDBX-OAHLLOKOSA-N 0 0 368.441 2.579 20 10 FFCDRN CN(C)c1ccc(C[NH2+][C@H]2CCOC[C@H]2CC(=O)[O-])c(C(F)(F)F)c1 ZINC001335192194 1053251944 /nfs/dbraw/zinc/25/19/44/1053251944.db2.gz LLUXNRXNHVKMFW-DOMZBBRYSA-N 0 0 360.376 2.741 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2cccc3c2CCCN3)cn1 ZINC001335940843 1053657083 /nfs/dbraw/zinc/65/70/83/1053657083.db2.gz OCCLGIYZSWYTRG-UHFFFAOYSA-N 0 0 364.453 2.938 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccnc3[nH]c(=O)[nH]c32)cc1F ZINC001543251592 1071427528 /nfs/dbraw/zinc/42/75/28/1071427528.db2.gz UISNZGNLYNWZFG-UHFFFAOYSA-N 0 0 357.389 2.579 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2C[C@@H]3CCC[C@@H]23)C2CC2)cc1 ZINC001336413981 1053978123 /nfs/dbraw/zinc/97/81/23/1053978123.db2.gz QRNLXIFIBJZKDX-KFKAGJAMSA-N 0 0 355.482 2.548 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)Nc1ccnc(Cl)c1 ZINC001336806659 1054244379 /nfs/dbraw/zinc/24/43/79/1054244379.db2.gz RWQYEBVWADEVNC-ZDUSSCGKSA-N 0 0 374.872 2.795 20 10 FFCDRN CC[C@@H]1CCCc2sc(NC(=O)C(=O)NCc3ccccc3O)nc21 ZINC001348000794 1054542596 /nfs/dbraw/zinc/54/25/96/1054542596.db2.gz PRXGLSRIQQBGDI-LLVKDONJSA-N 0 0 359.451 2.934 20 10 FFCDRN C[C@@H]1CN(c2ccc(C(=O)NCc3cccc(O)c3O)cc2)C[C@@H](C)O1 ZINC001348045995 1054590917 /nfs/dbraw/zinc/59/09/17/1054590917.db2.gz GIVKCLDLXOVHSH-ZIAGYGMSSA-N 0 0 356.422 2.641 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](CCCO)c3ccccc3)CC2)cc1 ZINC001351611242 1054920413 /nfs/dbraw/zinc/92/04/13/1054920413.db2.gz BXSVIVZLUYNALN-OAQYLSRUSA-N 0 0 368.477 2.900 20 10 FFCDRN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001351737822 1054976711 /nfs/dbraw/zinc/97/67/11/1054976711.db2.gz HHGULBMEWKTHMG-GOSISDBHSA-N 0 0 363.477 2.935 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(CC)cc1 ZINC001337826635 1055041715 /nfs/dbraw/zinc/04/17/15/1055041715.db2.gz NSQLZSDTSTXBMN-INIZCTEOSA-N 0 0 357.406 2.564 20 10 FFCDRN CC(C)[C@@H]([NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)c1cnn(C)c1 ZINC001352035000 1055141434 /nfs/dbraw/zinc/14/14/34/1055141434.db2.gz YXGOYXCHTOXCTE-HXUWFJFHSA-N 0 0 359.493 2.798 20 10 FFCDRN CCc1cccc(CN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1O ZINC000848880064 1055293072 /nfs/dbraw/zinc/29/30/72/1055293072.db2.gz CAVJSWKBWIVJFK-UHFFFAOYSA-N 0 0 368.433 2.641 20 10 FFCDRN CCc1cccc(CNc2cccc(NC(=O)NCCC(N)=O)c2)c1O ZINC000848907655 1055342259 /nfs/dbraw/zinc/34/22/59/1055342259.db2.gz GPFHVFAITUQNGR-UHFFFAOYSA-N 0 0 356.426 2.564 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](OC2CCC2)C1 ZINC000847295847 1055410909 /nfs/dbraw/zinc/41/09/09/1055410909.db2.gz PXHHOFLLBGOGCB-HXUWFJFHSA-N 0 0 373.497 2.766 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)C1(n2cnnn2)CCCCC1 ZINC001356267111 1055425043 /nfs/dbraw/zinc/42/50/43/1055425043.db2.gz MPMDWTXHDAEFBY-UHFFFAOYSA-N 0 0 368.485 2.591 20 10 FFCDRN CCn1c(C[N+](=O)[O-])nnc1N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001352440806 1055478016 /nfs/dbraw/zinc/47/80/16/1055478016.db2.gz SNGOXTRWKHQYEU-UHFFFAOYSA-N 0 0 358.446 2.701 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1Cc2ccccc2NC(=O)C1 ZINC000847318559 1055481741 /nfs/dbraw/zinc/48/17/41/1055481741.db2.gz KORPKOCESQLFAN-UHFFFAOYSA-N 0 0 352.438 2.725 20 10 FFCDRN CC(C)[C@@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC001349816415 1055483428 /nfs/dbraw/zinc/48/34/28/1055483428.db2.gz BLMKYFWNFOCLKU-LJQANCHMSA-N 0 0 372.513 2.622 20 10 FFCDRN C[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000847363322 1055602871 /nfs/dbraw/zinc/60/28/71/1055602871.db2.gz XQNWHOOJTLBNAL-SOUVJXGZSA-N 0 0 374.460 2.657 20 10 FFCDRN C[C@@H]1CN(C[C@H]2CCCN2C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H](C)O1 ZINC001544031543 1071583427 /nfs/dbraw/zinc/58/34/27/1071583427.db2.gz BZOZBVRRUWVRAB-JKIFEVAISA-N 0 0 373.457 2.563 20 10 FFCDRN COc1ccc(C[C@@H](C)CNC(=O)NCc2ccc(N)cc2)cc1OC ZINC001357667615 1055979071 /nfs/dbraw/zinc/97/90/71/1055979071.db2.gz GSPKWDLYRXZODG-CQSZACIVSA-N 0 0 357.454 2.964 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@H]2CCN(C(N)=O)C2)c1 ZINC001351013711 1056042050 /nfs/dbraw/zinc/04/20/50/1056042050.db2.gz VMDHFMNJZGRYDT-CQSZACIVSA-N 0 0 374.872 2.878 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CCc2ccc3c(c2)OC(F)(F)O3)c1 ZINC000847591080 1056115855 /nfs/dbraw/zinc/11/58/55/1056115855.db2.gz OURLJABIFMBIHY-UHFFFAOYSA-N 0 0 365.332 2.971 20 10 FFCDRN COCCn1c(C2Sc3ncccc3C2=O)nnc1N1CC[C@@H]2C[C@@H]2C1 ZINC001358141600 1056159765 /nfs/dbraw/zinc/15/97/65/1056159765.db2.gz DVEHDAQRKDFFJY-VXGBXAGGSA-N 0 0 371.466 2.753 20 10 FFCDRN COC(=O)[C@H]1C[C@@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC001353690436 1056642859 /nfs/dbraw/zinc/64/28/59/1056642859.db2.gz UAYNCVOLDPQJGJ-BETUJISGSA-N 0 0 350.378 2.534 20 10 FFCDRN CCC/C=C/[C@H](O)C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC001544529279 1071656012 /nfs/dbraw/zinc/65/60/12/1071656012.db2.gz BYDOLRNSUUYWNP-IECUYZFFSA-N 0 0 360.498 2.977 20 10 FFCDRN O=C1NCCc2cc(NCc3ccc(N4CCOCC4)c(F)c3)ccc21 ZINC000849347220 1056834633 /nfs/dbraw/zinc/83/46/33/1056834633.db2.gz XDHIGQWGBYYSKU-UHFFFAOYSA-N 0 0 355.413 2.560 20 10 FFCDRN COc1cccc([C@H]2C(=O)N(Cc3ccc(N(C)C)cc3)C(=O)N2C)c1 ZINC000849352489 1056839076 /nfs/dbraw/zinc/83/90/76/1056839076.db2.gz MUAGNAVCDQQRBM-SFHVURJKSA-N 0 0 353.422 2.897 20 10 FFCDRN CCC[C@@]12CCCN1C(=O)N([C@@H]1CCN(c3ccc(OC)cc3)C1)C2=O ZINC000849355877 1056841256 /nfs/dbraw/zinc/84/12/56/1056841256.db2.gz BRQINWMCVZKROU-UZLBHIALSA-N 0 0 357.454 2.871 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)[C@@H]3C[C@H]3c3ccccc3)C2)cc1 ZINC000849416649 1056849228 /nfs/dbraw/zinc/84/92/28/1056849228.db2.gz CBIUNAQBAHSEKY-FFZOFVMBSA-N 0 0 372.490 2.749 20 10 FFCDRN CCN1CC[C@@H](OC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1=O ZINC000849724046 1056978125 /nfs/dbraw/zinc/97/81/25/1056978125.db2.gz FVUHJVAHSGHUOZ-GOSISDBHSA-N 0 0 358.438 2.682 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC(=O)OCC1CC1 ZINC001442815287 1058168130 /nfs/dbraw/zinc/16/81/30/1058168130.db2.gz BHPWGSYRRCQBCC-UHFFFAOYSA-N 0 0 354.406 2.590 20 10 FFCDRN COC(=O)c1ccc(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC001518385010 1058366311 /nfs/dbraw/zinc/36/63/11/1058366311.db2.gz CCRNFYBYGWJVQP-ZDUSSCGKSA-N 0 0 359.378 2.758 20 10 FFCDRN O=C(NCc1nc(C(F)(F)F)no1)c1cc2cc(O)c(O)cc2s1 ZINC001447550104 1058667975 /nfs/dbraw/zinc/66/79/75/1058667975.db2.gz AFLZRODCENPRGO-UHFFFAOYSA-N 0 0 359.285 2.644 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCn2nc(C(C)(C)C)cc2C1 ZINC001519512435 1058793996 /nfs/dbraw/zinc/79/39/96/1058793996.db2.gz YAAOGILDXHUTML-UHFFFAOYSA-N 0 0 358.471 2.763 20 10 FFCDRN Cc1ccccc1C1=NO[C@@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001354370682 1058913566 /nfs/dbraw/zinc/91/35/66/1058913566.db2.gz DZYIJNYGCDMAPV-HXUWFJFHSA-N 0 0 365.433 2.980 20 10 FFCDRN COC(=O)[C@@](C)(CO)NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001451216362 1059095735 /nfs/dbraw/zinc/09/57/35/1059095735.db2.gz WGRGUODOUFOUHV-OAQYLSRUSA-N 0 0 372.465 2.871 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2nnc(C[C@H](C)SC)n2C)cc1 ZINC001519839541 1059121776 /nfs/dbraw/zinc/12/17/76/1059121776.db2.gz LVHLJCSLUVSDGX-AWEZNQCLSA-N 0 0 363.531 2.690 20 10 FFCDRN CC1(C)CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC001451529775 1059123860 /nfs/dbraw/zinc/12/38/60/1059123860.db2.gz WCZPRCATKSRFHA-LBPRGKRZSA-N 0 0 354.472 2.710 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000848146842 1059129867 /nfs/dbraw/zinc/12/98/67/1059129867.db2.gz YEACUDNUARKQMH-LVKZSUFYSA-N 0 0 350.418 2.706 20 10 FFCDRN Cc1cc(C(=O)N2CC3(C2)CN(C)C(=O)O3)c(C)n1-c1cc(C)cc(C)c1 ZINC001451688629 1059135537 /nfs/dbraw/zinc/13/55/37/1059135537.db2.gz NREQRNHVVCNTCE-UHFFFAOYSA-N 0 0 367.449 2.988 20 10 FFCDRN CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2c(O)cccc2F)c1C1CC1 ZINC001354551451 1059149037 /nfs/dbraw/zinc/14/90/37/1059149037.db2.gz QOKLCBNFCPNIMB-NSHDSACASA-N 0 0 374.416 2.831 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@]3(OC)CCSC3)C2)cc1 ZINC001514932326 1059153495 /nfs/dbraw/zinc/15/34/95/1059153495.db2.gz VRNPRFBPVGHRGG-KSSFIOAISA-N 0 0 351.468 2.587 20 10 FFCDRN COCCN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N(C)C)cc1C ZINC001504844631 1059277557 /nfs/dbraw/zinc/27/75/57/1059277557.db2.gz CXMJBRIFHWMQBT-UHFFFAOYSA-N 0 0 368.485 2.779 20 10 FFCDRN COc1cccnc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001354656846 1059322464 /nfs/dbraw/zinc/32/24/64/1059322464.db2.gz HNAOGCYRVUJPIF-OKILXGFUSA-N 0 0 373.428 2.773 20 10 FFCDRN COc1ccc([C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CCN2)cc1 ZINC001454589713 1059577252 /nfs/dbraw/zinc/57/72/52/1059577252.db2.gz XFMPEKYGDZLVGK-QGZVFWFLSA-N 0 0 367.409 2.644 20 10 FFCDRN CO[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@](C)(CO)C1 ZINC001454679589 1059607002 /nfs/dbraw/zinc/60/70/02/1059607002.db2.gz RLVHLLDDPJBCHB-PXNSSMCTSA-N 0 0 360.429 2.845 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCc3c(nnn3C)C2)c(C)n1-c1cccc(C)c1 ZINC000848309015 1059694035 /nfs/dbraw/zinc/69/40/35/1059694035.db2.gz GEPKROVWRRYLNQ-INIZCTEOSA-N 0 0 363.465 2.818 20 10 FFCDRN Cc1cc(CC(=O)N[C@@H]2Cc3cnccc3NC2=O)c(C)n1-c1ccccc1 ZINC001455345676 1059766119 /nfs/dbraw/zinc/76/61/19/1059766119.db2.gz VSFAYNLJDIIFMU-HXUWFJFHSA-N 0 0 374.444 2.711 20 10 FFCDRN Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)nn1C ZINC001520582119 1059830925 /nfs/dbraw/zinc/83/09/25/1059830925.db2.gz ZQTJUVVIWMFPAO-UHFFFAOYSA-N 0 0 352.442 2.739 20 10 FFCDRN CCOCCOCCNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001456164359 1060033872 /nfs/dbraw/zinc/03/38/72/1060033872.db2.gz GWYXYLKRVKSGKI-UHFFFAOYSA-N 0 0 358.438 2.690 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1ccncc1NC(=O)C(F)(F)F ZINC001457034466 1060257353 /nfs/dbraw/zinc/25/73/53/1060257353.db2.gz GGBMBUJFFYFRGL-UHFFFAOYSA-N 0 0 373.718 2.871 20 10 FFCDRN Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCc1cccc(Cl)c1O ZINC001457036344 1060259729 /nfs/dbraw/zinc/25/97/29/1060259729.db2.gz GBAIRRKZNOSSIH-MHWRWJLKSA-N 0 0 369.812 2.655 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(CC(C)(C)O)n1C[C@@H]1CCCCO1 ZINC001516932703 1060273674 /nfs/dbraw/zinc/27/36/74/1060273674.db2.gz JXZSBCYFLKPBSU-INIZCTEOSA-N 0 0 374.485 2.503 20 10 FFCDRN CN(C)c1ccc(CNc2ccc([C@]3(C)NC(=O)N(C)C3=O)cc2)cc1 ZINC000848561878 1060279717 /nfs/dbraw/zinc/27/97/17/1060279717.db2.gz FCXDZIUGEKXIKD-FQEVSTJZSA-N 0 0 352.438 2.762 20 10 FFCDRN O=C1O[C@H](C[NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CN1C1CC1 ZINC000848579252 1060306386 /nfs/dbraw/zinc/30/63/86/1060306386.db2.gz XLIMVBLVOBWKKF-MRXNPFEDSA-N 0 0 374.441 2.658 20 10 FFCDRN COC(=O)c1cnc(NCCc2ccc(O)c(O)c2)c(C(F)(F)F)c1 ZINC001458234936 1060546263 /nfs/dbraw/zinc/54/62/63/1060546263.db2.gz QWUOKNWNUNTBBL-UHFFFAOYSA-N 0 0 356.300 2.953 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCS[C@H](C)[C@@H]1C ZINC001355770658 1060575390 /nfs/dbraw/zinc/57/53/90/1060575390.db2.gz VCASHXOFIMIWMF-WDEREUQCSA-N 0 0 354.501 2.689 20 10 FFCDRN CCOC(=O)[C@@]1(F)CN(Cc2cc(F)cc(C(C)=O)c2O)CC12CCC2 ZINC001460406454 1060987584 /nfs/dbraw/zinc/98/75/84/1060987584.db2.gz UUHBIAMQMUXBQV-IBGZPJMESA-N 0 0 367.392 2.991 20 10 FFCDRN CNC(=O)c1ccc(OC)c(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC001475977626 1061325013 /nfs/dbraw/zinc/32/50/13/1061325013.db2.gz NFEKQWWGMKOHOZ-UHFFFAOYSA-N 0 0 363.801 2.736 20 10 FFCDRN COc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1S(C)(=O)=O ZINC001476748448 1061470159 /nfs/dbraw/zinc/47/01/59/1061470159.db2.gz NNJWJFGDBQNPMS-LLVKDONJSA-N 0 0 364.423 2.687 20 10 FFCDRN COC(=O)CNC(=O)c1ccc(NCc2c(O)cc(C)cc2Cl)cc1 ZINC001462181882 1061530072 /nfs/dbraw/zinc/53/00/72/1061530072.db2.gz GZNLIPLKNOSLKP-UHFFFAOYSA-N 0 0 362.813 2.869 20 10 FFCDRN COc1cc(COC(=O)/C=C/c2ccc(O)c(O)c2)c([N+](=O)[O-])cc1F ZINC000766211542 1061672818 /nfs/dbraw/zinc/67/28/18/1061672818.db2.gz FPUDWEQOHXACQS-HWKANZROSA-N 0 0 363.297 2.910 20 10 FFCDRN COc1ccc(CNC(=O)c2c[nH]nc2NCc2cccc(F)c2O)cc1 ZINC001462670633 1061719093 /nfs/dbraw/zinc/71/90/93/1061719093.db2.gz VRFDAAJJUVMTSD-UHFFFAOYSA-N 0 0 370.384 2.805 20 10 FFCDRN CCN(CC1CC1)S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001463045994 1061911197 /nfs/dbraw/zinc/91/11/97/1061911197.db2.gz CVFNJLVQIZMABS-UHFFFAOYSA-N 0 0 365.543 2.989 20 10 FFCDRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001361101649 1062093595 /nfs/dbraw/zinc/09/35/95/1062093595.db2.gz AIUCTZHTDOFTMS-SFHVURJKSA-N 0 0 373.497 2.905 20 10 FFCDRN O=C(NCc1nccc(C(F)(F)F)n1)NCc1cccc(Cl)c1O ZINC001478832406 1062126184 /nfs/dbraw/zinc/12/61/84/1062126184.db2.gz XSUOJWRRHDKEJX-UHFFFAOYSA-N 0 0 360.723 2.854 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](CO)CCC(C)C)C2)cc1 ZINC001478861063 1062131992 /nfs/dbraw/zinc/13/19/92/1062131992.db2.gz VSSZYCNWJOSXPN-IRXDYDNUSA-N 0 0 363.502 2.618 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](C3CCCC3)C2)c1 ZINC001522828189 1062300268 /nfs/dbraw/zinc/30/02/68/1062300268.db2.gz YPXFWTOWPKIHGM-CQSZACIVSA-N 0 0 366.483 2.806 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@]3(C)CCCCO3)CC2)cc1F ZINC001479463793 1062433796 /nfs/dbraw/zinc/43/37/96/1062433796.db2.gz PENCEHGHGOWXEQ-IBGZPJMESA-N 0 0 365.449 2.625 20 10 FFCDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c(C)c1[N+](=O)[O-] ZINC001464275135 1062520441 /nfs/dbraw/zinc/52/04/41/1062520441.db2.gz VWTKZDDRIVWHPZ-LBPRGKRZSA-N 0 0 350.396 2.957 20 10 FFCDRN COc1ncc(/C=C/C(=O)N2CCOc3c2cccc3C(F)(F)F)cn1 ZINC001530569914 1062596612 /nfs/dbraw/zinc/59/66/12/1062596612.db2.gz BQLUMHFDZBPIQN-AATRIKPKSA-N 0 0 365.311 2.943 20 10 FFCDRN C[C@H](NC(=O)c1cccc(C(=O)N2CCCC2)n1)c1ccc(N(C)C)cc1 ZINC001435954481 1062600010 /nfs/dbraw/zinc/60/00/10/1062600010.db2.gz YRIKBOJCZKRMKC-HNNXBMFYSA-N 0 0 366.465 2.875 20 10 FFCDRN COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(N)c1F ZINC001464526172 1062664218 /nfs/dbraw/zinc/66/42/18/1062664218.db2.gz BZTXNNLCUAHNPF-CYBMUJFWSA-N 0 0 373.428 2.744 20 10 FFCDRN CC(C)(CC(=O)NCc1ccc(N)cc1)NC(=O)OCc1ccccc1 ZINC001524018023 1062693023 /nfs/dbraw/zinc/69/30/23/1062693023.db2.gz IFROBJKPYRKGTQ-UHFFFAOYSA-N 0 0 355.438 2.980 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC001531694315 1062849718 /nfs/dbraw/zinc/84/97/18/1062849718.db2.gz PCTVBZPVCIBDSY-HXUWFJFHSA-N 0 0 364.449 2.833 20 10 FFCDRN Cc1cc(C[C@@H](C)NC(=O)Cc2ccc(O)c(O)c2)n(-c2ccccc2)n1 ZINC001545909126 1062904413 /nfs/dbraw/zinc/90/44/13/1062904413.db2.gz XBTKZQWBGNKLAX-CQSZACIVSA-N 0 0 365.433 2.882 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCCCN(C)C3=O)cc2)CC1 ZINC001464962318 1062921662 /nfs/dbraw/zinc/92/16/62/1062921662.db2.gz OGZAGVPPTPLRMO-LJQANCHMSA-N 0 0 357.498 2.798 20 10 FFCDRN Cc1ccncc1/C=C\C(=O)N(CCN1CCOCC1)c1ccccc1F ZINC001438520099 1063006063 /nfs/dbraw/zinc/00/60/63/1063006063.db2.gz UADVYIKOCUBVPS-SREVYHEPSA-N 0 0 369.440 2.908 20 10 FFCDRN CCNC(=O)NC1(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)CCCC1 ZINC001440716240 1063346621 /nfs/dbraw/zinc/34/66/21/1063346621.db2.gz VAMHQKDSWGSTRI-UHFFFAOYSA-N 0 0 372.513 2.877 20 10 FFCDRN CC(=O)Nc1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC001525762346 1063408357 /nfs/dbraw/zinc/40/83/57/1063408357.db2.gz NSMYFAHCONYTHH-AWEZNQCLSA-N 0 0 354.454 2.775 20 10 FFCDRN CN(C)c1cc(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)ncn1 ZINC001466375242 1063415191 /nfs/dbraw/zinc/41/51/91/1063415191.db2.gz YKDKKGKWOYMNDS-UHFFFAOYSA-N 0 0 354.458 2.807 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCC2CCN(CC(F)F)CC2)cc1 ZINC001468599180 1064010535 /nfs/dbraw/zinc/01/05/35/1064010535.db2.gz GHZAEJQTFSBVRS-UHFFFAOYSA-N 0 0 353.373 2.556 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC(C)(C)c2cn[nH]n2)CCCC1 ZINC001468896598 1064055543 /nfs/dbraw/zinc/05/55/43/1064055543.db2.gz FMXMFNHHTVPLBH-UHFFFAOYSA-N 0 0 367.453 2.698 20 10 FFCDRN O=C(NCCN1CCc2ccccc21)NCc1ccc(N2CC=CC2)cc1 ZINC001468969205 1064068140 /nfs/dbraw/zinc/06/81/40/1064068140.db2.gz ZJXWJTRNHMDPLG-UHFFFAOYSA-N 0 0 362.477 2.925 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2nccc(C)n2)CCCC1 ZINC001469162727 1064101976 /nfs/dbraw/zinc/10/19/76/1064101976.db2.gz LDZBDOOKSCXQQW-UHFFFAOYSA-N 0 0 364.449 2.944 20 10 FFCDRN CN(C(=O)Cc1ccc(O)c(O)c1)[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001469698999 1064194626 /nfs/dbraw/zinc/19/46/26/1064194626.db2.gz SCTRZVNETWYVGZ-SFHVURJKSA-N 0 0 355.369 2.751 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H]4C[C@@H]43)CC2)c(OC)c1 ZINC001470472063 1064344583 /nfs/dbraw/zinc/34/45/83/1064344583.db2.gz NMPIBSIEYOEMAW-HYVNUMGLSA-N 0 0 359.470 2.724 20 10 FFCDRN COC(=O)C1=CC[C@@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001470804052 1064456280 /nfs/dbraw/zinc/45/62/80/1064456280.db2.gz OYVLQTLMSUWYKW-QGZVFWFLSA-N 0 0 357.454 2.690 20 10 FFCDRN C[C@H](NC(=O)c1cc(C2CC2)nc2c1c(=O)[nH]n2C)c1ccccc1O ZINC001471194988 1064597404 /nfs/dbraw/zinc/59/74/04/1064597404.db2.gz RSWFNWLDAXVPDY-JTQLQIEISA-N 0 0 352.394 2.748 20 10 FFCDRN O=C(c1sccc1S(=O)(=O)C(F)F)N1Cc2cccc(O)c2C1 ZINC001471355866 1064652512 /nfs/dbraw/zinc/65/25/12/1064652512.db2.gz YDBSSHMMTGDULS-UHFFFAOYSA-N 0 0 359.375 2.606 20 10 FFCDRN O=C(Cc1cc(Br)ccc1F)NCc1cc(O)ccc1O ZINC001471661546 1064749182 /nfs/dbraw/zinc/74/91/82/1064749182.db2.gz SFLOBEOAFWJCIY-UHFFFAOYSA-N 0 0 354.175 2.858 20 10 FFCDRN CC(C)(C)OC(=O)c1ccccc1CC(=O)NCc1cc(O)ccc1O ZINC001471662248 1064751242 /nfs/dbraw/zinc/75/12/42/1064751242.db2.gz VPSGNCNQRKDXIF-UHFFFAOYSA-N 0 0 357.406 2.912 20 10 FFCDRN Cc1cc(F)ccc1[C@@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001471754477 1064781269 /nfs/dbraw/zinc/78/12/69/1064781269.db2.gz IUXYMNJSDBSUHW-LLVKDONJSA-N 0 0 366.414 2.702 20 10 FFCDRN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1c(O)cccc1F ZINC001471975683 1064876145 /nfs/dbraw/zinc/87/61/45/1064876145.db2.gz CSBFBVOLZBYRDH-AWEZNQCLSA-N 0 0 352.406 2.937 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H](CO)c1ccccc1C(F)(F)F ZINC001472032174 1064901142 /nfs/dbraw/zinc/90/11/42/1064901142.db2.gz FNNLFRUWTYFZCA-CYBMUJFWSA-N 0 0 355.312 2.509 20 10 FFCDRN COc1cc(COCC(=O)NCc2c(O)ccc3ccccc32)ccn1 ZINC001472084859 1064924198 /nfs/dbraw/zinc/92/41/98/1064924198.db2.gz FIKJQBUXPLXCGH-UHFFFAOYSA-N 0 0 352.390 2.782 20 10 FFCDRN CC(=O)N/C(=C\c1cccs1)C(=O)NCc1cccc(Cl)c1O ZINC001472316849 1065012670 /nfs/dbraw/zinc/01/26/70/1065012670.db2.gz JOFMEQJAJOVXGD-ZSOIEALJSA-N 0 0 350.827 2.901 20 10 FFCDRN CCCOc1ccnc(N2CCN(c3ccc(OC)cc3OC)CC2)n1 ZINC001472857949 1065159235 /nfs/dbraw/zinc/15/92/35/1065159235.db2.gz LCUNDOVRUHMNHA-UHFFFAOYSA-N 0 0 358.442 2.609 20 10 FFCDRN C[C@H]1Cc2cccc(S(=O)(=O)NCc3ccc(N(C)C)c(F)c3)c2O1 ZINC001474890777 1065638240 /nfs/dbraw/zinc/63/82/40/1065638240.db2.gz BQYLEEHMBCUCFI-LBPRGKRZSA-N 0 0 364.442 2.694 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc3ccn(C)c32)c1 ZINC001475008848 1065671828 /nfs/dbraw/zinc/67/18/28/1065671828.db2.gz JKPDRPGVMNBEFQ-GFCCVEGCSA-N 0 0 360.435 2.932 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CSCN3)cc2Cl)C1 ZINC001576711209 1078264308 /nfs/dbraw/zinc/26/43/08/1078264308.db2.gz PHTXAWDHLPJYCB-DOMZBBRYSA-N 0 0 353.919 2.855 20 10 FFCDRN Cc1cc(NC(=O)CN(C)c2ccc(N)cc2)n(-c2ccc(F)cc2)n1 ZINC001579628592 1078651423 /nfs/dbraw/zinc/65/14/23/1078651423.db2.gz RLNORNFKENYZHM-UHFFFAOYSA-N 0 0 353.401 2.977 20 10 FFCDRN Nc1ccc(CNC(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)cc1 ZINC001580445535 1078806812 /nfs/dbraw/zinc/80/68/12/1078806812.db2.gz ISMNNULGXRORDW-HNNXBMFYSA-N 0 0 353.344 2.820 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)C1(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582555634 1079065435 /nfs/dbraw/zinc/06/54/35/1079065435.db2.gz YZZAOOSBJVUVED-UHFFFAOYSA-N 0 0 369.812 2.574 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H](CO)c2ccc(Cl)cc2)cc1F ZINC001583751891 1079259227 /nfs/dbraw/zinc/25/92/27/1079259227.db2.gz JISMXWHPESAKIY-HNNXBMFYSA-N 0 0 350.821 2.937 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc(Br)c[nH]c2=O)cc1F ZINC001583750732 1079259474 /nfs/dbraw/zinc/25/94/74/1079259474.db2.gz BQYGAEODHNYWAZ-UHFFFAOYSA-N 0 0 368.206 2.685 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCCNC(=O)CC2CCCCC2)cc1 ZINC001584306813 1079337146 /nfs/dbraw/zinc/33/71/46/1079337146.db2.gz PGXXHMOGSWYDQI-UHFFFAOYSA-N 0 0 359.430 2.665 20 10 FFCDRN COC(C)(C)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001554573670 1075626438 /nfs/dbraw/zinc/62/64/38/1075626438.db2.gz DNTBEKWCZHVDGV-MRXNPFEDSA-N 0 0 374.485 2.939 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1(C)C ZINC001557022962 1075799703 /nfs/dbraw/zinc/79/97/03/1075799703.db2.gz DFWYXNQPYMXOTL-HNNXBMFYSA-N 0 0 364.442 2.545 20 10 FFCDRN CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1O ZINC001557084891 1075806480 /nfs/dbraw/zinc/80/64/80/1075806480.db2.gz RXBZGONQZGKKGM-AWEZNQCLSA-N 0 0 352.431 2.653 20 10 FFCDRN CC(=O)N1CCc2cc(C(=O)NCc3ccc4cccnc4c3O)ccc21 ZINC001557122428 1075810744 /nfs/dbraw/zinc/81/07/44/1075810744.db2.gz QJFFSIOTHLJKFB-UHFFFAOYSA-N 0 0 361.401 2.779 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC(O)(c2cccc3ccccc32)C1 ZINC001557287672 1075834289 /nfs/dbraw/zinc/83/42/89/1075834289.db2.gz FHQYJNOJKXDJNQ-PKNBQFBNSA-N 0 0 361.397 2.994 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2n[nH]c3c2C[C@@H](C)CC3)cc1 ZINC001557357712 1075842551 /nfs/dbraw/zinc/84/25/51/1075842551.db2.gz YHNVUMPRULDVDD-AWEZNQCLSA-N 0 0 356.470 2.752 20 10 FFCDRN Cc1n[nH]c(C(=O)N[C@H](C)c2ccccc2O)c1I ZINC001557968431 1075918860 /nfs/dbraw/zinc/91/88/60/1075918860.db2.gz YVYYUWLLQWFROX-SSDOTTSWSA-N 0 0 371.178 2.519 20 10 FFCDRN CS(=O)(=O)Nc1cc(C(=O)N2Cc3cccc(O)c3C2)ccc1Cl ZINC001558035868 1075932943 /nfs/dbraw/zinc/93/29/43/1075932943.db2.gz NLVPSPYVSPSTSG-UHFFFAOYSA-N 0 0 366.826 2.573 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1ccc([N+](=O)[O-])cc1Br ZINC001558174184 1075956696 /nfs/dbraw/zinc/95/66/96/1075956696.db2.gz GYAIKVDAODDOEX-UHFFFAOYSA-N 0 0 367.155 2.699 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1ccc(S[C@H]2CCOC2=O)cc1 ZINC001558454526 1076009090 /nfs/dbraw/zinc/00/90/90/1076009090.db2.gz IIBCWACIBGXSQR-INIZCTEOSA-N 0 0 361.394 2.869 20 10 FFCDRN COC(=O)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)C1CCCCCC1 ZINC001558482920 1076013535 /nfs/dbraw/zinc/01/35/35/1076013535.db2.gz LXGWCODKBQLAAJ-HGPCXVNDSA-N 0 0 361.438 2.987 20 10 FFCDRN CN(C)c1ccc(/C=C\CNc2cccc(N3C(=O)CNC3=O)c2)cc1 ZINC001560280801 1076259764 /nfs/dbraw/zinc/25/97/64/1076259764.db2.gz QHUGUBAFYHDYQI-PLNGDYQASA-N 0 0 350.422 2.934 20 10 FFCDRN C[C@@H]1C[N@H+](Cc2cc(Br)cc(Br)c2[O-])C[C@H]1O ZINC001561021372 1076321072 /nfs/dbraw/zinc/32/10/72/1076321072.db2.gz JXWYRFJVYXHDAG-RDDDGLTNSA-N 0 0 365.065 2.730 20 10 FFCDRN O=S(=O)(NCc1cc(Cl)ccc1O)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC001561724862 1076413165 /nfs/dbraw/zinc/41/31/65/1076413165.db2.gz FWLGWBFEIASGLB-QWHCGFSZSA-N 0 0 358.891 2.892 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)CC34CCC(CC3)C4)C2)cc1 ZINC001561740799 1076415483 /nfs/dbraw/zinc/41/54/83/1076415483.db2.gz ZHYSMWOQEZDZMK-KOHRHEQBSA-N 0 0 364.511 2.774 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccncc1Br ZINC001562517172 1076500606 /nfs/dbraw/zinc/50/06/06/1076500606.db2.gz QDKJDLOTNMUUCU-UHFFFAOYSA-N 0 0 356.607 2.947 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CC[C@H](O)[C@@H]4CCCC[C@H]43)ccc21 ZINC001563791968 1076583411 /nfs/dbraw/zinc/58/34/11/1076583411.db2.gz JTTNJOHMXLIMFG-RLLQIKCJSA-N 0 0 357.498 2.904 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CC[C@H](O)[C@H]4CCCC[C@H]43)ccc21 ZINC001563791971 1076583502 /nfs/dbraw/zinc/58/35/02/1076583502.db2.gz JTTNJOHMXLIMFG-SXLOBPIMSA-N 0 0 357.498 2.904 20 10 FFCDRN Cc1noc(CCCNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)n1 ZINC001563930533 1076592743 /nfs/dbraw/zinc/59/27/43/1076592743.db2.gz DNXSVPXHFDETPR-UHFFFAOYSA-N 0 0 357.458 2.752 20 10 FFCDRN CN(C)[C@H](CNC(=O)NCc1c(O)cccc1F)c1c(F)cccc1F ZINC001564086437 1076604652 /nfs/dbraw/zinc/60/46/52/1076604652.db2.gz YSFFYDWRQPVZCE-OAHLLOKOSA-N 0 0 367.371 2.912 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCCC3(F)CCC3)CC2)c(OC)c1 ZINC001564874993 1076666618 /nfs/dbraw/zinc/66/66/18/1076666618.db2.gz QIIJICBNDQRRLS-UHFFFAOYSA-N 0 0 365.449 2.818 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cccc3c2OCCCO3)cc1 ZINC001566328923 1076946563 /nfs/dbraw/zinc/94/65/63/1076946563.db2.gz IIGAUOVWHRRABD-UHFFFAOYSA-N 0 0 354.366 2.940 20 10 FFCDRN COc1cccc(CNC(=O)c2ncsc2Nc2cccnc2)c1O ZINC001566374102 1076952978 /nfs/dbraw/zinc/95/29/78/1076952978.db2.gz UFPDREDFBIWJDV-UHFFFAOYSA-N 0 0 356.407 2.926 20 10 FFCDRN Cc1nc([C@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccc(Cl)cc2)no1 ZINC001567000735 1076993795 /nfs/dbraw/zinc/99/37/95/1076993795.db2.gz VSOILZIOVIRSGS-QGZVFWFLSA-N 0 0 373.796 2.891 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1[nH]ncc1C(F)(F)F ZINC001568605726 1077102760 /nfs/dbraw/zinc/10/27/60/1077102760.db2.gz SEQRMQIRMRNHDL-UHFFFAOYSA-N 0 0 364.121 2.827 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc(F)cc1OC1CCOCC1 ZINC001568924215 1077119016 /nfs/dbraw/zinc/11/90/16/1077119016.db2.gz DBRVRWFGTHCQOZ-UHFFFAOYSA-N 0 0 361.369 2.976 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC(=O)Nc1ncc[nH]1 ZINC001570121489 1077185855 /nfs/dbraw/zinc/18/58/55/1077185855.db2.gz DWGONPMLXCTZBI-UHFFFAOYSA-N 0 0 357.439 2.637 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001570463029 1077207659 /nfs/dbraw/zinc/20/76/59/1077207659.db2.gz FAIGMXXMBQISIX-HNNXBMFYSA-N 0 0 364.760 2.700 20 10 FFCDRN Cc1nc(C(=O)NCc2ccc3cccnc3c2O)nn1-c1ccccc1 ZINC001570531203 1077213566 /nfs/dbraw/zinc/21/35/66/1077213566.db2.gz ACVHBROQNSPSQK-UHFFFAOYSA-N 0 0 359.389 2.760 20 10 FFCDRN Cc1cc(C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC001570729403 1077226204 /nfs/dbraw/zinc/22/62/04/1077226204.db2.gz RUDFRLNODIPQQE-UHFFFAOYSA-N 0 0 372.812 2.879 20 10 FFCDRN Cc1ccc(C(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)c(O)c1O ZINC001587845048 1079876553 /nfs/dbraw/zinc/87/65/53/1079876553.db2.gz NXCCBDUJXMRPDZ-SHTZXODSSA-N 0 0 355.390 2.658 20 10 FFCDRN CC(=O)Nc1ccc(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])cn1 ZINC001589191485 1080406539 /nfs/dbraw/zinc/40/65/39/1080406539.db2.gz LTZGLWIOUCUMHG-UHFFFAOYSA-N 0 0 370.384 2.659 20 10 FFCDRN CC(C)S(=O)(=O)c1ccccc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000032712265 220671462 /nfs/dbraw/zinc/67/14/62/220671462.db2.gz WEBBPQVRZONVIA-UHFFFAOYSA-N 0 0 360.479 2.865 20 10 FFCDRN CC[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000132567964 509046295 /nfs/dbraw/zinc/04/62/95/509046295.db2.gz JJOHGQQCXYMVFN-VIFPVBQESA-N 0 0 353.054 2.778 20 10 FFCDRN COc1ccc(N2CCCN(Cc3ncnn3-c3ccccc3)CC2)cc1 ZINC000366894739 512238402 /nfs/dbraw/zinc/23/84/02/512238402.db2.gz VBRRQOITVMBLSP-UHFFFAOYSA-N 0 0 363.465 2.988 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(CS(C)(=O)=O)cc1 ZINC000066096796 506422885 /nfs/dbraw/zinc/42/28/85/506422885.db2.gz ACRLRKRNUNZNSG-UHFFFAOYSA-N 0 0 361.463 2.989 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1 ZINC000053752698 506439897 /nfs/dbraw/zinc/43/98/97/506439897.db2.gz NTRKXHCARKRBOI-UHFFFAOYSA-N 0 0 356.382 2.753 20 10 FFCDRN COc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c(C)c1 ZINC000066219335 506451372 /nfs/dbraw/zinc/45/13/72/506451372.db2.gz MZKKJCUGHPYGNC-UHFFFAOYSA-N 0 0 367.449 2.641 20 10 FFCDRN NC(=O)c1cnc(NCc2ccc(N3CCSCC3)cc2)c(Cl)c1 ZINC000054060825 506485646 /nfs/dbraw/zinc/48/56/46/506485646.db2.gz VCRNCSYUGAYZBM-UHFFFAOYSA-N 0 0 362.886 2.999 20 10 FFCDRN COc1ccccc1OCCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054285082 506531713 /nfs/dbraw/zinc/53/17/13/506531713.db2.gz PVXPUGBYPYPKAE-UHFFFAOYSA-N 0 0 370.449 2.617 20 10 FFCDRN Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000042123856 506600240 /nfs/dbraw/zinc/60/02/40/506600240.db2.gz VWLDPWDWNVPDNJ-LJQANCHMSA-N 0 0 360.479 2.710 20 10 FFCDRN CCN(Cc1ccncc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786793 506622381 /nfs/dbraw/zinc/62/23/81/506622381.db2.gz WVWKVSMKDRHVSG-UHFFFAOYSA-N 0 0 354.454 2.650 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](C)Sc2nncn2C)cc1F ZINC000066841163 506660328 /nfs/dbraw/zinc/66/03/28/506660328.db2.gz UYBIGPDPRONXBF-GFCCVEGCSA-N 0 0 365.478 2.597 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC(c3ccccc3)CC2)c1 ZINC000055189951 506695848 /nfs/dbraw/zinc/69/58/48/506695848.db2.gz SNWLYMCQMLWMAA-UHFFFAOYSA-N 0 0 374.462 2.784 20 10 FFCDRN CC(=O)Nc1ccc(O)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000055248465 506708542 /nfs/dbraw/zinc/70/85/42/506708542.db2.gz DFVDLNFSJNZCNS-UHFFFAOYSA-N 0 0 353.422 2.881 20 10 FFCDRN COc1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1OC ZINC000055522881 506768425 /nfs/dbraw/zinc/76/84/25/506768425.db2.gz MXWYMGHOTDYYFI-UHFFFAOYSA-N 0 0 374.412 2.610 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCc3cccnc3OC)CC2)cc1 ZINC000056386944 507000706 /nfs/dbraw/zinc/00/07/06/507000706.db2.gz NFKGDASRBSCIBG-UHFFFAOYSA-N 0 0 370.453 2.521 20 10 FFCDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2O)c(OCC(=O)N(C)C)c1 ZINC000056774575 507089222 /nfs/dbraw/zinc/08/92/22/507089222.db2.gz WRQOIRJPYOEPDX-UHFFFAOYSA-N 0 0 371.437 2.832 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc2c([nH]c1=O)CCCC2 ZINC000068308666 507179369 /nfs/dbraw/zinc/17/93/69/507179369.db2.gz WYIFVAYUDDYNRW-UHFFFAOYSA-N 0 0 353.466 2.982 20 10 FFCDRN COc1cccc(CNC(=O)c2cccc(NC(=O)[C@H]3C[C@@H]3C)c2)c1O ZINC000068489141 507248588 /nfs/dbraw/zinc/24/85/88/507248588.db2.gz 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O=C(/C=C/c1ccc(N2CCOCC2)cc1)N(CCO)Cc1ccccc1 ZINC000129914429 508779176 /nfs/dbraw/zinc/77/91/76/508779176.db2.gz RNZZQUGTODZURK-DHZHZOJOSA-N 0 0 366.461 2.558 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000159076342 508789956 /nfs/dbraw/zinc/78/99/56/508789956.db2.gz MDVRJZFXFLWJSA-UHFFFAOYSA-N 0 0 371.393 2.926 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](n3cncn3)C2)c(C)n1-c1ccc(F)cc1 ZINC000373601081 512419066 /nfs/dbraw/zinc/41/90/66/512419066.db2.gz JZTXATXZXBTPAL-KRWDZBQOSA-N 0 0 353.401 2.912 20 10 FFCDRN Cc1nccn1CCCN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000130715205 508835985 /nfs/dbraw/zinc/83/59/85/508835985.db2.gz NDVDLUYUXLQYJN-RMKNXTFCSA-N 0 0 368.481 2.590 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000151260257 508988330 /nfs/dbraw/zinc/98/83/30/508988330.db2.gz YDLCLPHWYGVMDU-KSSFIOAISA-N 0 0 351.468 2.549 20 10 FFCDRN COCCN(Cc1cccnc1)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000155664379 509048422 /nfs/dbraw/zinc/04/84/22/509048422.db2.gz 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AUXRURXQUFSAGA-UHFFFAOYSA-N 0 0 361.515 2.530 20 10 FFCDRN COc1cccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000264703590 509656943 /nfs/dbraw/zinc/65/69/43/509656943.db2.gz GMOLVPZNOKSFFF-JXMROGBWSA-N 0 0 352.434 2.861 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCC(=O)N2Cc2ccc(C)cc2)c1 ZINC000173579749 509657898 /nfs/dbraw/zinc/65/78/98/509657898.db2.gz OHQQCHCQWKGMAA-SFHVURJKSA-N 0 0 368.433 2.517 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3cccnc3)cc2F)C[C@H](C)O1 ZINC000264722105 509666533 /nfs/dbraw/zinc/66/65/33/509666533.db2.gz PPKRKUIWDDMWES-GJZGRUSLSA-N 0 0 357.429 2.693 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)CNC(=O)OCC(F)(F)F)C2CC2)cc1 ZINC000264754777 509685115 /nfs/dbraw/zinc/68/51/15/509685115.db2.gz MUVZBGHYFSSNOF-UHFFFAOYSA-N 0 0 373.375 2.532 20 10 FFCDRN CCCNC(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)nc1 ZINC000264825895 509727600 /nfs/dbraw/zinc/72/76/00/509727600.db2.gz CBEZCTKCKVNQRE-UHFFFAOYSA-N 0 0 354.454 2.670 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccc(N)cc2)ccc1[N+](=O)[O-] ZINC000237841727 509749781 /nfs/dbraw/zinc/74/97/81/509749781.db2.gz KXBRWAJXVVQMFZ-QGZVFWFLSA-N 0 0 368.393 2.729 20 10 FFCDRN Cc1nn(C(F)F)c(C)c1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183478014 509813770 /nfs/dbraw/zinc/81/37/70/509813770.db2.gz UWOADKNKMAHAHC-SECBINFHSA-N 0 0 353.369 2.596 20 10 FFCDRN Nc1ccc(CC(=O)N2C[C@H](CCN3CCCC3=O)c3ccccc32)cc1 ZINC000238069404 509814991 /nfs/dbraw/zinc/81/49/91/509814991.db2.gz KTGODUNZQDTDJD-KRWDZBQOSA-N 0 0 363.461 2.954 20 10 FFCDRN Nc1ccc(CCNC(=O)CCCNC(=O)c2ccc(Cl)cc2)cc1 ZINC000238121806 509823459 /nfs/dbraw/zinc/82/34/59/509823459.db2.gz LSTBJRSTSYUTRL-UHFFFAOYSA-N 0 0 359.857 2.791 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000265118691 509869205 /nfs/dbraw/zinc/86/92/05/509869205.db2.gz CBSDETURQJLVEL-DOTOQJQBSA-N 0 0 361.486 2.961 20 10 FFCDRN Cc1n[nH]c(=O)c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1C ZINC000170975001 509875798 /nfs/dbraw/zinc/87/57/98/509875798.db2.gz LNKSTZLWLDJZSS-UHFFFAOYSA-N 0 0 354.454 2.553 20 10 FFCDRN O=CNc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000177153477 509905280 /nfs/dbraw/zinc/90/52/80/509905280.db2.gz QOTYRCSBMKVDRK-SFHVURJKSA-N 0 0 354.406 2.782 20 10 FFCDRN Cc1ccc(F)cc1S(=O)(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000174064775 509931091 /nfs/dbraw/zinc/93/10/91/509931091.db2.gz ONOFBHFIKWTZSY-UHFFFAOYSA-N 0 0 350.415 2.788 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1c(F)cccc1F ZINC000174063385 509931707 /nfs/dbraw/zinc/93/17/07/509931707.db2.gz QWBJBORKKLVWFJ-UHFFFAOYSA-N 0 0 354.378 2.619 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H](CO)c2c(F)cccc2F)cc1F ZINC000265229910 509934455 /nfs/dbraw/zinc/93/44/55/509934455.db2.gz MTOSUZLGAYFVDJ-HNNXBMFYSA-N 0 0 367.371 2.703 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](C)n1cccn1 ZINC000268472577 509954307 /nfs/dbraw/zinc/95/43/07/509954307.db2.gz GUDKBHKYFKOVDF-LLVKDONJSA-N 0 0 352.232 2.961 20 10 FFCDRN Cc1cccnc1/C=C/C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000183818767 509991652 /nfs/dbraw/zinc/99/16/52/509991652.db2.gz ZENFAYANZWIUEO-FNORWQNLSA-N 0 0 369.440 2.820 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)oc2ncn(C)c(=O)c21 ZINC000193630624 509998226 /nfs/dbraw/zinc/99/82/26/509998226.db2.gz LMUYYNTWLJBRAH-UHFFFAOYSA-N 0 0 368.437 2.563 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2cccc(-n3cncn3)c2)cc1 ZINC000265401272 510034348 /nfs/dbraw/zinc/03/43/48/510034348.db2.gz KSDCXRNXQYKIQY-UHFFFAOYSA-N 0 0 364.453 2.675 20 10 FFCDRN CSC(C)(C)CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000174356530 510075907 /nfs/dbraw/zinc/07/59/07/510075907.db2.gz MNLCUIUGGBPZNY-UHFFFAOYSA-N 0 0 365.543 2.836 20 10 FFCDRN COc1cccc(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c1O ZINC000269167013 510269021 /nfs/dbraw/zinc/26/90/21/510269021.db2.gz FVUKJOPYBJDEPE-IBGZPJMESA-N 0 0 370.430 2.646 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)c1O ZINC000269211857 510294841 /nfs/dbraw/zinc/29/48/41/510294841.db2.gz WNDVCTQZPNRLOF-OAHLLOKOSA-N 0 0 366.458 2.956 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCc1cc(F)ccc1N1CCOCC1 ZINC000265932235 510307376 /nfs/dbraw/zinc/30/73/76/510307376.db2.gz JHDPYCKQJZMAPX-UHFFFAOYSA-N 0 0 373.428 2.710 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCO[C@@]4(CCOC4)C3)cc2)CC1 ZINC000184450876 510331363 /nfs/dbraw/zinc/33/13/63/510331363.db2.gz WJMHMAADVHEBTH-NRFANRHFSA-N 0 0 373.497 2.624 20 10 FFCDRN CSCCCCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000187561137 510331867 /nfs/dbraw/zinc/33/18/67/510331867.db2.gz SMNUUXIEIHKVAE-UHFFFAOYSA-N 0 0 369.506 2.995 20 10 FFCDRN OC[C@H]1CCCN(c2cc(NCc3ccc(N4CCCC4)cc3)ncn2)C1 ZINC000171838264 510401675 /nfs/dbraw/zinc/40/16/75/510401675.db2.gz PLGFCLCBNNCFJG-SFHVURJKSA-N 0 0 367.497 2.898 20 10 FFCDRN CCn1nc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1Cl ZINC000266121644 510419130 /nfs/dbraw/zinc/41/91/30/510419130.db2.gz WNHACHOWDGXOLK-UHFFFAOYSA-N 0 0 362.861 2.631 20 10 FFCDRN COc1cc(C(=O)NCc2ccc(N(C)C)cc2)cc(NC(C)=O)c1OC ZINC000266206457 510460689 /nfs/dbraw/zinc/46/06/89/510460689.db2.gz DBKJZDYGBQWZET-UHFFFAOYSA-N 0 0 371.437 2.658 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(COC(C)(C)C)on3)CC2)cc1 ZINC000184696982 510469091 /nfs/dbraw/zinc/46/90/91/510469091.db2.gz PQLZIHJYXRDZJL-UHFFFAOYSA-N 0 0 373.453 2.961 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c1O ZINC000266370509 510545616 /nfs/dbraw/zinc/54/56/16/510545616.db2.gz DSBUAUYOCACMJR-CQSZACIVSA-N 0 0 371.437 2.948 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1ccc(F)c(F)c1[O-] ZINC000191215354 510552349 /nfs/dbraw/zinc/55/23/49/510552349.db2.gz UEVLPBQHDRBSRC-NSHDSACASA-N 0 0 370.421 2.772 20 10 FFCDRN COc1cccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c1O ZINC000175339843 510598648 /nfs/dbraw/zinc/59/86/48/510598648.db2.gz ZLHYSFNDSPIRGJ-UHFFFAOYSA-N 0 0 359.382 2.818 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@](C)(O)c1ccccc1 ZINC000181819741 510611571 /nfs/dbraw/zinc/61/15/71/510611571.db2.gz HFQDTVRDZQCZFM-QFIPXVFZSA-N 0 0 368.477 2.779 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)COc1cccnc1 ZINC000266550488 510652989 /nfs/dbraw/zinc/65/29/89/510652989.db2.gz RXHMWLAACMDRET-UHFFFAOYSA-N 0 0 365.227 2.977 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCOC[C@@]34CCOC4)c2C)cc1 ZINC000195191281 510707921 /nfs/dbraw/zinc/70/79/21/510707921.db2.gz JVDDTVUGEIRXLP-NRFANRHFSA-N 0 0 370.449 2.734 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000175719281 510751640 /nfs/dbraw/zinc/75/16/40/510751640.db2.gz SXLNSVAPAOAURK-KRWDZBQOSA-N 0 0 371.485 2.716 20 10 FFCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000178869429 510813219 /nfs/dbraw/zinc/81/32/19/510813219.db2.gz RBHGRYLRWJSSFT-RTWAWAEBSA-N 0 0 367.493 2.607 20 10 FFCDRN O=S(=O)(C[C@@H]1CCOC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000172659573 510838725 /nfs/dbraw/zinc/83/87/25/510838725.db2.gz MFGVATNJOHSVIZ-OAHLLOKOSA-N 0 0 353.484 2.893 20 10 FFCDRN CC[C@@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1cccc(S(N)(=O)=O)c1 ZINC000293868837 510881447 /nfs/dbraw/zinc/88/14/47/510881447.db2.gz SMOZRUMWKZEEDR-GOSISDBHSA-N 0 0 361.511 2.949 20 10 FFCDRN COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)cc1F ZINC000275433739 510900438 /nfs/dbraw/zinc/90/04/38/510900438.db2.gz GLARHOZMVBGVAS-UHFFFAOYSA-N 0 0 371.412 2.755 20 10 FFCDRN CC(=O)c1cccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 ZINC000275546562 510905736 /nfs/dbraw/zinc/90/57/36/510905736.db2.gz LMIHKAXGHGWMNV-UHFFFAOYSA-N 0 0 365.433 2.810 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(C(=O)N(C)C)c1 ZINC000275854957 510918755 /nfs/dbraw/zinc/91/87/55/510918755.db2.gz SHVFQDRIGZBDIK-LBPRGKRZSA-N 0 0 357.410 2.552 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc2c1OCCO2 ZINC000275862079 510919376 /nfs/dbraw/zinc/91/93/76/510919376.db2.gz JEZHJIKINVUTSC-UHFFFAOYSA-N 0 0 370.405 2.541 20 10 FFCDRN CO[C@@H](C)[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000276148354 510928927 /nfs/dbraw/zinc/92/89/27/510928927.db2.gz PNWHQZWEMSTYKZ-XGUBFFRZSA-N 0 0 367.465 2.662 20 10 FFCDRN COC(=O)COc1ccc(N(C)CCOCC(F)(F)C(F)F)cc1 ZINC000276309923 510932141 /nfs/dbraw/zinc/93/21/41/510932141.db2.gz YJUVVVGMNKFCGF-UHFFFAOYSA-N 0 0 353.312 2.592 20 10 FFCDRN CCS(=O)(=O)c1ccccc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000276299480 510932417 /nfs/dbraw/zinc/93/24/17/510932417.db2.gz LHFBVXAUSANQEI-UHFFFAOYSA-N 0 0 374.506 2.953 20 10 FFCDRN CCOCCOCc1cccc(CNC(=O)c2c(F)ccc(O)c2O)c1 ZINC000276507245 510940781 /nfs/dbraw/zinc/94/07/81/510940781.db2.gz DKBMIBBMQCUZMT-UHFFFAOYSA-N 0 0 363.385 2.720 20 10 FFCDRN COc1cccc(N2CC[C@@H](CNC(=O)c3c(F)ccc(O)c3O)C2)c1 ZINC000276538714 510941994 /nfs/dbraw/zinc/94/19/94/510941994.db2.gz FTZCJAPCJOPOQI-LBPRGKRZSA-N 0 0 360.385 2.502 20 10 FFCDRN COc1ccccc1N1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC000276617384 510942854 /nfs/dbraw/zinc/94/28/54/510942854.db2.gz QFMWMRIMUJTSMY-LBPRGKRZSA-N 0 0 360.385 2.502 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C2CCCCC2)C1=O ZINC000276806083 510947039 /nfs/dbraw/zinc/94/70/39/510947039.db2.gz UDIZPZGGXAFYQB-QGZVFWFLSA-N 0 0 359.470 2.857 20 10 FFCDRN CCNC(=O)C1(CNC(=O)N(CC)Cc2ccc(N(C)C)cc2)CCC1 ZINC000276894491 510948408 /nfs/dbraw/zinc/94/84/08/510948408.db2.gz NZCOCTWNFBZCBI-UHFFFAOYSA-N 0 0 360.502 2.591 20 10 FFCDRN O=C1N[C@@H](C2CC2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000277141133 510955696 /nfs/dbraw/zinc/95/56/96/510955696.db2.gz BYQMQCGXRRGZAD-HIFRSBDPSA-N 0 0 365.380 2.587 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cc1ccc(C(N)=O)cc1 ZINC000277260266 510958059 /nfs/dbraw/zinc/95/80/59/510958059.db2.gz OTJQTGPHHCYMLX-UHFFFAOYSA-N 0 0 365.477 2.977 20 10 FFCDRN C[C@@H]1C(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)N1C ZINC000277282159 510958346 /nfs/dbraw/zinc/95/83/46/510958346.db2.gz SYQDMTVVOWZHLE-DGCLKSJQSA-N 0 0 353.369 2.539 20 10 FFCDRN CCN(CC)c1ccc(C[NH2+][C@H](CN2CCCCC2)C(=O)[O-])cc1F ZINC000277312737 510960309 /nfs/dbraw/zinc/96/03/09/510960309.db2.gz NNBXKIMDHPXQTR-QGZVFWFLSA-N 0 0 351.466 2.701 20 10 FFCDRN Cc1nn(C)cc1[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277333838 510960510 /nfs/dbraw/zinc/96/05/10/510960510.db2.gz MRKYJTVTPMNWEA-LLVKDONJSA-N 0 0 362.817 2.613 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000277414043 510961484 /nfs/dbraw/zinc/96/14/84/510961484.db2.gz KQFGYBIOXCLCGA-JSGCOSHPSA-N 0 0 369.259 2.912 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000277414049 510961679 /nfs/dbraw/zinc/96/16/79/510961679.db2.gz KQFGYBIOXCLCGA-OCCSQVGLSA-N 0 0 369.259 2.912 20 10 FFCDRN Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000277392220 510962110 /nfs/dbraw/zinc/96/21/10/510962110.db2.gz JENQYACEQHDEBB-SECBINFHSA-N 0 0 367.247 2.757 20 10 FFCDRN COC(=O)[C@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000277605819 510967687 /nfs/dbraw/zinc/96/76/87/510967687.db2.gz USUPNYDSPFHOSY-QWRGUYRKSA-N 0 0 370.243 2.750 20 10 FFCDRN CC(C)N(Cc1nnnn1CC1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000277653589 510968772 /nfs/dbraw/zinc/96/87/72/510968772.db2.gz IKERDKOSSVKANM-UHFFFAOYSA-N 0 0 372.517 2.576 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)cc1F ZINC000277967226 510977554 /nfs/dbraw/zinc/97/75/54/510977554.db2.gz ADGLSXIWSTZZHV-CQSZACIVSA-N 0 0 373.354 2.728 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278112503 510982305 /nfs/dbraw/zinc/98/23/05/510982305.db2.gz BTAOCNBYBMUOQK-JPQMIFPKSA-N 0 0 364.423 2.897 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CC[C@H]1C(=O)OC ZINC000285626288 510982999 /nfs/dbraw/zinc/98/29/99/510982999.db2.gz KCMSUMUAJAJHMR-CHWSQXEVSA-N 0 0 370.243 2.702 20 10 FFCDRN COc1c(O)c(CN2CCOC[C@@H]2c2nc(C)cs2)ccc1[N+](=O)[O-] ZINC000278380813 510992671 /nfs/dbraw/zinc/99/26/71/510992671.db2.gz LSCFGALQCFYHLQ-CYBMUJFWSA-N 0 0 365.411 2.647 20 10 FFCDRN COc1c(O)c(CNc2cccc(N3CCCNC3=O)c2)ccc1[N+](=O)[O-] ZINC000278829299 511008589 /nfs/dbraw/zinc/00/85/89/511008589.db2.gz IOOLAWKSWKDXMQ-UHFFFAOYSA-N 0 0 372.381 2.841 20 10 FFCDRN O=C(c1cnc2n1CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000361187177 511008606 /nfs/dbraw/zinc/00/86/06/511008606.db2.gz HZEOJBCPTGHHHD-MRXNPFEDSA-N 0 0 355.438 2.746 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCc3ccccc32)cc1F ZINC000285757026 511013445 /nfs/dbraw/zinc/01/34/45/511013445.db2.gz QRUQASGFGBPDHR-GOSISDBHSA-N 0 0 369.440 2.654 20 10 FFCDRN CCOc1ccc(O)c(CNc2ccc(C)c(S(=O)(=O)NC)c2)c1 ZINC000285718568 511013795 /nfs/dbraw/zinc/01/37/95/511013795.db2.gz WUNIMJLLOWWNDW-UHFFFAOYSA-N 0 0 350.440 2.620 20 10 FFCDRN CC[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1)c1ccc(F)cc1[O-] ZINC000285831622 511015413 /nfs/dbraw/zinc/01/54/13/511015413.db2.gz XTPLPZPCKSHIIA-CJNGLKHVSA-N 0 0 356.463 2.529 20 10 FFCDRN Cc1ccc(O)c(CNc2cccc(S(=O)(=O)NC3=NCCC3)c2)c1 ZINC000285813060 511015601 /nfs/dbraw/zinc/01/56/01/511015601.db2.gz GLYADOIPDJPVGN-UHFFFAOYSA-N 0 0 359.451 2.783 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCC1(CO)CC2(CCC2)C1 ZINC000279175072 511020583 /nfs/dbraw/zinc/02/05/83/511020583.db2.gz RTNTVGUEEMGHGM-QPJJXVBHSA-N 0 0 370.493 2.595 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)c(C)n1-c1ccccn1 ZINC000279229325 511021716 /nfs/dbraw/zinc/02/17/16/511021716.db2.gz GESVXLISSXUAGY-LUQKVYGDSA-N 0 0 369.465 2.898 20 10 FFCDRN O=C(N[C@H]1CCSC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000287102476 511039306 /nfs/dbraw/zinc/03/93/06/511039306.db2.gz WAVMITUQNJUERN-HNNXBMFYSA-N 0 0 362.495 2.675 20 10 FFCDRN Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000297724159 511047798 /nfs/dbraw/zinc/04/77/98/511047798.db2.gz CDGJRWSIJGRFMD-UHFFFAOYSA-N 0 0 370.409 2.533 20 10 FFCDRN CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cccc(Cl)c1[O-] ZINC000287556572 511052855 /nfs/dbraw/zinc/05/28/55/511052855.db2.gz FYTBBDGALLMYKG-HNNXBMFYSA-N 0 0 360.907 2.900 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000364739455 511055213 /nfs/dbraw/zinc/05/52/13/511055213.db2.gz ZXKXCKUGHCYGQR-LJQANCHMSA-N 0 0 374.448 2.770 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CCCS(=O)(=O)C2)cc1 ZINC000288106775 511064952 /nfs/dbraw/zinc/06/49/52/511064952.db2.gz IMETXWYOPZZFHM-MRXNPFEDSA-N 0 0 360.479 2.649 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000288137695 511065711 /nfs/dbraw/zinc/06/57/11/511065711.db2.gz FKVXUTLYMHFLBO-KRWDZBQOSA-N 0 0 374.481 2.739 20 10 FFCDRN COCC[C@@H]1NC(=O)N(Cc2ccc(N(C)C3CCCCC3)cc2)C1=O ZINC000288314034 511071112 /nfs/dbraw/zinc/07/11/12/511071112.db2.gz MDVVBMXZDHZTQV-SFHVURJKSA-N 0 0 359.470 2.912 20 10 FFCDRN CC(C)[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nncn1C ZINC000288461531 511076665 /nfs/dbraw/zinc/07/66/65/511076665.db2.gz OUCMJTNOYSLGHO-GOSISDBHSA-N 0 0 370.501 2.952 20 10 FFCDRN CN1CC[C@@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000271080811 511077038 /nfs/dbraw/zinc/07/70/38/511077038.db2.gz ZUFGKDHDDLHTTO-AEFFLSMTSA-N 0 0 361.392 2.915 20 10 FFCDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3cccc(O)c3O)ccc2NC1=O ZINC000279425137 511078885 /nfs/dbraw/zinc/07/88/85/511078885.db2.gz YRDSEEUDFXUJRJ-BONVTDFDSA-N 0 0 356.378 2.698 20 10 FFCDRN CCn1nccc1C1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000279436144 511081928 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CN(C)c1ccc(CNC(=O)C(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000283811458 511506983 /nfs/dbraw/zinc/50/69/83/511506983.db2.gz XKPMIWMNFHQFQY-UHFFFAOYSA-N 0 0 351.450 2.560 20 10 FFCDRN CC[C@@H]1C[C@@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000273008221 511515407 /nfs/dbraw/zinc/51/54/07/511515407.db2.gz PMMYRLPTFTZAEQ-SWLSCSKDSA-N 0 0 369.845 2.752 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C/c3cnccc3C)CC2)cc1F ZINC000273113201 511517909 /nfs/dbraw/zinc/51/79/09/511517909.db2.gz CPNSTVICSDPZRQ-ZZXKWVIFSA-N 0 0 355.413 2.900 20 10 FFCDRN CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273162247 511519470 /nfs/dbraw/zinc/51/94/70/511519470.db2.gz KSMTZXSACANWGX-OCCSQVGLSA-N 0 0 357.406 2.815 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1 ZINC000273367249 511522980 /nfs/dbraw/zinc/52/29/80/511522980.db2.gz FHUUHHHAVJSTAY-UONOGXRCSA-N 0 0 356.422 2.534 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000273427541 511526168 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ZINC000301846772 511702785 /nfs/dbraw/zinc/70/27/85/511702785.db2.gz MYGUCGRYEYJJPS-MRXNPFEDSA-N 0 0 352.442 2.605 20 10 FFCDRN COc1ccc(N2CCN(c3nnc(-c4ccccn4)s3)CC2)cc1 ZINC000302179259 511706649 /nfs/dbraw/zinc/70/66/49/511706649.db2.gz YOXTXJOOIGVJRA-UHFFFAOYSA-N 0 0 353.451 2.935 20 10 FFCDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000302093787 511707204 /nfs/dbraw/zinc/70/72/04/511707204.db2.gz NDGXSNUXJYXZRP-UHFFFAOYSA-N 0 0 371.393 2.830 20 10 FFCDRN CN(C)c1ccc(CN(C)c2ncnc3ccc(S(C)(=O)=O)cc32)cc1 ZINC000302805441 511717192 /nfs/dbraw/zinc/71/71/92/511717192.db2.gz WPVIXAQRBGSJID-UHFFFAOYSA-N 0 0 370.478 2.736 20 10 FFCDRN CC(C)(C)c1n[nH]cc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000292922610 511773007 /nfs/dbraw/zinc/77/30/07/511773007.db2.gz YEKXYIZCVNPDPB-UHFFFAOYSA-N 0 0 360.433 2.613 20 10 FFCDRN COc1cccc(CNC(=O)Nc2c(C)c(C(F)(F)F)nn2C)c1O ZINC000274401607 511822781 /nfs/dbraw/zinc/82/27/81/511822781.db2.gz KKTNPCSFKRXLMF-UHFFFAOYSA-N 0 0 358.320 2.783 20 10 FFCDRN CCC1(CC)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCS1 ZINC000274409112 511825344 /nfs/dbraw/zinc/82/53/44/511825344.db2.gz LXEMPCOMTGPUPE-UHFFFAOYSA-N 0 0 372.512 2.512 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000366108050 511843816 /nfs/dbraw/zinc/84/38/16/511843816.db2.gz XDJMFIBNKRMGDJ-MRXNPFEDSA-N 0 0 355.486 2.953 20 10 FFCDRN Cc1nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)o1 ZINC000293178697 511870483 /nfs/dbraw/zinc/87/04/83/511870483.db2.gz YIQSTMGJLRILDJ-RYUDHWBXSA-N 0 0 361.417 2.974 20 10 FFCDRN NC(=S)c1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000281551434 511887952 /nfs/dbraw/zinc/88/79/52/511887952.db2.gz KYCROTQWRRIXKA-QGZVFWFLSA-N 0 0 370.474 2.848 20 10 FFCDRN CCOc1ncccc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000364050763 511930655 /nfs/dbraw/zinc/93/06/55/511930655.db2.gz BXRGTYNHEFVZOV-UHFFFAOYSA-N 0 0 355.438 2.841 20 10 FFCDRN CCn1nc(C)c(CC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1C ZINC000293374106 511940972 /nfs/dbraw/zinc/94/09/72/511940972.db2.gz MJXMOQYGTJDCME-GOSISDBHSA-N 0 0 371.481 2.976 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)Cc1cnc2ccccc2n1 ZINC000293407423 511953940 /nfs/dbraw/zinc/95/39/40/511953940.db2.gz HBPBENBUFFOGAO-KBPBESRZSA-N 0 0 365.433 2.967 20 10 FFCDRN Cc1cc(C(=O)N2CCc3n[nH]c(=O)cc3C2)c(C)n1-c1ccc(F)cc1 ZINC000274849745 511963289 /nfs/dbraw/zinc/96/32/89/511963289.db2.gz HFSIFXPZSUMUKT-UHFFFAOYSA-N 0 0 366.396 2.515 20 10 FFCDRN Cc1cc(CC(=O)N[C@H]2CCC[N@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000366403076 512001894 /nfs/dbraw/zinc/00/18/94/512001894.db2.gz SSTHQWYYWWLNPV-HNNXBMFYSA-N 0 0 363.845 2.665 20 10 FFCDRN CN1C(=O)C[C@@H](C(=O)NCc2ccc(N)cc2)[C@H]1c1cccc(Cl)c1 ZINC000297146004 512036459 /nfs/dbraw/zinc/03/64/59/512036459.db2.gz IMIGEIYFCCSLTF-SJLPKXTDSA-N 0 0 357.841 2.758 20 10 FFCDRN CS(=O)(=O)C[C@H]1CCCN(Cc2ccc(N3CCCCC3)cc2)C1 ZINC000293820068 512091839 /nfs/dbraw/zinc/09/18/39/512091839.db2.gz FTVZXSRQSZGMBT-SFHVURJKSA-N 0 0 350.528 2.934 20 10 FFCDRN CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000367534629 512547485 /nfs/dbraw/zinc/54/74/85/512547485.db2.gz XOUZPQVXKHATPV-YCXXCVGLSA-N 0 0 363.477 2.656 20 10 FFCDRN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000367588182 512573419 /nfs/dbraw/zinc/57/34/19/512573419.db2.gz LDHLHQWIDACULW-MRXNPFEDSA-N 0 0 356.463 2.529 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000369737199 512581678 /nfs/dbraw/zinc/58/16/78/512581678.db2.gz GGQUARBCODRORA-YLJYHZDGSA-N 0 0 361.486 2.670 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccn(-c2ncccc2F)n1 ZINC000378286829 512677493 /nfs/dbraw/zinc/67/74/93/512677493.db2.gz ITGDYPVJQWKQOJ-UHFFFAOYSA-N 0 0 369.400 2.978 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@H](COC(C)C)C2)c(C)n1-c1ccccn1 ZINC000372189641 512752062 /nfs/dbraw/zinc/75/20/62/512752062.db2.gz ZNAUYOZPVXFOAL-QGZVFWFLSA-N 0 0 357.454 2.755 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](Oc4ccccc4)C3)cc2N1 ZINC000370540044 512985804 /nfs/dbraw/zinc/98/58/04/512985804.db2.gz XFRIWDBAWKRAFP-ZDUSSCGKSA-N 0 0 355.350 2.583 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)NC(=O)CCS2 ZINC000376921614 513050093 /nfs/dbraw/zinc/05/00/93/513050093.db2.gz FJKQFMOMPZIZIV-NSHDSACASA-N 0 0 372.446 2.893 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(OC[C@H]3CCOC3)CC2)c1[O-] ZINC000374909244 513066639 /nfs/dbraw/zinc/06/66/39/513066639.db2.gz JHSHXQNCWMFQRQ-LBPRGKRZSA-N 0 0 370.833 2.971 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC3CCN(OC)CC3)ccc21 ZINC000422059887 513555140 /nfs/dbraw/zinc/55/51/40/513555140.db2.gz XKJYNGXXVLLMMG-UHFFFAOYSA-N 0 0 359.470 2.660 20 10 FFCDRN COC(=O)c1ncoc1CCC(=O)NCc1c(C)c2ccccc2n1C ZINC000413752391 513801022 /nfs/dbraw/zinc/80/10/22/513801022.db2.gz CAHIZMPLYDIKIH-UHFFFAOYSA-N 0 0 355.394 2.510 20 10 FFCDRN CCc1nnc(-c2ccc(NC(=O)C3=S=C(c4cc[nH]n4)C=C3)cc2)o1 ZINC000431846482 514017615 /nfs/dbraw/zinc/01/76/15/514017615.db2.gz JBEFOGLKHWWJKR-UHFFFAOYSA-N 0 0 365.418 2.657 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC(OC(F)F)C3)ccc21 ZINC000437606292 514192686 /nfs/dbraw/zinc/19/26/86/514192686.db2.gz QFBWOJVFPZEHSK-UHFFFAOYSA-N 0 0 352.381 2.968 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc(-n2cnnn2)cc1 ZINC000471136179 514766096 /nfs/dbraw/zinc/76/60/96/514766096.db2.gz IHYCERMBFGBONX-UHFFFAOYSA-N 0 0 361.409 2.784 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCNC(=O)Cc1ccccc1 ZINC000471219911 514803889 /nfs/dbraw/zinc/80/38/89/514803889.db2.gz KKTMTDAXBSGKOD-UHFFFAOYSA-N 0 0 363.461 2.852 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000471231224 514806563 /nfs/dbraw/zinc/80/65/63/514806563.db2.gz ZSKFGHYCVZGBDC-UHFFFAOYSA-N 0 0 372.428 2.963 20 10 FFCDRN COC(=O)c1cc(NC(=O)NCc2c(C)c3ccccc3n2C)cn1C ZINC000467959963 515178312 /nfs/dbraw/zinc/17/83/12/515178312.db2.gz UCPPMRIEMJXERB-UHFFFAOYSA-N 0 0 354.410 2.934 20 10 FFCDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472234606 515179098 /nfs/dbraw/zinc/17/90/98/515179098.db2.gz WBMMMPIIISROJV-OAHLLOKOSA-N 0 0 357.376 2.941 20 10 FFCDRN CCc1c(C(=O)NCc2c(C)c3ccccc3n2C)[nH]c(C)c1C(N)=O ZINC000473271190 515557824 /nfs/dbraw/zinc/55/78/24/515557824.db2.gz RNLXBCKVYOIBLD-UHFFFAOYSA-N 0 0 352.438 2.715 20 10 FFCDRN CN(C)c1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)nc1 ZINC000460276714 516098331 /nfs/dbraw/zinc/09/83/31/516098331.db2.gz MPRLTTOMJXTYDN-UHFFFAOYSA-N 0 0 366.446 2.616 20 10 FFCDRN COCCO[C@@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000511970863 516098436 /nfs/dbraw/zinc/09/84/36/516098436.db2.gz OEZVHGZJFAANGM-MRXNPFEDSA-N 0 0 359.470 2.824 20 10 FFCDRN CC[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000483556549 516131764 /nfs/dbraw/zinc/13/17/64/516131764.db2.gz OENOBPWLPVKFHZ-ZFWWWQNUSA-N 0 0 373.497 2.938 20 10 FFCDRN CNC(=O)c1ccc(NC(=O)N[C@@H](C)c2cc(OC)ccc2O)c(OC)c1 ZINC000529184399 516988964 /nfs/dbraw/zinc/98/89/64/516988964.db2.gz ICEJPKGUBRMTAJ-NSHDSACASA-N 0 0 373.409 2.652 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCc1c(C)nc(=O)[nH]c1C ZINC000525942477 517247970 /nfs/dbraw/zinc/24/79/70/517247970.db2.gz GUAYWASHCKBYAQ-UHFFFAOYSA-N 0 0 352.438 2.848 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](Cc2cnn(C)c2)C1 ZINC000526926571 517393374 /nfs/dbraw/zinc/39/33/74/517393374.db2.gz MTHOYNMOAMRLLH-MRXNPFEDSA-N 0 0 365.481 2.994 20 10 FFCDRN Cc1cc(NC(=O)C2=S=CC(S(C)(=O)=O)=C2)ccc1-c1ccncc1 ZINC000552875602 517423213 /nfs/dbraw/zinc/42/32/13/517423213.db2.gz CEJNLIRTWLOODG-UHFFFAOYSA-N 0 0 372.471 2.645 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@H](C)c1ccco1 ZINC000572395231 519593375 /nfs/dbraw/zinc/59/33/75/519593375.db2.gz GJHLRZXQSJJCHH-CQSZACIVSA-N 0 0 353.422 2.916 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)C(O)[C@@H](C)C3)ccc21 ZINC000618267733 520971923 /nfs/dbraw/zinc/97/19/23/520971923.db2.gz UWFVTRATUGIADM-KBPBESRZSA-N 0 0 358.482 2.993 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCc4nccnc4C3)ccc21 ZINC000620422471 522233017 /nfs/dbraw/zinc/23/30/17/522233017.db2.gz MZXWJIAZDHRMDQ-UHFFFAOYSA-N 0 0 364.449 2.893 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H]4CC[C@@H](O)[C@@H]43)ccc21 ZINC000629764388 522445488 /nfs/dbraw/zinc/44/54/88/522445488.db2.gz BCGFNAPIDMGOIE-CWFSZBLJSA-N 0 0 356.466 2.890 20 10 FFCDRN Cc1cc(C(=O)OCc2ccon2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822184337 599660327 /nfs/dbraw/zinc/66/03/27/599660327.db2.gz SCNJHFXSGSGBEV-UHFFFAOYSA-N 0 0 364.365 2.619 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCCC[C@@H]2C2OCCO2)c1O ZINC000740097686 600686296 /nfs/dbraw/zinc/68/62/96/600686296.db2.gz PXKWSTVPCLEJLF-QGZVFWFLSA-N 0 0 357.406 2.971 20 10 FFCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826369642 607517093 /nfs/dbraw/zinc/51/70/93/607517093.db2.gz KYRCKQIJKABSQR-UHFFFAOYSA-N 0 0 358.352 2.816 20 10 FFCDRN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1O ZINC000739780109 603397710 /nfs/dbraw/zinc/39/77/10/603397710.db2.gz MXWQCESGOSIMDZ-SJCJKPOMSA-N 0 0 372.421 2.810 20 10 FFCDRN C[C@H](CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl)NC(=O)[O-] ZINC000833805094 605847790 /nfs/dbraw/zinc/84/77/90/605847790.db2.gz MFFGUTIYLJUKFB-OLZOCXBDSA-N 0 0 355.866 2.873 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)s2)cc1F ZINC000821198414 606556598 /nfs/dbraw/zinc/55/65/98/606556598.db2.gz UGIKZVGQCDDZAV-UHFFFAOYSA-N 0 0 374.445 2.844 20 10 FFCDRN O[C@H](COc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826504791 607876883 /nfs/dbraw/zinc/87/68/83/607876883.db2.gz DKUBMPMCNTYDLT-GOSISDBHSA-N 0 0 351.410 2.579 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)[C@H](CO)SC)c2C)cc1 ZINC000152385780 728757272 /nfs/dbraw/zinc/75/72/72/728757272.db2.gz UAZXSLHZDLJFOT-ACJLOTCBSA-N 0 0 362.495 2.945 20 10 FFCDRN C[C@](O)(CNC(=O)NCCCSc1nccs1)c1ccccc1 ZINC000154560996 728807081 /nfs/dbraw/zinc/80/70/81/728807081.db2.gz MRIPTONODQQUEA-INIZCTEOSA-N 0 0 351.497 2.832 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@H](O)c1ccc(F)cc1 ZINC000154685281 728810131 /nfs/dbraw/zinc/81/01/31/728810131.db2.gz OOGILTIFEHAGNF-CYBMUJFWSA-N 0 0 355.460 2.797 20 10 FFCDRN Cc1c(F)cccc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000743254350 735285643 /nfs/dbraw/zinc/28/56/43/735285643.db2.gz MMNDOFHSOGFWJO-UHFFFAOYSA-N 0 0 350.415 2.772 20 10 FFCDRN COc1ccc(OCCCS(=O)(=O)Nc2ccc(O)cc2C)cc1 ZINC000743260093 735285900 /nfs/dbraw/zinc/28/59/00/735285900.db2.gz VFJOPYVINPIJHX-UHFFFAOYSA-N 0 0 351.424 2.920 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cnn(C)c1 ZINC000743554649 735305538 /nfs/dbraw/zinc/30/55/38/735305538.db2.gz JUYWCYJONGYQLY-AWEZNQCLSA-N 0 0 359.499 2.534 20 10 FFCDRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000743715829 735317149 /nfs/dbraw/zinc/31/71/49/735317149.db2.gz CNCMBFUXXQXQKD-JTQLQIEISA-N 0 0 364.389 2.717 20 10 FFCDRN COc1ccc2c(c1)CCCN2Cc1csc(CS(C)(=O)=O)n1 ZINC000744385009 735352481 /nfs/dbraw/zinc/35/24/81/735352481.db2.gz QZCWVNDZONXOSK-UHFFFAOYSA-N 0 0 352.481 2.649 20 10 FFCDRN Cc1ccc(CN2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c(O)c1 ZINC000898453935 735362282 /nfs/dbraw/zinc/36/22/82/735362282.db2.gz OBXGUSVYAFJXAD-HUUCEWRRSA-N 0 0 363.401 2.642 20 10 FFCDRN Cc1cc(C(=O)OCCCS(N)(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000744825167 735380160 /nfs/dbraw/zinc/38/01/60/735380160.db2.gz GGHLSXUVVKCAEW-UHFFFAOYSA-N 0 0 370.858 2.583 20 10 FFCDRN CCOC(=O)[C@H](F)[C@@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898558633 735382712 /nfs/dbraw/zinc/38/27/12/735382712.db2.gz ZTOTZZYXQRDYSI-RFAUZJTJSA-N 0 0 367.398 2.676 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CC[S@@](=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000746010003 735457946 /nfs/dbraw/zinc/45/79/46/735457946.db2.gz XAOYAAJDZORVDK-LFVRLGFBSA-N 0 0 350.871 2.998 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C\c2cn3ccnc3s2)SC1=S ZINC000899260969 735467441 /nfs/dbraw/zinc/46/74/41/735467441.db2.gz WFDREKWDKZOXCT-JXMROGBWSA-N 0 0 367.477 2.550 20 10 FFCDRN COC(=O)c1ccc(/C=C2\SC(=S)N(CCCSC)C2=O)nc1 ZINC000899260505 735467518 /nfs/dbraw/zinc/46/75/18/735467518.db2.gz IYFQIVGXPADLNG-WQLSENKSSA-N 0 0 368.505 2.823 20 10 FFCDRN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 ZINC000023398087 727845512 /nfs/dbraw/zinc/84/55/12/727845512.db2.gz FHEGTDDVCIWREZ-UHFFFAOYSA-N 0 0 360.844 2.512 20 10 FFCDRN Nc1ccc(NC(=O)COc2cccc(I)c2)cc1 ZINC000036904188 727932340 /nfs/dbraw/zinc/93/23/40/727932340.db2.gz ANFDJXOGMTYYFZ-UHFFFAOYSA-N 0 0 368.174 2.891 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000044325469 727985502 /nfs/dbraw/zinc/98/55/02/727985502.db2.gz DQUNWSUEIMYAMU-IYBDPMFKSA-N 0 0 353.532 2.797 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(NC(=S)NCc2ccccc2O)CC1 ZINC000899464116 735499036 /nfs/dbraw/zinc/49/90/36/735499036.db2.gz OYNMTWPBPRURCQ-UHFFFAOYSA-N 0 0 365.499 2.756 20 10 FFCDRN Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000065277677 728156404 /nfs/dbraw/zinc/15/64/04/728156404.db2.gz NQIRKSGRKXRQMM-INIZCTEOSA-N 0 0 360.479 2.871 20 10 FFCDRN CN(c1ccc(CNS(=O)(=O)c2cnn(C)c2)cc1)C1CCCCC1 ZINC000065793989 728162050 /nfs/dbraw/zinc/16/20/50/728162050.db2.gz MZPNKHHJFBUCFL-UHFFFAOYSA-N 0 0 362.499 2.668 20 10 FFCDRN Cn1cc(/C=C2/SC(N3CCCCC3)=NC2=O)c(-c2cccnc2)n1 ZINC000066406788 728170694 /nfs/dbraw/zinc/17/06/94/728170694.db2.gz DLKRFKDOWYJDSE-XNTDXEJSSA-N 0 0 353.451 2.938 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000070823737 728205830 /nfs/dbraw/zinc/20/58/30/728205830.db2.gz OMCGEWHLRUEOFV-UHFFFAOYSA-N 0 0 370.814 2.517 20 10 FFCDRN CC(=O)NCc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000075159655 728244194 /nfs/dbraw/zinc/24/41/94/728244194.db2.gz FBYSQEHZXJIMQB-UHFFFAOYSA-N 0 0 358.463 2.899 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCSCC1 ZINC000079517518 728313753 /nfs/dbraw/zinc/31/37/53/728313753.db2.gz FKMQSURDWMZLDH-UHFFFAOYSA-N 0 0 351.541 2.888 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc([S@](C)=O)cc2)cc1 ZINC000080199026 728323689 /nfs/dbraw/zinc/32/36/89/728323689.db2.gz AFGGQJRKGKPPJD-RUZDIDTESA-N 0 0 359.495 2.832 20 10 FFCDRN CCOCCNC(=O)CN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000084695784 728424792 /nfs/dbraw/zinc/42/47/92/728424792.db2.gz LBOVSPAUAZMGAC-UHFFFAOYSA-N 0 0 350.390 2.587 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCOC[C@H]1C1CC1 ZINC000089890482 728447362 /nfs/dbraw/zinc/44/73/62/728447362.db2.gz YMNMVDXVNAWVIC-SFHVURJKSA-N 0 0 361.511 2.560 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000092098510 728464976 /nfs/dbraw/zinc/46/49/76/728464976.db2.gz BYZHGIMNQMUJFE-UHFFFAOYSA-N 0 0 351.248 2.658 20 10 FFCDRN CC[N@H+](Cc1cccc(Br)c1[O-])[C@H](C)CS(=O)(=O)CC ZINC000093414063 728475954 /nfs/dbraw/zinc/47/59/54/728475954.db2.gz GTAPOPJHVRGWAL-LLVKDONJSA-N 0 0 364.305 2.800 20 10 FFCDRN O=S(=O)(CC1CCCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000101573135 728486829 /nfs/dbraw/zinc/48/68/29/728486829.db2.gz BVOSIEPRCZCHMT-UHFFFAOYSA-N 0 0 370.490 2.662 20 10 FFCDRN CCC[C@H](C)CS(=O)(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000113281306 728553922 /nfs/dbraw/zinc/55/39/22/728553922.db2.gz JJGUSCUOWKWZEU-INIZCTEOSA-N 0 0 354.516 2.973 20 10 FFCDRN COc1ccc(O)c(CNC(=O)COc2ccc(Br)cc2)c1 ZINC000114541260 728561254 /nfs/dbraw/zinc/56/12/54/728561254.db2.gz FCPDTABOBLXHTH-UHFFFAOYSA-N 0 0 366.211 2.859 20 10 FFCDRN CCCCC(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115279789 728564638 /nfs/dbraw/zinc/56/46/38/728564638.db2.gz VJYJKMLBMRRFPX-KRWDZBQOSA-N 0 0 363.527 2.769 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000115490567 728565684 /nfs/dbraw/zinc/56/56/84/728565684.db2.gz KHOLURSXSNWWHB-HNNXBMFYSA-N 0 0 360.483 2.538 20 10 FFCDRN c1csc(SCCCNc2ncnc3c2cnn3-c2ncccn2)n1 ZINC000119464980 728594817 /nfs/dbraw/zinc/59/48/17/728594817.db2.gz FFWDLHAQKAPFSE-UHFFFAOYSA-N 0 0 370.467 2.656 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)CC[C@@H]3CCCO3)cc2)CC1 ZINC000119961179 728603235 /nfs/dbraw/zinc/60/32/35/728603235.db2.gz WYZAXHDFJVCENM-IBGZPJMESA-N 0 0 366.527 2.911 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(Br)cc1 ZINC000122333215 728646450 /nfs/dbraw/zinc/64/64/50/728646450.db2.gz VEIQIERMYFEWMV-UHFFFAOYSA-N 0 0 363.211 2.752 20 10 FFCDRN O=C(C1CC[NH+](Cc2cccc(Br)c2[O-])CC1)N1CCCC1 ZINC000122490991 728648084 /nfs/dbraw/zinc/64/80/84/728648084.db2.gz PNVSRHBRNRVHDV-UHFFFAOYSA-N 0 0 367.287 2.989 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@@H]3CCCS3)CC2)cc1F ZINC000125147791 728679277 /nfs/dbraw/zinc/67/92/77/728679277.db2.gz FIDHTHHQJFHIJJ-AWEZNQCLSA-N 0 0 353.463 2.562 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc(Br)c(O)c2)c1 ZINC000133456603 728726982 /nfs/dbraw/zinc/72/69/82/728726982.db2.gz AQKMNQRYTXOQQK-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN Cc1cc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)ccc1O ZINC000136488511 728739593 /nfs/dbraw/zinc/73/95/93/728739593.db2.gz LCUIDKMGAOOHLB-UHFFFAOYSA-N 0 0 352.799 2.649 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(Br)nc2)c1O ZINC000166257024 728975866 /nfs/dbraw/zinc/97/58/66/728975866.db2.gz IAVBHSDWOWEHAK-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN CCCN(Cc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000177253238 729132989 /nfs/dbraw/zinc/13/29/89/729132989.db2.gz SKJMTKLTDGMQIW-AWEZNQCLSA-N 0 0 359.875 2.647 20 10 FFCDRN Cc1cc(C(F)(F)F)nn1CCNC(=O)NCc1c(O)cccc1F ZINC000924385153 738408301 /nfs/dbraw/zinc/40/83/01/738408301.db2.gz XZTJADCCXHITFM-UHFFFAOYSA-N 0 0 360.311 2.554 20 10 FFCDRN Cc1c(F)cccc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000177764215 729145782 /nfs/dbraw/zinc/14/57/82/729145782.db2.gz GHVCAKJGENUHSC-UHFFFAOYSA-N 0 0 353.444 2.828 20 10 FFCDRN Cc1nn(C)c(C)c1CCCNC(=O)NCCCSc1nccs1 ZINC000179593946 729189758 /nfs/dbraw/zinc/18/97/58/729189758.db2.gz DMUOWGFBUTUKQE-UHFFFAOYSA-N 0 0 367.544 2.908 20 10 FFCDRN Cc1cc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C)o1 ZINC000183051167 729294589 /nfs/dbraw/zinc/29/45/89/729294589.db2.gz OBIRYPDLEKTNEU-UHFFFAOYSA-N 0 0 364.467 2.554 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cn4ccnc4s3)CC2)cc1 ZINC000187968829 729382940 /nfs/dbraw/zinc/38/29/40/729382940.db2.gz UURRGOIVNQOJSM-UHFFFAOYSA-N 0 0 356.451 2.803 20 10 FFCDRN Cn1ccc2cccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)c21 ZINC000188130357 729384757 /nfs/dbraw/zinc/38/47/57/729384757.db2.gz LYCXOXRZZXFDGK-UHFFFAOYSA-N 0 0 359.407 2.508 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCCCOCC(F)(F)F)ccc21 ZINC000194668561 729517536 /nfs/dbraw/zinc/51/75/36/729517536.db2.gz PIBCTMFFWLOJNK-UHFFFAOYSA-N 0 0 359.392 2.837 20 10 FFCDRN COC(=O)c1cc(-c2csc(NC(=O)Cc3ccc(N)cc3)n2)c[nH]1 ZINC000237092993 729558399 /nfs/dbraw/zinc/55/83/99/729558399.db2.gz MAQWBPXGZXQZPV-UHFFFAOYSA-N 0 0 356.407 2.688 20 10 FFCDRN CCC1(CC)CN(Cc2cc(Cl)cc(OC)c2O)CCS1(=O)=O ZINC000779224416 738444592 /nfs/dbraw/zinc/44/45/92/738444592.db2.gz BMIGUWWGHKPEJF-UHFFFAOYSA-N 0 0 361.891 2.843 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1nc2c(s1)CCC2 ZINC000856208253 730316038 /nfs/dbraw/zinc/31/60/38/730316038.db2.gz BJRUPRBAGFGNIH-UHFFFAOYSA-N 0 0 357.479 2.523 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCC[C@H]3CC3(F)F)C2)cc1 ZINC000856865289 730362961 /nfs/dbraw/zinc/36/29/61/730362961.db2.gz QEXKAFMHSQUEME-KBPBESRZSA-N 0 0 353.413 2.866 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[C@H]1CC1(F)F ZINC000856884491 730364012 /nfs/dbraw/zinc/36/40/12/730364012.db2.gz BWMMKIOLYZCJRO-HNNXBMFYSA-N 0 0 353.413 2.710 20 10 FFCDRN Oc1cccc(Br)c1CNc1cccnc1N1CCOCC1 ZINC000858152802 730417960 /nfs/dbraw/zinc/41/79/60/730417960.db2.gz ABYOCCJAXWVNFE-UHFFFAOYSA-N 0 0 364.243 2.998 20 10 FFCDRN Brc1cc(CNCc2cn[nH]n2)ccc1N1CCCCC1 ZINC000858197389 730419459 /nfs/dbraw/zinc/41/94/59/730419459.db2.gz IOPYTXITLVJPEY-UHFFFAOYSA-N 0 0 350.264 2.847 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1COCCN1C)c1cc(Br)cc(Cl)c1[O-] ZINC000858523329 730428016 /nfs/dbraw/zinc/42/80/16/730428016.db2.gz PNJSGHWZMQYCJR-MWLCHTKSSA-N 0 0 363.683 2.789 20 10 FFCDRN C[C@H]([NH2+]CCN1CC[C@H](O)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000858602052 730429722 /nfs/dbraw/zinc/42/97/22/730429722.db2.gz PDLZMIIITTXOAC-ONGXEEELSA-N 0 0 363.683 2.525 20 10 FFCDRN COc1cc(OC)c(C(=O)NCCCSc2nccs2)cc1C=O ZINC000859352092 730451393 /nfs/dbraw/zinc/45/13/93/730451393.db2.gz MHBNVQBQGVBFMK-UHFFFAOYSA-N 0 0 366.464 2.885 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1ccns1 ZINC000925064852 738475968 /nfs/dbraw/zinc/47/59/68/738475968.db2.gz NBUVSPXINWHQTN-UHFFFAOYSA-N 0 0 351.815 2.509 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C1CCC2(COC2)CC1 ZINC000925105394 738478841 /nfs/dbraw/zinc/47/88/41/738478841.db2.gz ARIYORRVVODPQH-UHFFFAOYSA-N 0 0 364.829 2.769 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)cc1F ZINC000862243022 730680710 /nfs/dbraw/zinc/68/07/10/730680710.db2.gz ANTHCRGRUPCCBG-WBVHZDCISA-N 0 0 358.454 2.572 20 10 FFCDRN COC(=O)[C@H](C[C@H]1CCCOC1)NCc1cc(Br)ccc1O ZINC000862516423 730706060 /nfs/dbraw/zinc/70/60/60/730706060.db2.gz QYTMTUFHTKRIRT-RISCZKNCSA-N 0 0 372.259 2.603 20 10 FFCDRN CN(C)c1ccc(CNc2ccc(S(=O)(=O)NC3CC3)cc2)cc1F ZINC000863986163 730819478 /nfs/dbraw/zinc/81/94/78/730819478.db2.gz CERBOYYHRUBTNG-UHFFFAOYSA-N 0 0 363.458 2.945 20 10 FFCDRN CCOC(=O)c1cc(C[NH2+]Cc2cccc(Br)c2[O-])on1 ZINC000865764588 730994859 /nfs/dbraw/zinc/99/48/59/730994859.db2.gz GZVCDOKILHJQII-UHFFFAOYSA-N 0 0 355.188 2.609 20 10 FFCDRN COC(C)(C)c1nsc(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000865952958 731014817 /nfs/dbraw/zinc/01/48/17/731014817.db2.gz UWDHNABJAGILNJ-UHFFFAOYSA-N 0 0 362.499 2.993 20 10 FFCDRN C[C@@H](NC(=O)NC[C@H](C)CNC(=O)OC(C)(C)C)c1ccccc1O ZINC000868431013 731291483 /nfs/dbraw/zinc/29/14/83/731291483.db2.gz VSCCPGZUUOZEGF-QWHCGFSZSA-N 0 0 351.447 2.913 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC2(CSC2)C1 ZINC000868838382 731336948 /nfs/dbraw/zinc/33/69/48/731336948.db2.gz CBUIITWJBZVWRQ-UHFFFAOYSA-N 0 0 368.449 2.561 20 10 FFCDRN O=C(Cc1cccs1)N1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871201371 731605645 /nfs/dbraw/zinc/60/56/45/731605645.db2.gz UMVFKFVNRNQONX-INIZCTEOSA-N 0 0 356.447 2.530 20 10 FFCDRN O=C(NC[C@@H]1CCCCN1C(=O)C1=CC(=O)CS1)C1=CC(=O)CS1 ZINC000871468059 731636126 /nfs/dbraw/zinc/63/61/26/731636126.db2.gz JLMCCMYPADDPDR-JTQLQIEISA-N 0 0 366.464 2.646 20 10 FFCDRN COCC(C)(C)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000871903665 731698133 /nfs/dbraw/zinc/69/81/33/731698133.db2.gz DRGJTPAWAKYYDK-UHFFFAOYSA-N 0 0 354.834 2.873 20 10 FFCDRN CSC1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000875749114 732186273 /nfs/dbraw/zinc/18/62/73/732186273.db2.gz GUUNNWSZLBTHJP-UHFFFAOYSA-N 0 0 363.527 2.685 20 10 FFCDRN CC(C)n1ncc(C(=O)NCCc2ccc(N)cc2)c1Br ZINC000876528811 732254901 /nfs/dbraw/zinc/25/49/01/732254901.db2.gz ZXHUTWISGLZKRA-UHFFFAOYSA-N 0 0 351.248 2.781 20 10 FFCDRN [O-]c1c(C[NH2+]C[C@H](c2cccs2)N2CCOCC2)ccc(F)c1F ZINC000876889891 732292301 /nfs/dbraw/zinc/29/23/01/732292301.db2.gz QOIKWPPPAHXMKN-CQSZACIVSA-N 0 0 354.422 2.895 20 10 FFCDRN Cc1nnsc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000876946080 732301469 /nfs/dbraw/zinc/30/14/69/732301469.db2.gz NJXGYQQNJLKHQA-VXGBXAGGSA-N 0 0 350.463 2.889 20 10 FFCDRN COc1ccc(S(=O)(=O)N(C)C)cc1NCc1ccc(C)cc1O ZINC000877514290 732377488 /nfs/dbraw/zinc/37/74/88/732377488.db2.gz MFNKOIGCUGVPJP-UHFFFAOYSA-N 0 0 350.440 2.572 20 10 FFCDRN COc1ncc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000877582104 732392983 /nfs/dbraw/zinc/39/29/83/732392983.db2.gz IMZPBBXBRLFDRO-UHFFFAOYSA-N 0 0 355.410 2.556 20 10 FFCDRN CCOC(=O)[C@@]1(C[NH2+]Cc2cccc(Br)c2[O-])CCCOC1 ZINC000877698997 732416180 /nfs/dbraw/zinc/41/61/80/732416180.db2.gz UFTVXHQTZXNDDX-MRXNPFEDSA-N 0 0 372.259 2.604 20 10 FFCDRN CCOC(=O)[C@H](C)C1CN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000877829363 732443433 /nfs/dbraw/zinc/44/34/33/732443433.db2.gz ROJIELSAXXWLLQ-SNVBAGLBSA-N 0 0 372.259 2.794 20 10 FFCDRN O=C1N[C@H](c2cc(Br)ccc2O)N2Cc3ccccc3C[C@@H]12 ZINC000877866070 732446312 /nfs/dbraw/zinc/44/63/12/732446312.db2.gz DHDFHOGBNMVKAN-HOCLYGCPSA-N 0 0 359.223 2.710 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C[C@H]3CCNC3=O)cc2Cl)C1 ZINC000879873072 732792952 /nfs/dbraw/zinc/79/29/52/732792952.db2.gz RWVWJCXBNYMDJQ-DZGCQCFKSA-N 0 0 363.889 2.719 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3CCNC3=O)cc2Cl)C1 ZINC000879873073 732792961 /nfs/dbraw/zinc/79/29/61/732792961.db2.gz RWVWJCXBNYMDJQ-HIFRSBDPSA-N 0 0 363.889 2.719 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccn(CCF)n1 ZINC000880769570 732959212 /nfs/dbraw/zinc/95/92/12/732959212.db2.gz VCSURUFUDHPHOV-UHFFFAOYSA-N 0 0 363.462 2.728 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCC[C@@H]2C(=O)NC2CC2)c1 ZINC000781896704 738668873 /nfs/dbraw/zinc/66/88/73/738668873.db2.gz MLBMIVDSNXGXDJ-CQSZACIVSA-N 0 0 353.260 2.706 20 10 FFCDRN COc1cccc(CNC(=O)Cc2ccc(Br)cc2O)c1O ZINC000781919858 738672843 /nfs/dbraw/zinc/67/28/43/738672843.db2.gz CUCXLKLLMBZCGH-UHFFFAOYSA-N 0 0 366.211 2.728 20 10 FFCDRN C[C@]1(CS(=O)(=O)NCc2cc(Br)ccc2O)CC1(F)F ZINC000882194738 733187049 /nfs/dbraw/zinc/18/70/49/733187049.db2.gz MHLXEUYRPRNQGB-LLVKDONJSA-N 0 0 370.215 2.619 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@@H](S(=O)(=O)Nc2ccccc2)C1 ZINC000782129527 738691153 /nfs/dbraw/zinc/69/11/53/738691153.db2.gz WWDRFZWMEBAPCL-CQSZACIVSA-N 0 0 366.464 2.500 20 10 FFCDRN CC(C)(C)[C@@H](O)C[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883113651 733336403 /nfs/dbraw/zinc/33/64/03/733336403.db2.gz ZKCCNAPMPXXPMI-AAEUAGOBSA-N 0 0 364.255 2.541 20 10 FFCDRN Cc1ccc(S(N)(=O)=O)cc1NCc1cc(F)c(N(C)C)cc1F ZINC000883159613 733344227 /nfs/dbraw/zinc/34/42/27/733344227.db2.gz QNDBJWSMWKCWTA-UHFFFAOYSA-N 0 0 355.410 2.599 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)c1[O-] ZINC000883366715 733374388 /nfs/dbraw/zinc/37/43/88/733374388.db2.gz YQJPFJVKXOIYEI-MRVPVSSYSA-N 0 0 364.654 2.602 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(F)c2C)c1 ZINC000782978530 738770154 /nfs/dbraw/zinc/77/01/54/738770154.db2.gz BCYWFVJJIGFERR-NSHDSACASA-N 0 0 369.414 2.896 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@H]1C[C@H]1CCOC1 ZINC000887818236 733979966 /nfs/dbraw/zinc/97/99/66/733979966.db2.gz BCPSSHQPGFSSHJ-DGCLKSJQSA-N 0 0 363.435 2.580 20 10 FFCDRN CCNC(=O)c1cc(NC(=O)NCc2cccc(OC)c2O)c(C)s1 ZINC000889393422 734170574 /nfs/dbraw/zinc/17/05/74/734170574.db2.gz PIIQKAKDIHYGLW-UHFFFAOYSA-N 0 0 363.439 2.842 20 10 FFCDRN CC[C@@H]1c2ccccc2CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000890612202 734323728 /nfs/dbraw/zinc/32/37/28/734323728.db2.gz JMEMDEGTULSVIV-MRXNPFEDSA-N 0 0 360.435 2.871 20 10 FFCDRN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890758063 734336351 /nfs/dbraw/zinc/33/63/51/734336351.db2.gz QQHGEBORSSBRBJ-GFCCVEGCSA-N 0 0 356.875 2.609 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1c(Br)nc2n1CCC2 ZINC000890761140 734337177 /nfs/dbraw/zinc/33/71/77/734337177.db2.gz LYHDWRPURXJCMN-UHFFFAOYSA-N 0 0 370.634 2.881 20 10 FFCDRN COCC[C@H](COC)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708124648 734362606 /nfs/dbraw/zinc/36/26/06/734362606.db2.gz IKZNAYZHFUKLIU-LLVKDONJSA-N 0 0 352.656 2.949 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CSCC(=O)OC2CCCCC2)cc1 ZINC000783486337 738808486 /nfs/dbraw/zinc/80/84/86/738808486.db2.gz FLBCOHDPRZUSJA-UHFFFAOYSA-N 0 0 364.511 2.978 20 10 FFCDRN C[C@@H](NC(=O)NCCc1nccs1)c1ccc(N2CCOCC2)cc1 ZINC000726245399 734415611 /nfs/dbraw/zinc/41/56/11/734415611.db2.gz JKSNVMXQLSVSRZ-CQSZACIVSA-N 0 0 360.483 2.583 20 10 FFCDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c(O)c1O ZINC000727005255 734459406 /nfs/dbraw/zinc/45/94/06/734459406.db2.gz MBCBLXULMRHUPF-SECBINFHSA-N 0 0 351.305 2.868 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)N(C)[C@@H](C)C2CC2)cc1 ZINC000727443772 734482590 /nfs/dbraw/zinc/48/25/90/734482590.db2.gz OCFKIEAXEZWSEE-HNNXBMFYSA-N 0 0 353.532 2.940 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccccc2S(C)(=O)=O)c1 ZINC000729033526 734555746 /nfs/dbraw/zinc/55/57/46/734555746.db2.gz NFAUBWGGOCKRBN-NSHDSACASA-N 0 0 364.423 2.687 20 10 FFCDRN O=C(NCc1ccccc1O)c1ccc(OCC(F)(F)C(F)F)nc1 ZINC000729529917 734582908 /nfs/dbraw/zinc/58/29/08/734582908.db2.gz NMALGURRMAHGTI-UHFFFAOYSA-N 0 0 358.291 2.996 20 10 FFCDRN CCC[C@@]1(C)C(=O)NCCN1Cc1cc(C)cc(Br)c1O ZINC000783740756 738831455 /nfs/dbraw/zinc/83/14/55/738831455.db2.gz MJWHMSXGDPFCER-INIZCTEOSA-N 0 0 355.276 2.954 20 10 FFCDRN COc1cc(N(C)[C@@H]2CCC3(C[C@H]2F)OCCO3)cc(OC)c1OC ZINC000893462749 734704692 /nfs/dbraw/zinc/70/46/92/734704692.db2.gz UJGUSFXWVCEOOH-ZIAGYGMSSA-N 0 0 355.406 2.782 20 10 FFCDRN C[C@H](OC(=O)C1=CC(=O)CS1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000731911566 734704926 /nfs/dbraw/zinc/70/49/26/734704926.db2.gz LZBVHPZSZXXIGV-ZETCQYMHSA-N 0 0 354.315 2.685 20 10 FFCDRN CC(C)c1nn(C)c(Cl)c1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783858012 738842375 /nfs/dbraw/zinc/84/23/75/738842375.db2.gz FZZBAOATMYDPAK-UHFFFAOYSA-N 0 0 352.774 2.648 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000893752041 734746676 /nfs/dbraw/zinc/74/66/76/734746676.db2.gz IYVWKDUZOGPYPC-MLGOLLRUSA-N 0 0 356.875 2.900 20 10 FFCDRN Cc1nc(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000733126827 734791963 /nfs/dbraw/zinc/79/19/63/734791963.db2.gz YSRPKAPXUNIKLR-UHFFFAOYSA-N 0 0 359.495 2.879 20 10 FFCDRN Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCSc1nccs1 ZINC000733900336 734857831 /nfs/dbraw/zinc/85/78/31/734857831.db2.gz XIQBSQPLGKDQAW-UHFFFAOYSA-N 0 0 373.481 2.820 20 10 FFCDRN Cn1cc(C(=O)NCCCSc2nccs2)c(-c2ccncc2)n1 ZINC000733973864 734864992 /nfs/dbraw/zinc/86/49/92/734864992.db2.gz CUQFQIQJVSLUOB-UHFFFAOYSA-N 0 0 359.480 2.851 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc(OC(F)F)c(OC)c2)c1 ZINC000734016808 734867910 /nfs/dbraw/zinc/86/79/10/734867910.db2.gz ISIIYQSMCHPZDX-UHFFFAOYSA-N 0 0 353.321 2.941 20 10 FFCDRN C[C@H](CNC(=O)NCc1cccc(Cl)c1O)NC(=O)OC(C)(C)C ZINC000894521696 734874002 /nfs/dbraw/zinc/87/40/02/734874002.db2.gz ZVYBXGGXMZMOAH-SNVBAGLBSA-N 0 0 357.838 2.758 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)c3ccc(Cl)o3)cc2)CC1 ZINC000894596219 734884465 /nfs/dbraw/zinc/88/44/65/734884465.db2.gz NQVYNKLNWVHRKQ-UHFFFAOYSA-N 0 0 361.829 2.565 20 10 FFCDRN Cc1n[nH]c(C(=O)NCc2ccc(N(C)C)cc2C)c1Br ZINC000734466936 734897830 /nfs/dbraw/zinc/89/78/30/734897830.db2.gz GVWLQGLQUAARDB-UHFFFAOYSA-N 0 0 351.248 2.785 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1nnc(-c2ccccc2)s1 ZINC000734513748 734901377 /nfs/dbraw/zinc/90/13/77/734901377.db2.gz QQFBAKNSCZFSPM-UHFFFAOYSA-N 0 0 356.407 2.981 20 10 FFCDRN CN1C(=O)C[C@@H](C(=O)NCc2ccccc2O)[C@H]1c1cccc(Cl)c1 ZINC000734547106 734902410 /nfs/dbraw/zinc/90/24/10/734902410.db2.gz BLTANAYVHTYTLH-CRAIPNDOSA-N 0 0 358.825 2.881 20 10 FFCDRN C[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CO1 ZINC000784122996 738863229 /nfs/dbraw/zinc/86/32/29/738863229.db2.gz RUQBNWCORCKBKM-MCIONIFRSA-N 0 0 354.397 2.798 20 10 FFCDRN CCN(CC)c1ccc(CN2CC[S@](=O)C[C@@H]2c2cnn(C)c2)cc1 ZINC000895375241 734997147 /nfs/dbraw/zinc/99/71/47/734997147.db2.gz RBGOIQIGZDVTTQ-CLOONOSVSA-N 0 0 360.527 2.572 20 10 FFCDRN Cc1cc(CC(=O)N[C@H]2CCN(C)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000737728512 735014154 /nfs/dbraw/zinc/01/41/54/735014154.db2.gz MLFYGKOEZKHKOV-KRWDZBQOSA-N 0 0 359.857 2.637 20 10 FFCDRN CC(C)(C)C(=O)N1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895647593 735036240 /nfs/dbraw/zinc/03/62/40/735036240.db2.gz VKIWDYPUWMHSPR-UHFFFAOYSA-N 0 0 362.451 2.643 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC3C[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000895649927 735036275 /nfs/dbraw/zinc/03/62/75/735036275.db2.gz FXSWSJJWMUWTBO-HILARFPUSA-N 0 0 361.511 3.000 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@H+]1CC[C@@](CO)(C(F)(F)F)C1 ZINC000895847370 735063798 /nfs/dbraw/zinc/06/37/98/735063798.db2.gz URIZJTWGBGBRDV-GFCCVEGCSA-N 0 0 354.166 2.901 20 10 FFCDRN CCCNC(=O)[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896004086 735087157 /nfs/dbraw/zinc/08/71/57/735087157.db2.gz ZKWCICRAYTWJGS-NSHDSACASA-N 0 0 362.451 2.691 20 10 FFCDRN CN(Cc1ccc(S(C)(=O)=O)cc1)Cc1c(O)ccc2ccncc21 ZINC000740862989 735092505 /nfs/dbraw/zinc/09/25/05/735092505.db2.gz JSEIBEPTZVDJBX-UHFFFAOYSA-N 0 0 356.447 2.976 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(N2CCCC2=O)CC1 ZINC000896188224 735115606 /nfs/dbraw/zinc/11/56/06/735115606.db2.gz ZJCZNYYBUHSUMY-UHFFFAOYSA-N 0 0 360.435 2.540 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000896821540 735184830 /nfs/dbraw/zinc/18/48/30/735184830.db2.gz FKBZGNPDPGWRJA-JQWIXIFHSA-N 0 0 364.320 2.899 20 10 FFCDRN CC1(C2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)CC2)OCCO1 ZINC000896936634 735188742 /nfs/dbraw/zinc/18/87/42/735188742.db2.gz WXKURBSYIGSGEV-UHFFFAOYSA-N 0 0 363.435 2.928 20 10 FFCDRN Cc1nn(C)c(C)c1S(=O)(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742654429 735247548 /nfs/dbraw/zinc/24/75/48/735247548.db2.gz AEXILESTUISLQF-UHFFFAOYSA-N 0 0 362.499 2.506 20 10 FFCDRN O=C(NCCCO[C@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000897622967 735256170 /nfs/dbraw/zinc/25/61/70/735256170.db2.gz GBEGPOQMWAZOIR-INIZCTEOSA-N 0 0 351.424 2.976 20 10 FFCDRN CC1(C)CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@]2(CCOC2)O1 ZINC000897628458 735256945 /nfs/dbraw/zinc/25/69/45/735256945.db2.gz DBWUXSIONCRCIB-SFHVURJKSA-N 0 0 363.435 2.723 20 10 FFCDRN CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897769778 735275523 /nfs/dbraw/zinc/27/55/23/735275523.db2.gz FJUFFFWCPGUBLU-LBPRGKRZSA-N 0 0 362.451 2.691 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1cscc1Cl ZINC000897791822 735277527 /nfs/dbraw/zinc/27/75/27/735277527.db2.gz XPZUZBRYDGFONQ-UHFFFAOYSA-N 0 0 365.886 2.709 20 10 FFCDRN CC(C)c1nc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c[nH]1 ZINC000747250940 735549254 /nfs/dbraw/zinc/54/92/54/735549254.db2.gz PMNNXSKFIZPLEW-UHFFFAOYSA-N 0 0 362.499 2.952 20 10 FFCDRN COc1cc(C)[nH]c(=NNC(=S)Nc2cccc(Br)c2)n1 ZINC000747655376 735578769 /nfs/dbraw/zinc/57/87/69/735578769.db2.gz XFRQSFPXZXZINQ-UHFFFAOYSA-N 0 0 368.260 2.870 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000748481834 735649428 /nfs/dbraw/zinc/64/94/28/735649428.db2.gz OQKJUEIYWDKAKX-UHFFFAOYSA-N 0 0 370.739 2.902 20 10 FFCDRN Cc1ccc(-c2nc(/C=C3\SC(N4CCOCC4)=NC3=O)co2)cc1 ZINC000749890949 735758305 /nfs/dbraw/zinc/75/83/05/735758305.db2.gz DZZONSNBGKTSIM-GDNBJRDFSA-N 0 0 355.419 2.953 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC(F)(F)C(F)F ZINC000901327849 735767527 /nfs/dbraw/zinc/76/75/27/735767527.db2.gz WHEQRZNZSFTXEV-UHFFFAOYSA-N 0 0 371.714 2.838 20 10 FFCDRN CCCc1ccccc1S(=O)(=O)Nc1ccc(NS(C)(=O)=O)cc1 ZINC000901595236 735800717 /nfs/dbraw/zinc/80/07/17/735800717.db2.gz LPGAQQXYZGKEAP-UHFFFAOYSA-N 0 0 368.480 2.811 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CSCCNC(=O)OC(C)(C)C)cc1 ZINC000901611324 735803875 /nfs/dbraw/zinc/80/38/75/735803875.db2.gz LOFFVPPRRWICKD-UHFFFAOYSA-N 0 0 367.515 2.627 20 10 FFCDRN COCc1cccc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000751326894 735864037 /nfs/dbraw/zinc/86/40/37/735864037.db2.gz UZRDSILOZNXZHO-GFCCVEGCSA-N 0 0 351.424 2.587 20 10 FFCDRN Cc1noc(Cl)c1CC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000751371246 735867190 /nfs/dbraw/zinc/86/71/90/735867190.db2.gz YCOOLYOFHKJQLR-LBPRGKRZSA-N 0 0 363.845 2.893 20 10 FFCDRN C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270269 739226187 /nfs/dbraw/zinc/22/61/87/739226187.db2.gz QTAHOWZKDSDAGT-OIBJUYFYSA-N 0 0 365.065 2.872 20 10 FFCDRN Cc1ccc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c(O)c1O ZINC000751533148 735891342 /nfs/dbraw/zinc/89/13/42/735891342.db2.gz KVWMCCRZMHZXIE-UHFFFAOYSA-N 0 0 363.797 2.803 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1nnc(-c2ccns2)o1 ZINC000902799684 735993408 /nfs/dbraw/zinc/99/34/08/735993408.db2.gz NEUFRPUNSVCYQF-UHFFFAOYSA-N 0 0 355.423 2.723 20 10 FFCDRN CC(C)N(C)C(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000784670974 738911514 /nfs/dbraw/zinc/91/15/14/738911514.db2.gz HOVFQBOYHARDIJ-GFCCVEGCSA-N 0 0 361.467 2.728 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC2(COC(=O)N2)CC1 ZINC000753169084 736042802 /nfs/dbraw/zinc/04/28/02/736042802.db2.gz BWRDQZLAEDPGPK-UHFFFAOYSA-N 0 0 359.451 2.870 20 10 FFCDRN CC(C)CC(C)(C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000753295700 736052821 /nfs/dbraw/zinc/05/28/21/736052821.db2.gz SXEDSGJHJVGPFL-UHFFFAOYSA-N 0 0 366.527 2.610 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000903424523 736091688 /nfs/dbraw/zinc/09/16/88/736091688.db2.gz XHPHIKRSFKLOPK-LBPRGKRZSA-N 0 0 352.431 2.778 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(F)cc(F)c1[O-] ZINC000903433771 736093726 /nfs/dbraw/zinc/09/37/26/736093726.db2.gz FBERZJAYGCZPIB-WPRPVWTQSA-N 0 0 370.787 2.749 20 10 FFCDRN C[C@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOC1 ZINC000754320493 736147126 /nfs/dbraw/zinc/14/71/26/736147126.db2.gz PFBFHAPZDQBOHY-ACJLOTCBSA-N 0 0 354.397 2.800 20 10 FFCDRN O=C(NC1CCC(NC(=O)C2=CC(=O)CS2)CC1)C1=CC(=O)CS1 ZINC000754484923 736164705 /nfs/dbraw/zinc/16/47/05/736164705.db2.gz WVBOXDHYHSTYBV-UHFFFAOYSA-N 0 0 366.464 2.692 20 10 FFCDRN Cc1cc(C)c(O)c(CN2CCc3ccc(S(=O)(=O)N(C)C)cc32)c1 ZINC000754766110 736195444 /nfs/dbraw/zinc/19/54/44/736195444.db2.gz RRQLZFDLSJBBLU-UHFFFAOYSA-N 0 0 360.479 2.822 20 10 FFCDRN O=Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cs1 ZINC000755005915 736226153 /nfs/dbraw/zinc/22/61/53/736226153.db2.gz LVJCPSJEZJRAKK-UHFFFAOYSA-N 0 0 358.463 2.699 20 10 FFCDRN COCCOCCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756360703 736325010 /nfs/dbraw/zinc/32/50/10/736325010.db2.gz VJQJSLSXDSQZRP-SNVBAGLBSA-N 0 0 350.228 2.998 20 10 FFCDRN CNS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756446514 736331709 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20 10 FFCDRN CCOC(=O)c1sc([C@@H](C)NC(=O)NCc2ccccc2O)nc1C ZINC000756979240 736379985 /nfs/dbraw/zinc/37/99/85/736379985.db2.gz VZUZAEFGIGJJCR-LLVKDONJSA-N 0 0 363.439 2.894 20 10 FFCDRN C[C@@H]([NH2+]CCCOCCO)c1cc(Br)cc(Cl)c1[O-] ZINC000757636205 736414452 /nfs/dbraw/zinc/41/44/52/736414452.db2.gz CJXIWYKOXZQVSD-SECBINFHSA-N 0 0 352.656 2.858 20 10 FFCDRN CN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cccc(O)c1O ZINC000758559099 736501497 /nfs/dbraw/zinc/50/14/97/736501497.db2.gz PWUNJXYCIRBWQH-UHFFFAOYSA-N 0 0 355.799 2.628 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N[C@@H](CO)CC(F)F)cc2)CC1 ZINC000758679757 736513440 /nfs/dbraw/zinc/51/34/40/736513440.db2.gz NTDXKPXIRKATAN-OAHLLOKOSA-N 0 0 355.429 2.738 20 10 FFCDRN CC(C)N(Cc1nnnn1CC(F)(F)F)Cc1ccc(N(C)C)cc1 ZINC000759340975 736563514 /nfs/dbraw/zinc/56/35/14/736563514.db2.gz GVTDTNRUDPXVGS-UHFFFAOYSA-N 0 0 356.396 2.712 20 10 FFCDRN CCOC(=O)[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000759602280 736580093 /nfs/dbraw/zinc/58/00/93/736580093.db2.gz SPWHXQGKRPYGJO-GFCCVEGCSA-N 0 0 357.501 2.610 20 10 FFCDRN O=C1CCC(S(=O)(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000907187060 736594824 /nfs/dbraw/zinc/59/48/24/736594824.db2.gz LOZJLGOOQJFLCT-UHFFFAOYSA-N 0 0 352.239 2.630 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)c1c([N+](=O)[O-])ncn1C ZINC000760250481 736624901 /nfs/dbraw/zinc/62/49/01/736624901.db2.gz NTAJQFAOONGPAB-UHFFFAOYSA-N 0 0 355.192 2.823 20 10 FFCDRN CCC(CC)(CC)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000760410498 736637133 /nfs/dbraw/zinc/63/71/33/736637133.db2.gz YQHYFMAJMPYQLK-UHFFFAOYSA-N 0 0 366.527 2.754 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCn3c(nnc3C(F)F)C2)c1O ZINC000761106457 736696895 /nfs/dbraw/zinc/69/68/95/736696895.db2.gz VWTOZBAIEYIKKS-UHFFFAOYSA-N 0 0 356.760 2.793 20 10 FFCDRN Cc1cc(Br)ncc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000761653901 736751411 /nfs/dbraw/zinc/75/14/11/736751411.db2.gz ABSPJXDJIGSQGR-UHFFFAOYSA-N 0 0 366.215 2.928 20 10 FFCDRN COc1ccc(CCS(=O)(=O)NCc2cccc(Cl)c2O)cc1 ZINC000908326716 736758359 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ZINC000765757605 737154743 /nfs/dbraw/zinc/15/47/43/737154743.db2.gz RSQKTVLULQJFJT-UHFFFAOYSA-N 0 0 352.232 2.791 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC[C@H](C)[S@@](C)=O)cc1 ZINC000765982786 737180500 /nfs/dbraw/zinc/18/05/00/737180500.db2.gz WRLBZJDFNXLUAS-IZHWHUGBSA-N 0 0 353.532 2.831 20 10 FFCDRN O=C([O-])CCCCC(=O)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911368484 737195523 /nfs/dbraw/zinc/19/55/23/737195523.db2.gz BVARMQLKGSESOU-HNNXBMFYSA-N 0 0 368.861 2.771 20 10 FFCDRN COc1ccc2c(c1)CCCN2Cn1cc(Br)c([N+](=O)[O-])n1 ZINC000766341267 737220873 /nfs/dbraw/zinc/22/08/73/737220873.db2.gz POTIYEZYSFOAGV-UHFFFAOYSA-N 0 0 367.203 2.973 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CNCC(F)(F)F)cc1 ZINC000912107428 737265916 /nfs/dbraw/zinc/26/59/16/737265916.db2.gz SWHQJHNPSPWJQG-UHFFFAOYSA-N 0 0 371.325 2.795 20 10 FFCDRN CCOC(=O)C[C@H](C)CNC(=O)NCc1cc(Br)ccc1O ZINC000805240055 740952265 /nfs/dbraw/zinc/95/22/65/740952265.db2.gz WHIFHTJWWIHLIT-JTQLQIEISA-N 0 0 373.247 2.543 20 10 FFCDRN Cc1cc(CNC(=O)[C@@]2(C)CCCS2(=O)=O)c(C)n1-c1ccccc1 ZINC000913167632 737384123 /nfs/dbraw/zinc/38/41/23/737384123.db2.gz ZIDDHSBFXRWWFP-LJQANCHMSA-N 0 0 360.479 2.678 20 10 FFCDRN COc1ccc(N2CCN(Cn3ccc(Br)n3)CC2)cc1F ZINC000767979387 737388809 /nfs/dbraw/zinc/38/88/09/737388809.db2.gz IJGJZNUZJNRDRV-UHFFFAOYSA-N 0 0 369.238 2.573 20 10 FFCDRN Cc1nc(-c2ccn(C)n2)sc1CC(=O)N[C@H](C)c1ccccc1O ZINC000913763840 737444270 /nfs/dbraw/zinc/44/42/70/737444270.db2.gz SSCIMNGMFUSHSE-LLVKDONJSA-N 0 0 356.451 2.978 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccc(Br)c(OC(F)(F)F)c1 ZINC000808547052 741234474 /nfs/dbraw/zinc/23/44/74/741234474.db2.gz FHNPSWBLQPDUOB-UHFFFAOYSA-N 0 0 369.089 2.663 20 10 FFCDRN C[S@](=O)CCN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769481534 737533646 /nfs/dbraw/zinc/53/36/46/737533646.db2.gz VQYJTGPMEJNDBU-VWLOTQADSA-N 0 0 358.507 2.555 20 10 FFCDRN O=S(=O)(CCC1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000809818172 741347518 /nfs/dbraw/zinc/34/75/18/741347518.db2.gz CJMUHASPIZSXDM-KRWDZBQOSA-N 0 0 353.484 2.893 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3csc(=O)[nH]3)cc2F)C[C@H](C)O1 ZINC000769687603 737553788 /nfs/dbraw/zinc/55/37/88/737553788.db2.gz FKXPWQMBZMMKKA-PHIMTYICSA-N 0 0 365.430 2.531 20 10 FFCDRN Cc1nc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)sc1C ZINC000770244761 737609052 /nfs/dbraw/zinc/60/90/52/737609052.db2.gz HLIIRKSEFVQDBL-UHFFFAOYSA-N 0 0 359.495 2.899 20 10 FFCDRN O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(Br)c2[O-])CN1 ZINC000770379989 737620687 /nfs/dbraw/zinc/62/06/87/737620687.db2.gz MHCXGVKSMZFAOL-GXTWGEPZSA-N 0 0 353.260 2.645 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cccnc1I ZINC000770551532 737638181 /nfs/dbraw/zinc/63/81/81/737638181.db2.gz CLKSVEXHLXGCEG-UHFFFAOYSA-N 0 0 368.174 2.664 20 10 FFCDRN COc1cc(C(=O)NCCc2ccc(O)c(O)c2)ccc1OC(F)F ZINC000917356520 737754043 /nfs/dbraw/zinc/75/40/43/737754043.db2.gz XPHMGFXTVVGFFH-UHFFFAOYSA-N 0 0 353.321 2.680 20 10 FFCDRN C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000773013303 737863442 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O=C(NCCCSc1nccs1)NC[C@H]1COC2(CCCC2)O1 ZINC000774240103 737972471 /nfs/dbraw/zinc/97/24/71/737972471.db2.gz IUTMSZMZUMHKDD-LBPRGKRZSA-N 0 0 357.501 2.610 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000921447792 737985884 /nfs/dbraw/zinc/98/58/84/737985884.db2.gz SOPFQYTUQQQDQL-ZJUUUORDSA-N 0 0 369.434 2.892 20 10 FFCDRN C[C@H](NCc1nc(Br)c[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000921590112 738009881 /nfs/dbraw/zinc/00/98/81/738009881.db2.gz BARKZLPZCJDZQY-LBPRGKRZSA-N 0 0 365.275 2.860 20 10 FFCDRN Cc1cc(CC(=O)OC[C@H]2CCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000774723805 738018871 /nfs/dbraw/zinc/01/88/71/738018871.db2.gz WIQNNNOBQRRGFA-CQSZACIVSA-N 0 0 360.841 2.969 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](C)CN2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974122 738046906 /nfs/dbraw/zinc/04/69/06/738046906.db2.gz JCZJDKRUMBNBJC-MELADBBJSA-N 0 0 351.447 2.765 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@]2(N(C)C)CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774979309 738047496 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CCN(C(=O)/C=C/c1cnc(OC)nc1)c1ccc(Br)cn1 ZINC000776314919 738181647 /nfs/dbraw/zinc/18/16/47/738181647.db2.gz VWOFJBNMVNHNFC-QPJJXVBHSA-N 0 0 363.215 2.709 20 10 FFCDRN COc1ccc(OCCS(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000776749131 738229547 /nfs/dbraw/zinc/22/95/47/738229547.db2.gz ZYIJIYIQJVATOZ-UHFFFAOYSA-N 0 0 357.815 2.875 20 10 FFCDRN COc1nc(C)ccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000777310972 738277285 /nfs/dbraw/zinc/27/72/85/738277285.db2.gz VMINOOYFKLCOBD-UHFFFAOYSA-N 0 0 357.479 2.882 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CC[C@H](C2CC2)O1 ZINC000929004736 738929886 /nfs/dbraw/zinc/92/98/86/738929886.db2.gz YAPGOHIDTBYTEU-GOEBONIOSA-N 0 0 364.829 2.767 20 10 FFCDRN CSc1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000785292912 738952199 /nfs/dbraw/zinc/95/21/99/738952199.db2.gz CDRATSMHGVPAFI-LLVKDONJSA-N 0 0 360.435 2.506 20 10 FFCDRN COCCCn1cc(C)c(NC(=O)NCc2cccc(Cl)c2O)n1 ZINC000931599711 739295702 /nfs/dbraw/zinc/29/57/02/739295702.db2.gz OICQYKZPEMKRMC-UHFFFAOYSA-N 0 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COc1ccc(CNC(=O)NCCc2cc(F)c(F)c(F)c2)c(O)c1 ZINC000793042421 739733981 /nfs/dbraw/zinc/73/39/81/739733981.db2.gz NSLGYVSHXMSSLS-UHFFFAOYSA-N 0 0 354.328 2.860 20 10 FFCDRN CCC[C@](C)(CC)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000793122380 739741651 /nfs/dbraw/zinc/74/16/51/739741651.db2.gz GEPQMBGDSFLDRS-IBGZPJMESA-N 0 0 366.527 2.754 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)c(F)cc1C ZINC000793429302 739780696 /nfs/dbraw/zinc/78/06/96/739780696.db2.gz OZGUPPJKWFDCOR-UHFFFAOYSA-N 0 0 367.398 2.990 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCOC[C@@H]2CC2CCOCC2)c1O ZINC000934641528 739817686 /nfs/dbraw/zinc/81/76/86/739817686.db2.gz NNRABLODYLCKPX-KRWDZBQOSA-N 0 0 351.418 2.751 20 10 FFCDRN COc1ccc(CNC(=O)c2cccc(OC)c2OC(F)F)c(O)c1 ZINC000794376029 739884737 /nfs/dbraw/zinc/88/47/37/739884737.db2.gz AUYIXXRUNGPKCX-UHFFFAOYSA-N 0 0 353.321 2.941 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H]2CCCCC23CCCC3)c1 ZINC000794659560 739916564 /nfs/dbraw/zinc/91/65/64/739916564.db2.gz 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COC(=O)c1cccc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804738004 740901385 /nfs/dbraw/zinc/90/13/85/740901385.db2.gz YPZPMESMYIVBBH-UHFFFAOYSA-N 0 0 364.195 2.871 20 10 FFCDRN O=C(Cc1c[nH]c2ncccc12)NCc1cc(Br)ccc1O ZINC000804737575 740901509 /nfs/dbraw/zinc/90/15/09/740901509.db2.gz TTWGLEDLULJHDN-UHFFFAOYSA-N 0 0 360.211 2.890 20 10 FFCDRN O=C1CSc2ncnc(NCc3cc(Br)ccc3O)c2N1 ZINC000804828537 740908234 /nfs/dbraw/zinc/90/82/34/740908234.db2.gz YYSSFLDOUHKADT-UHFFFAOYSA-N 0 0 367.228 2.601 20 10 FFCDRN CC[C@@H](CSC)NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000804852318 740910521 /nfs/dbraw/zinc/91/05/21/740910521.db2.gz GQVCALXPQDSFGE-AWEZNQCLSA-N 0 0 369.506 2.546 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(Cl)nc1C ZINC000805004917 740924922 /nfs/dbraw/zinc/92/49/22/740924922.db2.gz FXDFIXZZKLZDEV-UHFFFAOYSA-N 0 0 353.875 2.896 20 10 FFCDRN C[C@@H](C[C@H]1CCOC1)NC(=O)NCc1cc(Br)ccc1O ZINC000805200580 740949353 /nfs/dbraw/zinc/94/93/53/740949353.db2.gz FCOHIGNUFHVLJL-WDEREUQCSA-N 0 0 357.248 2.769 20 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Cc1ccccc1NC(=O)C(=O)NCc1cc(Br)ccc1O ZINC000807386962 741131351 /nfs/dbraw/zinc/13/13/51/741131351.db2.gz SBVCFWXWIRERCI-UHFFFAOYSA-N 0 0 363.211 2.718 20 10 FFCDRN C[C@@H]1CSC[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000807476510 741136464 /nfs/dbraw/zinc/13/64/64/741136464.db2.gz GUXIJFOXHIAIMY-FVQBIDKESA-N 0 0 350.484 2.834 20 10 FFCDRN C[C@H](NC(=O)C(=O)N1CCSC(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC000807677177 741148121 /nfs/dbraw/zinc/14/81/21/741148121.db2.gz MFCRHGLCEQFCQQ-AWEZNQCLSA-N 0 0 363.527 2.674 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CC[C@@H](SC)C1 ZINC000807761791 741155695 /nfs/dbraw/zinc/15/56/95/741155695.db2.gz UCFZVXRQEGOLPH-DOTOQJQBSA-N 0 0 363.527 2.501 20 10 FFCDRN CC[C@@H](CSC)NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000807912580 741171221 /nfs/dbraw/zinc/17/12/21/741171221.db2.gz LGBTUPBMKGKANW-HNNXBMFYSA-N 0 0 363.527 2.501 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000808094368 741185467 /nfs/dbraw/zinc/18/54/67/741185467.db2.gz LZMRFTCFADYDFA-UHFFFAOYSA-N 0 0 372.215 2.671 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000808094676 741185493 /nfs/dbraw/zinc/18/54/93/741185493.db2.gz BJDKIYPPJWXUGQ-UHFFFAOYSA-N 0 0 368.451 2.602 20 10 FFCDRN CC(=O)C(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br ZINC000808493779 741230052 /nfs/dbraw/zinc/23/00/52/741230052.db2.gz OPIWJQJOXNKOPL-MRVPVSSYSA-N 0 0 363.591 2.571 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccc(Oc2cccc(Cl)c2Cl)nn1 ZINC000808521022 741232137 /nfs/dbraw/zinc/23/21/37/741232137.db2.gz DVVFMLSIKPEPQU-UHFFFAOYSA-N 0 0 369.160 2.891 20 10 FFCDRN CCSCCCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000808913240 741268074 /nfs/dbraw/zinc/26/80/74/741268074.db2.gz KSEPRGWNWNJGST-UHFFFAOYSA-N 0 0 363.527 2.503 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CCCCS1 ZINC000809171412 741290196 /nfs/dbraw/zinc/29/01/96/741290196.db2.gz LFUAWGZYZWNQOQ-QGZVFWFLSA-N 0 0 363.527 2.503 20 10 FFCDRN CCN(CC)c1ccc(CN2CCC(NS(=O)(=O)CC)CC2)cc1F ZINC000809736143 741338591 /nfs/dbraw/zinc/33/85/91/741338591.db2.gz GSEIRSWVSMXHKX-UHFFFAOYSA-N 0 0 371.522 2.576 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2nc3cc(Cl)ccn3n2)c1 ZINC000810250323 741401499 /nfs/dbraw/zinc/40/14/99/741401499.db2.gz MZYFHZRQFODAIL-SECBINFHSA-N 0 0 361.789 2.980 20 10 FFCDRN Cc1cc(C(F)(F)F)nn1CC(=O)NCCCSc1nccs1 ZINC000810397931 741413457 /nfs/dbraw/zinc/41/34/57/741413457.db2.gz CDLYLKWBELIVPK-UHFFFAOYSA-N 0 0 364.418 2.965 20 10 FFCDRN Fc1cc(CN2CC[C@@H](n3cc(Cl)cn3)C2)ccc1N1CCOCC1 ZINC000811520242 741533307 /nfs/dbraw/zinc/53/33/07/741533307.db2.gz MBVOJJWRTVJRLE-MRXNPFEDSA-N 0 0 364.852 2.959 20 10 FFCDRN Fc1cc(CNc2nc3cc(Cl)ccn3n2)ccc1N1CCOCC1 ZINC000811840264 741566772 /nfs/dbraw/zinc/56/67/72/741566772.db2.gz VOUQSMFAQUDFLA-UHFFFAOYSA-N 0 0 361.808 2.971 20 10 FFCDRN COC(=O)c1ccc(Cl)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000813514214 741728962 /nfs/dbraw/zinc/72/89/62/741728962.db2.gz YWSCCHUMFVMBTP-SNVBAGLBSA-N 0 0 363.797 2.899 20 10 FFCDRN CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000816547408 742040549 /nfs/dbraw/zinc/04/05/49/742040549.db2.gz VCLDXXZLIHKDOO-MRXNPFEDSA-N 0 0 350.821 2.974 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000816667697 742052308 /nfs/dbraw/zinc/05/23/08/742052308.db2.gz UPBMFFYTSAVUQQ-JKSUJKDBSA-N 0 0 356.260 2.564 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3csc4cncn43)C2)cc1 ZINC000819583002 742410901 /nfs/dbraw/zinc/41/09/01/742410901.db2.gz RZRGGROXSTUYJA-CYBMUJFWSA-N 0 0 356.451 2.661 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)CSCC(F)(F)F)C2)cc1 ZINC000819586440 742411111 /nfs/dbraw/zinc/41/11/11/742411111.db2.gz PYMOPFRAKHBTPW-GFCCVEGCSA-N 0 0 362.417 2.933 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCc3ncc(C)s3)C2)cc1 ZINC000823153004 742840965 /nfs/dbraw/zinc/84/09/65/742840965.db2.gz SDWQPKGLNWBWFB-CQSZACIVSA-N 0 0 360.483 2.786 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C[C@@H]2CCOC[C@@H]2OC)cc1F ZINC000823213198 742854402 /nfs/dbraw/zinc/85/44/02/742854402.db2.gz 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/nfs/dbraw/zinc/13/77/99/743137799.db2.gz LINJYFAIKIPWMM-UHFFFAOYSA-N 0 0 356.488 2.529 20 10 FFCDRN Cn1ccnc1[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000825328056 743249438 /nfs/dbraw/zinc/24/94/38/743249438.db2.gz XLSOZAMYSICLQP-JSGCOSHPSA-N 0 0 366.805 2.697 20 10 FFCDRN C[C@H]1CN(Cc2ccc(Br)cc2O)CC2(CCOCC2)O1 ZINC000825730933 743320139 /nfs/dbraw/zinc/32/01/39/743320139.db2.gz ADOUGWADTJHOBM-LBPRGKRZSA-N 0 0 356.260 2.925 20 10 FFCDRN CCC(=O)C1(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)CC1 ZINC000827095201 743504810 /nfs/dbraw/zinc/50/48/10/743504810.db2.gz CCEPKWSJYVEMJQ-OAHLLOKOSA-N 0 0 364.873 2.886 20 10 FFCDRN CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NCCCSc1nccs1 ZINC000827474776 743584786 /nfs/dbraw/zinc/58/47/86/743584786.db2.gz MSFJSFCJOAHZRP-AWEZNQCLSA-N 0 0 366.508 2.960 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000828427579 745066126 /nfs/dbraw/zinc/06/61/26/745066126.db2.gz OEXIIOUPXMQPLV-MFKMUULPSA-N 0 0 357.248 2.864 20 10 FFCDRN C[C@@H]1SCC[C@@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000828524908 745080886 /nfs/dbraw/zinc/08/08/86/745080886.db2.gz HPBDBXBGAIWEKJ-IMJJTQAJSA-N 0 0 350.484 2.977 20 10 FFCDRN O=C(NC[C@H]1CCC[C@@H]1NC(=O)C1=CC(=O)CS1)C1=CC(=O)CS1 ZINC000828712396 745101059 /nfs/dbraw/zinc/10/10/59/745101059.db2.gz FZGDSVWCUZQQJW-SKDRFNHKSA-N 0 0 366.464 2.549 20 10 FFCDRN C[C@@H](NC(=O)c1cc(Br)n(C)n1)c1ccc(N(C)C)cc1 ZINC000828861025 745128748 /nfs/dbraw/zinc/12/87/48/745128748.db2.gz LMFRYCYPDOLQRH-SNVBAGLBSA-N 0 0 351.248 2.740 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)C[C@H]3CCCC3(F)F)CC2)cc1 ZINC000829657362 745240111 /nfs/dbraw/zinc/24/01/11/745240111.db2.gz YDUZZYUGFPBTSE-CQSZACIVSA-N 0 0 374.453 2.582 20 10 FFCDRN O=S(=O)(c1c[nH]nc1Cl)N(Cc1ccccc1O)C1CCCC1 ZINC000830628215 745394486 /nfs/dbraw/zinc/39/44/86/745394486.db2.gz UHCYROPORICOAK-UHFFFAOYSA-N 0 0 355.847 2.902 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN([C@@H](CO)c2ccc(Cl)cc2)CC1 ZINC000831272332 745509307 /nfs/dbraw/zinc/50/93/07/745509307.db2.gz 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C[C@@H]1CC[C@H](C)N1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838746152 746705420 /nfs/dbraw/zinc/70/54/20/746705420.db2.gz FPKFZBVVPIHNJX-BETUJISGSA-N 0 0 353.413 2.884 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1C2CCC1CC2 ZINC000838747556 746705897 /nfs/dbraw/zinc/70/58/97/746705897.db2.gz VCPUNGMEWVWVLN-UHFFFAOYSA-N 0 0 351.397 2.638 20 10 FFCDRN O=C(Nc1cnsn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000839116320 746778457 /nfs/dbraw/zinc/77/84/57/746778457.db2.gz OSYOXVBKOPPJDV-SNVBAGLBSA-N 0 0 369.397 2.930 20 10 FFCDRN NC(=O)[C@H]1CCCN1Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000839129118 746782704 /nfs/dbraw/zinc/78/27/04/746782704.db2.gz LDYAJCWTQRHYEI-MRXNPFEDSA-N 0 0 366.303 2.889 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[C@H](C(=O)OC)C2)cc1F ZINC000839678265 746891899 /nfs/dbraw/zinc/89/18/99/746891899.db2.gz YXIBCTRFFWBCAQ-CABCVRRESA-N 0 0 350.434 2.877 20 10 FFCDRN CCOC(=O)[C@@H](CC)SCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000840199823 747035901 /nfs/dbraw/zinc/03/59/01/747035901.db2.gz 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747249821 /nfs/dbraw/zinc/24/98/21/747249821.db2.gz RZUQORCBOOANBW-UHFFFAOYSA-N 0 0 357.292 2.697 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CC[C@@H](C(F)(F)F)C3(CCC3)C2)cc1 ZINC000841126355 747274865 /nfs/dbraw/zinc/27/48/65/747274865.db2.gz XBRZTMAPQYCRBJ-CYBMUJFWSA-N 0 0 355.360 2.788 20 10 FFCDRN [NH3+]CC[C@H](NC(=O)NCc1cc(Cl)cc(Cl)c1[O-])C(F)(F)F ZINC000841333701 747319017 /nfs/dbraw/zinc/31/90/17/747319017.db2.gz PPKYOQSTBJMYOV-VIFPVBQESA-N 0 0 360.163 2.778 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)cc1 ZINC000841380527 747330019 /nfs/dbraw/zinc/33/00/19/747330019.db2.gz XDCKRGMSEVCSMF-GJZGRUSLSA-N 0 0 354.516 2.560 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1cc(Cl)ccc1O ZINC000841892077 747482523 /nfs/dbraw/zinc/48/25/23/747482523.db2.gz DAZDKJSHIGWVNA-ZBFHGGJFSA-N 0 0 368.861 2.866 20 10 FFCDRN Cc1cc(C(=O)CN2C(=O)C[C@@H](C)C2=O)c(C)n1-c1ccc(Cl)cn1 ZINC000842033759 747505180 /nfs/dbraw/zinc/50/51/80/747505180.db2.gz DICZLEHONMLBIG-SNVBAGLBSA-N 0 0 359.813 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CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846472707 748487803 /nfs/dbraw/zinc/48/78/03/748487803.db2.gz LWLYRWXKFDAZFU-LBPRGKRZSA-N 0 0 372.874 2.972 20 10 FFCDRN CC(C)[C@@H](C(=O)NCc1cc(Cl)ccc1O)N1C[C@@H](C)O[C@H](C)C1 ZINC000846474058 748488472 /nfs/dbraw/zinc/48/84/72/748488472.db2.gz WZJOAMBEPPXKLP-XNJGSVPQSA-N 0 0 354.878 2.796 20 10 FFCDRN COc1cc(C)cc(C[N@@H+]2CCC[C@@H]([N-]C(=O)C(F)(F)F)[C@H]2C)c1O ZINC000848502043 748942577 /nfs/dbraw/zinc/94/25/77/748942577.db2.gz OQFUQLXBQOWXQK-DGCLKSJQSA-N 0 0 360.376 2.741 20 10 FFCDRN C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1cc(Br)ccc1O ZINC000848556863 748959980 /nfs/dbraw/zinc/95/99/80/748959980.db2.gz FICKLCKDIVLPEB-ZANVPECISA-N 0 0 367.247 2.975 20 10 FFCDRN C[C@H]([NH2+]Cc1nnc([C@H]2CCCO2)[n-]1)c1ccc(Br)cc1O ZINC000848557796 748960198 /nfs/dbraw/zinc/96/01/98/748960198.db2.gz LMJJTFIXNKHRQQ-TVQRCGJNSA-N 0 0 367.247 2.975 20 10 FFCDRN O=c1[nH]cnc2c1ccnc2NCc1ccc(N2CCSCC2)cc1 ZINC000848647805 748975219 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O=C(NCCc1ccsc1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851952093 749734781 /nfs/dbraw/zinc/73/47/81/749734781.db2.gz IGEFFTPFSKZYMA-UHFFFAOYSA-N 0 0 359.495 2.751 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N[C@H]1CCC(F)(F)C1 ZINC000852210992 749803165 /nfs/dbraw/zinc/80/31/65/749803165.db2.gz DGQMWRSEOILHKI-AWEZNQCLSA-N 0 0 353.413 2.635 20 10 FFCDRN CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000852351014 749841778 /nfs/dbraw/zinc/84/17/78/749841778.db2.gz HBSDFODDMCHGGI-MJEQTWJJSA-N 0 0 355.862 2.904 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@]4(CC4(F)F)C3)C2)cc1 ZINC000852447856 749860823 /nfs/dbraw/zinc/86/08/23/749860823.db2.gz FWOBHUHQJLMVKW-CXAGYDPISA-N 0 0 351.397 2.715 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3cnc(C)s3)C2)cc1 ZINC000852452771 749862855 /nfs/dbraw/zinc/86/28/55/749862855.db2.gz FWPHOGUWENNOMF-AWEZNQCLSA-N 0 0 360.483 2.880 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cscn1 ZINC000852511240 749879318 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CC(=O)N[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)c1ccc(C)cc1 ZINC000015135103 971909644 /nfs/dbraw/zinc/90/96/44/971909644.db2.gz GFPRLKUHFKITFA-FQEVSTJZSA-N 0 0 353.466 2.945 20 10 FFCDRN COc1cc(Br)cc(CN2CC[C@@](N)(C(F)(F)F)C2)c1O ZINC001206222986 1013136317 /nfs/dbraw/zinc/13/63/17/1013136317.db2.gz RQGVNLNOWBZSJX-LBPRGKRZSA-N 0 0 369.181 2.629 20 10 FFCDRN CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2ccc(Cl)cc2O)C1=O ZINC001275892372 1013153464 /nfs/dbraw/zinc/15/34/64/1013153464.db2.gz BQIILYXOVWAEKC-XIKOKIGWSA-N 0 0 350.846 2.590 20 10 FFCDRN CCn1ccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000843545161 959819039 /nfs/dbraw/zinc/81/90/39/959819039.db2.gz PAXGPPQOWQDLRP-UHFFFAOYSA-N 0 0 364.396 2.903 20 10 FFCDRN NC(=O)c1cccc2c1CCCN2C(=O)/C=C/c1cnc2ccccc2n1 ZINC000120727314 960080828 /nfs/dbraw/zinc/08/08/28/960080828.db2.gz KLASNQPIYCWPFB-ZHACJKMWSA-N 0 0 358.401 2.721 20 10 FFCDRN CN(c1ccc(-c2cnn(C)c2)cc1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001174380579 1013194800 /nfs/dbraw/zinc/19/48/00/1013194800.db2.gz TWARIWAKHDMCLL-UHFFFAOYSA-N 0 0 370.478 2.678 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCN2C(=O)c1cccc(O)c1O ZINC000890817794 960607140 /nfs/dbraw/zinc/60/71/40/960607140.db2.gz JCBQEPQYDOYTMS-CWTRNNRKSA-N 0 0 362.426 2.617 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ccnc4ncccc34)cc2)CC1 ZINC000872518531 1013221615 /nfs/dbraw/zinc/22/16/15/1013221615.db2.gz VUKKNHDZAYVHBA-UHFFFAOYSA-N 0 0 361.449 2.910 20 10 FFCDRN CCOC1CC2(C[C@H]2NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000872852149 1013278876 /nfs/dbraw/zinc/27/88/76/1013278876.db2.gz KOEIHKVBFWCPFS-JIFINUTQSA-N 0 0 373.497 2.841 20 10 FFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccc(NC(N)=O)cc1 ZINC000045863052 962309182 /nfs/dbraw/zinc/30/91/82/962309182.db2.gz DQADHJZMHINJEU-UHFFFAOYSA-N 0 0 363.377 2.671 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@@H]4CCC[C@@H]4O3)C2)cc1 ZINC000873062696 1013369890 /nfs/dbraw/zinc/36/98/90/1013369890.db2.gz XLAXNFQXCZFIIY-LNMJFAINSA-N 0 0 359.470 2.531 20 10 FFCDRN COc1cccc2c1OC[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)C2 ZINC000728302713 963024930 /nfs/dbraw/zinc/02/49/30/963024930.db2.gz RLTJBGHKIDUSDG-INIZCTEOSA-N 0 0 355.438 2.564 20 10 FFCDRN Cc1nc2ncc(NCc3ccc(N4CC[NH+](C)CC4)cc3)nc2s1 ZINC001167426495 963027099 /nfs/dbraw/zinc/02/70/99/963027099.db2.gz GVAUKEKMAYLCGS-UHFFFAOYSA-N 0 0 354.483 2.759 20 10 FFCDRN Cn1cnc2c1cc(Cl)nc2NCc1ccc(N2CC[NH+](C)CC2)cc1 ZINC001167426192 963027307 /nfs/dbraw/zinc/02/73/07/963027307.db2.gz AYHGHQTZJUBTTL-UHFFFAOYSA-N 0 0 370.888 2.986 20 10 FFCDRN CCC[C@@H]1CN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000160589648 963053962 /nfs/dbraw/zinc/05/39/62/963053962.db2.gz ZLVQEKPNSHABJP-QFBILLFUSA-N 0 0 361.486 2.795 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873141974 1013399978 /nfs/dbraw/zinc/39/99/78/1013399978.db2.gz OGXIZFABGPTWOO-YZGWKJHDSA-N 0 0 373.497 2.622 20 10 FFCDRN C[NH+]1CCN(c2ccc(CNc3cccc(N4CCNC4=O)c3)cc2)CC1 ZINC001167434739 963185041 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FFCDRN CN1C(=O)C[C@@H](C(=O)NCc2ccc(O)cc2O)[C@@H]1c1cccc(Cl)c1 ZINC000910951247 982097816 /nfs/dbraw/zinc/09/78/16/982097816.db2.gz QFDXHWIDWDPSRL-QAPCUYQASA-N 0 0 374.824 2.587 20 10 FFCDRN CC(C)CC(=O)N[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC000910955814 982098532 /nfs/dbraw/zinc/09/85/32/982098532.db2.gz UWCHWOKMUUBHLV-LJQANCHMSA-N 0 0 356.422 2.618 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(F)(F)[C@H](C(=O)NCc2ccccc2O)C1 ZINC000760456081 982413566 /nfs/dbraw/zinc/41/35/66/982413566.db2.gz UWTMMDXWSNIQBZ-ZDUSSCGKSA-N 0 0 370.396 2.901 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)OC23CCC3)c(O)c1 ZINC000897628268 982443404 /nfs/dbraw/zinc/44/34/04/982443404.db2.gz BQZHQIKWDMWCCQ-SFHVURJKSA-N 0 0 367.401 2.894 20 10 FFCDRN CN(C(=O)NCCc1ccc(N)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000841954227 982464985 /nfs/dbraw/zinc/46/49/85/982464985.db2.gz KCEPXZYXSNQPQB-LJQANCHMSA-N 0 0 366.465 2.648 20 10 FFCDRN CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001142534248 982622639 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COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)c2nncn2C)CCCC1 ZINC000651114259 1014987890 /nfs/dbraw/zinc/98/78/90/1014987890.db2.gz UGOCVJKGVHDWAT-CYBMUJFWSA-N 0 0 367.453 2.535 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2nnc(C)o2)CCCC1 ZINC000651132794 1014998237 /nfs/dbraw/zinc/99/82/37/1014998237.db2.gz DCEZPKHMAZGPQJ-UHFFFAOYSA-N 0 0 354.410 2.537 20 10 FFCDRN CCn1nc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1C1CC1 ZINC000912291844 984001710 /nfs/dbraw/zinc/00/17/10/984001710.db2.gz DQTNHAMROCFZKT-HNNXBMFYSA-N 0 0 354.454 2.798 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCCc2cnn(C)c2)CCCC1 ZINC000651125484 1014995980 /nfs/dbraw/zinc/99/59/80/1014995980.db2.gz MIEZXGIHFBDRCJ-UHFFFAOYSA-N 0 0 366.465 2.621 20 10 FFCDRN CC[NH+]1CCN(c2cccc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)c2)CC1 ZINC001596442423 984136683 /nfs/dbraw/zinc/13/66/83/984136683.db2.gz TUVSJPQWLRWNPK-UHFFFAOYSA-N 0 0 371.412 2.918 20 10 FFCDRN CN(C)c1ccc(CN(C)Cn2nc(-c3cnccn3)n(C)c2=S)cc1 ZINC000151128227 984194214 /nfs/dbraw/zinc/19/42/14/984194214.db2.gz 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COc1ccc(N2CCC(N3C(=O)[C@@H](C)N(C4CCC4)C3=O)CC2)cc1 ZINC000761224124 984938545 /nfs/dbraw/zinc/93/85/45/984938545.db2.gz TZGBKFQVPMADNH-CQSZACIVSA-N 0 0 357.454 2.869 20 10 FFCDRN COc1ccc([C@@H]2NC(=O)N(Cc3ccc(N4CC=CC4)cc3)C2=O)cc1 ZINC000761357897 985225831 /nfs/dbraw/zinc/22/58/31/985225831.db2.gz FDUYJBBGEOCVHS-IBGZPJMESA-N 0 0 363.417 2.865 20 10 FFCDRN COc1ccc([C@H]2NC(=O)N(Cc3ccc(N(C)C)cc3C)C2=O)cc1O ZINC000761361131 985229788 /nfs/dbraw/zinc/22/97/88/985229788.db2.gz XFJCEXPJWYCLMB-GOSISDBHSA-N 0 0 369.421 2.568 20 10 FFCDRN C[C@H](CC(=O)NCc1ccc2c(c1)CCCN2C)NC(=O)C1CCCC1 ZINC000171403331 985281518 /nfs/dbraw/zinc/28/15/18/985281518.db2.gz QVIMPIVYYSTKTO-OAHLLOKOSA-N 0 0 357.498 2.770 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CCc2nnc(-c3ccccc3)o2)c1 ZINC000172043292 985449694 /nfs/dbraw/zinc/44/96/94/985449694.db2.gz IXQKPMKYLCSIMN-UHFFFAOYSA-N 0 0 353.378 2.700 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCOc4ccccc43)CC2)cc1 ZINC000062634835 985569024 /nfs/dbraw/zinc/56/90/24/985569024.db2.gz KAGYKTMJDLCOOH-IBGZPJMESA-N 0 0 352.434 2.910 20 10 FFCDRN Cc1cc(C(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(C)cc1 ZINC000062658947 985575326 /nfs/dbraw/zinc/57/53/26/985575326.db2.gz LNAZQUBJYFWBAS-GOSISDBHSA-N 0 0 374.506 2.704 20 10 FFCDRN COC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CCO1 ZINC000172625593 985631709 /nfs/dbraw/zinc/63/17/09/985631709.db2.gz GBNTYOYHSLJQIK-SFHVURJKSA-N 0 0 358.438 2.590 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000173196089 985768136 /nfs/dbraw/zinc/76/81/36/985768136.db2.gz VEAAFRGTPRQUOL-IBGZPJMESA-N 0 0 351.406 2.671 20 10 FFCDRN C[C@H]1CC[C@H](C(F)(F)F)CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785440682 985785443 /nfs/dbraw/zinc/78/54/43/985785443.db2.gz BHZIIYUNRXBCKC-JSGCOSHPSA-N 0 0 371.403 2.558 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000186381903 986027823 /nfs/dbraw/zinc/02/78/23/986027823.db2.gz DVQBZJOJWQBSTN-NSHDSACASA-N 0 0 369.377 2.777 20 10 FFCDRN Cc1cnc(CN2CC[C@H](NC(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C)o1 ZINC001089070134 986192055 /nfs/dbraw/zinc/19/20/55/986192055.db2.gz PEGKMMSPFDJVSK-DOMZBBRYSA-N 0 0 370.413 2.538 20 10 FFCDRN Cc1nc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)sc1C ZINC000174307765 986194647 /nfs/dbraw/zinc/19/46/47/986194647.db2.gz CYXHEXYQTMORJU-UHFFFAOYSA-N 0 0 374.510 2.938 20 10 FFCDRN Oc1cc(I)ccc1CN1Cc2cccnc2C1 ZINC001232974414 986349389 /nfs/dbraw/zinc/34/93/89/986349389.db2.gz NGTMICULLBQEDS-UHFFFAOYSA-N 0 0 352.175 2.908 20 10 FFCDRN COc1ncc(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1Cl ZINC001212415307 986381839 /nfs/dbraw/zinc/38/18/39/986381839.db2.gz AMMQSMHFVBPIGJ-UHFFFAOYSA-N 0 0 363.222 2.581 20 10 FFCDRN O=S(=O)(C[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1cc(Cl)ccc1O ZINC001212413132 986383919 /nfs/dbraw/zinc/38/39/19/986383919.db2.gz GOXIGLINORMSCB-PWSUYJOCSA-N 0 0 373.780 2.575 20 10 FFCDRN Cc1nn(C)c(C)c1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000055530885 986629220 /nfs/dbraw/zinc/62/92/20/986629220.db2.gz 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CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1cc(C(C)(C)C)nn1C ZINC000746495708 1000190889 /nfs/dbraw/zinc/19/08/89/1000190889.db2.gz DEGQLPKHUUEUKS-UHFFFAOYSA-N 0 0 371.485 2.621 20 10 FFCDRN COc1cccc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000846164000 1000213384 /nfs/dbraw/zinc/21/33/84/1000213384.db2.gz CWISZHIMYJKMTM-SUMWQHHRSA-N 0 0 358.413 2.992 20 10 FFCDRN COc1cccc([C@H](C)Nc2cnn(Cc3nnc4n3CCCC4)c2)c1O ZINC000846163620 1000213431 /nfs/dbraw/zinc/21/34/31/1000213431.db2.gz CASJCYGRRUCYAD-ZDUSSCGKSA-N 0 0 368.441 2.747 20 10 FFCDRN CN(C(=O)c1ccc(N=NC(N)=O)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC001144730212 1000215821 /nfs/dbraw/zinc/21/58/21/1000215821.db2.gz MEQVNQXEYIZMDP-INIZCTEOSA-N 0 0 365.393 2.727 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N[C@H]3CNc4ccccc4C3)ccc21 ZINC000846142610 1000218126 /nfs/dbraw/zinc/21/81/26/1000218126.db2.gz FSPMGUQEYXASBZ-GOSISDBHSA-N 0 0 350.466 2.905 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc3oc(=O)[nH]c3c2)cc1 ZINC000846442323 1000292969 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[O-]c1c(Br)cc(Br)cc1C[NH2+][C@]12C[C@H]1COC2 ZINC001119452335 1022780489 /nfs/dbraw/zinc/78/04/89/1022780489.db2.gz JLSGOJPWLMWJMZ-UFBFGSQYSA-N 0 0 363.049 2.796 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCOC4(CCC4)C3)CC2)c(OC)c1 ZINC001119658709 1022919860 /nfs/dbraw/zinc/91/98/60/1022919860.db2.gz MRPYWWDTYIHANF-INIZCTEOSA-N 0 0 374.481 2.702 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC[C@H]([C@@H](O)C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000829305911 1033092895 /nfs/dbraw/zinc/09/28/95/1033092895.db2.gz OSECTTWDDWQLRV-YQRHFANHSA-N 0 0 374.315 2.531 20 10 FFCDRN CC1(C)C(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1(C)C ZINC000752021050 1023025898 /nfs/dbraw/zinc/02/58/98/1023025898.db2.gz WLRAKSUAJUODTO-OAHLLOKOSA-N 0 0 372.513 2.622 20 10 FFCDRN COC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C[C@@H](C)O1 ZINC000188179605 1023032261 /nfs/dbraw/zinc/03/22/61/1023032261.db2.gz VYTITDUGIMYUOB-DNVCBOLYSA-N 0 0 372.465 2.979 20 10 FFCDRN COc1ccc(N(C)C[C@@H](O)COc2cccc(C(C)=O)c2)c(OC)c1 ZINC000752108820 1023066205 /nfs/dbraw/zinc/06/62/05/1023066205.db2.gz CDRBUZUZOWPDHG-MRXNPFEDSA-N 0 0 359.422 2.783 20 10 FFCDRN C[C@@H](NC(=O)Nc1ncn(C(C)(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000752996637 1023245288 /nfs/dbraw/zinc/24/52/88/1023245288.db2.gz BJEQAYZJOKOWFK-CQSZACIVSA-N 0 0 372.473 2.752 20 10 FFCDRN CNC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000753427971 1023325231 /nfs/dbraw/zinc/32/52/31/1023325231.db2.gz FJXILNNFGOJWRH-UHFFFAOYSA-N 0 0 368.481 2.542 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2 ZINC001120616978 1023388907 /nfs/dbraw/zinc/38/89/07/1023388907.db2.gz FALZKOIHXIRPDX-UHFFFAOYSA-N 0 0 353.344 2.755 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(C)cn2)cc1F ZINC001120906172 1023520183 /nfs/dbraw/zinc/52/01/83/1023520183.db2.gz COLGNCYSCDHSNI-UHFFFAOYSA-N 0 0 358.417 2.630 20 10 FFCDRN C[C@H](NC(=O)c1cn(C)nc1C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000754843150 1023526002 /nfs/dbraw/zinc/52/60/02/1023526002.db2.gz PDHUDDBPEGNEJH-LBPRGKRZSA-N 0 0 364.396 2.685 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)N3CC[C@H](C(C)C)C3)CC2)cc1 ZINC000755137083 1023569240 /nfs/dbraw/zinc/56/92/40/1023569240.db2.gz ROLOBFSPIDFNCR-SFHVURJKSA-N 0 0 374.529 2.505 20 10 FFCDRN CCn1ncc(Br)c1C(=O)NCc1ccc(N(C)C)cc1C ZINC001121026310 1023574433 /nfs/dbraw/zinc/57/44/33/1023574433.db2.gz YHGITDHXJICXPN-UHFFFAOYSA-N 0 0 365.275 2.970 20 10 FFCDRN CCC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)COC1 ZINC000755199981 1023577117 /nfs/dbraw/zinc/57/71/17/1023577117.db2.gz UDKLRLPSOATCLP-UHFFFAOYSA-N 0 0 372.387 2.585 20 10 FFCDRN COc1cc(O[C@H]2CC[NH2+]C[C@H]2C)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001218420105 1033148740 /nfs/dbraw/zinc/14/87/40/1033148740.db2.gz RCZJIDYBDZKVRR-MFKMUULPSA-N 0 0 371.389 2.743 20 10 FFCDRN CCC[C@H]1CN(c2nnc(C3Sc4ncccc4C3=O)n2C)CCO1 ZINC001121460867 1023791276 /nfs/dbraw/zinc/79/12/76/1023791276.db2.gz PPJJGBIKXBTQNL-NSHDSACASA-N 0 0 359.455 2.803 20 10 FFCDRN Cc1nc(N(C)C)sc1-c1nnc(N(C)Cc2ccccc2O)n1C ZINC001121478801 1023799998 /nfs/dbraw/zinc/79/99/98/1023799998.db2.gz ZHWGKRQQNXIIRV-UHFFFAOYSA-N 0 0 358.471 2.655 20 10 FFCDRN CC(=O)c1ccccc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000757495352 1023824550 /nfs/dbraw/zinc/82/45/50/1023824550.db2.gz CYUWQUGOQWECNS-UHFFFAOYSA-N 0 0 368.433 2.771 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c(F)ccnc1Cl ZINC001123500792 1023835149 /nfs/dbraw/zinc/83/51/49/1023835149.db2.gz DYGABAXHBDOFIW-UHFFFAOYSA-N 0 0 367.783 2.780 20 10 FFCDRN CCCOc1cccnc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000757794935 1023861025 /nfs/dbraw/zinc/86/10/25/1023861025.db2.gz ZWSDEIVWBCUCTN-UHFFFAOYSA-N 0 0 355.438 2.841 20 10 FFCDRN Oc1cccc(F)c1CN1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001137834639 1033169016 /nfs/dbraw/zinc/16/90/16/1033169016.db2.gz NWRZIVIBKYEUNA-OAHLLOKOSA-N 0 0 368.412 2.834 20 10 FFCDRN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779480099 1023933895 /nfs/dbraw/zinc/93/38/95/1023933895.db2.gz BTTFUKDXNSWYSH-KLQCNHIUSA-N 0 0 369.417 2.949 20 10 FFCDRN Cc1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)ccc1N1C(=O)CCC1=O ZINC000779483529 1023935915 /nfs/dbraw/zinc/93/59/15/1023935915.db2.gz HYPCLKZGAMNQGN-CLTKARDFSA-N 0 0 366.373 2.712 20 10 FFCDRN Cn1ccnc1[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC000779492355 1023937443 /nfs/dbraw/zinc/93/74/43/1023937443.db2.gz DAEGOLOEHHBJRF-FOTOIKQHSA-N 0 0 367.380 2.889 20 10 FFCDRN COC(=O)C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(OC)cc1 ZINC000779493834 1023937563 /nfs/dbraw/zinc/93/75/63/1023937563.db2.gz PFXPZZJUTAONFK-WJXUGBSRSA-N 0 0 371.389 2.540 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(C(=O)N2CCCC2)cc1 ZINC000779494675 1023938509 /nfs/dbraw/zinc/93/85/09/1023938509.db2.gz XCSVVXRQQWVOGH-UXBLZVDNSA-N 0 0 366.417 2.663 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(CN2CCOC2=O)c1 ZINC000779500713 1023943784 /nfs/dbraw/zinc/94/37/84/1023943784.db2.gz NZLBWOJIOBRGMH-ALCCZGGFSA-N 0 0 354.362 2.702 20 10 FFCDRN CCn1c(-c2cnn3c2CCCC3)nnc1N(C)Cc1ccccc1O ZINC001121745474 1023963976 /nfs/dbraw/zinc/96/39/76/1023963976.db2.gz YKKRQAFPYASBMY-UHFFFAOYSA-N 0 0 352.442 2.840 20 10 FFCDRN CCn1c([C@@H]2C[C@@H]2C)nnc1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001121759768 1023982752 /nfs/dbraw/zinc/98/27/52/1023982752.db2.gz ZVKONIPITNKTBS-MAUKXSAKSA-N 0 0 355.486 2.894 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@@H]1[C@H](C)Nc2ccnn2[C@H]1C ZINC001123778764 1024016075 /nfs/dbraw/zinc/01/60/75/1024016075.db2.gz CYRDMSKNSRPDSR-ORIJERBGSA-N 0 0 372.469 2.813 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@@H]1[C@@H](C)Nc2ccnn2[C@@H]1C ZINC001123778760 1024016381 /nfs/dbraw/zinc/01/63/81/1024016381.db2.gz CYRDMSKNSRPDSR-IXYNUQLISA-N 0 0 372.469 2.813 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000779542719 1024025650 /nfs/dbraw/zinc/02/56/50/1024025650.db2.gz RWDCVVPXXCNDJG-OLUUIJGHSA-N 0 0 367.323 2.980 20 10 FFCDRN Cc1cc(CNC(=O)C2CC3(C2)CS(=O)(=O)C3)c(C)n1-c1ccccc1 ZINC001123840189 1024076335 /nfs/dbraw/zinc/07/63/35/1024076335.db2.gz GNCPILHPUAXRKP-UHFFFAOYSA-N 0 0 372.490 2.535 20 10 FFCDRN Cc1cc(C(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000779555952 1024105123 /nfs/dbraw/zinc/10/51/23/1024105123.db2.gz XRLJUXIRPGMLMP-MSOLQXFVSA-N 0 0 369.509 2.930 20 10 FFCDRN Cc1cc(F)ccc1N1CCC[C@H](OC(=O)c2cccc(O)c2O)C1=O ZINC000758563763 1024177075 /nfs/dbraw/zinc/17/70/75/1024177075.db2.gz ZLRZVNDGDWXQAT-INIZCTEOSA-N 0 0 359.353 2.898 20 10 FFCDRN C[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1CCc1ccccc1 ZINC001122121680 1024358155 /nfs/dbraw/zinc/35/81/55/1024358155.db2.gz YOONQPCVLGQAMA-HNNXBMFYSA-N 0 0 352.438 2.916 20 10 FFCDRN CCc1nc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)sc1C ZINC000193044348 1024363523 /nfs/dbraw/zinc/36/35/23/1024363523.db2.gz JTBMCDHOXUDKGB-UHFFFAOYSA-N 0 0 373.478 2.853 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCn3ccnc3C2)C2CC2)cc1 ZINC000779664906 1024394251 /nfs/dbraw/zinc/39/42/51/1024394251.db2.gz FBZBJNBOLFTBRX-INIZCTEOSA-N 0 0 353.470 2.638 20 10 FFCDRN C[C@H](NC(=O)NC1CCN(c2cccnn2)CC1)c1ccc(N(C)C)cc1 ZINC000759148426 1024492387 /nfs/dbraw/zinc/49/23/87/1024492387.db2.gz LCRYUQVNXUXXEC-HNNXBMFYSA-N 0 0 368.485 2.572 20 10 FFCDRN CCO[C@@H]1COCC[C@H]1NC(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000759299745 1024553349 /nfs/dbraw/zinc/55/33/49/1024553349.db2.gz ULEXZUYALPDVBR-RTBURBONSA-N 0 0 363.502 2.868 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000759497410 1024635429 /nfs/dbraw/zinc/63/54/29/1024635429.db2.gz BGJQIRRRHPAKJN-UHFFFAOYSA-N 0 0 354.406 2.703 20 10 FFCDRN CCOC(=O)c1cc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)cn1C ZINC000759504861 1024638908 /nfs/dbraw/zinc/63/89/08/1024638908.db2.gz RDWCBSWBDMIRAS-LLVKDONJSA-N 0 0 361.398 2.799 20 10 FFCDRN Cc1ccccc1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000193904599 1024712748 /nfs/dbraw/zinc/71/27/48/1024712748.db2.gz AQQPIOABYJPQBM-KRWDZBQOSA-N 0 0 368.433 2.847 20 10 FFCDRN COCCN(CC(=O)N1[C@H](C)CCC[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000081155821 1024766624 /nfs/dbraw/zinc/76/66/24/1024766624.db2.gz KIZUELOQUOEULM-HZPDHXFCSA-N 0 0 364.486 2.946 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCNC(=O)c2cccs2)cc1 ZINC000194482551 1024808450 /nfs/dbraw/zinc/80/84/50/1024808450.db2.gz HOMXNQZKJFBEQE-UHFFFAOYSA-N 0 0 374.510 2.824 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(C2CC2)on1 ZINC000194637010 1024871520 /nfs/dbraw/zinc/87/15/20/1024871520.db2.gz VTLCSWFZNJPJAV-UHFFFAOYSA-N 0 0 355.438 2.691 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)Nc3ccccc3C)CC2)cc1F ZINC000084866752 1025152503 /nfs/dbraw/zinc/15/25/03/1025152503.db2.gz JQZIKOFLEAOTPX-UHFFFAOYSA-N 0 0 357.429 2.903 20 10 FFCDRN COc1ccc(N2CCN(Cn3c4cc(C)ccc4oc3=O)CC2)cc1F ZINC000084926065 1025158187 /nfs/dbraw/zinc/15/81/87/1025158187.db2.gz ZTYPFUISPRPKHE-UHFFFAOYSA-N 0 0 371.412 2.830 20 10 FFCDRN COC(=O)/C=C\c1ccc(N(CCO)Cc2ccc(C)o2)c([N+](=O)[O-])c1 ZINC000795279788 1025440630 /nfs/dbraw/zinc/44/06/30/1025440630.db2.gz LWUARJMDNWWQBN-YVMONPNESA-N 0 0 360.366 2.681 20 10 FFCDRN COc1ccccc1CN1CCN(Cc2ccc3c(c2)OCCN3C)CC1 ZINC001141143280 1025516117 /nfs/dbraw/zinc/51/61/17/1025516117.db2.gz SDXLNQMTXVEDAC-UHFFFAOYSA-N 0 0 367.493 2.842 20 10 FFCDRN CCOC(Cn1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1)OCC ZINC000837320822 1025723017 /nfs/dbraw/zinc/72/30/17/1025723017.db2.gz MWOFCFGBWOGNEQ-UHFFFAOYSA-N 0 0 374.485 2.620 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1 ZINC000837375542 1025757043 /nfs/dbraw/zinc/75/70/43/1025757043.db2.gz DBSVPPJVPHSGTQ-FFGOWVMKSA-N 0 0 370.493 2.875 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)ccc21 ZINC000246147305 1025807101 /nfs/dbraw/zinc/80/71/01/1025807101.db2.gz QBLGBXYPKZZTKR-QRQLOZEOSA-N 0 0 355.482 2.826 20 10 FFCDRN CCOC(Cn1cc(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1)OCC ZINC000837543021 1025884286 /nfs/dbraw/zinc/88/42/86/1025884286.db2.gz SNYNXGMFSPCMSA-HNNXBMFYSA-N 0 0 374.485 2.839 20 10 FFCDRN CC(C)c1[nH]ccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000795398271 1025907040 /nfs/dbraw/zinc/90/70/40/1025907040.db2.gz XUIYXPVSOZBNPV-MRXNPFEDSA-N 0 0 368.481 2.770 20 10 FFCDRN Cc1cccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c1O ZINC000837704979 1025973863 /nfs/dbraw/zinc/97/38/63/1025973863.db2.gz PYRFYAWUTGFMMC-UHFFFAOYSA-N 0 0 362.376 2.745 20 10 FFCDRN CC(C)c1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)no1 ZINC000837709534 1025975956 /nfs/dbraw/zinc/97/59/56/1025975956.db2.gz ZIORXRKNTOFKCO-UHFFFAOYSA-N 0 0 365.380 2.843 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000837816301 1026034878 /nfs/dbraw/zinc/03/48/78/1026034878.db2.gz GCUQXIRVWWSCMY-PMACEKPBSA-N 0 0 355.482 2.853 20 10 FFCDRN CC(C)(C)[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C[C@@H](O)CO ZINC001141367472 1026043533 /nfs/dbraw/zinc/04/35/33/1026043533.db2.gz BNFDXWQGYBJSCF-LLVKDONJSA-N 0 0 366.683 2.762 20 10 FFCDRN CCC1(c2ccccc2)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000838188658 1026249523 /nfs/dbraw/zinc/24/95/23/1026249523.db2.gz CUEJOBRSGWSQRX-UHFFFAOYSA-N 0 0 374.462 2.568 20 10 FFCDRN COC[C@]1(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)CCOC1 ZINC000838261035 1026286194 /nfs/dbraw/zinc/28/61/94/1026286194.db2.gz ZXBFUWVRXUAOOA-OAQYLSRUSA-N 0 0 371.433 2.873 20 10 FFCDRN C[C@H](Cc1cnn(C)c1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000838694614 1026470955 /nfs/dbraw/zinc/47/09/55/1026470955.db2.gz ROFADCYPRMZJRI-OAHLLOKOSA-N 0 0 355.486 2.791 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@@H](OC(C)(C)C)[C@@H]1n1cccn1 ZINC000838703933 1026474885 /nfs/dbraw/zinc/47/48/85/1026474885.db2.gz KCUFCMLXVWOPLI-KBAYOESNSA-N 0 0 372.469 2.927 20 10 FFCDRN O=C(NCCC[C@@H]1CCOC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000838717166 1026478318 /nfs/dbraw/zinc/47/83/18/1026478318.db2.gz RYTGMICIBATPQA-AEFFLSMTSA-N 0 0 362.470 2.900 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1C[C@H]2CCCCN2C1=O ZINC000838744106 1026489318 /nfs/dbraw/zinc/48/93/18/1026489318.db2.gz NBEMMISEPURMOS-MOPGFXCFSA-N 0 0 372.513 2.826 20 10 FFCDRN Cc1cccn2c(=O)c(C(=O)NCc3c(O)ccc4c3CCCC4)cnc12 ZINC000091075499 1026542204 /nfs/dbraw/zinc/54/22/04/1026542204.db2.gz IJJCRQVBESZKEK-UHFFFAOYSA-N 0 0 363.417 2.517 20 10 FFCDRN Cc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1-n1cnnn1 ZINC001141549478 1026555875 /nfs/dbraw/zinc/55/58/75/1026555875.db2.gz KSJURJCVNAVDQV-UHFFFAOYSA-N 0 0 367.390 2.849 20 10 FFCDRN CC[C@H]1CCCN(C(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC000839213195 1026621322 /nfs/dbraw/zinc/62/13/22/1026621322.db2.gz WGXMQLAEXNGFBH-FUHWJXTLSA-N 0 0 374.481 2.548 20 10 FFCDRN Cc1cc(C)cc(CN(C)C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000839219334 1026624012 /nfs/dbraw/zinc/62/40/12/1026624012.db2.gz HQRBLURKPIOBDE-UHFFFAOYSA-N 0 0 367.493 2.986 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2CC(=O)N(C)Cc1ccc(F)cc1 ZINC000839531185 1026717521 /nfs/dbraw/zinc/71/75/21/1026717521.db2.gz IZUCKNQVIIBLNU-UHFFFAOYSA-N 0 0 357.429 2.749 20 10 FFCDRN Cc1cc(C)nc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000839635392 1026767599 /nfs/dbraw/zinc/76/75/99/1026767599.db2.gz YBNGHKKZKJRYAJ-INIZCTEOSA-N 0 0 368.481 2.759 20 10 FFCDRN O=C(CN1CC[C@H](O)[C@@H](CO)C1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000839664513 1026781004 /nfs/dbraw/zinc/78/10/04/1026781004.db2.gz AXBXMPMPMCRMLE-BEFAXECRSA-N 0 0 368.437 2.716 20 10 FFCDRN Cc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)nc1C ZINC000839800334 1026831678 /nfs/dbraw/zinc/83/16/78/1026831678.db2.gz RORNSHOKYOGFRF-UHFFFAOYSA-N 0 0 361.392 2.743 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(CNC(N)=O)cc1 ZINC000839913076 1026863492 /nfs/dbraw/zinc/86/34/92/1026863492.db2.gz JWSHSKNWDXLTFS-HNNXBMFYSA-N 0 0 368.481 2.590 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1Cc2ccccc2C(=O)O1 ZINC000839915645 1026864300 /nfs/dbraw/zinc/86/43/00/1026864300.db2.gz JAHFBEONAVWGCN-MGPUTAFESA-N 0 0 366.461 2.890 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000839921042 1026867420 /nfs/dbraw/zinc/86/74/20/1026867420.db2.gz GRNBXVDJDPZIAK-HOCLYGCPSA-N 0 0 371.447 2.992 20 10 FFCDRN COc1cccc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000840276964 1027030577 /nfs/dbraw/zinc/03/05/77/1027030577.db2.gz OYUOWACUDBDJFC-OAHLLOKOSA-N 0 0 356.470 2.895 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@H]3CCC[C@@H](CO)C3)CC2)cc1 ZINC000840283037 1027032276 /nfs/dbraw/zinc/03/22/76/1027032276.db2.gz JNDISPHZBZXZFY-WBVHZDCISA-N 0 0 361.486 2.514 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000840292371 1027036735 /nfs/dbraw/zinc/03/67/35/1027036735.db2.gz QLAOKIBRPLAONM-GJZGRUSLSA-N 0 0 370.501 2.590 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ncccc1N(C)C ZINC000840374980 1027063595 /nfs/dbraw/zinc/06/35/95/1027063595.db2.gz DSSWCRQYLLJWOW-INIZCTEOSA-N 0 0 369.513 2.952 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1cc(N2CCOCC2)ncn1 ZINC000840383923 1027065285 /nfs/dbraw/zinc/06/52/85/1027065285.db2.gz BDMBKPMCLYTQEG-MRXNPFEDSA-N 0 0 355.486 2.731 20 10 FFCDRN COC(=O)[C@]1(C)CCN(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840478783 1027088277 /nfs/dbraw/zinc/08/82/77/1027088277.db2.gz IQOLEWIKSWWBDV-MGPUTAFESA-N 0 0 361.486 2.587 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1CC[C@](O)(C(F)(F)F)C1 ZINC000840480656 1027088891 /nfs/dbraw/zinc/08/88/91/1027088891.db2.gz XQBNZQDCPYDBTK-CXAGYDPISA-N 0 0 373.419 2.701 20 10 FFCDRN CN(C)c1nccnc1N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001158870040 1027166387 /nfs/dbraw/zinc/16/63/87/1027166387.db2.gz JNZHFEDRZSRGGE-UHFFFAOYSA-N 0 0 367.375 2.768 20 10 FFCDRN O=C(CNc1nc(Cl)nc2[nH]cc(Cl)c21)c1ccc(O)c(O)c1 ZINC001159272343 1027329540 /nfs/dbraw/zinc/32/95/40/1027329540.db2.gz LDLNWOSZYXILRF-UHFFFAOYSA-N 0 0 353.165 2.971 20 10 FFCDRN O=C(CNc1cncc(OCc2ccccc2)n1)c1ccc(O)c(O)c1 ZINC001159276779 1027333327 /nfs/dbraw/zinc/33/33/27/1027333327.db2.gz LRBZJYHDZBAULK-UHFFFAOYSA-N 0 0 351.362 2.762 20 10 FFCDRN COc1ccccc1-c1ccc(NCC(=O)c2ccc(O)c(O)c2)nn1 ZINC001159280149 1027335591 /nfs/dbraw/zinc/33/55/91/1027335591.db2.gz CBRODLBEQDFIFR-UHFFFAOYSA-N 0 0 351.362 2.858 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC[C@]2(CO)c2ccccc2)cc1 ZINC001159664799 1027461799 /nfs/dbraw/zinc/46/17/99/1027461799.db2.gz HLCSWUCCMKGLRJ-IBGZPJMESA-N 0 0 352.394 2.973 20 10 FFCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)c1c[nH]c2ncncc12 ZINC001152897670 1027711957 /nfs/dbraw/zinc/71/19/57/1027711957.db2.gz YAHOKTJGMAMVEB-VFAOWXJVSA-N 0 0 358.365 2.877 20 10 FFCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)c1[nH]nc2cccnc21 ZINC001153144417 1027785802 /nfs/dbraw/zinc/78/58/02/1027785802.db2.gz OLIIUHNWJDTPBT-JTACWURUSA-N 0 0 358.365 2.925 20 10 FFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1[nH]nc2cccnc21 ZINC001153169167 1027790607 /nfs/dbraw/zinc/79/06/07/1027790607.db2.gz MDBZFILBZMFLGG-UHFFFAOYSA-N 0 0 353.769 2.795 20 10 FFCDRN CCC[C@H]1C(=O)NCCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001153540066 1027921931 /nfs/dbraw/zinc/92/19/31/1027921931.db2.gz TVZJIOBGDHXMOF-SFHVURJKSA-N 0 0 357.429 2.974 20 10 FFCDRN O=C(CCNC(=O)c1ccc2ccccc2c1)NCc1cccc(O)c1O ZINC001153791724 1027995907 /nfs/dbraw/zinc/99/59/07/1027995907.db2.gz HKOPTNYCZYMVSX-UHFFFAOYSA-N 0 0 364.401 2.687 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCc2nc(-c3ccccc3)no2)cc1 ZINC001153931631 1028074818 /nfs/dbraw/zinc/07/48/18/1028074818.db2.gz VKOAZMNABXGMMM-UHFFFAOYSA-N 0 0 350.338 2.829 20 10 FFCDRN CCOc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001154027219 1028117488 /nfs/dbraw/zinc/11/74/88/1028117488.db2.gz RXWWDMHGYKCKRY-NSHDSACASA-N 0 0 360.366 2.766 20 10 FFCDRN Cc1cc(NC(=O)c2cc3cc(O)c(O)cc3oc2=O)n(C2CCC2)n1 ZINC001155222160 1028632020 /nfs/dbraw/zinc/63/20/20/1028632020.db2.gz LNZGEIAIHPYZMV-UHFFFAOYSA-N 0 0 355.350 2.686 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CC(=O)N(C)C2=O)c(C)n1-c1cccc(C(C)C)c1 ZINC001155656105 1028837719 /nfs/dbraw/zinc/83/77/19/1028837719.db2.gz HVFBNUWWCMXSMY-SFHVURJKSA-N 0 0 367.449 2.705 20 10 FFCDRN Cc1ccc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1O ZINC000780918797 1028868108 /nfs/dbraw/zinc/86/81/08/1028868108.db2.gz BWUWAGOTNBHVPP-UHFFFAOYSA-N 0 0 364.442 2.783 20 10 FFCDRN Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000780922905 1028871385 /nfs/dbraw/zinc/87/13/85/1028871385.db2.gz VDJHRTMADLVABL-HNNXBMFYSA-N 0 0 372.446 2.868 20 10 FFCDRN C[C@H](NC(=O)[C@]1(Cc2ccccc2)CCN(C)C1=O)c1ccccc1O ZINC000827960089 1028920534 /nfs/dbraw/zinc/92/05/34/1028920534.db2.gz IXAQHGNCUZHDQF-YCRPNKLZSA-N 0 0 352.434 2.661 20 10 FFCDRN CN(C)/C=C/c1cc(N2CCCc3cc(O)c(O)cc3C2)ncc1[N+](=O)[O-] ZINC001155945240 1028985976 /nfs/dbraw/zinc/98/59/76/1028985976.db2.gz RNLIJMSVOFNXQU-FNORWQNLSA-N 0 0 370.409 2.886 20 10 FFCDRN CC(C)(C)c1nnc2cc(C(=O)N3CCc4cccc(O)c4C3)ccn21 ZINC001156382860 1029172699 /nfs/dbraw/zinc/17/26/99/1029172699.db2.gz WQAMZEMVWBDUHB-UHFFFAOYSA-N 0 0 350.422 2.931 20 10 FFCDRN Nc1n[nH]c2cccc(C(=O)NCc3cc(Cl)c4cccnc4c3O)c12 ZINC001156747971 1029331313 /nfs/dbraw/zinc/33/13/13/1029331313.db2.gz QTPCHFDQLBDZIT-UHFFFAOYSA-N 0 0 367.796 2.982 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CCO)C(C)(C)C2)cc1 ZINC000781676907 1029340989 /nfs/dbraw/zinc/34/09/89/1029340989.db2.gz MEPOQNXHAVUUMC-UHFFFAOYSA-N 0 0 355.482 2.623 20 10 FFCDRN CCOC(=O)Cc1nc(Cl)cc(N(C)Cc2ccc(N(C)C)cc2)n1 ZINC001156923909 1029406703 /nfs/dbraw/zinc/40/67/03/1029406703.db2.gz JYLCKSFGLOXIBY-UHFFFAOYSA-N 0 0 362.861 2.938 20 10 FFCDRN CCOC(=O)c1cc(Cl)nc(NCCc2cc(O)c(O)cc2O)c1C ZINC001157246109 1029520213 /nfs/dbraw/zinc/52/02/13/1029520213.db2.gz QBAVJOBPHIZNOG-UHFFFAOYSA-N 0 0 366.801 2.992 20 10 FFCDRN O=C(Cc1csc(-c2cccnc2)n1)OCC(=O)c1ccc(O)c(O)c1 ZINC000782135557 1029585323 /nfs/dbraw/zinc/58/53/23/1029585323.db2.gz KZPNZOQDEXLGGX-UHFFFAOYSA-N 0 0 370.386 2.585 20 10 FFCDRN COCc1cc(N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)ncn1 ZINC000782151138 1029590980 /nfs/dbraw/zinc/59/09/80/1029590980.db2.gz WEXSTANINLWRJV-LJQANCHMSA-N 0 0 356.470 2.875 20 10 FFCDRN Cc1cc2c(c(NCc3cc(Cl)c4cccnc4c3O)n1)C(=O)NC2=O ZINC001157726297 1029652232 /nfs/dbraw/zinc/65/22/32/1029652232.db2.gz JIZNUQPZKUIYCN-UHFFFAOYSA-N 0 0 368.780 2.793 20 10 FFCDRN C[C@H](NC(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000827964896 1029696245 /nfs/dbraw/zinc/69/62/45/1029696245.db2.gz ZMDKHGCMBAHIGX-UONOGXRCSA-N 0 0 364.442 2.595 20 10 FFCDRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000782784167 1029819192 /nfs/dbraw/zinc/81/91/92/1029819192.db2.gz SRUGSKDRRAKWPQ-ABAIWWIYSA-N 0 0 369.373 2.732 20 10 FFCDRN O=C([O-])C[N@H+](CCc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000840995226 1029967379 /nfs/dbraw/zinc/96/73/79/1029967379.db2.gz WFWIJOXQGIUJJO-UHFFFAOYSA-N 0 0 354.450 2.653 20 10 FFCDRN C[C@H](O)C[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000783207293 1029972449 /nfs/dbraw/zinc/97/24/49/1029972449.db2.gz ZUIUYCJQHIEXHL-STQMWFEESA-N 0 0 371.428 2.715 20 10 FFCDRN O=C(COC(=O)c1cnc(-c2ccccc2)nc1)c1ccc(O)c(O)c1 ZINC000783236872 1029984097 /nfs/dbraw/zinc/98/40/97/1029984097.db2.gz XSOTZQSMWYBYHY-UHFFFAOYSA-N 0 0 350.330 2.595 20 10 FFCDRN CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(OCc2ccccc2)cc1 ZINC000841023090 1029984057 /nfs/dbraw/zinc/98/40/57/1029984057.db2.gz JAQMUSUWYUWXNI-LJQANCHMSA-N 0 0 367.493 2.899 20 10 FFCDRN Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)C(=O)Nc3ccc(N)cc3)nc2c1 ZINC000841055829 1030008062 /nfs/dbraw/zinc/00/80/62/1030008062.db2.gz XPXCSNJAXQGVJQ-KRWDZBQOSA-N 0 0 363.421 2.756 20 10 FFCDRN CCCn1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000783315685 1030027583 /nfs/dbraw/zinc/02/75/83/1030027583.db2.gz GVKXQMDXHSVNNS-UHFFFAOYSA-N 0 0 371.485 2.735 20 10 FFCDRN CNc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000841099757 1030035065 /nfs/dbraw/zinc/03/50/65/1030035065.db2.gz XIVQWHRIRIBNKE-UHFFFAOYSA-N 0 0 369.469 2.565 20 10 FFCDRN Cc1cc(N2CCSCC2)ccc1NC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841102139 1030040132 /nfs/dbraw/zinc/04/01/32/1030040132.db2.gz DCYUCBLSVLWKOK-UHFFFAOYSA-N 0 0 370.478 2.708 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N[C@@H]2CCCc3cn(C4CCCC4)nc32)cc1 ZINC000841114393 1030049244 /nfs/dbraw/zinc/04/92/44/1030049244.db2.gz KAMHBKNAOFHBEL-QGZVFWFLSA-N 0 0 367.453 2.713 20 10 FFCDRN CC1(C)CN(C(=O)C(=O)NCCc2ccc(N)cc2)c2cccc(Cl)c21 ZINC000841175248 1030094254 /nfs/dbraw/zinc/09/42/54/1030094254.db2.gz RDVXNQGWEWTPJK-UHFFFAOYSA-N 0 0 371.868 2.905 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2nc(-c3cccc(F)c3)no2)cc1 ZINC000783686239 1030233771 /nfs/dbraw/zinc/23/37/71/1030233771.db2.gz RPHBTPXQZFHTHT-UHFFFAOYSA-N 0 0 369.400 2.941 20 10 FFCDRN Cc1ccc(C(=O)N[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000783825754 1030293192 /nfs/dbraw/zinc/29/31/92/1030293192.db2.gz LZGBZVGRBWAESC-QWHCGFSZSA-N 0 0 364.442 2.972 20 10 FFCDRN C[C@@H](NC(=O)NCC(C)(C)C1(O)CCOCC1)c1ccc(N(C)C)cc1 ZINC000841582482 1030348539 /nfs/dbraw/zinc/34/85/39/1030348539.db2.gz PKBQJGHBYUTOKF-OAHLLOKOSA-N 0 0 363.502 2.681 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H]1CCN(CC(F)F)C1 ZINC000841588530 1030351172 /nfs/dbraw/zinc/35/11/72/1030351172.db2.gz CEULSKZOPXVBST-GDBMZVCRSA-N 0 0 368.472 2.631 20 10 FFCDRN COC(=O)c1ccnc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000841686741 1030403633 /nfs/dbraw/zinc/40/36/33/1030403633.db2.gz SEXXIAYVVVRDBF-CQSZACIVSA-N 0 0 370.453 2.995 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(CC(C)C)c1C ZINC000784027460 1030425759 /nfs/dbraw/zinc/42/57/59/1030425759.db2.gz QNXICQAHKFTLTK-UHFFFAOYSA-N 0 0 372.469 2.930 20 10 FFCDRN CCn1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1=O ZINC000841731688 1030430807 /nfs/dbraw/zinc/43/08/07/1030430807.db2.gz YIURNBMJGSSITM-HNNXBMFYSA-N 0 0 370.453 2.588 20 10 FFCDRN Cc1ccc(C[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1C ZINC000841823316 1030487978 /nfs/dbraw/zinc/48/79/78/1030487978.db2.gz XFZVAHABIXUFPW-NRFANRHFSA-N 0 0 368.477 2.926 20 10 FFCDRN Nc1ccc(CCNC(=O)NCCOc2ccc(C(F)(F)F)cn2)cc1 ZINC000841859351 1030505236 /nfs/dbraw/zinc/50/52/36/1030505236.db2.gz KZEMCUOEDMUTTG-UHFFFAOYSA-N 0 0 368.359 2.603 20 10 FFCDRN CCNC(=O)c1cccnc1N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001166818800 1030533148 /nfs/dbraw/zinc/53/31/48/1030533148.db2.gz VKDSIOSHSDJHGX-UHFFFAOYSA-N 0 0 364.449 2.894 20 10 FFCDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1cn(-c2ccccc2)nn1 ZINC000784286433 1030554022 /nfs/dbraw/zinc/55/40/22/1030554022.db2.gz LGRLJOKUEPMSKI-FROQITRMSA-N 0 0 351.362 2.996 20 10 FFCDRN 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FFCDRN CC(C)Cn1c(-c2c[nH]n3ccnc23)nnc1N(C)Cc1ccccc1O ZINC001357864073 1056043150 /nfs/dbraw/zinc/04/31/50/1056043150.db2.gz FHTLYNDOGNMXKU-UHFFFAOYSA-N 0 0 365.441 2.919 20 10 FFCDRN COc1ccc(N2CCN(c3nnc(C4CC=CC4)n3C)CC2)c(OC)c1 ZINC001351018423 1056044476 /nfs/dbraw/zinc/04/44/76/1056044476.db2.gz CVDNYCRVOWAUDM-UHFFFAOYSA-N 0 0 369.469 2.593 20 10 FFCDRN CCc1c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)cnn1CC ZINC001351110350 1056091070 /nfs/dbraw/zinc/09/10/70/1056091070.db2.gz BYXWYPOGTNJURI-UHFFFAOYSA-N 0 0 356.470 2.827 20 10 FFCDRN COCCn1c(C2Sc3ncccc3C2=O)nnc1N1CC=CCC1 ZINC001358143446 1056159686 /nfs/dbraw/zinc/15/96/86/1056159686.db2.gz TVONSZLHPXZIRV-UHFFFAOYSA-N 0 0 357.439 2.673 20 10 FFCDRN CN(c1ccc(CNC(=O)[C@@]2(C)CCNC(=O)C2)cc1)C1CCCCC1 ZINC001544253165 1071619405 /nfs/dbraw/zinc/61/94/05/1071619405.db2.gz PUETUMZPVMIZBW-NRFANRHFSA-N 0 0 357.498 2.988 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)c1 ZINC001358452345 1056318572 /nfs/dbraw/zinc/31/85/72/1056318572.db2.gz REFIDZWDAJWMMV-UHFFFAOYSA-N 0 0 353.344 2.721 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](C)N1CCc2ccccc21 ZINC000847695893 1056386273 /nfs/dbraw/zinc/38/62/73/1056386273.db2.gz IMTMGWIWFFQRFK-HUUCEWRRSA-N 0 0 354.450 2.986 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](O)C2(C)C)CCCC1 ZINC001544433525 1071643174 /nfs/dbraw/zinc/64/31/74/1071643174.db2.gz JGHDKYXQLWAKJC-LJQANCHMSA-N 0 0 356.466 2.901 20 10 FFCDRN COC(=O)[C@@H](N[C@@H]1CCN(c2ccc(OC)cc2)C1)c1ccccc1F ZINC000849321460 1056826568 /nfs/dbraw/zinc/82/65/68/1056826568.db2.gz FTANOJABQKYAQB-KUHUBIRLSA-N 0 0 358.413 2.917 20 10 FFCDRN COc1cccc([C@@H]2NC(=O)N(Cc3ccc(N(C)C)cc3C)C2=O)c1 ZINC000849355645 1056840248 /nfs/dbraw/zinc/84/02/48/1056840248.db2.gz NVRUIQHYHCJYKJ-SFHVURJKSA-N 0 0 353.422 2.863 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3cc4ccccc4o3)C2)cc1 ZINC000849416200 1056848692 /nfs/dbraw/zinc/84/86/92/1056848692.db2.gz MDFTXCZEQYJTLE-HNNXBMFYSA-N 0 0 372.446 2.999 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc4c(c3)CCC4)C2)cc1 ZINC000849416280 1056848730 /nfs/dbraw/zinc/84/87/30/1056848730.db2.gz NXSLYOKWGSTUJT-QGZVFWFLSA-N 0 0 372.490 2.741 20 10 FFCDRN Cc1nnc(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)s1 ZINC001518578598 1058426384 /nfs/dbraw/zinc/42/63/84/1058426384.db2.gz BCFVWCIGKNJONP-UHFFFAOYSA-N 0 0 356.455 2.857 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC(=O)NCc2ccc(O)c(O)c2)C1 ZINC001445899623 1058454822 /nfs/dbraw/zinc/45/48/22/1058454822.db2.gz HHRIWWRBSBACFP-GXTWGEPZSA-N 0 0 364.442 2.798 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1noc2c1CCc1ccccc1-2 ZINC001445937953 1058459493 /nfs/dbraw/zinc/45/94/93/1058459493.db2.gz LAZZPZZTSZMRAU-UHFFFAOYSA-N 0 0 350.374 2.824 20 10 FFCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(C)C1 ZINC001446807358 1058556766 /nfs/dbraw/zinc/55/67/66/1058556766.db2.gz UAULMBLGAORZGG-MAUKXSAKSA-N 0 0 352.434 2.960 20 10 FFCDRN CCc1nnc(N2CCCO[C@@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001513905536 1058659371 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CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1CC(F)(F)F ZINC001503487175 1059035088 /nfs/dbraw/zinc/03/50/88/1059035088.db2.gz IBVYRFYWUQNADJ-UHFFFAOYSA-N 0 0 366.347 2.583 20 10 FFCDRN COCCn1c(-c2ccc(C)nc2)nnc1N(C)Cc1ccccc1O ZINC001514785784 1059093666 /nfs/dbraw/zinc/09/36/66/1059093666.db2.gz BMFGYBWEXCFXKI-UHFFFAOYSA-N 0 0 353.426 2.637 20 10 FFCDRN Cc1[nH][nH]c(=O)c1CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001472697596 1059104196 /nfs/dbraw/zinc/10/41/96/1059104196.db2.gz MDEBTIPSWGPUFR-OAHLLOKOSA-N 0 0 366.377 2.750 20 10 FFCDRN CC1(C)CCC[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC001451529760 1059124410 /nfs/dbraw/zinc/12/44/10/1059124410.db2.gz WCZPRCATKSRFHA-GFCCVEGCSA-N 0 0 354.472 2.710 20 10 FFCDRN O=C(NCc1c(O)cccc1F)C(=O)Nc1cccc(COCC2CC2)c1 ZINC001354551152 1059148939 /nfs/dbraw/zinc/14/89/39/1059148939.db2.gz QEKJGJRDIOFGFS-UHFFFAOYSA-N 0 0 372.396 2.713 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc3nc[nH]c(=O)c32)cc1 ZINC001452836592 1059305428 /nfs/dbraw/zinc/30/54/28/1059305428.db2.gz NSMXTZVYKUEJPV-UHFFFAOYSA-N 0 0 366.421 2.552 20 10 FFCDRN O=C(COc1ccc2ccc(=O)oc2c1)NCc1cc(Cl)ccc1O ZINC001452948434 1059317599 /nfs/dbraw/zinc/31/75/99/1059317599.db2.gz XPTWWVHWNAIKJU-UHFFFAOYSA-N 0 0 359.765 2.847 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nc1 ZINC001515362601 1059616514 /nfs/dbraw/zinc/61/65/14/1059616514.db2.gz QVNVTJFFMNGTEY-UHFFFAOYSA-N 0 0 366.465 2.977 20 10 FFCDRN CCOC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2O)cc([N+](=O)[O-])c1 ZINC001454799207 1059628822 /nfs/dbraw/zinc/62/88/22/1059628822.db2.gz SVOQWHNFOODBJI-LLVKDONJSA-N 0 0 358.350 2.968 20 10 FFCDRN C[C@@H](NC(=O)c1cc(Br)c(C=O)n1C)c1ccccc1O ZINC001454808760 1059629753 /nfs/dbraw/zinc/62/97/53/1059629753.db2.gz XCDDDMDCJWGPQO-SECBINFHSA-N 0 0 351.200 2.797 20 10 FFCDRN Cc1cc(C(=O)NCc2nnn(C(C)(C)C)n2)c(C)n1-c1ccc(F)cc1 ZINC000848297209 1059635829 /nfs/dbraw/zinc/63/58/29/1059635829.db2.gz YUGGMKVLBOFUII-UHFFFAOYSA-N 0 0 370.432 2.905 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1cnc2ncc(Br)cc2c1 ZINC001455357973 1059770766 /nfs/dbraw/zinc/77/07/66/1059770766.db2.gz YZHJHQBMDIFEOV-UHFFFAOYSA-N 0 0 374.194 2.734 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](O)Cc2ccc(F)cc2)c(C)n1-c1ccccn1 ZINC001455851051 1059936759 /nfs/dbraw/zinc/93/67/59/1059936759.db2.gz LBLRVYMUKUBRLB-GOSISDBHSA-N 0 0 367.424 2.962 20 10 FFCDRN CCn1ncc(Br)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC001520709880 1059983852 /nfs/dbraw/zinc/98/38/52/1059983852.db2.gz LNYVECRIFLFMQK-UHFFFAOYSA-N 0 0 351.248 2.662 20 10 FFCDRN O=C(NCc1c(O)cccc1F)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC001456093811 1060009764 /nfs/dbraw/zinc/00/97/64/1060009764.db2.gz OHJMGRQQOKSUEU-NSHDSACASA-N 0 0 362.788 2.854 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCc3cc(C)c[nH]c3=O)CC2)cc1 ZINC001355278769 1060066550 /nfs/dbraw/zinc/06/65/50/1060066550.db2.gz GMLFMBCAMGHEGT-UHFFFAOYSA-N 0 0 370.453 2.526 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1CC1(C)CC1 ZINC001517146572 1060368680 /nfs/dbraw/zinc/36/86/80/1060368680.db2.gz FYYMCZLNHFGCHG-UHFFFAOYSA-N 0 0 369.469 2.543 20 10 FFCDRN CN(C)c1ccc(C[NH2+][C@@H](Cc2ccncc2)C(=O)[O-])c(C(F)(F)F)c1 ZINC000848638651 1060384826 /nfs/dbraw/zinc/38/48/26/1060384826.db2.gz AQBRHFWEUWDTTB-INIZCTEOSA-N 0 0 367.371 2.952 20 10 FFCDRN CCOCCN(CC)c1nnc(C2SC=CC2=O)n1C[C@H]1CCCO1 ZINC001517670939 1060587745 /nfs/dbraw/zinc/58/77/45/1060587745.db2.gz PJCBCHOEDJPNEI-CYBMUJFWSA-N 0 0 366.487 2.754 20 10 FFCDRN O=S(=O)(c1cc2nc(Cl)ncc2s1)N1Cc2cccc(O)c2C1 ZINC001475608480 1061163010 /nfs/dbraw/zinc/16/30/10/1061163010.db2.gz OVYAIECRWZLILD-UHFFFAOYSA-N 0 0 367.839 2.755 20 10 FFCDRN CC(C)c1ncc(Br)c(C(=O)NCc2cccc(O)c2O)n1 ZINC001521852666 1061169000 /nfs/dbraw/zinc/16/90/00/1061169000.db2.gz YSVRUMJJKYGMGB-UHFFFAOYSA-N 0 0 366.215 2.704 20 10 FFCDRN COc1ccc(CNCc2cn3ccsc3n2)cc1Cn1cccn1 ZINC001461116184 1061216044 /nfs/dbraw/zinc/21/60/44/1061216044.db2.gz PCWVUYKVJDYJMB-UHFFFAOYSA-N 0 0 353.451 2.939 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H]3CC(=O)Nc4ccccc43)C2)cc1 ZINC001461493827 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FFCDRN COc1ccc(N2CC[C@H](NC(=O)COc3ccc(F)c(F)c3)C2)cc1 ZINC001528317272 1061858208 /nfs/dbraw/zinc/85/82/08/1061858208.db2.gz DVZITGTURQOAKC-ZDUSSCGKSA-N 0 0 362.376 2.747 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3cn(-c4ccccc4)cn3)C2)cc1 ZINC001528318186 1061859616 /nfs/dbraw/zinc/85/96/16/1061859616.db2.gz SDINMQCHXJLMCZ-INIZCTEOSA-N 0 0 362.433 2.890 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc2c1OCCC2 ZINC001463072415 1061923314 /nfs/dbraw/zinc/92/33/14/1061923314.db2.gz OUAHDWPDHUZLQV-UHFFFAOYSA-N 0 0 360.479 2.865 20 10 FFCDRN O=C(NCCc1nnc(-c2ccccc2)o1)N1Cc2cccc(O)c2C1 ZINC001478263771 1061955614 /nfs/dbraw/zinc/95/56/14/1061955614.db2.gz YFIUWFAIEAFJBV-UHFFFAOYSA-N 0 0 350.378 2.710 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC[N@H+](C)C[C@H]3CC(C)C)C2)cc1 ZINC001478957750 1062161334 /nfs/dbraw/zinc/16/13/34/1062161334.db2.gz SDQFOKMBJWLKBJ-PKOBYXMFSA-N 0 0 374.529 2.646 20 10 FFCDRN Cc1cc(Cn2c(C(C)C)nnc2N(C)Cc2ccccc2O)n(C)n1 ZINC001492724137 1062186469 /nfs/dbraw/zinc/18/64/69/1062186469.db2.gz MDXNQAKCAFEFGV-UHFFFAOYSA-N 0 0 354.458 2.834 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cnc3ccnn3c2C(F)F)cc1F ZINC001434914382 1062351886 /nfs/dbraw/zinc/35/18/86/1062351886.db2.gz AXBUQVDGMNAJQE-UHFFFAOYSA-N 0 0 363.343 2.802 20 10 FFCDRN CC(C)N(C)C(=O)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC001464121134 1062435177 /nfs/dbraw/zinc/43/51/77/1062435177.db2.gz FHIXJAPHFPFXLD-UHFFFAOYSA-N 0 0 359.430 2.568 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC001464413701 1062598969 /nfs/dbraw/zinc/59/89/69/1062598969.db2.gz AXORKSDYYIYHPK-FQEVSTJZSA-N 0 0 355.390 2.679 20 10 FFCDRN COc1cccc(O)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC001464527412 1062666143 /nfs/dbraw/zinc/66/61/43/1062666143.db2.gz HZPJVWHMXNIKQD-AWEZNQCLSA-N 0 0 356.422 2.728 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccncc3N3CCCC3)C2)cc1 ZINC001531729964 1062863835 /nfs/dbraw/zinc/86/38/35/1062863835.db2.gz NKBOGIZDXMRUCH-MRXNPFEDSA-N 0 0 366.465 2.699 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\c1ccncc1C ZINC001546152068 1062982208 /nfs/dbraw/zinc/98/22/08/1062982208.db2.gz RCBRJBYADYJFQZ-UTCJRWHESA-N 0 0 374.824 2.964 20 10 FFCDRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1O ZINC001465206281 1063007125 /nfs/dbraw/zinc/00/71/25/1063007125.db2.gz CXSDNOHHHPEMJM-GOSISDBHSA-N 0 0 352.431 2.767 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cccc(S(=O)(=O)C(F)F)c2)cc1 ZINC001524861668 1063024678 /nfs/dbraw/zinc/02/46/78/1063024678.db2.gz MYWRBSLDWOVEGH-UHFFFAOYSA-N 0 0 368.405 2.679 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3N)CC2)cc1 ZINC001545931430 1063300989 /nfs/dbraw/zinc/30/09/89/1063300989.db2.gz IKEBQIUZHYIDRI-UHFFFAOYSA-N 0 0 370.409 2.538 20 10 FFCDRN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC001533856041 1063427793 /nfs/dbraw/zinc/42/77/93/1063427793.db2.gz GDVCKNUHUQXYQY-WPGHFRTFSA-N 0 0 371.441 2.520 20 10 FFCDRN Cc1cc(C(=O)N[C@H](CO)[C@H]2CCOC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001466515542 1063463710 /nfs/dbraw/zinc/46/37/10/1063463710.db2.gz GHNJOSZATRNTOA-FXAWDEMLSA-N 0 0 356.466 2.838 20 10 FFCDRN Cc1[nH]c(=O)ccc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001441786373 1063473791 /nfs/dbraw/zinc/47/37/91/1063473791.db2.gz QDSINFGCGGWJDR-BETUJISGSA-N 0 0 373.428 2.778 20 10 FFCDRN Cc1cc(C)n2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2n1 ZINC001442232528 1063512057 /nfs/dbraw/zinc/51/20/57/1063512057.db2.gz JLUJHEFUDWZJBB-UHFFFAOYSA-N 0 0 364.449 2.718 20 10 FFCDRN Cc1ccc(N2CC[C@H](NC(=O)NCc3cccc(Cl)c3O)C2=O)cc1 ZINC001468878359 1064053329 /nfs/dbraw/zinc/05/33/29/1064053329.db2.gz FFAICTYEZAHQIP-INIZCTEOSA-N 0 0 373.840 2.959 20 10 FFCDRN O=C(NCC[S@](=O)Cc1ccccc1)NCc1cccc(Cl)c1O ZINC001468985223 1064071028 /nfs/dbraw/zinc/07/10/28/1064071028.db2.gz LOEKGOJYKCZBFS-DEOSSOPVSA-N 0 0 366.870 2.794 20 10 FFCDRN C[C@H](CO[C@H]1CCOC1)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001469355600 1064134276 /nfs/dbraw/zinc/13/42/76/1064134276.db2.gz VAGVPTRFBHNZCZ-APWZRJJASA-N 0 0 361.486 2.622 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cccnc2N2CCCC2)cc1 ZINC001470019312 1064244624 /nfs/dbraw/zinc/24/46/24/1064244624.db2.gz FHDHHAFKANEXMC-UHFFFAOYSA-N 0 0 352.398 2.774 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCOC[C@@H]1c1cc(F)cc(F)c1 ZINC001470147013 1064263681 /nfs/dbraw/zinc/26/36/81/1064263681.db2.gz QSSPHPOXOSXTDA-WPTTZPOMSA-N 0 0 361.344 2.989 20 10 FFCDRN C[C@@](CO)(Cc1ccccc1F)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001470703544 1064417088 /nfs/dbraw/zinc/41/70/88/1064417088.db2.gz WDCPYIMJZCRXMR-SFHVURJKSA-N 0 0 358.373 2.712 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCO[C@](C)(C(=O)Oc2ccc(N)cc2)C1 ZINC001575213831 1078118073 /nfs/dbraw/zinc/11/80/73/1078118073.db2.gz BTSIRYNIQXHLMX-ACJLOTCBSA-N 0 0 350.415 2.637 20 10 FFCDRN CCOC(=O)CC1(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)COC1 ZINC001472234225 1064980271 /nfs/dbraw/zinc/98/02/71/1064980271.db2.gz ZIJMLZLNEHAMFM-UHFFFAOYSA-N 0 0 370.449 2.855 20 10 FFCDRN CCN(CC)c1ccc(CNc2ncnc(C(=O)OC)c2OC)cc1F ZINC001472691587 1065128330 /nfs/dbraw/zinc/12/83/30/1065128330.db2.gz RZFPCOVPTJXKPB-UHFFFAOYSA-N 0 0 362.405 2.869 20 10 FFCDRN COc1ccc(N(CC(=O)NC(=O)NCc2ccccc2)CC2CC2)cc1 ZINC001473486207 1065272879 /nfs/dbraw/zinc/27/28/79/1065272879.db2.gz SFCWIBNDNQCUEJ-UHFFFAOYSA-N 0 0 367.449 2.938 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@]2(N(C)C)CCSC2)c1 ZINC001474034259 1065443247 /nfs/dbraw/zinc/44/32/47/1065443247.db2.gz PHQSAZFULFCFLX-HNNXBMFYSA-N 0 0 359.333 2.990 20 10 FFCDRN CC(C)(C)c1nc(CN2CCN(Cc3cc(F)c(F)cc3O)CC2)no1 ZINC001474323622 1065494167 /nfs/dbraw/zinc/49/41/67/1065494167.db2.gz GLNHDNOODJZUIA-UHFFFAOYSA-N 0 0 366.412 2.669 20 10 FFCDRN C[C@@H](c1ccccc1)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC001576310553 1078214859 /nfs/dbraw/zinc/21/48/59/1078214859.db2.gz KMXVBAIRDJTKJY-KRWDZBQOSA-N 0 0 352.482 2.900 20 10 FFCDRN CCCN(Cc1cc(Cl)cc(OC)c1O)[C@@H](COC)C(=O)OCC ZINC001474442825 1065524596 /nfs/dbraw/zinc/52/45/96/1065524596.db2.gz QSJBCBMRPUBGSK-AWEZNQCLSA-N 0 0 359.850 2.844 20 10 FFCDRN CCOC(=O)CN(Cc1cc(C(=O)OCC)c(C)[nH]1)Cc1ccccc1O ZINC001474591870 1065556565 /nfs/dbraw/zinc/55/65/65/1065556565.db2.gz BTRWOPGWXXODGX-UHFFFAOYSA-N 0 0 374.437 2.771 20 10 FFCDRN CCC1CCN(S(=O)(=O)NCc2ccc(N(CC)CC)cc2)CC1 ZINC001474852827 1065626063 /nfs/dbraw/zinc/62/60/63/1065626063.db2.gz SSBOUFLXQBOCHZ-UHFFFAOYSA-N 0 0 353.532 2.989 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)C[C@@H]2CC3(CCC3)CO2)cc1 ZINC001474851861 1065626564 /nfs/dbraw/zinc/62/65/64/1065626564.db2.gz GMMXTRZGTMXIFO-SFHVURJKSA-N 0 0 366.527 2.911 20 10 FFCDRN Cc1cc(CCNC(=O)OCCc2cn[nH]n2)c(C)n1-c1ccccc1 ZINC001577321111 1078337760 /nfs/dbraw/zinc/33/77/60/1078337760.db2.gz NARYAMRYDCMIQA-UHFFFAOYSA-N 0 0 353.426 2.724 20 10 FFCDRN CN1C(=O)C[C@H](NC(=O)Nc2ccc(N)cc2)[C@H]1c1ccc(F)c(F)c1 ZINC001578514848 1078487260 /nfs/dbraw/zinc/48/72/60/1078487260.db2.gz VPHSWMOSXQJHOQ-DOTOQJQBSA-N 0 0 360.364 2.641 20 10 FFCDRN COC(=O)[C@@]1(NC(=O)Cc2ccc(N)cc2)CC[C@H](C)c2ccccc21 ZINC001578780959 1078528821 /nfs/dbraw/zinc/52/88/21/1078528821.db2.gz KQQKLFKVBDXIDH-LHSJRXKWSA-N 0 0 352.434 2.893 20 10 FFCDRN Cc1c(C(=O)N(C)c2ccc(N)cc2)nnn1-c1ccc2ncccc2c1 ZINC001579519735 1078638901 /nfs/dbraw/zinc/63/89/01/1078638901.db2.gz VOPCMLLNJOQZKO-UHFFFAOYSA-N 0 0 358.405 2.983 20 10 FFCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001580708303 1078849504 /nfs/dbraw/zinc/84/95/04/1078849504.db2.gz MRWWADBPBXOKIP-GFCCVEGCSA-N 0 0 357.159 2.857 20 10 FFCDRN Cc1cc(C(=O)NCc2cccc(Cl)c2O)cc(C)c1-c1nn[nH]n1 ZINC001580870751 1078880623 /nfs/dbraw/zinc/88/06/23/1078880623.db2.gz NONSYRPURPMDJL-UHFFFAOYSA-N 0 0 357.801 2.773 20 10 FFCDRN Cc1cc(NCc2ccc(N(C)C)cc2)c(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001581034259 1078908515 /nfs/dbraw/zinc/90/85/15/1078908515.db2.gz WEZCJSKHWXMCFX-UHFFFAOYSA-N 0 0 353.386 2.761 20 10 FFCDRN Cc1ncccc1C=CC(=O)N(C)c1cc(Cl)ccc1-c1nn[nH]n1 ZINC001581556861 1078979136 /nfs/dbraw/zinc/97/91/36/1078979136.db2.gz BMRXJXVOLIIUAV-YVMONPNESA-N 0 0 354.801 2.900 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cnc(-c4ccccn4)nc3)ccc21 ZINC001583628347 1079243259 /nfs/dbraw/zinc/24/32/59/1079243259.db2.gz UPFMPFAUVIPQBW-UHFFFAOYSA-N 0 0 359.433 2.851 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(C3CC3)[nH]c2=O)cc1 ZINC001583622374 1079241903 /nfs/dbraw/zinc/24/19/03/1079241903.db2.gz QSKXOBYJRMXTGM-UHFFFAOYSA-N 0 0 355.438 2.882 20 10 FFCDRN CN1CC[C@@](Cc2ccccc2)(C(=O)NCc2cc(Cl)ccc2O)C1=O ZINC001583821068 1079270119 /nfs/dbraw/zinc/27/01/19/1079270119.db2.gz STXLWAWPSHOCBW-HXUWFJFHSA-N 0 0 372.852 2.753 20 10 FFCDRN CC[C@H](C)[C@H](NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)C(N)=O ZINC001584344824 1079343390 /nfs/dbraw/zinc/34/33/90/1079343390.db2.gz OQUPCLIOUJDGJX-RBZFPXEDSA-N 0 0 371.481 2.545 20 10 FFCDRN CON(C)C(=O)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001584853399 1079397663 /nfs/dbraw/zinc/39/76/63/1079397663.db2.gz XBVRIUWMMZCRTD-UHFFFAOYSA-N 0 0 355.354 2.735 20 10 FFCDRN COc1ccc(Cn2nccc2NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001584858199 1079398312 /nfs/dbraw/zinc/39/83/12/1079398312.db2.gz GCGHRKABWDTBMC-UHFFFAOYSA-N 0 0 353.378 2.532 20 10 FFCDRN CC[C@@H]1[C@@H](NC(=O)c2ccc(C)c(O)c2O)CCN1C(=O)OC(C)(C)C ZINC001584893716 1079401882 /nfs/dbraw/zinc/40/18/82/1079401882.db2.gz HHVKCMWRYOANSY-UONOGXRCSA-N 0 0 364.442 2.924 20 10 FFCDRN Cc1cc(CC(=O)NC(C)(C)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC001585041310 1079418557 /nfs/dbraw/zinc/41/85/57/1079418557.db2.gz KLKBPAIZBKVCAH-UHFFFAOYSA-N 0 0 369.509 2.864 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N)c(OC(F)(F)F)c1 ZINC001556158263 1075709932 /nfs/dbraw/zinc/70/99/32/1075709932.db2.gz WGEHPUGOGLJYRX-SECBINFHSA-N 0 0 370.327 2.940 20 10 FFCDRN COc1ccc([C@H](O)C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001556757306 1075772635 /nfs/dbraw/zinc/77/26/35/1075772635.db2.gz RBQQILPQTDIUKB-NRFANRHFSA-N 0 0 371.433 2.621 20 10 FFCDRN O=C(CCCc1nc(-c2cccs2)no1)NCc1ccc(O)cc1O ZINC001557084749 1075806215 /nfs/dbraw/zinc/80/62/15/1075806215.db2.gz MVCMLASRWOCUEY-UHFFFAOYSA-N 0 0 359.407 2.848 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1cc(C(F)(F)F)c[nH]c1=O ZINC001557124257 1075811412 /nfs/dbraw/zinc/81/14/12/1075811412.db2.gz XTHFTSOUNFRDQI-UHFFFAOYSA-N 0 0 363.295 2.990 20 10 FFCDRN C[C@H](NC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1O ZINC001557969390 1075919672 /nfs/dbraw/zinc/91/96/72/1075919672.db2.gz UEXHMUMOJUVBEY-VIFPVBQESA-N 0 0 368.220 2.701 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1c(Br)cccc1[N+](=O)[O-] ZINC001558162282 1075954052 /nfs/dbraw/zinc/95/40/52/1075954052.db2.gz YBLKMFKBQKIOBI-UHFFFAOYSA-N 0 0 367.155 2.699 20 10 FFCDRN Cc1nc(CC(F)(F)F)sc1CC(=O)NCc1cc(O)ccc1O ZINC001558175309 1075956723 /nfs/dbraw/zinc/95/67/23/1075956723.db2.gz LQINZBHTKMCNDA-UHFFFAOYSA-N 0 0 360.357 2.826 20 10 FFCDRN CC(C)(C)C(=O)NCc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001558174424 1075956765 /nfs/dbraw/zinc/95/67/65/1075956765.db2.gz MTYCGHNUOYGWGZ-UHFFFAOYSA-N 0 0 356.422 2.690 20 10 FFCDRN Cn1nc(C(F)(F)F)cc1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001558260784 1075968791 /nfs/dbraw/zinc/96/87/91/1075968791.db2.gz RZSCONUZFGOYIM-UHFFFAOYSA-N 0 0 371.340 2.995 20 10 FFCDRN CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2c(O)cccc2O)CCC1 ZINC001558535595 1076027772 /nfs/dbraw/zinc/02/77/72/1076027772.db2.gz KRXAXJZZFSSLMV-UHFFFAOYSA-N 0 0 350.415 2.504 20 10 FFCDRN CC(F)(F)CN1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001558586278 1076040166 /nfs/dbraw/zinc/04/01/66/1076040166.db2.gz JVPOOCUBQRFNKB-UHFFFAOYSA-N 0 0 356.394 2.726 20 10 FFCDRN O=C(NCc1ccncc1OCC(F)(F)F)c1c(F)ccc(O)c1O ZINC001558971373 1076108222 /nfs/dbraw/zinc/10/82/22/1076108222.db2.gz LLVURSSJXJUTAO-UHFFFAOYSA-N 0 0 360.263 2.503 20 10 FFCDRN COC(=O)c1cc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)ccc1N(C)C ZINC001559456844 1076162071 /nfs/dbraw/zinc/16/20/71/1076162071.db2.gz RFYOANKVATYLBB-GRDNDAEWSA-N 0 0 362.470 2.859 20 10 FFCDRN CCOC(=O)c1c(C)ccnc1COc1ccc(N(C)C)c(C(=O)OC)c1 ZINC001559456445 1076162344 /nfs/dbraw/zinc/16/23/44/1076162344.db2.gz CTXHZLBXDWUVRQ-UHFFFAOYSA-N 0 0 372.421 2.998 20 10 FFCDRN 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509214857 /nfs/dbraw/zinc/21/48/57/509214857.db2.gz WNJOZBZSECCFPM-UHFFFAOYSA-N 0 0 360.410 2.576 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000191886316 509231296 /nfs/dbraw/zinc/23/12/96/509231296.db2.gz DXZLRMXEQPVZFB-HNNXBMFYSA-N 0 0 374.506 2.909 20 10 FFCDRN Cc1cc(C(=O)N2CCn3cnnc3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000266883458 509238624 /nfs/dbraw/zinc/23/86/24/509238624.db2.gz CRVZBKSFOTWKRX-UHFFFAOYSA-N 0 0 355.829 2.995 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)nn1C ZINC000191982293 509276853 /nfs/dbraw/zinc/27/68/53/509276853.db2.gz DUAGWYNNFCWTRC-UHFFFAOYSA-N 0 0 365.275 2.911 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)Cc3noc4ccccc34)ccc21 ZINC000185740235 509331505 /nfs/dbraw/zinc/33/15/05/509331505.db2.gz QFPRTAZVXYGSET-UHFFFAOYSA-N 0 0 371.462 2.830 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000176191602 509369781 /nfs/dbraw/zinc/36/97/81/509369781.db2.gz MTNQNWSFRWDETF-UHFFFAOYSA-N 0 0 369.465 2.669 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnc(-c2cnn(C)c2)s1 ZINC000173187452 509443318 /nfs/dbraw/zinc/44/33/18/509443318.db2.gz DRNRRMMZXPQMBG-UHFFFAOYSA-N 0 0 369.450 2.649 20 10 FFCDRN CCS[C@@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000267360106 509466555 /nfs/dbraw/zinc/46/65/55/509466555.db2.gz PKKCBCXUKOQJRY-WCQYABFASA-N 0 0 372.512 2.558 20 10 FFCDRN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000176378830 509477790 /nfs/dbraw/zinc/47/77/90/509477790.db2.gz PQEHPGZCVOPVAO-KPNPRUKOSA-N 0 0 351.516 2.632 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186169086 509557235 /nfs/dbraw/zinc/55/72/35/509557235.db2.gz XKPKICRIXXJQJG-NXEZZACHSA-N 0 0 367.298 2.774 20 10 FFCDRN CC[C@@H](Nc1cccc(C(=O)NCCC(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000179802587 509625991 /nfs/dbraw/zinc/62/59/91/509625991.db2.gz IRGURNJTMXCYRP-LJQANCHMSA-N 0 0 368.481 2.921 20 10 FFCDRN Cc1nc(Cl)ccc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000192826159 509660404 /nfs/dbraw/zinc/66/04/04/509660404.db2.gz JZNPVENNZFANOC-UHFFFAOYSA-N 0 0 372.856 2.681 20 10 FFCDRN COc1ccc(O)c(CN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 ZINC000179971742 509694351 /nfs/dbraw/zinc/69/43/51/509694351.db2.gz CCXVXAVPZUYZEY-UHFFFAOYSA-N 0 0 365.433 2.840 20 10 FFCDRN CCCc1csc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000193013523 509737343 /nfs/dbraw/zinc/73/73/43/509737343.db2.gz JAIIYXSUCJCBSE-UHFFFAOYSA-N 0 0 370.478 2.727 20 10 FFCDRN Cc1nc(Cl)ccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000193044387 509750876 /nfs/dbraw/zinc/75/08/76/509750876.db2.gz FANVHLAWWZDPLJ-UHFFFAOYSA-N 0 0 373.840 2.883 20 10 FFCDRN Nc1ccc(CC(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000237913097 509771508 /nfs/dbraw/zinc/77/15/08/509771508.db2.gz VXMCZCDOUAJZGS-MRXNPFEDSA-N 0 0 374.282 2.969 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccc(OC(F)F)cc1 ZINC000183424623 509780938 /nfs/dbraw/zinc/78/09/38/509780938.db2.gz AVKVCROLFLWVHA-NSHDSACASA-N 0 0 351.349 2.989 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000183463741 509805039 /nfs/dbraw/zinc/80/50/39/509805039.db2.gz ZMHHJWWHHXFQQJ-LBPRGKRZSA-N 0 0 354.406 2.807 20 10 FFCDRN Cc1ccc(CNC(=O)NCc2ccccc2O)c(O[C@H]2CCOC2)c1 ZINC000268266897 509842953 /nfs/dbraw/zinc/84/29/53/509842953.db2.gz ZAYPUVGBGZYOGA-KRWDZBQOSA-N 0 0 356.422 2.868 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000265118693 509869631 /nfs/dbraw/zinc/86/96/31/509869631.db2.gz CBSDETURQJLVEL-NVXWUHKLSA-N 0 0 361.486 2.961 20 10 FFCDRN CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000265155880 509894902 /nfs/dbraw/zinc/89/49/02/509894902.db2.gz LMPNCKDCCDIAFL-ROUUACIJSA-N 0 0 372.513 2.515 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C/c3cncc(F)c3)CC2)cc1F ZINC000177275516 509974681 /nfs/dbraw/zinc/97/46/81/509974681.db2.gz BQFQGNSSZDMFQS-GORDUTHDSA-N 0 0 359.376 2.730 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC1CCN(CC(F)(F)F)CC1 ZINC000187007245 510001346 /nfs/dbraw/zinc/00/13/46/510001346.db2.gz RCMZGFRVFUDFRI-DUXPYHPUSA-N 0 0 358.360 2.502 20 10 FFCDRN CC(C)(C)NC(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000268553125 510005821 /nfs/dbraw/zinc/00/58/21/510005821.db2.gz IWCGAPUPGHVVQU-UHFFFAOYSA-N 0 0 371.437 2.990 20 10 FFCDRN CCN(C[C@H](O)C(F)(F)F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000190284307 510042427 /nfs/dbraw/zinc/04/24/27/510042427.db2.gz BPZDBPNJOXJVBA-HNNXBMFYSA-N 0 0 359.392 2.742 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1N1CCC(O)CC1 ZINC000180682649 510052159 /nfs/dbraw/zinc/05/21/59/510052159.db2.gz ILMDMCZQAQKERE-SOFGYWHQSA-N 0 0 354.406 2.711 20 10 FFCDRN CCCc1cnc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000190430661 510126762 /nfs/dbraw/zinc/12/67/62/510126762.db2.gz DDDQLJQAOVLDDQ-UHFFFAOYSA-N 0 0 372.494 2.733 20 10 FFCDRN CCCCOc1cccc(NC(=O)C(=O)NCc2cccc(OC)c2O)c1 ZINC000265589009 510129456 /nfs/dbraw/zinc/12/94/56/510129456.db2.gz ROMUKKTYSNEBIY-UHFFFAOYSA-N 0 0 372.421 2.835 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(C)c3F)cc2)CC1 ZINC000190577236 510217947 /nfs/dbraw/zinc/21/79/47/510217947.db2.gz QLRVNHLTRLTFPZ-UHFFFAOYSA-N 0 0 369.440 2.733 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/c3cccs3)cc2)CC1 ZINC000190583255 510220918 /nfs/dbraw/zinc/22/09/18/510220918.db2.gz KAQJADXMPKICEM-CMDGGOBGSA-N 0 0 369.490 2.746 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(C)c3C)cc2)CC1 ZINC000190581929 510220962 /nfs/dbraw/zinc/22/09/62/510220962.db2.gz OMRWDCKVXFSQRT-UHFFFAOYSA-N 0 0 365.477 2.902 20 10 FFCDRN CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000265846027 510260376 /nfs/dbraw/zinc/26/03/76/510260376.db2.gz AKVJBLUVBYFTRG-ROUUACIJSA-N 0 0 370.497 2.509 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(Cl)cn1 ZINC000181099166 510276278 /nfs/dbraw/zinc/27/62/78/510276278.db2.gz USGZGXFSRIGHEG-UHFFFAOYSA-N 0 0 374.872 2.913 20 10 FFCDRN C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000269228912 510302320 /nfs/dbraw/zinc/30/23/20/510302320.db2.gz SQMYZJVMYOALNL-MLGOLLRUSA-N 0 0 354.406 2.665 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCC[S@@](=O)C(C)(C)C)C2CC2)cc1 ZINC000265960322 510325856 /nfs/dbraw/zinc/32/58/56/510325856.db2.gz KPRVJBRMGQSTNF-RUZDIDTESA-N 0 0 365.543 2.974 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC(O)CC1 ZINC000194360673 510328189 /nfs/dbraw/zinc/32/81/89/510328189.db2.gz YYBQYDCMKVQYGQ-BBBYJDLNSA-N 0 0 368.424 2.924 20 10 FFCDRN Cc1noc(-c2cccnc2NCc2ccc(N3CCOCC3)cc2)n1 ZINC000266074686 510394811 /nfs/dbraw/zinc/39/48/11/510394811.db2.gz AGMLEXHHRZMTRE-UHFFFAOYSA-N 0 0 351.410 2.889 20 10 FFCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2COCCO2)cc1 ZINC000171852104 510410084 /nfs/dbraw/zinc/41/00/84/510410084.db2.gz CGKZOPCDQNKMIK-HXUWFJFHSA-N 0 0 370.449 2.710 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccnc1Cl ZINC000181538544 510462091 /nfs/dbraw/zinc/46/20/91/510462091.db2.gz XVQLIKGUEATKDW-UHFFFAOYSA-N 0 0 360.845 2.788 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000269931341 510604459 /nfs/dbraw/zinc/60/44/59/510604459.db2.gz NDMYCOZCSCGTAK-HOCLYGCPSA-N 0 0 366.801 2.528 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CC(=O)NCC(F)(F)F ZINC000181845931 510622241 /nfs/dbraw/zinc/62/22/41/510622241.db2.gz NSUZCODLNHGMFP-UHFFFAOYSA-N 0 0 371.403 2.704 20 10 FFCDRN Cc1cccc(C)c1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000266607033 510685411 /nfs/dbraw/zinc/68/54/11/510685411.db2.gz BBMLSNKBVRDOGK-UHFFFAOYSA-N 0 0 358.463 2.791 20 10 FFCDRN COC(=O)Nc1ccc(CCNC(=O)NCc2cccc(OC)c2O)cc1 ZINC000266731508 510754535 /nfs/dbraw/zinc/75/45/35/510754535.db2.gz BHYVECILQXGKHL-UHFFFAOYSA-N 0 0 373.409 2.621 20 10 FFCDRN COC[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000175754714 510772972 /nfs/dbraw/zinc/77/29/72/510772972.db2.gz UAHJRVSHJZVRSF-GOSISDBHSA-N 0 0 373.453 2.645 20 10 FFCDRN C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185341806 510815454 /nfs/dbraw/zinc/81/54/54/510815454.db2.gz SBHGWLRBELGUIY-NSHDSACASA-N 0 0 360.285 2.514 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCC(=O)[C@@H](C)C3(C)C)CC2)cc1 ZINC000275482517 510901030 /nfs/dbraw/zinc/90/10/30/510901030.db2.gz NFKWQLOFGXJQSZ-CRAIPNDOSA-N 0 0 358.482 2.985 20 10 FFCDRN COc1cc(O)c(CN(CCNC(C)=O)Cc2ccsc2)cc1OC ZINC000282275204 510911225 /nfs/dbraw/zinc/91/12/25/510911225.db2.gz UKEMSMPYZOQFSQ-UHFFFAOYSA-N 0 0 364.467 2.609 20 10 FFCDRN COc1ncccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275717926 510911802 /nfs/dbraw/zinc/91/18/02/510911802.db2.gz NCUCCHMZFNOZRF-UHFFFAOYSA-N 0 0 370.453 2.532 20 10 FFCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000270595576 510918272 /nfs/dbraw/zinc/91/82/72/510918272.db2.gz UVQOWBJRNIQGDW-OAHLLOKOSA-N 0 0 357.385 2.526 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(-n2cnnn2)cc1 ZINC000282364461 510947882 /nfs/dbraw/zinc/94/78/82/510947882.db2.gz BOITZOZIQCKMAP-UHFFFAOYSA-N 0 0 351.410 2.810 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)Cn1cnc2ccccc2c1=O ZINC000282371575 510949878 /nfs/dbraw/zinc/94/98/78/510949878.db2.gz CBVNPYCFSMXCBD-UHFFFAOYSA-N 0 0 365.433 2.931 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276998718 510951987 /nfs/dbraw/zinc/95/19/87/510951987.db2.gz YXIZGGINQUBULF-LRDDRELGSA-N 0 0 361.392 2.907 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CC(=O)c2ccccc21 ZINC000277150691 510956123 /nfs/dbraw/zinc/95/61/23/510956123.db2.gz KIMGXMSMVVHCFA-QGZVFWFLSA-N 0 0 368.408 2.649 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1Cc2ccccc2C1 ZINC000277263961 510957682 /nfs/dbraw/zinc/95/76/82/510957682.db2.gz RCIUQCBUABENOG-UHFFFAOYSA-N 0 0 354.425 2.694 20 10 FFCDRN O=C(NCCCOCC1CC1)NCc1cccc(Br)c1O ZINC000277574946 510966272 /nfs/dbraw/zinc/96/62/72/510966272.db2.gz CEKNMSKUGQTYSD-UHFFFAOYSA-N 0 0 357.248 2.771 20 10 FFCDRN CC(=O)NCCN(Cc1ccsc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000282418899 510968780 /nfs/dbraw/zinc/96/87/80/510968780.db2.gz BLEZOEAMMWYFFR-UHFFFAOYSA-N 0 0 374.510 2.662 20 10 FFCDRN CN(c1ccc(CN2C(=O)[C@@H]3[C@@H](O)CCCN3C2=O)cc1)C1CCCCC1 ZINC000277931510 510976512 /nfs/dbraw/zinc/97/65/12/510976512.db2.gz QTPKOSMRRGZRMW-OALUTQOASA-N 0 0 371.481 2.743 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CC[C@@H]1C(=O)OC ZINC000285626300 510982963 /nfs/dbraw/zinc/98/29/63/510982963.db2.gz KCMSUMUAJAJHMR-STQMWFEESA-N 0 0 370.243 2.702 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(F)nc2C)SC1=S ZINC000278231407 510984952 /nfs/dbraw/zinc/98/49/52/510984952.db2.gz KLXXGWMANFKZHV-FLIBITNWSA-N 0 0 354.428 2.684 20 10 FFCDRN CCOC1CC(C[NH2+][C@@H](C)c2ccc(C)c(C)c2O)(N2CCOCC2)C1 ZINC000278370170 510991241 /nfs/dbraw/zinc/99/12/41/510991241.db2.gz DKROPEMJSMIBMH-XPQZIERPSA-N 0 0 362.514 2.930 20 10 FFCDRN CC(C)(C)n1ncnc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000282476623 510993706 /nfs/dbraw/zinc/99/37/06/510993706.db2.gz IDCJBOORSSOTII-UHFFFAOYSA-N 0 0 356.474 2.633 20 10 FFCDRN COc1ccc(COCC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1 ZINC000278527021 510997641 /nfs/dbraw/zinc/99/76/41/510997641.db2.gz UCTVJECWIKGFSS-UHFFFAOYSA-N 0 0 362.382 2.624 20 10 FFCDRN 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O=C(NCc1ccccc1O)C(=O)Nc1cccc(COCC2CC2)c1 ZINC000299532691 511661234 /nfs/dbraw/zinc/66/12/34/511661234.db2.gz SPKANBFJSRRHIX-UHFFFAOYSA-N 0 0 354.406 2.574 20 10 FFCDRN CSCC[C@H](NC(=O)NCc1ccccc1O)c1nnc2ccccn21 ZINC000299552551 511662642 /nfs/dbraw/zinc/66/26/42/511662642.db2.gz XWYQXSHHLGFZLE-AWEZNQCLSA-N 0 0 371.466 2.729 20 10 FFCDRN CCOc1ccccc1C(=O)NCCCC(=O)NCc1ccccc1O ZINC000299587098 511664495 /nfs/dbraw/zinc/66/44/95/511664495.db2.gz SGCVJNCCFHYZMB-UHFFFAOYSA-N 0 0 356.422 2.617 20 10 FFCDRN Cc1nc2ncnn2c(NCc2ccc(N3CCSCC3)cc2)c1C ZINC000301292535 511693173 /nfs/dbraw/zinc/69/31/73/511693173.db2.gz PVWVRUKSZKHJSJ-UHFFFAOYSA-N 0 0 354.483 2.906 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](c4ccsc4)C3)cc2N1 ZINC000301659250 511699769 /nfs/dbraw/zinc/69/97/69/511699769.db2.gz JFJRKZRMQKDCKU-HNNXBMFYSA-N 0 0 361.379 2.565 20 10 FFCDRN O=[N+]([O-])c1cnc2ccc(NCc3ccc(N4CCSCC4)cc3)nn21 ZINC000301837209 511703503 /nfs/dbraw/zinc/70/35/03/511703503.db2.gz MMUIEYLDDVAUEK-UHFFFAOYSA-N 0 0 370.438 2.803 20 10 FFCDRN Fc1cc(CNc2cc(NCC3CC3)ncn2)ccc1N1CCOCC1 ZINC000301838099 511703691 /nfs/dbraw/zinc/70/36/91/511703691.db2.gz WMYUMDLXGHOURG-UHFFFAOYSA-N 0 0 357.433 2.886 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3nc(C(C)C)ns3)cc2)CC1 ZINC000302726581 511710993 /nfs/dbraw/zinc/71/09/93/511710993.db2.gz SGRQXINZWQXFTG-UHFFFAOYSA-N 0 0 359.499 2.942 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C=O)c[nH]3)cc2F)C[C@H](C)O1 ZINC000292777668 511716987 /nfs/dbraw/zinc/71/69/87/511716987.db2.gz KGLUEYQMPMPYOX-BETUJISGSA-N 0 0 359.401 2.510 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC2CCN(c3nccs3)CC2)cc1 ZINC000281109224 511723125 /nfs/dbraw/zinc/72/31/25/511723125.db2.gz WVYCCWSTMCZAKV-UHFFFAOYSA-N 0 0 359.499 2.677 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC3(CC2)OCCCO3)c([N+](=O)[O-])c1 ZINC000292807708 511728791 /nfs/dbraw/zinc/72/87/91/511728791.db2.gz NXDRMIMRPGZGKP-GQCTYLIASA-N 0 0 362.382 2.514 20 10 FFCDRN C[C@@H](c1cc([N+](=O)[O-])ccc1[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296427256 511738387 /nfs/dbraw/zinc/73/83/87/511738387.db2.gz LRUBOJMVMBLFTK-MELADBBJSA-N 0 0 355.394 2.642 20 10 FFCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnnn2C)cc1 ZINC000281177326 511747856 /nfs/dbraw/zinc/74/78/56/511747856.db2.gz HHMVFABZTDUBSN-UHFFFAOYSA-N 0 0 365.437 2.737 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)c1 ZINC000365994997 511772978 /nfs/dbraw/zinc/77/29/78/511772978.db2.gz IEKKAPWEQDMCDS-KRWDZBQOSA-N 0 0 369.421 2.714 20 10 FFCDRN Cn1cc(C(=O)NCc2cccc(Br)c2O)c(C2CC2)n1 ZINC000292942750 511780280 /nfs/dbraw/zinc/78/02/80/511780280.db2.gz PIKMPLZPSMWDNO-UHFFFAOYSA-N 0 0 350.216 2.696 20 10 FFCDRN COc1coc(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cc1=O ZINC000281429384 511844377 /nfs/dbraw/zinc/84/43/77/511844377.db2.gz ZMIQQQJUIQXJPA-UHFFFAOYSA-N 0 0 356.422 2.815 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCc3[nH]cnc3C2)C2CC2)cc1 ZINC000366112744 511847096 /nfs/dbraw/zinc/84/70/96/511847096.db2.gz IKTCPSXXLYSULI-HNNXBMFYSA-N 0 0 353.470 2.707 20 10 FFCDRN O=Cc1c[nH]c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000293253951 511897097 /nfs/dbraw/zinc/89/70/97/511897097.db2.gz TWMVXTUHLKWTEY-ZDUSSCGKSA-N 0 0 363.364 2.827 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(C)nc(N3CCCC3)n2)c1 ZINC000293261975 511898883 /nfs/dbraw/zinc/89/88/83/511898883.db2.gz BZPDFCVEDZFTOU-AWEZNQCLSA-N 0 0 370.453 2.728 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cncc(F)c3)cc2)CC1 ZINC000281605940 511905715 /nfs/dbraw/zinc/90/57/15/511905715.db2.gz BPJZKUSYZCOPES-UHFFFAOYSA-N 0 0 370.428 2.712 20 10 FFCDRN Cc1ccc([N+](=O)[O-])c(OCCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000281654530 511922148 /nfs/dbraw/zinc/92/21/48/511922148.db2.gz SAQVCACNFYPRRT-CYBMUJFWSA-N 0 0 374.393 2.831 20 10 FFCDRN CCCc1nc(C)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)o1 ZINC000293329940 511926563 /nfs/dbraw/zinc/92/65/63/511926563.db2.gz KJAAKJZIZLOXFM-UHFFFAOYSA-N 0 0 361.417 2.841 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@H](C)N(C)CC(F)(F)F)CC2)cc1 ZINC000366321991 511957867 /nfs/dbraw/zinc/95/78/67/511957867.db2.gz BXPUUCGKFPABRR-AWEZNQCLSA-N 0 0 373.419 2.617 20 10 FFCDRN CO[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000366344867 511968639 /nfs/dbraw/zinc/96/86/39/511968639.db2.gz WYJSMYIXFQOBHD-INIZCTEOSA-N 0 0 354.397 2.798 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1NC(=O)C1CC1 ZINC000293517343 511994085 /nfs/dbraw/zinc/99/40/85/511994085.db2.gz PZRAJTLAFOZGGD-LBPRGKRZSA-N 0 0 354.406 2.807 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C)c(OC)c1 ZINC000285125869 512009105 /nfs/dbraw/zinc/00/91/05/512009105.db2.gz RIZRFIATYIZJDB-UHFFFAOYSA-N 0 0 370.449 2.764 20 10 FFCDRN CC(C)[C@]1(CO)CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000297121092 512027887 /nfs/dbraw/zinc/02/78/87/512027887.db2.gz HAUDBTGDJJFISR-LJQANCHMSA-N 0 0 351.466 2.832 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN2Cc2ccccn2)cc1 ZINC000369614268 512512435 /nfs/dbraw/zinc/51/24/35/512512435.db2.gz WTJYHXCYWJTIHH-FQEVSTJZSA-N 0 0 352.482 2.771 20 10 FFCDRN Cc1onc(-c2cccnc2)c1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000376076005 512649749 /nfs/dbraw/zinc/64/97/49/512649749.db2.gz MTVVMQLSLYZRGJ-NSHDSACASA-N 0 0 353.378 2.817 20 10 FFCDRN Cn1cc(C[C@@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)cn1 ZINC000370014305 512728287 /nfs/dbraw/zinc/72/82/87/512728287.db2.gz YNCGBFYTBKNIGG-SFHVURJKSA-N 0 0 367.497 2.795 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCO[C@@H](C)C3)CC2)cc1 ZINC000374283610 512745298 /nfs/dbraw/zinc/74/52/98/512745298.db2.gz MBCRJOUERNHALP-DLBZAZTESA-N 0 0 361.486 2.732 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)[C@@H]3C[C@@H](OC)CCN3C2=O)cc1F ZINC000370105974 512769785 /nfs/dbraw/zinc/76/97/85/512769785.db2.gz SSZXLGFNTZMDOJ-YOEHRIQHSA-N 0 0 363.433 2.614 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@H]3CCCc4c[nH]nc43)CC2)cc1 ZINC000374450526 512838789 /nfs/dbraw/zinc/83/87/89/512838789.db2.gz DDOODTPAZOBBTJ-SFHVURJKSA-N 0 0 369.469 2.718 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H](c3nnc[nH]3)C2)c(C)n1-c1ccccn1 ZINC000370298863 512865666 /nfs/dbraw/zinc/86/56/66/512865666.db2.gz FSLNXMDZKCYGMS-OAHLLOKOSA-N 0 0 350.426 2.627 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c(O)c1 ZINC000370623222 513019810 /nfs/dbraw/zinc/01/98/10/513019810.db2.gz WNKOSQJNHMKYCV-SECBINFHSA-N 0 0 369.343 2.564 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1)NC(=O)CCS2 ZINC000372825022 513061060 /nfs/dbraw/zinc/06/10/60/513061060.db2.gz PWFIFJRGKJLTJM-UHFFFAOYSA-N 0 0 358.419 2.505 20 10 FFCDRN COc1cc(Cl)cc(CN2CCCN(C(=O)c3ccco3)CC2)c1O ZINC000368706540 513068603 /nfs/dbraw/zinc/06/86/03/513068603.db2.gz GDZUADSZLFEYFX-UHFFFAOYSA-N 0 0 364.829 2.995 20 10 FFCDRN Cn1nccc1-c1ccc(NC(=O)C2=S=C3CCCCCC3=C2)nn1 ZINC000415981309 513516074 /nfs/dbraw/zinc/51/60/74/513516074.db2.gz BQCZEOMAOKVHDV-UHFFFAOYSA-N 0 0 353.451 2.798 20 10 FFCDRN CNC(=O)[C@@]1(C)CCN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000431252823 513858105 /nfs/dbraw/zinc/85/81/05/513858105.db2.gz OIYNWUIMCHPEQG-NRFANRHFSA-N 0 0 371.481 2.503 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCOC[C@@H]3OC)ccc21 ZINC000452623688 514429179 /nfs/dbraw/zinc/42/91/79/514429179.db2.gz CCSVDLWWEHQWKA-PXNSSMCTSA-N 0 0 374.481 2.686 20 10 FFCDRN COC[C@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC(C)(C)O1 ZINC000502627054 514722149 /nfs/dbraw/zinc/72/21/49/514722149.db2.gz KDPZCOSMOOHZIW-OAHLLOKOSA-N 0 0 359.470 2.822 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000471932737 515059470 /nfs/dbraw/zinc/05/94/70/515059470.db2.gz OYXHFHUCCRULLW-HOTGVXAUSA-N 0 0 370.497 2.933 20 10 FFCDRN CCO[C@H]1C[C@](O)(CNC(=O)NCc2c(C)c3ccccc3n2C)C1(C)C ZINC000472273611 515194302 /nfs/dbraw/zinc/19/43/02/515194302.db2.gz GCVCWPHFLDYLFW-RXVVDRJESA-N 0 0 373.497 2.852 20 10 FFCDRN Cc1ccc([C@@H](C)[C@@H](O)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000494582084 515887272 /nfs/dbraw/zinc/88/72/72/515887272.db2.gz AEVJBIGBTREJAU-FOIQADDNSA-N 0 0 354.450 2.951 20 10 FFCDRN CCc1ccccc1CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000507827884 516309337 /nfs/dbraw/zinc/30/93/37/516309337.db2.gz TYRWVLBZCQZTAF-UHFFFAOYSA-N 0 0 363.461 2.982 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)OCCO2 ZINC000543861225 516466462 /nfs/dbraw/zinc/46/64/62/516466462.db2.gz JBCJNGDUWGAXQW-UHFFFAOYSA-N 0 0 355.394 2.955 20 10 FFCDRN COc1cccc(CNC(=O)c2nc(C(F)(F)F)n3c2CCCC3)c1O ZINC000528861736 516756766 /nfs/dbraw/zinc/75/67/66/516756766.db2.gz PDPRBIVCYMYLIN-UHFFFAOYSA-N 0 0 369.343 2.882 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)c1 ZINC000528866597 516760169 /nfs/dbraw/zinc/76/01/69/516760169.db2.gz WYYZTFJHSYPWAS-LBPRGKRZSA-N 0 0 369.343 2.810 20 10 FFCDRN Cc1ccc2ncc(/C=C3/CCn4c3nc3cc(C(=O)[O-])ccc3c4=O)n2c1 ZINC000533254939 517367492 /nfs/dbraw/zinc/36/74/92/517367492.db2.gz IZETYIFSWORVPH-JYRVWZFOSA-N 0 0 372.384 2.995 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)O[C@]2(CCO[C@@H]2C)C1 ZINC000527176720 517545629 /nfs/dbraw/zinc/54/56/29/517545629.db2.gz DSAGCMANEBNKGL-CMPZQBNXSA-N 0 0 371.481 2.965 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCc3ccc(=O)[nH]c3)ccc21 ZINC000560517008 517866876 /nfs/dbraw/zinc/86/68/76/517866876.db2.gz PAABZXRODSBUJV-UHFFFAOYSA-N 0 0 367.449 2.978 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C(F)(F)F)nn1C ZINC000581648078 518386842 /nfs/dbraw/zinc/38/68/42/518386842.db2.gz VZYRPEMVUOCJNY-UHFFFAOYSA-N 0 0 354.332 2.544 20 10 FFCDRN Cc1c(C)n(C)c2ccc(OCC(=O)N[C@@H](C)C(=O)N3CCCCC3)cc12 ZINC000564648497 518543318 /nfs/dbraw/zinc/54/33/18/518543318.db2.gz HTYVRPVQSFPWKT-HNNXBMFYSA-N 0 0 371.481 2.691 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCC[C@@](CO)(OC)C3)ccc21 ZINC000617798012 520724957 /nfs/dbraw/zinc/72/49/57/520724957.db2.gz WJXBUCSTLVNWPJ-OAQYLSRUSA-N 0 0 374.481 2.518 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000517205676 562079388 /nfs/dbraw/zinc/07/93/88/562079388.db2.gz ZXFRNTBUXCSKSV-UHFFFAOYSA-N 0 0 372.816 2.880 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(-c3nn[nH]n3)c2C)c1 ZINC000821838945 607283170 /nfs/dbraw/zinc/28/31/70/607283170.db2.gz RIFXYKZAPNKHGU-NSHDSACASA-N 0 0 368.397 2.772 20 10 FFCDRN CCOCCCOC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736617071 599285962 /nfs/dbraw/zinc/28/59/62/599285962.db2.gz XQGHEVRBCYNZMD-UHFFFAOYSA-N 0 0 369.425 2.858 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1cc(-c2nn[nH]n2)cn1C(C)(C)C ZINC000736828219 598278128 /nfs/dbraw/zinc/27/81/28/598278128.db2.gz JGUWTWMCIJLMNB-UHFFFAOYSA-N 0 0 369.429 2.793 20 10 FFCDRN COc1ccc(N2CCC(Nc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000737100285 598353130 /nfs/dbraw/zinc/35/31/30/598353130.db2.gz VSNWWROTVHBHIS-UHFFFAOYSA-N 0 0 350.426 2.956 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(F)c(-c3nn[nH]n3)c2)c1 ZINC000737106236 598782438 /nfs/dbraw/zinc/78/24/38/598782438.db2.gz QLAUXPHZIBSURP-SECBINFHSA-N 0 0 372.360 2.603 20 10 FFCDRN Cc1cncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[nH]n2)c1 ZINC000822399146 607404676 /nfs/dbraw/zinc/40/46/76/607404676.db2.gz ANIIZFMTJWGGFU-UTCJRWHESA-N 0 0 354.801 2.900 20 10 FFCDRN Cn1cc([C@@H]2CC[N@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)C2)cn1 ZINC000739026063 600214459 /nfs/dbraw/zinc/21/44/59/600214459.db2.gz IMFDLZUHPSZDGP-CQSZACIVSA-N 0 0 351.406 2.967 20 10 FFCDRN O=C([O-])c1cc(C[NH2+][C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c[nH]1 ZINC000833296684 601833582 /nfs/dbraw/zinc/83/35/82/601833582.db2.gz PQQCOKLUDSYWSV-OAHLLOKOSA-N 0 0 363.845 2.826 20 10 FFCDRN CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)NC(=O)[O-] ZINC000825484564 604335068 /nfs/dbraw/zinc/33/50/68/604335068.db2.gz JFCRBCCXXPPEOP-BBRMVZONSA-N 0 0 353.438 2.605 20 10 FFCDRN C[C@@H](c1ccccc1)[N@H+](CCC(=O)N(C)CC(=O)[O-])Cc1ccccc1O ZINC000833549235 605077575 /nfs/dbraw/zinc/07/75/75/605077575.db2.gz PQPGBJLDZJBRMK-INIZCTEOSA-N 0 0 370.449 2.889 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168899 606438771 /nfs/dbraw/zinc/43/87/71/606438771.db2.gz VEMZWKKJXLDEIR-GFCCVEGCSA-N 0 0 350.426 2.899 20 10 FFCDRN COc1ccc(N(C)Cc2cnc3ccc(-c4nn[nH]n4)cn23)cc1Cl ZINC000826208932 609173819 /nfs/dbraw/zinc/17/38/19/609173819.db2.gz GLPIWLMTMIRKJB-UHFFFAOYSA-N 0 0 369.816 2.813 20 10 FFCDRN Cc1ccc(C(=O)Nc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)c(O)c1O ZINC000826282605 609252795 /nfs/dbraw/zinc/25/27/95/609252795.db2.gz WSMGYKKGNOJWID-UHFFFAOYSA-N 0 0 369.381 2.626 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 ZINC000153880231 728790300 /nfs/dbraw/zinc/79/03/00/728790300.db2.gz PAYHGBSAXAMPBM-QMMMGPOBSA-N 0 0 356.300 2.599 20 10 FFCDRN Cc1nccn1CCCCNC(=O)NCCCSc1nccs1 ZINC000153920585 728791510 /nfs/dbraw/zinc/79/15/10/728791510.db2.gz FAWJJHFWQOBHLB-UHFFFAOYSA-N 0 0 353.517 2.910 20 10 FFCDRN C[C@](O)(CNC(=O)NCCCSc1nccs1)c1cccs1 ZINC000154673672 728809641 /nfs/dbraw/zinc/80/96/41/728809641.db2.gz YOQCBIOFTJUXJZ-AWEZNQCLSA-N 0 0 357.526 2.894 20 10 FFCDRN COc1ccc(O)c(CNC(=O)COc2ccccc2Br)c1 ZINC000158443437 728888502 /nfs/dbraw/zinc/88/85/02/728888502.db2.gz GRVRRMBEEDYSBL-UHFFFAOYSA-N 0 0 366.211 2.859 20 10 FFCDRN C[C@H](Cc1cccnc1)NC(=O)NCc1cccc(Br)c1O ZINC000898325198 735341580 /nfs/dbraw/zinc/34/15/80/735341580.db2.gz NYDSDLYYXHISHK-LLVKDONJSA-N 0 0 364.243 2.980 20 10 FFCDRN COCc1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)cs1 ZINC000744402732 735353039 /nfs/dbraw/zinc/35/30/39/735353039.db2.gz RQZUEMMUOKQMIJ-UHFFFAOYSA-N 0 0 370.858 2.824 20 10 FFCDRN Cc1cccc(CN2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1O ZINC000898457808 735362919 /nfs/dbraw/zinc/36/29/19/735362919.db2.gz SHMQDARIFVFTTO-UKRRQHHQSA-N 0 0 363.401 2.642 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(CS(C)(=O)=O)c2)cc1 ZINC000018150609 727829999 /nfs/dbraw/zinc/82/99/99/727829999.db2.gz FCJJVCNAWWNNKQ-UHFFFAOYSA-N 0 0 360.479 2.569 20 10 FFCDRN Cc1ccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)s1 ZINC000028977107 727888886 /nfs/dbraw/zinc/88/88/86/727888886.db2.gz OYPZSPMTYBOABV-RAXLEYEMSA-N 0 0 354.522 2.590 20 10 FFCDRN COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1SC ZINC000746342036 735478016 /nfs/dbraw/zinc/47/80/16/735478016.db2.gz KDBDQCDJEJSAPS-GXDHUFHOSA-N 0 0 350.465 2.720 20 10 FFCDRN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc2c(c1)CCC2 ZINC000041374395 727939574 /nfs/dbraw/zinc/93/95/74/727939574.db2.gz GYKVJCCWTBSXOP-UHFFFAOYSA-N 0 0 358.463 2.813 20 10 FFCDRN CCOC(=O)Cc1csc(NC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000042755004 727963523 /nfs/dbraw/zinc/96/35/23/727963523.db2.gz YFYNFQBKTPVZAZ-UHFFFAOYSA-N 0 0 362.455 2.636 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cccs3)C2)cc1 ZINC000062575185 728133328 /nfs/dbraw/zinc/13/33/28/728133328.db2.gz FZURPOYSGYANOA-ZDUSSCGKSA-N 0 0 352.481 2.562 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CSC[C@@H]2C(=O)N(C)C)cc1 ZINC000066657925 728176140 /nfs/dbraw/zinc/17/61/40/728176140.db2.gz APOJWDVDTJDGEF-QGZVFWFLSA-N 0 0 357.479 2.697 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@H]3CCCN3c3nccs3)ccc21 ZINC000069960349 728203072 /nfs/dbraw/zinc/20/30/72/728203072.db2.gz KYMIUHKIHXBWNN-QGZVFWFLSA-N 0 0 356.495 2.811 20 10 FFCDRN CSCC[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000077802000 728285624 /nfs/dbraw/zinc/28/56/24/728285624.db2.gz WPBYOIFHANSMID-OAHLLOKOSA-N 0 0 365.543 2.836 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1F ZINC000084952104 728428064 /nfs/dbraw/zinc/42/80/64/728428064.db2.gz BBTPWXLHZSYTSX-UHFFFAOYSA-N 0 0 364.442 2.654 20 10 FFCDRN CC(C)(C)OCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000746979607 735522085 /nfs/dbraw/zinc/52/20/85/735522085.db2.gz REKMCTDAGAEREM-MRXNPFEDSA-N 0 0 350.459 2.898 20 10 FFCDRN O=C(CSCC(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000090368038 728450278 /nfs/dbraw/zinc/45/02/78/728450278.db2.gz XXCXOOAYUIPJQS-UHFFFAOYSA-N 0 0 366.380 2.574 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC1N=NC(=S)N1C ZINC000103980651 728500218 /nfs/dbraw/zinc/50/02/18/728500218.db2.gz RFANVVDOTFKBLX-UHFFFAOYSA-N 0 0 355.467 2.750 20 10 FFCDRN CN(C[C@@H]1CCCOC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000107737618 728517334 /nfs/dbraw/zinc/51/73/34/728517334.db2.gz ZKQUVHLMBGHCFU-KRWDZBQOSA-N 0 0 363.527 2.808 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccccc1F ZINC000111238321 728535453 /nfs/dbraw/zinc/53/54/53/728535453.db2.gz DCPSGBPBNBOIHS-QGZVFWFLSA-N 0 0 367.804 2.893 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)c1ccc(F)cc1 ZINC000111238368 728535461 /nfs/dbraw/zinc/53/54/61/728535461.db2.gz GTYBLFQAYYFRTP-KRWDZBQOSA-N 0 0 367.804 2.893 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)c1ccccc1F ZINC000111238319 728535472 /nfs/dbraw/zinc/53/54/72/728535472.db2.gz DCPSGBPBNBOIHS-KRWDZBQOSA-N 0 0 367.804 2.893 20 10 FFCDRN O=C(NCCCSc1nccs1)c1ccc(C(F)(F)F)[nH]c1=O ZINC000114374673 728559917 /nfs/dbraw/zinc/55/99/17/728559917.db2.gz WYLKSXCPYZEATP-UHFFFAOYSA-N 0 0 363.386 2.762 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccccc2OC(F)F)cc1 ZINC000116606450 728572654 /nfs/dbraw/zinc/57/26/54/728572654.db2.gz FVPHYTFHLKXLRY-UHFFFAOYSA-N 0 0 356.394 2.833 20 10 FFCDRN CCCOc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OC ZINC000747148164 735538512 /nfs/dbraw/zinc/53/85/12/735538512.db2.gz ODLNEJSQTOKPGT-FOWTUZBSSA-N 0 0 362.451 2.787 20 10 FFCDRN Cc1c(C(=O)NCCCSc2nccs2)cnn1C1CCOCC1 ZINC000122295959 728646001 /nfs/dbraw/zinc/64/60/01/728646001.db2.gz FIOQARIUMGAVKU-UHFFFAOYSA-N 0 0 366.512 2.912 20 10 FFCDRN C[C@@H](NC(=O)NCCCSc1nccs1)[C@@H](O)Cc1ccccc1 ZINC000123672085 728661182 /nfs/dbraw/zinc/66/11/82/728661182.db2.gz GUIDTBMYNPVPAM-HIFRSBDPSA-N 0 0 365.524 2.917 20 10 FFCDRN COc1cc(N(C)CC(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1OC ZINC000125718082 728686662 /nfs/dbraw/zinc/68/66/62/728686662.db2.gz UPANAOKAWGMAKV-UKRRQHHQSA-N 0 0 350.459 2.844 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cccc3ncccc32)cc1F ZINC000129385430 728711355 /nfs/dbraw/zinc/71/13/55/728711355.db2.gz NMTQBPCOCQFTPB-UHFFFAOYSA-N 0 0 359.426 2.918 20 10 FFCDRN Cc1cc(NC(=O)NCCCSc2nccs2)ccc1C(N)=O ZINC000130554079 728719384 /nfs/dbraw/zinc/71/93/84/728719384.db2.gz FSYQIVZDBJLVII-UHFFFAOYSA-N 0 0 350.469 2.854 20 10 FFCDRN COc1ccc(N(C)CC(=O)N2CCC[C@H](C(F)(F)F)C2)c(OC)c1 ZINC000131918325 728723262 /nfs/dbraw/zinc/72/32/62/728723262.db2.gz LWTQVRQJLYKLSI-LBPRGKRZSA-N 0 0 360.376 2.941 20 10 FFCDRN Cc1cc(C(=O)OCCCS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 ZINC000171490387 729005288 /nfs/dbraw/zinc/00/52/88/729005288.db2.gz TZLAGKQYUTTZSK-UHFFFAOYSA-N 0 0 353.415 2.825 20 10 FFCDRN Cc1cc(S(=O)(=O)NCCCSc2nccs2)ccc1[N+](=O)[O-] ZINC000172260208 729022645 /nfs/dbraw/zinc/02/26/45/729022645.db2.gz HEQUUBKAQCTIJM-UHFFFAOYSA-N 0 0 373.481 2.820 20 10 FFCDRN C[C@H](O)CC(C)(C)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000175676114 729099471 /nfs/dbraw/zinc/09/94/71/729099471.db2.gz MNANNZLMHZBJFO-HNNXBMFYSA-N 0 0 365.543 2.836 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc3cccnc32)c1 ZINC000178687787 729167426 /nfs/dbraw/zinc/16/74/26/729167426.db2.gz SKTGNQDJGKUGQL-GFCCVEGCSA-N 0 0 358.419 2.989 20 10 FFCDRN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(O)cc2F)cn1 ZINC000184619223 729329707 /nfs/dbraw/zinc/32/97/07/729329707.db2.gz ONEBQIMAERCECW-UHFFFAOYSA-N 0 0 363.370 2.526 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSc3cccc(O)c3)CC2)cc1 ZINC000185661078 729354055 /nfs/dbraw/zinc/35/40/55/729354055.db2.gz BAZYANOWXWUTBK-UHFFFAOYSA-N 0 0 358.463 2.842 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)Cc2noc3ccccc23)c1 ZINC000185828924 729357374 /nfs/dbraw/zinc/35/73/74/729357374.db2.gz KIKIQAVPQXOCNY-NSHDSACASA-N 0 0 362.407 2.723 20 10 FFCDRN CCOC(=O)N1CCC([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000189360164 729398603 /nfs/dbraw/zinc/39/86/03/729398603.db2.gz ZKKNBYQNGKDPDF-LBPRGKRZSA-N 0 0 351.403 2.647 20 10 FFCDRN CC(C)C[C@@]1(CO)CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000190427231 729408236 /nfs/dbraw/zinc/40/82/36/729408236.db2.gz DZWSJNIJEDVROX-LJQANCHMSA-N 0 0 351.466 2.974 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2csc3ccccc23)c1 ZINC000779163625 738440958 /nfs/dbraw/zinc/44/09/58/738440958.db2.gz RALDYESAVAZPSB-UHFFFAOYSA-N 0 0 356.403 2.870 20 10 FFCDRN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000779196010 738442676 /nfs/dbraw/zinc/44/26/76/738442676.db2.gz MVODMGAAXRULME-QMMMGPOBSA-N 0 0 354.731 2.685 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)[C@@H]2CC(F)(F)CN2C1=O ZINC000924942090 738464538 /nfs/dbraw/zinc/46/45/38/738464538.db2.gz UVWCDPKYKMZTMW-DOMZBBRYSA-N 0 0 351.397 2.664 20 10 FFCDRN COCc1csc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000856209402 730316153 /nfs/dbraw/zinc/31/61/53/730316153.db2.gz LOUGOYYFEJRXGU-UHFFFAOYSA-N 0 0 360.479 2.786 20 10 FFCDRN COCCOc1ccc(CNCc2cc(F)c(N(C)C)cc2F)cn1 ZINC000858099576 730416534 /nfs/dbraw/zinc/41/65/34/730416534.db2.gz QXHCIQVSWZCTHW-UHFFFAOYSA-N 0 0 351.397 2.741 20 10 FFCDRN CN(C)c1cc(F)c(CN[C@@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000858149769 730417855 /nfs/dbraw/zinc/41/78/55/730417855.db2.gz UMAOOIYSKPTFLW-OAHLLOKOSA-N 0 0 352.406 2.649 20 10 FFCDRN OC[C@@]1(NCc2c(O)cccc2Br)CCOc2ccccc21 ZINC000858161568 730418251 /nfs/dbraw/zinc/41/82/51/730418251.db2.gz BHBZOEYEJKKXQA-KRWDZBQOSA-N 0 0 364.239 2.915 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@@]1(C)Br ZINC000858201793 730419638 /nfs/dbraw/zinc/41/96/38/730419638.db2.gz WDGRIUORYHVTPS-DOTOQJQBSA-N 0 0 367.287 2.655 20 10 FFCDRN Cc1cc(CNC(=O)N[C@H](C)C[S@@](C)=O)c(C)n1-c1cccc(C)c1 ZINC000858358518 730423787 /nfs/dbraw/zinc/42/37/87/730423787.db2.gz PZIVBHFSDABWNT-DLUDVSRJSA-N 0 0 361.511 2.969 20 10 FFCDRN CCS(=O)(=O)c1ccc(CNC(=O)NCc2cc(C)ccc2O)s1 ZINC000858408500 730425014 /nfs/dbraw/zinc/42/50/14/730425014.db2.gz PXGJEWAQCPNRAP-UHFFFAOYSA-N 0 0 368.480 2.555 20 10 FFCDRN CCn1ncc(CN[C@@H](C)c2cc(Br)cc(OC)c2O)n1 ZINC000858444090 730425909 /nfs/dbraw/zinc/42/59/09/730425909.db2.gz IXEOEINBYLASSC-VIFPVBQESA-N 0 0 355.236 2.626 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000858913669 730436488 /nfs/dbraw/zinc/43/64/88/730436488.db2.gz KKIVXYXKIQSLLR-KRWDZBQOSA-N 0 0 354.516 2.860 20 10 FFCDRN CC(C)Oc1cncc(S(=O)(=O)NCc2cc(Cl)ccc2O)c1 ZINC000859205798 730445284 /nfs/dbraw/zinc/44/52/84/730445284.db2.gz DXGYXKHBPULTMZ-UHFFFAOYSA-N 0 0 356.831 2.706 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnc(C3(C)OCCO3)s2)c1 ZINC000860242029 730493261 /nfs/dbraw/zinc/49/32/61/730493261.db2.gz OBDGSKSLZPPTJV-JTQLQIEISA-N 0 0 364.423 2.568 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)Nc2cccn(CC(F)(F)F)c2=O)c1 ZINC000860758974 730544516 /nfs/dbraw/zinc/54/45/16/730544516.db2.gz TWJVHKPKZZCBPP-UHFFFAOYSA-N 0 0 355.316 2.746 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000862024683 730662341 /nfs/dbraw/zinc/66/23/41/730662341.db2.gz DIXUGBBUUAFCLN-ZDUSSCGKSA-N 0 0 360.376 2.800 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)cc1F ZINC000862246815 730681401 /nfs/dbraw/zinc/68/14/01/730681401.db2.gz CWSGVFBEOYUBBK-MRXNPFEDSA-N 0 0 356.413 2.573 20 10 FFCDRN CC[C@H]1CN(Cc2c(O)cccc2Br)C[C@@H](C)S1(=O)=O ZINC000862366465 730692257 /nfs/dbraw/zinc/69/22/57/730692257.db2.gz ITYGSXLNQWBOAB-MNOVXSKESA-N 0 0 362.289 2.552 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCN(c3ccc(F)cn3)CC2)cc1F ZINC000862367877 730692822 /nfs/dbraw/zinc/69/28/22/730692822.db2.gz YFGVRYQSSAHGPE-UHFFFAOYSA-N 0 0 350.388 2.887 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)CNC(=O)c2cc3c(s2)CCCC3)c1 ZINC000862758488 730723714 /nfs/dbraw/zinc/72/37/14/730723714.db2.gz BCKZNLJWLNBLCP-UHFFFAOYSA-N 0 0 358.463 2.687 20 10 FFCDRN Cc1cc(CNC(=O)CS(=O)(=O)C2CC2)c(C)n1-c1cccc(C)c1 ZINC000863159911 730753160 /nfs/dbraw/zinc/75/31/60/730753160.db2.gz JKGYEQPZPNLQCE-UHFFFAOYSA-N 0 0 360.479 2.596 20 10 FFCDRN Cc1cc(CN2C(=O)[C@H]3CSCCN3C2=O)c(C)n1-c1ccccc1 ZINC000863533517 730789364 /nfs/dbraw/zinc/78/93/64/730789364.db2.gz QRPPEGJWBLJOGL-QGZVFWFLSA-N 0 0 355.463 2.974 20 10 FFCDRN [NH3+]C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@@H]1C(F)(F)F ZINC000863646972 730798631 /nfs/dbraw/zinc/79/86/31/730798631.db2.gz TYAWLTBOJSBFNO-ONGXEEELSA-N 0 0 367.755 2.913 20 10 FFCDRN [NH3+]C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1C(F)(F)F ZINC000863646971 730798675 /nfs/dbraw/zinc/79/86/75/730798675.db2.gz TYAWLTBOJSBFNO-MWLCHTKSSA-N 0 0 367.755 2.913 20 10 FFCDRN CCN1C(=O)/C(=C\c2cc(C(=O)OC(C)(C)C)nn2C)SC1=S ZINC000864362958 730841563 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ZINC000867834996 731232212 /nfs/dbraw/zinc/23/22/12/731232212.db2.gz YRDPXTSXSNHCFB-NSHDSACASA-N 0 0 360.435 2.661 20 10 FFCDRN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000867834087 731232223 /nfs/dbraw/zinc/23/22/23/731232223.db2.gz KSPAQVGVSFIKEN-QWRGUYRKSA-N 0 0 368.480 2.690 20 10 FFCDRN CCOC(=O)c1ccc(CS(=O)(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000867836259 731232420 /nfs/dbraw/zinc/23/24/20/731232420.db2.gz LNELOQMNQFGXJG-ZDUSSCGKSA-N 0 0 363.435 2.750 20 10 FFCDRN C[C@@H](OCc1ccncc1)C(=O)NCc1cc(Br)ccc1O ZINC000868307302 731279904 /nfs/dbraw/zinc/27/99/04/731279904.db2.gz XAVWVPJSFNBTGX-LLVKDONJSA-N 0 0 365.227 2.771 20 10 FFCDRN CCS(=O)(=O)c1ccc(CNC(=O)N[C@H](C)c2ccccc2O)s1 ZINC000868558019 731305026 /nfs/dbraw/zinc/30/50/26/731305026.db2.gz HIQJBUFDHDKENX-LLVKDONJSA-N 0 0 368.480 2.808 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCCC(C)(F)F)CC2)c(OC)c1 ZINC000868656880 731317162 /nfs/dbraw/zinc/31/71/62/731317162.db2.gz IQHBMUFVAZXCQJ-UHFFFAOYSA-N 0 0 357.401 2.581 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(NC(=O)OC(C)(C)C)CC2(F)F)c1 ZINC000869411541 731396709 /nfs/dbraw/zinc/39/67/09/731396709.db2.gz WCQBRNLSEOCGRU-INIZCTEOSA-N 0 0 356.369 2.619 20 10 FFCDRN COc1ccc(/C=C2\SC(=S)N(CCc3ccccn3)C2=O)cn1 ZINC000780143623 738521887 /nfs/dbraw/zinc/52/18/87/738521887.db2.gz QPFDEJANQSZNBT-UVTDQMKNSA-N 0 0 357.460 2.929 20 10 FFCDRN COc1c(O)c(CNc2ccc(C)c(S(C)(=O)=O)c2)ccc1[N+](=O)[O-] ZINC000775055292 738057502 /nfs/dbraw/zinc/05/75/02/738057502.db2.gz BMSKKFLJQMUVGH-UHFFFAOYSA-N 0 0 366.395 2.633 20 10 FFCDRN O=C(c1ccc(S[C@H]2CCOC2=O)cc1)N1Cc2cccc(O)c2C1 ZINC000871202782 731605642 /nfs/dbraw/zinc/60/56/42/731605642.db2.gz FXVBMMNGHVXRCD-KRWDZBQOSA-N 0 0 355.415 2.956 20 10 FFCDRN CC(C)(C)c1cc(O)c(O)c(CN2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1 ZINC000872807560 731834923 /nfs/dbraw/zinc/83/49/23/731834923.db2.gz UWRREBZNEWXZPX-KDURUIRLSA-N 0 0 367.511 2.652 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc(C(F)(F)F)c[nH]c2=O)cc1F ZINC000874251624 732031405 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ZINC000877029563 732314601 /nfs/dbraw/zinc/31/46/01/732314601.db2.gz HDHYUMHEZTWFMW-UHFFFAOYSA-N 0 0 350.365 2.913 20 10 FFCDRN [O-]c1c(C[NH2+]C[C@H](O)c2cc(Cl)c3c(c2)OCCO3)ccc(F)c1F ZINC000877049560 732317457 /nfs/dbraw/zinc/31/74/57/732317457.db2.gz TTWJZTQZOQGVNX-ZDUSSCGKSA-N 0 0 371.767 2.918 20 10 FFCDRN COC(=O)c1ccc(C[NH2+]Cc2cccc(Br)c2[O-])n1C ZINC000877479429 732369913 /nfs/dbraw/zinc/36/99/13/732369913.db2.gz VAUDNFHLLHDVAH-UHFFFAOYSA-N 0 0 353.216 2.570 20 10 FFCDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877516298 732378748 /nfs/dbraw/zinc/37/87/48/732378748.db2.gz YXBXQBCVLPAKBQ-CXAGYDPISA-N 0 0 358.404 2.799 20 10 FFCDRN COc1ccc(CNC(=O)NC[C@H]2CCC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000926397757 738610007 /nfs/dbraw/zinc/61/00/07/738610007.db2.gz SKCRRHSQTWKKRT-TZMCWYRMSA-N 0 0 362.348 2.700 20 10 FFCDRN COc1ccc(N2CCN(CCCS(=O)(=O)C(C)(C)C)CC2)cc1F ZINC000878181117 732494652 /nfs/dbraw/zinc/49/46/52/732494652.db2.gz LOYKJQVCWSFJFH-UHFFFAOYSA-N 0 0 372.506 2.560 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C2CCC(S(C)(=O)=O)CC2)cc1 ZINC000878300362 732511429 /nfs/dbraw/zinc/51/14/29/732511429.db2.gz HMSLEWDPQXYWQE-UHFFFAOYSA-N 0 0 366.527 2.752 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1c(Br)cnn1C ZINC000878596487 732562003 /nfs/dbraw/zinc/56/20/03/732562003.db2.gz DZHZBBOCQHXDBH-UHFFFAOYSA-N 0 0 366.259 2.870 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3nccnc3SC)CC2)cc1 ZINC000878631906 732569629 /nfs/dbraw/zinc/56/96/29/732569629.db2.gz GFPAYKYGJMHTCV-UHFFFAOYSA-N 0 0 358.467 2.606 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cc(Br)nn2C)cc1 ZINC000879644710 732741724 /nfs/dbraw/zinc/74/17/24/732741724.db2.gz KCUMMJJMLGNBKB-UHFFFAOYSA-N 0 0 352.236 2.570 20 10 FFCDRN COC(=O)c1cc(NC(=O)NCc2cccc(OC)c2O)c(C)s1 ZINC000879854993 732788180 /nfs/dbraw/zinc/78/81/80/732788180.db2.gz LFKYSYWHGCVABW-UHFFFAOYSA-N 0 0 350.396 2.879 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCC[C@@H](N(C)C)C(F)(F)F)cc1 ZINC000926808955 738656453 /nfs/dbraw/zinc/65/64/53/738656453.db2.gz KZKLBERBWZVRKN-OAHLLOKOSA-N 0 0 360.424 2.777 20 10 FFCDRN CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(C)cc(Br)c1O ZINC000781908411 738671019 /nfs/dbraw/zinc/67/10/19/738671019.db2.gz ISKNRTDUTLDHEG-LLVKDONJSA-N 0 0 364.305 2.718 20 10 FFCDRN CC(=O)c1cc(Cl)cc(Cn2cc(C[C@@H](O)C(C)(C)C)nn2)c1O ZINC000880999979 733002503 /nfs/dbraw/zinc/00/25/03/733002503.db2.gz WTUFDNBBVADHLR-OAHLLOKOSA-N 0 0 351.834 2.838 20 10 FFCDRN CC[C@@H](Cc1cn(Cc2cc(Cl)cc(C(C)=O)c2O)nn1)C(=O)OC ZINC000880999335 733002534 /nfs/dbraw/zinc/00/25/34/733002534.db2.gz LDOLYUZDCTWIAC-NSHDSACASA-N 0 0 365.817 2.630 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Nc3nn(C)cc3Cl)CC2)cc1 ZINC000881185162 733024014 /nfs/dbraw/zinc/02/40/14/733024014.db2.gz UQKWIFNFKQPLSY-UHFFFAOYSA-N 0 0 363.849 2.826 20 10 FFCDRN COC(=O)c1cnc(CC2CCN(C(=O)C3=CC(=O)CS3)CC2)s1 ZINC000881648653 733080989 /nfs/dbraw/zinc/08/09/89/733080989.db2.gz XMSVABYNFHQBAQ-UHFFFAOYSA-N 0 0 366.464 2.792 20 10 FFCDRN CN(C)c1ccc(CN(C)c2ccc3nnc(Br)n3n2)cc1 ZINC000881772269 733105008 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C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000883300644 733363792 /nfs/dbraw/zinc/36/37/92/733363792.db2.gz CZQKUKBRQOVVDG-JTQLQIEISA-N 0 0 362.442 2.572 20 10 FFCDRN C[C@@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000883627904 733414023 /nfs/dbraw/zinc/41/40/23/733414023.db2.gz SZXAXZMZBWYZOQ-BXKDBHETSA-N 0 0 369.334 2.671 20 10 FFCDRN CS(=O)(=O)c1cccnc1CNC(=S)Nc1ccc(Cl)cc1 ZINC000782426767 738720460 /nfs/dbraw/zinc/72/04/60/738720460.db2.gz DURMZXOWWGTVPF-UHFFFAOYSA-N 0 0 355.872 2.625 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)[C@H](C)O1 ZINC000782560420 738734236 /nfs/dbraw/zinc/73/42/36/738734236.db2.gz KQAZDGUQUJVJOD-PMPSAXMXSA-N 0 0 363.527 2.947 20 10 FFCDRN C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1c([O-])cccc1F ZINC000886552972 733801646 /nfs/dbraw/zinc/80/16/46/733801646.db2.gz AARUFILZINENNN-LLVKDONJSA-N 0 0 358.460 2.564 20 10 FFCDRN C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1cc(Br)c(F)cc1[O-] ZINC000886669533 733814822 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ZINC000783499209 738809499 /nfs/dbraw/zinc/80/94/99/738809499.db2.gz APKZFKYKRJVTND-UHFFFAOYSA-N 0 0 365.179 2.829 20 10 FFCDRN CCn1cc(NC(=S)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000726121709 734408187 /nfs/dbraw/zinc/40/81/87/734408187.db2.gz INXQPLRKZFLCFN-MRXNPFEDSA-N 0 0 360.483 2.987 20 10 FFCDRN NC(=O)c1ccc(NC(=S)NNc2ccccc2Br)cc1 ZINC000726452408 734425754 /nfs/dbraw/zinc/42/57/54/734425754.db2.gz WYRKAKSZZAOQDK-UHFFFAOYSA-N 0 0 365.256 2.862 20 10 FFCDRN CCCCOc1ccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)cc1 ZINC000727177279 734470240 /nfs/dbraw/zinc/47/02/40/734470240.db2.gz ZAACZMASXCOQOZ-UKTHLTGXSA-N 0 0 350.465 2.552 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2csc(-c3cccs3)n2)SC1=S ZINC000728610445 734533867 /nfs/dbraw/zinc/53/38/67/734533867.db2.gz IDHBDVOCDXIZQG-RUDMXATFSA-N 0 0 367.502 2.558 20 10 FFCDRN Cc1cc(CCNC(=O)CCCS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000731184486 734669992 /nfs/dbraw/zinc/66/99/92/734669992.db2.gz YONLTARGLUHGGN-UHFFFAOYSA-N 0 0 362.495 2.578 20 10 FFCDRN C[C@@H]1CN(Cc2csc(NC(=O)C3=CC(=O)CS3)n2)C[C@@H](C)O1 ZINC000731867627 734702185 /nfs/dbraw/zinc/70/21/85/734702185.db2.gz XOUMQIBTPDAVPK-NXEZZACHSA-N 0 0 353.469 2.772 20 10 FFCDRN COc1ccc(CN(C(=O)COC(=O)C2=CC(=O)CS2)C2CC2)cc1 ZINC000731911959 734704928 /nfs/dbraw/zinc/70/49/28/734704928.db2.gz OPMDXYHPFLNXEX-UHFFFAOYSA-N 0 0 361.419 2.810 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000732282620 734730059 /nfs/dbraw/zinc/73/00/59/734730059.db2.gz KBPPDSRCSTZVSJ-UHFFFAOYSA-N 0 0 356.407 2.919 20 10 FFCDRN COc1ccc(CN2CCN([C@@H](C)c3nccs3)CC2)c(O)c1OC ZINC000893633531 734730250 /nfs/dbraw/zinc/73/02/50/734730250.db2.gz YLQLBQJEBZRECK-ZDUSSCGKSA-N 0 0 363.483 2.745 20 10 FFCDRN Cc1ccsc1-c1nnc(NC(=O)COC(=O)C2=CC(=O)CS2)o1 ZINC000732354735 734736778 /nfs/dbraw/zinc/73/67/78/734736778.db2.gz XYLJLBKZUHWBGD-UHFFFAOYSA-N 0 0 365.392 2.669 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000893995361 734783948 /nfs/dbraw/zinc/78/39/48/734783948.db2.gz 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CC[C@H](C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000739962699 735063900 /nfs/dbraw/zinc/06/39/00/735063900.db2.gz OFRJBAZJNGFDPC-XJKSGUPXSA-N 0 0 374.934 2.976 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NC[C@@](C)(O)c3cccs3)ccc21 ZINC000740475566 735076040 /nfs/dbraw/zinc/07/60/40/735076040.db2.gz YSPSKOUBGPIIPU-LJQANCHMSA-N 0 0 359.495 2.837 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)C[C@H]1CCS(=O)(=O)C1 ZINC000740846850 735091567 /nfs/dbraw/zinc/09/15/67/735091567.db2.gz KXOWZVVMYUBZFG-CQSZACIVSA-N 0 0 366.508 2.662 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)NCc3cccc(Cl)c3O)O2)CO1 ZINC000896521939 735172557 /nfs/dbraw/zinc/17/25/57/735172557.db2.gz LFIYDIXWWUKBRF-NDGTYSDOSA-N 0 0 354.834 2.571 20 10 FFCDRN CN(C)[C@@H](CCNC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC000896685281 735180003 /nfs/dbraw/zinc/18/00/03/735180003.db2.gz ZUNOZJVLXBJQMM-NSHDSACASA-N 0 0 353.772 2.727 20 10 FFCDRN O=C(N[C@H]1CCOC2(CCOCC2)C1)c1cc2cc(O)c(O)cc2s1 ZINC000897065161 735193569 /nfs/dbraw/zinc/19/35/69/735193569.db2.gz 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/nfs/dbraw/zinc/86/33/42/735863342.db2.gz USDHWVYHDZXRAD-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN CCC(C)(C)NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751937500 735937617 /nfs/dbraw/zinc/93/76/17/735937617.db2.gz PBOJCTRJNRMYBT-UHFFFAOYSA-N 0 0 361.467 2.778 20 10 FFCDRN Cc1ccsc1[C@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000752996351 736029081 /nfs/dbraw/zinc/02/90/81/736029081.db2.gz IBOLJZQJNXRFCM-KRWDZBQOSA-N 0 0 357.479 2.966 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCCc2ccc(F)c(F)c2F)c1 ZINC000753194631 736045008 /nfs/dbraw/zinc/04/50/08/736045008.db2.gz RWJRLLRZBARTLM-UHFFFAOYSA-N 0 0 354.328 2.860 20 10 FFCDRN CO[C@@]1(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CCS(=O)(=O)C1 ZINC000903366084 736082168 /nfs/dbraw/zinc/08/21/68/736082168.db2.gz SLGAFDBKASCTSV-YMTOWFKASA-N 0 0 368.282 2.553 20 10 FFCDRN Cc1cc(Br)cc(CN2CC(=O)N(CC(F)(F)F)C2)c1O ZINC000754157150 736131366 /nfs/dbraw/zinc/13/13/66/736131366.db2.gz ZRFQQXLTGSELTG-UHFFFAOYSA-N 0 0 367.165 2.627 20 10 FFCDRN Cc1ccc(/C=C/C(=O)N2CCCc3ccc(S(C)(=O)=O)cc32)cn1 ZINC000754213329 736135751 /nfs/dbraw/zinc/13/57/51/736135751.db2.gz NHQHLYDBEAJVCF-JXMROGBWSA-N 0 0 356.447 2.786 20 10 FFCDRN C[C@@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756448280 736332103 /nfs/dbraw/zinc/33/21/03/736332103.db2.gz BDBBJGJDQOPPCM-UWVGGRQHSA-N 0 0 359.239 2.955 20 10 FFCDRN C[C@H](NC(=O)C(F)(F)c1nccs1)c1ccc(N2CCOCC2)cc1 ZINC000756486447 736335729 /nfs/dbraw/zinc/33/57/29/736335729.db2.gz SEHIUCLDIYXECF-LBPRGKRZSA-N 0 0 367.421 2.949 20 10 FFCDRN CCS(=O)(=O)CC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756537138 736339730 /nfs/dbraw/zinc/33/97/30/736339730.db2.gz WUXROMAQAPZMSV-QMMMGPOBSA-N 0 0 370.696 2.893 20 10 FFCDRN COCCCN(C)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756613016 736347256 /nfs/dbraw/zinc/34/72/56/736347256.db2.gz NGNUVXAWFSANAU-NSHDSACASA-N 0 0 363.271 2.913 20 10 FFCDRN C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756610120 736347329 /nfs/dbraw/zinc/34/73/29/736347329.db2.gz IDLDIAIMOXUCEK-SDBXPKJASA-N 0 0 374.666 2.926 20 10 FFCDRN CC(C)N1C[C@@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1=O ZINC000756739807 736357139 /nfs/dbraw/zinc/35/71/39/736357139.db2.gz ZEEOUTPMACHOHN-KOLCDFICSA-N 0 0 359.239 2.954 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756763052 736359956 /nfs/dbraw/zinc/35/99/56/736359956.db2.gz XROKEBNZSQDBKE-PELKAZGASA-N 0 0 352.303 2.874 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000756863162 736367842 /nfs/dbraw/zinc/36/78/42/736367842.db2.gz UOIGRWJTMIMFGC-NEPJUHHUSA-N 0 0 352.431 2.566 20 10 FFCDRN C[C@@H](NC(=O)c1cc(Br)nn1C)c1ccc(N(C)C)cc1 ZINC000758059183 736449433 /nfs/dbraw/zinc/44/94/33/736449433.db2.gz UZROAXXGJHKALF-SNVBAGLBSA-N 0 0 351.248 2.740 20 10 FFCDRN C[C@H](OC(=O)c1cccc(O)c1O)C(=O)N1CCSc2ccccc21 ZINC000758556117 736501151 /nfs/dbraw/zinc/50/11/51/736501151.db2.gz DUVXLAAFIOWRCA-NSHDSACASA-N 0 0 359.403 2.782 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3F)CC2)cc1F ZINC000906948441 736564149 /nfs/dbraw/zinc/56/41/49/736564149.db2.gz BZTCHVOLGYUVFL-UHFFFAOYSA-N 0 0 367.783 2.984 20 10 FFCDRN COc1cccc(CNC(=O)c2nn(C(C)C)cc2Br)c1O ZINC000907060141 736578014 /nfs/dbraw/zinc/57/80/14/736578014.db2.gz KZVUNZSEQFSFIW-UHFFFAOYSA-N 0 0 368.231 2.871 20 10 FFCDRN COC(=O)C1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000759580658 736578680 /nfs/dbraw/zinc/57/86/80/736578680.db2.gz PBBHOAYTIHCWEL-UHFFFAOYSA-N 0 0 357.501 2.656 20 10 FFCDRN CCOC(=O)C1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000759589500 736579225 /nfs/dbraw/zinc/57/92/25/736579225.db2.gz JMFQMWMPSRNMQN-UHFFFAOYSA-N 0 0 357.501 2.610 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCCC[C@@H]1C1OCCO1 ZINC000759600371 736579685 /nfs/dbraw/zinc/57/96/85/736579685.db2.gz DVRGAHARHZESCY-GFCCVEGCSA-N 0 0 357.501 2.562 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(Cc3cscn3)CC2)c1O ZINC000761192190 736705780 /nfs/dbraw/zinc/70/57/80/736705780.db2.gz GIRRXURXHMFTLI-UHFFFAOYSA-N 0 0 353.875 2.829 20 10 FFCDRN Cc1ccc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)cc1 ZINC000761566342 736745737 /nfs/dbraw/zinc/74/57/37/736745737.db2.gz CNKYLPICSOUSNE-UHFFFAOYSA-N 0 0 359.407 2.713 20 10 FFCDRN Cc1ncc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)s1 ZINC000761697516 736754670 /nfs/dbraw/zinc/75/46/70/736754670.db2.gz BLMGVKMVHXRXJW-UHFFFAOYSA-N 0 0 365.842 2.817 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCOCC1CCC1 ZINC000762050968 736788258 /nfs/dbraw/zinc/78/82/58/736788258.db2.gz YRKPBLXUJIWVBA-UHFFFAOYSA-N 0 0 352.818 2.627 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2scnc2C2CC2)cc1 ZINC000763119100 736903659 /nfs/dbraw/zinc/90/36/59/736903659.db2.gz PINNWFHMJVTLDR-UHFFFAOYSA-N 0 0 358.467 2.684 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1scnc1C1CC1 ZINC000763138463 736905424 /nfs/dbraw/zinc/90/54/24/736905424.db2.gz KSDYQNAOGLRVHJ-UHFFFAOYSA-N 0 0 368.509 2.714 20 10 FFCDRN CC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)OC(C)(C)C ZINC000763501396 736942966 /nfs/dbraw/zinc/94/29/66/736942966.db2.gz HDTIAHIDGBWITI-MRXNPFEDSA-N 0 0 352.450 2.872 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCC(F)(F)C1 ZINC000763589899 736949999 /nfs/dbraw/zinc/94/99/99/736949999.db2.gz POWVAUXPLKHAMA-ZDUSSCGKSA-N 0 0 357.376 2.649 20 10 FFCDRN Cc1cc(C(=O)CN2CC[S@](=O)C[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000763878843 736975534 /nfs/dbraw/zinc/97/55/34/736975534.db2.gz PFZBBURJXIJZGI-MQNRADLISA-N 0 0 358.507 2.977 20 10 FFCDRN CO[C@H]1CCC[C@@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000764807860 737051987 /nfs/dbraw/zinc/05/19/87/737051987.db2.gz WNDXXURQMPWAKD-MFKMUULPSA-N 0 0 357.248 2.769 20 10 FFCDRN C[C@@H](CC(=O)[O-])CC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000911369108 737195386 /nfs/dbraw/zinc/19/53/86/737195386.db2.gz NFKNGBXIBOVERP-IUODEOHRSA-N 0 0 368.861 2.627 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000804504151 740879409 /nfs/dbraw/zinc/87/94/09/740879409.db2.gz NDKJYGVEAHHYEX-ZDUSSCGKSA-N 0 0 361.467 2.773 20 10 FFCDRN CN=[S@@](C)(=O)CCNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000912798504 737341393 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COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000769865386 737575106 /nfs/dbraw/zinc/57/51/06/737575106.db2.gz OPBSXDKRSHTNEQ-UHFFFAOYSA-N 0 0 357.334 2.566 20 10 FFCDRN COc1ccc(CN(Cc2ccccc2O)[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000770509404 737633960 /nfs/dbraw/zinc/63/39/60/737633960.db2.gz MAAXPXGIOZCOLP-QGZVFWFLSA-N 0 0 361.463 2.590 20 10 FFCDRN C[C@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000770757504 737660325 /nfs/dbraw/zinc/66/03/25/737660325.db2.gz VCMIWZHAZNKVLD-RDJZCZTQSA-N 0 0 363.527 2.854 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cc[nH]c(=O)c2Br)cc1 ZINC000770818844 737664474 /nfs/dbraw/zinc/66/44/74/737664474.db2.gz FTSAKJQKKHQTLT-UHFFFAOYSA-N 0 0 364.243 2.888 20 10 FFCDRN CS(=O)(=O)c1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 ZINC000918156081 737796054 /nfs/dbraw/zinc/79/60/54/737796054.db2.gz KSUMRFNCKIRYHW-SDNWHVSQSA-N 0 0 350.465 2.546 20 10 FFCDRN C[C@H](NS(=O)(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC000773084319 737869637 /nfs/dbraw/zinc/86/96/37/737869637.db2.gz 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CC(C)NS(=O)(=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000922187631 738102602 /nfs/dbraw/zinc/10/26/02/738102602.db2.gz SATRRQZPUOKDEI-UHFFFAOYSA-N 0 0 356.394 2.969 20 10 FFCDRN Cc1cc(Cl)cc(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)c1O ZINC000775717743 738116563 /nfs/dbraw/zinc/11/65/63/738116563.db2.gz JBPZXZUSTSZYMS-KRWDZBQOSA-N 0 0 366.889 2.957 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccnc(N(C)C)n1 ZINC000775845195 738130763 /nfs/dbraw/zinc/13/07/63/738130763.db2.gz DUHUHTASRPHRHG-UHFFFAOYSA-N 0 0 355.467 2.942 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2([C@@H](C)CCO)CCC2)c1 ZINC000776334185 738184050 /nfs/dbraw/zinc/18/40/50/738184050.db2.gz PGFTYIRWXDZMTE-KBPBESRZSA-N 0 0 350.459 2.950 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C1(c2ncccn2)CCOCC1 ZINC000923009523 738230213 /nfs/dbraw/zinc/23/02/13/738230213.db2.gz KQYLIIXTTPOVFW-UHFFFAOYSA-N 0 0 364.243 2.740 20 10 FFCDRN O=C(CC(F)(F)F)NCc1cc(NC(=O)CC(F)(F)F)ccc1O ZINC000923123440 738243390 /nfs/dbraw/zinc/24/33/90/738243390.db2.gz 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C[C@H]([NH2+]C[C@]1(O)CCO[C@@H]1C)c1cc(Br)cc(Cl)c1[O-] ZINC000788626433 739265198 /nfs/dbraw/zinc/26/51/98/739265198.db2.gz SKNACKNZZMSHCR-ATEUNZGCSA-N 0 0 364.667 2.999 20 10 FFCDRN CCOC(CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)OCC ZINC000788662786 739269784 /nfs/dbraw/zinc/26/97/84/739269784.db2.gz SUVJINFQDOIOJA-INIZCTEOSA-N 0 0 351.443 2.689 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000789944197 739398602 /nfs/dbraw/zinc/39/86/02/739398602.db2.gz NCRSPSBVLFFNER-UHFFFAOYSA-N 0 0 364.804 2.848 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000790415726 739450918 /nfs/dbraw/zinc/45/09/18/739450918.db2.gz JLNPYNPTXHJCBH-UHFFFAOYSA-N 0 0 370.358 2.811 20 10 FFCDRN COc1ccc(CN(C)C(=O)c2cccc(O)c2O)cc1OC(F)F ZINC000790532692 739466454 /nfs/dbraw/zinc/46/64/54/739466454.db2.gz ODOXKGZRSOTUST-UHFFFAOYSA-N 0 0 353.321 2.980 20 10 FFCDRN COC(=O)[C@H](NCc1cc(Cl)ccc1O)c1ccc(OC)c(O)c1 ZINC000792180601 739647727 /nfs/dbraw/zinc/64/77/27/739647727.db2.gz 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ZINC000794734460 739925254 /nfs/dbraw/zinc/92/52/54/739925254.db2.gz GRODKEFLKCQXKI-QWRGUYRKSA-N 0 0 364.446 2.529 20 10 FFCDRN O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccoc1 ZINC000795851123 740071049 /nfs/dbraw/zinc/07/10/49/740071049.db2.gz ASPCVORWTHKHDR-AWEZNQCLSA-N 0 0 370.858 2.582 20 10 FFCDRN Cc1nsc(C)c1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000795933632 740081868 /nfs/dbraw/zinc/08/18/68/740081868.db2.gz REYHDNAMINSKKJ-UHFFFAOYSA-N 0 0 361.467 2.641 20 10 FFCDRN O=C(COC(F)F)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000795996465 740088238 /nfs/dbraw/zinc/08/82/38/740088238.db2.gz AUZLAILMZOGJPU-UHFFFAOYSA-N 0 0 350.312 2.612 20 10 FFCDRN CN(CCC(=O)NCCCSc1nccs1)C(=O)OC(C)(C)C ZINC000796423031 740142197 /nfs/dbraw/zinc/14/21/97/740142197.db2.gz YFRRGPLRXSXVSQ-UHFFFAOYSA-N 0 0 359.517 2.999 20 10 FFCDRN CC[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000796699893 740173104 /nfs/dbraw/zinc/17/31/04/740173104.db2.gz BMAUMAMGJWWRRG-QGZVFWFLSA-N 0 0 366.458 2.692 20 10 FFCDRN CC[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)c1ccc(F)cc1[O-] ZINC000796699888 740173154 /nfs/dbraw/zinc/17/31/54/740173154.db2.gz BMAUMAMGJWWRRG-KRWDZBQOSA-N 0 0 366.458 2.692 20 10 FFCDRN C[S@](=O)c1ccc(CC(=O)NCCCSc2nccs2)cc1 ZINC000797873521 740283101 /nfs/dbraw/zinc/28/31/01/740283101.db2.gz MBLIPYXTWRYSDY-QFIPXVFZSA-N 0 0 354.522 2.722 20 10 FFCDRN NC(=O)CCNC(=O)Nc1cccc(NCc2cccc(Cl)c2O)c1 ZINC000798088938 740303021 /nfs/dbraw/zinc/30/30/21/740303021.db2.gz ZYJFQJMSUWNALL-UHFFFAOYSA-N 0 0 362.817 2.655 20 10 FFCDRN COC(=O)c1cc(O)ccc1NS(=O)(=O)/C=C/c1ccccc1F ZINC000799925485 740464789 /nfs/dbraw/zinc/46/47/89/740464789.db2.gz SCVUAPBTAQMYMA-CMDGGOBGSA-N 0 0 351.355 2.731 20 10 FFCDRN CCOc1cccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000800033519 740476056 /nfs/dbraw/zinc/47/60/56/740476056.db2.gz YKTWFZLYBZKJCD-UHFFFAOYSA-N 0 0 352.431 2.769 20 10 FFCDRN COC(=O)NCC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800048968 740478262 /nfs/dbraw/zinc/47/82/62/740478262.db2.gz DPGRGUDHJAJAMX-LBPRGKRZSA-N 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/nfs/dbraw/zinc/90/03/38/740900338.db2.gz UNOFTUXJTVLCRG-UHFFFAOYSA-N 0 0 360.211 2.821 20 10 FFCDRN Cn1cnc2cccc(C(=O)NCc3cc(Br)ccc3O)c21 ZINC000804737079 740901158 /nfs/dbraw/zinc/90/11/58/740901158.db2.gz DHZDRUSTYRHSRY-UHFFFAOYSA-N 0 0 360.211 2.971 20 10 FFCDRN C[S@](=O)c1cccc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804737305 740901527 /nfs/dbraw/zinc/90/15/27/740901527.db2.gz OATREPHAPBNFJV-NRFANRHFSA-N 0 0 368.252 2.822 20 10 FFCDRN COc1cccc([C@@H](O)C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804740727 740902344 /nfs/dbraw/zinc/90/23/44/740902344.db2.gz MLBNLXIVLZDCEP-OAHLLOKOSA-N 0 0 366.211 2.513 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccnc1C(F)(F)F ZINC000805006080 740924829 /nfs/dbraw/zinc/92/48/29/740924829.db2.gz XQRGZZJFGAEFIB-UHFFFAOYSA-N 0 0 373.400 2.953 20 10 FFCDRN CC1(CNC(=O)NCc2cc(Br)ccc2O)CCOCC1 ZINC000805178608 740947673 /nfs/dbraw/zinc/94/76/73/740947673.db2.gz UGXBXBTXKJLQNR-UHFFFAOYSA-N 0 0 357.248 2.771 20 10 FFCDRN CO[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000805449148 740973117 /nfs/dbraw/zinc/97/31/17/740973117.db2.gz HXCGIANTZPOFMV-JSGCOSHPSA-N 0 0 357.248 2.912 20 10 FFCDRN CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)S1(=O)=O ZINC000805772704 741006332 /nfs/dbraw/zinc/00/63/32/741006332.db2.gz JHHUGLWIWHEZHF-HZMBPMFUSA-N 0 0 359.875 2.646 20 10 FFCDRN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000806633726 741076975 /nfs/dbraw/zinc/07/69/75/741076975.db2.gz BHCFJIUNTVWXRA-IINYFYTJSA-N 0 0 363.355 2.753 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(F)c2Cl)cc1F ZINC000806877556 741092253 /nfs/dbraw/zinc/09/22/53/741092253.db2.gz ALUJUGDTTUIERQ-UHFFFAOYSA-N 0 0 367.783 2.939 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(C)ns2)cc1F ZINC000806892986 741093710 /nfs/dbraw/zinc/09/37/10/741093710.db2.gz NTBRVLSEGCWZCX-UHFFFAOYSA-N 0 0 364.446 2.692 20 10 FFCDRN CC(=O)NCC[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000806958979 741098291 /nfs/dbraw/zinc/09/82/91/741098291.db2.gz OPNSCPZCRXYGHQ-AWEZNQCLSA-N 0 0 370.544 2.573 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)CCSC)cc1 ZINC000807053708 741105980 /nfs/dbraw/zinc/10/59/80/741105980.db2.gz BEGIOPXKAJNUCN-HNNXBMFYSA-N 0 0 365.543 2.749 20 10 FFCDRN CS[C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807202082 741119720 /nfs/dbraw/zinc/11/97/20/741119720.db2.gz AQBVFKYKPAZUEF-YSVLISHTSA-N 0 0 363.527 2.720 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC(F)(F)C1 ZINC000807572945 741142207 /nfs/dbraw/zinc/14/22/07/741142207.db2.gz UUOUTECQHYMINE-ZDUSSCGKSA-N 0 0 354.397 2.682 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCCC1(F)F ZINC000807596438 741144305 /nfs/dbraw/zinc/14/43/05/741144305.db2.gz MDJCLXCVNRUKQG-INIZCTEOSA-N 0 0 353.413 2.852 20 10 FFCDRN COC(=O)[C@@H](CF)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000807843323 741163821 /nfs/dbraw/zinc/16/38/21/741163821.db2.gz SYSZZMNAKVHQQD-OAHLLOKOSA-N 0 0 352.793 2.988 20 10 FFCDRN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@@H]2C1 ZINC000808445534 741226427 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COC(=O)COc1ccc(N(C)Cc2c(C(F)(F)F)cnn2C)cc1 ZINC000825498038 743282698 /nfs/dbraw/zinc/28/26/98/743282698.db2.gz SGZSAJIUVDLWRN-UHFFFAOYSA-N 0 0 357.332 2.627 20 10 FFCDRN Cc1nccc(N2CCN(Cc3ccc(Br)cc3O)CC2)n1 ZINC000825513352 743284756 /nfs/dbraw/zinc/28/47/56/743284756.db2.gz HVFCPNVZYAJMTK-UHFFFAOYSA-N 0 0 363.259 2.575 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@@]2(CCCOC2)O1 ZINC000825752407 743322841 /nfs/dbraw/zinc/32/28/41/743322841.db2.gz ACXJIEGHAKLIAV-MLGOLLRUSA-N 0 0 356.260 2.925 20 10 FFCDRN C[C@@H]1SCC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000825831809 743332364 /nfs/dbraw/zinc/33/23/64/743332364.db2.gz CEZGWYOOHQBYNM-KSSFIOAISA-N 0 0 363.527 2.589 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](O)C1CCC1 ZINC000826602861 743403937 /nfs/dbraw/zinc/40/39/37/743403937.db2.gz BKZLVKFWEGTJBR-XJKSGUPXSA-N 0 0 354.397 2.534 20 10 FFCDRN CC(C)C[C@@H](CNC(=O)C1=CC(=O)CS1)NC(=O)C1=CC(=O)CS1 ZINC000827125681 743512725 /nfs/dbraw/zinc/51/27/25/743512725.db2.gz 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ZINC000844507459 748043923 /nfs/dbraw/zinc/04/39/23/748043923.db2.gz SRVMDHBHACEBDP-UHFFFAOYSA-N 0 0 351.790 2.788 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=S)NC[C@H]2CCCCO2)cc1 ZINC000844580805 748054724 /nfs/dbraw/zinc/05/47/24/748054724.db2.gz OHWHXSKZTLHOHG-QGZVFWFLSA-N 0 0 351.516 2.507 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccc(N2CCOCC2)cn1 ZINC000844639512 748061670 /nfs/dbraw/zinc/06/16/70/748061670.db2.gz BQPDELVFXXLIHH-UHFFFAOYSA-N 0 0 362.817 2.599 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)CO1 ZINC000844888902 748126192 /nfs/dbraw/zinc/12/61/92/748126192.db2.gz JHOWJEOFZJKXRG-MAUKXSAKSA-N 0 0 363.527 2.949 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3C[C@H]4[C@@H](C3)C4(F)F)CC2)cc1 ZINC000844945874 748142964 /nfs/dbraw/zinc/14/29/64/748142964.db2.gz YDBHKOVFWDDEQX-IYBDPMFKSA-N 0 0 351.397 2.571 20 10 FFCDRN Cn1cc(CNC(=O)NCc2cc(Cl)ccc2O)c(C(F)(F)F)n1 ZINC000845067508 748172953 /nfs/dbraw/zinc/17/29/53/748172953.db2.gz FZBFBGBLOINCGY-UHFFFAOYSA-N 0 0 362.739 2.797 20 10 FFCDRN COc1ccc(CNS(C)(=O)=O)cc1NCc1cccc2c1CCC2 ZINC000845977714 748369266 /nfs/dbraw/zinc/36/92/66/748369266.db2.gz XMDRKVMZVHRFER-UHFFFAOYSA-N 0 0 360.479 2.845 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCOC[C@@H]2c2ccnn2C)c1 ZINC000846116300 748410508 /nfs/dbraw/zinc/41/05/08/748410508.db2.gz RZCXTTXEXVBTEJ-OAHLLOKOSA-N 0 0 366.259 2.770 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000846205658 748430088 /nfs/dbraw/zinc/43/00/88/748430088.db2.gz JGNWMKIHTSABRE-ZJUUUORDSA-N 0 0 371.250 2.955 20 10 FFCDRN CC(C)[C@H](C(=O)NCc1cc(Cl)ccc1O)N1C[C@@H](C)O[C@H](C)C1 ZINC000846474057 748487620 /nfs/dbraw/zinc/48/76/20/748487620.db2.gz WZJOAMBEPPXKLP-PBFPGSCMSA-N 0 0 354.878 2.796 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCC[C@]1(C)C[C@]1(F)Cl)c1ccc(N(C)C)cc1 ZINC000846732169 748533287 /nfs/dbraw/zinc/53/32/87/748533287.db2.gz GQKBXCWLMFMSIP-JBBXEZCESA-N 0 0 369.868 2.751 20 10 FFCDRN CN(c1ccc(CNC(=O)[C@@H]2CCCS2(=O)=O)cc1)C1CCCCC1 ZINC000847398654 748693121 /nfs/dbraw/zinc/69/31/21/748693121.db2.gz GWUUPMVUQPWJCU-SFHVURJKSA-N 0 0 364.511 2.649 20 10 FFCDRN C[C@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccc(Br)cc1O ZINC000848557797 748960164 /nfs/dbraw/zinc/96/01/64/748960164.db2.gz LMJJTFIXNKHRQQ-ZANVPECISA-N 0 0 367.247 2.975 20 10 FFCDRN C[C@H](C[NH2+]Cc1cccc(Br)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848562004 748961066 /nfs/dbraw/zinc/96/10/66/748961066.db2.gz FFISMZNMSQPVGC-UPJWGTAASA-N 0 0 357.292 2.742 20 10 FFCDRN CC1(C)C(=O)N[C@H]1C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000848918925 749034658 /nfs/dbraw/zinc/03/46/58/749034658.db2.gz OUXHVBPGKPFIIR-HNNXBMFYSA-N 0 0 367.287 2.891 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1cc(F)ccc1OC(F)F ZINC000849243958 749077020 /nfs/dbraw/zinc/07/70/20/749077020.db2.gz PTEAQKYODCJXNC-WQLSENKSSA-N 0 0 358.341 2.730 20 10 FFCDRN CO[C@@H](CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000849387500 749127906 /nfs/dbraw/zinc/12/79/06/749127906.db2.gz NASPTKYXTMXXTR-KDOFPFPSSA-N 0 0 354.516 2.938 20 10 FFCDRN CCc1ccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000849415872 749142934 /nfs/dbraw/zinc/14/29/34/749142934.db2.gz GQZKLJVESIOQAP-CYBMUJFWSA-N 0 0 366.508 2.876 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC[C@H](C)S(=O)(=O)C2)c1 ZINC000850369354 749354417 /nfs/dbraw/zinc/35/44/17/749354417.db2.gz IWFLLWRWBGGIDN-CMPLNLGQSA-N 0 0 362.289 2.518 20 10 FFCDRN CC[C@H]([NH2+]Cc1nnc(COC)[n-]1)c1cc(Br)ccc1O ZINC000850512900 749378648 /nfs/dbraw/zinc/37/86/48/749378648.db2.gz BUVNWXPAYJKLQO-NSHDSACASA-N 0 0 355.236 2.660 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC1(CSC)CC1 ZINC000850626443 749396959 /nfs/dbraw/zinc/39/69/59/749396959.db2.gz VUQZBZMJYJPJFQ-UHFFFAOYSA-N 0 0 364.511 2.780 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(Cl)nc3)C2)cc1 ZINC000851963060 749737654 /nfs/dbraw/zinc/73/76/54/749737654.db2.gz GVSORAQTKJVLJR-CQSZACIVSA-N 0 0 360.845 2.822 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCSC(F)(F)F)C2)cc1 ZINC000851984001 749742873 /nfs/dbraw/zinc/74/28/73/749742873.db2.gz OQVPVHIDCHOZDC-LLVKDONJSA-N 0 0 363.405 2.826 20 10 FFCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCc2cccc(Br)c2O)O1 ZINC000852580100 749896147 /nfs/dbraw/zinc/89/61/47/749896147.db2.gz LWIFTLDSGLTSME-PWSUYJOCSA-N 0 0 357.248 2.912 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCC(N3CCOC3=O)CC2)c1O ZINC000852722854 749932705 /nfs/dbraw/zinc/93/27/05/749932705.db2.gz IYPSQLQJFJPULX-UHFFFAOYSA-N 0 0 352.818 2.665 20 10 FFCDRN Nc1ccc(CC(=O)N2CCC[C@H]2c2nccc(C(F)(F)F)n2)cc1 ZINC000852849698 749964837 /nfs/dbraw/zinc/96/48/37/749964837.db2.gz KFHUXAIWHHPYOX-ZDUSSCGKSA-N 0 0 350.344 2.984 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CN(C(C)=O)C2 ZINC000853027750 749987781 /nfs/dbraw/zinc/98/77/81/749987781.db2.gz FZNCQCAQPKBNEX-UHFFFAOYSA-N 0 0 360.435 2.618 20 10 FFCDRN CS(=O)(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000853954855 750209144 /nfs/dbraw/zinc/20/91/44/750209144.db2.gz UOCJXYPBIJOQAG-UHFFFAOYSA-N 0 0 360.479 2.663 20 10 FFCDRN Nc1ccc(Cc2noc([C@@H](C[C@@H]3COCCO3)C(F)(F)F)n2)cc1 ZINC000854133767 750246327 /nfs/dbraw/zinc/24/63/27/750246327.db2.gz JQLRABIMVYWWJE-CHWSQXEVSA-N 0 0 357.332 2.694 20 10 FFCDRN Cc1ccn([C@H](C)CC(=O)NCc2cc(Br)ccc2O)n1 ZINC000854442261 750309091 /nfs/dbraw/zinc/30/90/91/750309091.db2.gz LZOUEIGOUJHTST-LLVKDONJSA-N 0 0 352.232 2.927 20 10 FFCDRN CCc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000049740570 845191645 /nfs/dbraw/zinc/19/16/45/845191645.db2.gz TWRTYGKJTXQTOZ-UHFFFAOYSA-N 0 0 360.479 2.564 20 10 FFCDRN C[C@H](NC(=O)CCOCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000068513184 845524286 /nfs/dbraw/zinc/52/42/86/845524286.db2.gz PBIUVHUYFVVOKC-ZDUSSCGKSA-N 0 0 360.376 2.669 20 10 FFCDRN COC(=O)Cc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000391498218 845846879 /nfs/dbraw/zinc/84/68/79/845846879.db2.gz HWWWVNOSRKTNLW-UHFFFAOYSA-N 0 0 355.799 2.562 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCC(=O)N1CCCCC1 ZINC000840252463 970843011 /nfs/dbraw/zinc/84/30/11/970843011.db2.gz CIZVMDSXJAYLDR-QGZVFWFLSA-N 0 0 374.529 2.694 20 10 FFCDRN O=C(CC[C@@H]1CC[C@@H](C2OCCO2)O1)NCc1ccc(N2CCCC2)cc1 ZINC000895710591 970871649 /nfs/dbraw/zinc/87/16/49/970871649.db2.gz JLJWLIRBBMEBLO-OALUTQOASA-N 0 0 374.481 2.604 20 10 FFCDRN CC(C)(C)N1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1=O ZINC000895710813 970872208 /nfs/dbraw/zinc/87/22/08/970872208.db2.gz KUQOPHOLUSWJKN-SFHVURJKSA-N 0 0 357.498 2.940 20 10 FFCDRN COc1ccc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000895772804 970934398 /nfs/dbraw/zinc/93/43/98/970934398.db2.gz UYNRCDGTGPSXRG-UHFFFAOYSA-N 0 0 371.506 2.892 20 10 FFCDRN CN(c1ccc(CNC(=O)NCCCn2ccnn2)cc1)C1CCCCC1 ZINC000182347473 971020461 /nfs/dbraw/zinc/02/04/61/971020461.db2.gz WTAAROIIMYJJLR-UHFFFAOYSA-N 0 0 370.501 2.937 20 10 FFCDRN CCn1cnc2c1ncnc2NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840326292 971082674 /nfs/dbraw/zinc/08/26/74/971082674.db2.gz CPCNXLGCHYUDGU-UHFFFAOYSA-N 0 0 374.395 2.573 20 10 FFCDRN CNC(=O)c1cncc(C=CC(=O)N2C[C@H]3CCC(=O)c4cccc2c43)c1 ZINC000184386114 971189158 /nfs/dbraw/zinc/18/91/58/971189158.db2.gz 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2.783 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@@H](Cc2cncs2)C1=O ZINC000871902795 1013105077 /nfs/dbraw/zinc/10/50/77/1013105077.db2.gz GEGKDWIARMTFNU-DYVFJYSZSA-N 0 0 372.494 2.612 20 10 FFCDRN Cc1cccc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000123740027 971745460 /nfs/dbraw/zinc/74/54/60/971745460.db2.gz LUPMZVWPFOIUOG-UHFFFAOYSA-N 0 0 354.454 2.568 20 10 FFCDRN CCCNC(=O)[C@@H]1CN(Cc2cc(OC)ccc2O)c2ccccc2O1 ZINC000194730418 971892372 /nfs/dbraw/zinc/89/23/72/971892372.db2.gz QVRVJKPMOCZPNR-IBGZPJMESA-N 0 0 356.422 2.695 20 10 FFCDRN CC(C)Oc1ccc(N(C)CC(=O)N2CCN(Cc3ccco3)CC2)cc1 ZINC000759914114 971959325 /nfs/dbraw/zinc/95/93/25/971959325.db2.gz IBGZEGODYRYZCF-UHFFFAOYSA-N 0 0 371.481 2.847 20 10 FFCDRN C[C@@H](O)C[C@@H](C)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888591990 1013131508 /nfs/dbraw/zinc/13/15/08/1013131508.db2.gz MYCZPDFDJKFBCB-ZIAGYGMSSA-N 0 0 353.426 2.925 20 10 FFCDRN COC(=O)c1c(C[NH2+]CCCCCC(=O)[O-])c2cc(F)ccc2n1C ZINC001593867069 955589812 /nfs/dbraw/zinc/58/98/12/955589812.db2.gz WSVQSSNCHQGTGM-UHFFFAOYSA-N 0 0 350.390 2.839 20 10 FFCDRN Cc1nc(CN2CCN(Cc3ccc(N4CCOCC4)cc3)CC2)cs1 ZINC000123943379 1013140717 /nfs/dbraw/zinc/14/07/17/1013140717.db2.gz UNFUOTXHMQQWCP-UHFFFAOYSA-N 0 0 372.538 2.606 20 10 FFCDRN CC(=O)[C@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1ccc(Cl)cc1O ZINC001275892862 1013149777 /nfs/dbraw/zinc/14/97/77/1013149777.db2.gz LIQWLEKJDOBHNH-ORAYPTAESA-N 0 0 364.873 2.980 20 10 FFCDRN COc1ccc(C[NH2+]Cc2ccccc2C(=O)[O-])cc1Cn1cccn1 ZINC001594095804 958398778 /nfs/dbraw/zinc/39/87/78/958398778.db2.gz AUYUNZLMQFUJHO-UHFFFAOYSA-N 0 0 351.406 2.928 20 10 FFCDRN Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC001594373390 958564785 /nfs/dbraw/zinc/56/47/85/958564785.db2.gz XTYQVXSYTSRXON-FNHZYXHNSA-N 0 0 368.433 2.778 20 10 FFCDRN CN1CCCc2cc(CNC(=O)CN3Cc4ccccc4OC3=O)ccc21 ZINC000843539398 959207118 /nfs/dbraw/zinc/20/71/18/959207118.db2.gz VACVJLNGGQPKRK-UHFFFAOYSA-N 0 0 365.433 2.700 20 10 FFCDRN O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890757924 960315618 /nfs/dbraw/zinc/31/56/18/960315618.db2.gz NEDJJJUPHVDVTH-QGZVFWFLSA-N 0 0 372.852 2.896 20 10 FFCDRN CCCCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001275957959 1013231246 /nfs/dbraw/zinc/23/12/46/1013231246.db2.gz ZOOLNHXNGQMYGW-LJQANCHMSA-N 0 0 366.408 2.812 20 10 FFCDRN COCCCN1CCC2(CC[NH+](Cc3c(F)ccc(F)c3[O-])CC2)C1=O ZINC001275956377 1013226317 /nfs/dbraw/zinc/22/63/17/1013226317.db2.gz FSFWYSJNXXLAJQ-UHFFFAOYSA-N 0 0 368.424 2.521 20 10 FFCDRN C[C@@H](NC(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000773390165 1013266776 /nfs/dbraw/zinc/26/67/76/1013266776.db2.gz JFNKVAQDQMZCBF-QAPCUYQASA-N 0 0 372.513 2.904 20 10 FFCDRN C[C@@H](Oc1ccccc1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000008213649 1013290000 /nfs/dbraw/zinc/29/00/00/1013290000.db2.gz MFVYARAVWPPKSP-MRXNPFEDSA-N 0 0 370.449 2.722 20 10 FFCDRN CC[C@@](C)(NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000891084457 961903228 /nfs/dbraw/zinc/90/32/28/961903228.db2.gz QSNPNTHWMSCLFR-OAQYLSRUSA-N 0 0 372.513 2.766 20 10 FFCDRN O=C(NCC(F)(F)F)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001276030912 1013296046 /nfs/dbraw/zinc/29/60/46/1013296046.db2.gz BKMKJCMHJYDTAX-LBPRGKRZSA-N 0 0 360.351 2.812 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](COC)[C@H]1CCCOC1 ZINC000891185368 962192544 /nfs/dbraw/zinc/19/25/44/962192544.db2.gz SUKFJFLOASPGID-PKOBYXMFSA-N 0 0 363.502 2.726 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1c(=O)[nH]nc(CC)c1CC ZINC000160434675 962434752 /nfs/dbraw/zinc/43/47/52/962434752.db2.gz USLLVBWXHQYNSV-UHFFFAOYSA-N 0 0 372.469 2.722 20 10 FFCDRN COC(C)(C)CN1C[C@@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1F ZINC001276038383 1013350221 /nfs/dbraw/zinc/35/02/21/1013350221.db2.gz VECUVUFHZHTQAH-FQEVSTJZSA-N 0 0 364.461 2.913 20 10 FFCDRN COC(=O)[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000891244643 962549841 /nfs/dbraw/zinc/54/98/41/962549841.db2.gz KEBDYKYSQYVIIS-SJLPKXTDSA-N 0 0 359.470 2.627 20 10 FFCDRN Cc1ncccc1/C=C\C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249235 962582424 /nfs/dbraw/zinc/58/24/24/962582424.db2.gz POUYDXGYYMWSFG-KTZABMDBSA-N 0 0 352.482 2.888 20 10 FFCDRN COc1ccc(C[NH2+][C@]2(CO)CCc3ccccc32)cc1Cn1cccn1 ZINC000873090026 1013381824 /nfs/dbraw/zinc/38/18/24/1013381824.db2.gz MKZDFWZQLMDPGA-QFIPXVFZSA-N 0 0 363.461 2.864 20 10 FFCDRN C[NH+]1CCN(c2ccc(CNc3ncc(OCC4CC4)cn3)cc2)CC1 ZINC001167426514 963026882 /nfs/dbraw/zinc/02/68/82/963026882.db2.gz HOZOVAOREBRUDZ-UHFFFAOYSA-N 0 0 353.470 2.629 20 10 FFCDRN CCC[C@H]1CN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCO1 ZINC000160589767 963053854 /nfs/dbraw/zinc/05/38/54/963053854.db2.gz ZLVQEKPNSHABJP-LPHOPBHVSA-N 0 0 361.486 2.795 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NC[C@@H]3CC(C)(C)CO3)CC2)cc1 ZINC000873120967 1013394205 /nfs/dbraw/zinc/39/42/05/1013394205.db2.gz BXQUGQUBZYHXJR-SFHVURJKSA-N 0 0 361.486 2.778 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CN1Cc2ccccc2OC1=O ZINC000843550538 963224354 /nfs/dbraw/zinc/22/43/54/963224354.db2.gz KWLFMGIWKNYFBZ-UHFFFAOYSA-N 0 0 353.422 2.692 20 10 FFCDRN COC(=O)Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(Cl)c1 ZINC001150487626 1013416633 /nfs/dbraw/zinc/41/66/33/1013416633.db2.gz GVIGVXCHICTOIH-UHFFFAOYSA-N 0 0 364.785 2.902 20 10 FFCDRN CCN(CC)c1ccc(CNc2ccc3c(c2)S(=O)(=O)CC(=O)N3)cc1 ZINC000873199412 1013421542 /nfs/dbraw/zinc/42/15/42/1013421542.db2.gz PTFBWZNGHUQSLI-UHFFFAOYSA-N 0 0 373.478 2.871 20 10 FFCDRN Cc1cccc(C)c1NC(=O)CN(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403611 963571281 /nfs/dbraw/zinc/57/12/81/963571281.db2.gz RCIAKABSWDVUER-NTMALXAHSA-N 0 0 354.406 2.825 20 10 FFCDRN COCCCN1CC2(CCC1=O)CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001276085699 1013431923 /nfs/dbraw/zinc/43/19/23/1013431923.db2.gz JSCNHEAIYSLFSH-UHFFFAOYSA-N 0 0 364.461 2.772 20 10 FFCDRN COc1ccc(-n2ccc(CNC(=O)/C=C\c3ccc(O)c(O)c3)n2)cc1 ZINC000588408048 963726334 /nfs/dbraw/zinc/72/63/34/963726334.db2.gz BFXJBSQGGMTVQJ-OQFOIZHKSA-N 0 0 365.389 2.622 20 10 FFCDRN CCOC1CC2(C[C@H]2NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1 ZINC000873268608 1013453520 /nfs/dbraw/zinc/45/35/20/1013453520.db2.gz FNHXCDKSOPSUMI-OBXNSHGQSA-N 0 0 373.497 2.622 20 10 FFCDRN CCOC1CC2(C[C@@H]2NC(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000873273235 1013455681 /nfs/dbraw/zinc/45/56/81/1013455681.db2.gz ZKWOGBQHGVONNW-SCCNAQOGSA-N 0 0 373.497 2.921 20 10 FFCDRN C[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)n1ccc(C(F)(F)F)n1 ZINC001126439604 964570271 /nfs/dbraw/zinc/57/02/71/964570271.db2.gz BNQNGYJAUFQILI-NSHDSACASA-N 0 0 368.359 2.955 20 10 FFCDRN C[C@@H]1CCC[C@@]1(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894591217 965497001 /nfs/dbraw/zinc/49/70/01/965497001.db2.gz AYRDEEVPJDJIPT-QVKFZJNVSA-N 0 0 357.498 2.831 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)c3cc(F)ccc3F)cc2)CC1 ZINC000894594639 965509049 /nfs/dbraw/zinc/50/90/49/965509049.db2.gz BEBKTLSMFCJAEF-UHFFFAOYSA-N 0 0 373.403 2.597 20 10 FFCDRN Cc1cc(F)cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1 ZINC000894597169 965510179 /nfs/dbraw/zinc/51/01/79/965510179.db2.gz GTCHDZCGKGZFPN-UHFFFAOYSA-N 0 0 369.440 2.766 20 10 FFCDRN Cc1ccccc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894597559 965510738 /nfs/dbraw/zinc/51/07/38/965510738.db2.gz MVGGWWWWEFOZGG-UHFFFAOYSA-N 0 0 351.450 2.627 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)cc1C ZINC000894598315 965513141 /nfs/dbraw/zinc/51/31/41/965513141.db2.gz YROCNLGABXURIO-UHFFFAOYSA-N 0 0 365.477 2.935 20 10 FFCDRN COc1cc(C)cc(CNc2ccc(C)c(N3C(=O)CNC3=O)c2)c1O ZINC000894626877 965538980 /nfs/dbraw/zinc/53/89/80/965538980.db2.gz DBILOGZCHXJNOO-UHFFFAOYSA-N 0 0 355.394 2.686 20 10 FFCDRN COC(=O)c1c(CNCc2cnc3n2CCCC3)c2cc(F)ccc2n1C ZINC000894699314 965616162 /nfs/dbraw/zinc/61/61/62/965616162.db2.gz UAZSCIRCUDKRRV-UHFFFAOYSA-N 0 0 370.428 2.927 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccccc2CCSC)c1O ZINC000873722583 1013607472 /nfs/dbraw/zinc/60/74/72/1013607472.db2.gz GZXFURWHMGWIPD-UHFFFAOYSA-N 0 0 374.462 2.561 20 10 FFCDRN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000892115379 966002048 /nfs/dbraw/zinc/00/20/48/966002048.db2.gz OEGBEKQMAPKJOF-RDTXWAMCSA-N 0 0 361.461 2.941 20 10 FFCDRN COc1ccc(CNc2ccc(CN3CCOC3=O)cc2)c(O)c1OC ZINC000892270561 966675795 /nfs/dbraw/zinc/67/57/95/966675795.db2.gz LAVOZWUWRQRRDO-UHFFFAOYSA-N 0 0 358.394 2.974 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(C)c(N3CCCC3)c2)c1 ZINC000873953179 1013707869 /nfs/dbraw/zinc/70/78/69/1013707869.db2.gz NRDGJUGNBHTCGF-UHFFFAOYSA-N 0 0 367.449 2.864 20 10 FFCDRN COC(=O)c1c(CN2CCC[C@@H](n3ccnn3)C2)c2cc(F)ccc2n1C ZINC000895053451 967251565 /nfs/dbraw/zinc/25/15/65/967251565.db2.gz JYKJVRNWOGEZJZ-CQSZACIVSA-N 0 0 371.416 2.533 20 10 FFCDRN CCc1nccn1[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000843774071 967464140 /nfs/dbraw/zinc/46/41/40/967464140.db2.gz HCOKBBGKNUNRFZ-INIZCTEOSA-N 0 0 356.470 2.550 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)NC(=O)NCc1ccco1 ZINC000007129613 967591184 /nfs/dbraw/zinc/59/11/84/967591184.db2.gz FUBRDEOKZBARBB-UHFFFAOYSA-N 0 0 370.434 2.798 20 10 FFCDRN Cc1ccc(C)c(N2N=C(C(=O)NCc3cccc(O)c3O)CCC2=O)c1 ZINC001176565301 1013733587 /nfs/dbraw/zinc/73/35/87/1013733587.db2.gz JKQJZKSNGLLEKM-UHFFFAOYSA-N 0 0 367.405 2.514 20 10 FFCDRN C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1cccc(O)c1O ZINC001176564590 1013733708 /nfs/dbraw/zinc/73/37/08/1013733708.db2.gz CAJXWPWWKBMXLL-SNVBAGLBSA-N 0 0 366.211 2.944 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)/C=C/C3CCCC3)CC2)cc1 ZINC000843776544 967629058 /nfs/dbraw/zinc/62/90/58/967629058.db2.gz PCRVZTFQKHNWRC-IZZDOVSWSA-N 0 0 357.498 2.680 20 10 FFCDRN CC(C)C(=O)NCCCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000124793843 1013736780 /nfs/dbraw/zinc/73/67/80/1013736780.db2.gz ATMWZSNIAWOPKZ-UHFFFAOYSA-N 0 0 374.529 2.884 20 10 FFCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)ncn1 ZINC000161850541 967665192 /nfs/dbraw/zinc/66/51/92/967665192.db2.gz YFNANFZSHNUIOX-SFHVURJKSA-N 0 0 354.454 2.672 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1ccc(Br)cc1[N+](=O)[O-] ZINC001176748185 1013764744 /nfs/dbraw/zinc/76/47/44/1013764744.db2.gz LZJWWYWZNXJVMB-UHFFFAOYSA-N 0 0 367.155 2.699 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCc3cncc(C)c3)CC2)cc1 ZINC000179328745 968607871 /nfs/dbraw/zinc/60/78/71/968607871.db2.gz MBSNUDWYWJUNCO-UHFFFAOYSA-N 0 0 354.454 2.821 20 10 FFCDRN COc1cccc([C@@H](C)N2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)c1 ZINC000825737360 1013835241 /nfs/dbraw/zinc/83/52/41/1013835241.db2.gz ZWEPDZORMDLCRR-CYBMUJFWSA-N 0 0 374.412 2.765 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCN(C(=O)C3CCCCC3)CC2)c1O ZINC000177269017 969152800 /nfs/dbraw/zinc/15/28/00/969152800.db2.gz DYAQGONPVMOQLR-UHFFFAOYSA-N 0 0 362.445 2.958 20 10 FFCDRN C[C@@H](NC(=O)N(C)CC(=O)NCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000773614932 1013853945 /nfs/dbraw/zinc/85/39/45/1013853945.db2.gz UVCDYHDZHUEYHN-MRXNPFEDSA-N 0 0 368.481 2.771 20 10 FFCDRN COc1cccc([C@@H](O)CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773611578 1013859651 /nfs/dbraw/zinc/85/96/51/1013859651.db2.gz OVRWLYJFNSFLFU-LIRRHRJNSA-N 0 0 357.454 2.855 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NC3CC4(C3)CO[C@@H](C)C4)CC2)cc1 ZINC000892675374 969802198 /nfs/dbraw/zinc/80/21/98/969802198.db2.gz QLYLAWGCTIXGEO-NNDYNSRJSA-N 0 0 373.497 2.921 20 10 FFCDRN Cc1cc(CN2CCN(c3ccc(OC(F)(F)F)cc3)CC2)n(C)n1 ZINC001205941016 1032077002 /nfs/dbraw/zinc/07/70/02/1032077002.db2.gz ICIVATKWDUZQSE-UHFFFAOYSA-N 0 0 354.376 2.949 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H]2CC23CC(O)C3)CCCC1 ZINC000888949039 970390808 /nfs/dbraw/zinc/39/08/08/970390808.db2.gz SGZOFFVWWFYMOG-WLWLVNLQSA-N 0 0 354.450 2.558 20 10 FFCDRN Cn1cc([C@H]2C[S@](=O)CCN2Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000895376839 970520837 /nfs/dbraw/zinc/52/08/37/970520837.db2.gz ZWGGRUMNVGXPDI-FQRUVTKNSA-N 0 0 372.538 2.716 20 10 FFCDRN C[C@H](NC(=O)N[C@H]1CCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000875277177 1014005121 /nfs/dbraw/zinc/00/51/21/1014005121.db2.gz WMTSJIPSCWXUOT-WFASDCNBSA-N 0 0 357.385 2.697 20 10 FFCDRN C[C@@H](Oc1ccccn1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000825776992 1014005183 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C[C@]1(NC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOC1 ZINC000125519525 1014055440 /nfs/dbraw/zinc/05/54/40/1014055440.db2.gz QQBKEWUAMIXBRC-UGSOOPFHSA-N 0 0 369.412 2.735 20 10 FFCDRN C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)C(=O)N1c2ccccc2C[C@@H]1C ZINC000875649060 1014058420 /nfs/dbraw/zinc/05/84/20/1014058420.db2.gz ZKRCILYBFPCPIS-UONOGXRCSA-N 0 0 365.433 2.784 20 10 FFCDRN C[C@H](NC(=O)N(C)C[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000125064404 973054752 /nfs/dbraw/zinc/05/47/52/973054752.db2.gz MONJGUHLEGEXCQ-QFBILLFUSA-N 0 0 361.486 2.795 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000875870290 1014089782 /nfs/dbraw/zinc/08/97/82/1014089782.db2.gz RVBACGDTVRBUAY-VLKZTRAZSA-N 0 0 362.470 2.895 20 10 FFCDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccnn1C ZINC000876275903 1014206946 /nfs/dbraw/zinc/20/69/46/1014206946.db2.gz APHIOXKNBLABJF-HOCLYGCPSA-N 0 0 358.442 2.578 20 10 FFCDRN CCCCN1C(=O)c2ccc(C(=O)NCCc3ccc(N)cc3)cc2C1=O ZINC000236748913 974807856 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/nfs/dbraw/zinc/24/65/09/1002246509.db2.gz KYBSCORZQWDHBI-PKOBYXMFSA-N 0 0 355.482 2.764 20 10 FFCDRN Nc1nc(COC(=O)c2cccc(O)c2O)nc2sc3c(c21)CCCC3 ZINC000790074707 1002264435 /nfs/dbraw/zinc/26/44/35/1002264435.db2.gz SCJWOZMSUTZSLJ-UHFFFAOYSA-N 0 0 371.418 2.921 20 10 FFCDRN CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@@H+]1Cc1cc(C(C)(C)C)cc(O)c1O ZINC000774686611 1002409708 /nfs/dbraw/zinc/40/97/08/1002409708.db2.gz GTUYWBJIVDTHDS-JKSUJKDBSA-N 0 0 365.470 2.938 20 10 FFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)[C@H](O)Cc1ccc(O)cc1 ZINC001183904643 1002424522 /nfs/dbraw/zinc/42/45/22/1002424522.db2.gz WWZAIHNUBHZLRA-MRXNPFEDSA-N 0 0 372.808 2.519 20 10 FFCDRN C[NH+](C)CCCCC(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001184059677 1002484310 /nfs/dbraw/zinc/48/43/10/1002484310.db2.gz MGXLJWNYZGRFRN-UHFFFAOYSA-N 0 0 366.417 2.838 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000790927929 1002512961 /nfs/dbraw/zinc/51/29/61/1002512961.db2.gz NBNDMZZQXITOKC-UHFFFAOYSA-N 0 0 353.353 2.621 20 10 FFCDRN CC(C)(C)[C@H](NC(=O)c1cccc(O)c1O)C(=O)OCc1ccccc1 ZINC000790917088 1002518801 /nfs/dbraw/zinc/51/88/01/1002518801.db2.gz QRNGDWXPFXBCEU-QGZVFWFLSA-N 0 0 357.406 2.986 20 10 FFCDRN COC(=O)CCCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000791019182 1002547804 /nfs/dbraw/zinc/54/78/04/1002547804.db2.gz FXYORPMAGOMHMW-UHFFFAOYSA-N 0 0 351.358 2.744 20 10 FFCDRN Nc1c(C(=O)OCc2nccs2)ccc2c1C(=O)c1ccccc1C2=O ZINC000746965098 1002554511 /nfs/dbraw/zinc/55/45/11/1002554511.db2.gz LJHVLOYETZOMRT-UHFFFAOYSA-N 0 0 364.382 2.858 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@H](N3CCC3)[C@@H](F)C2)c(C)n1-c1ccccn1 ZINC000791259656 1002626828 /nfs/dbraw/zinc/62/68/28/1002626828.db2.gz PVHVHFWDEKRSOC-ZWKOTPCHSA-N 0 0 356.445 2.747 20 10 FFCDRN COC(=O)c1cc(NS(=O)(=O)c2ccc(-c3cnco3)cc2)ccc1O ZINC001185221128 1002869095 /nfs/dbraw/zinc/86/90/95/1002869095.db2.gz IXULDWPGTQEDGT-UHFFFAOYSA-N 0 0 374.374 2.635 20 10 FFCDRN CC(C)OC(=O)CC[C@H](C)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000792060423 1002895822 /nfs/dbraw/zinc/89/58/22/1002895822.db2.gz WXWDPNIMRMBYTP-HNNXBMFYSA-N 0 0 361.486 2.989 20 10 FFCDRN C[C@H](NC(=O)N1CCC[C@](C)(O)CC1)c1ccc(N2CCOCC2)cc1 ZINC000792050714 1002904546 /nfs/dbraw/zinc/90/45/46/1002904546.db2.gz KALPEGDQCQGEMG-JXFKEZNVSA-N 0 0 361.486 2.531 20 10 FFCDRN CN(c1ccccc1)c1cc(NCC(=O)c2ccc(O)c(O)c2)ncn1 ZINC001170315898 1003106786 /nfs/dbraw/zinc/10/67/86/1003106786.db2.gz JABGDIDJCYTPFM-UHFFFAOYSA-N 0 0 350.378 2.951 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1cnn(-c2ccccc2)c1)c1ccc(N(C)C)cc1 ZINC000773085019 1003137816 /nfs/dbraw/zinc/13/78/16/1003137816.db2.gz VZQFYRVMQXUNPT-OAHLLOKOSA-N 0 0 370.478 2.978 20 10 FFCDRN CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(C)c2O)cc1Cl ZINC001186125579 1003181668 /nfs/dbraw/zinc/18/16/68/1003181668.db2.gz LMEPKACMWCQGQG-UHFFFAOYSA-N 0 0 368.842 2.791 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c(O)c1 ZINC000792776420 1003186803 /nfs/dbraw/zinc/18/68/03/1003186803.db2.gz RHVLEJPRJSWDHN-ZDUSSCGKSA-N 0 0 367.409 2.542 20 10 FFCDRN COCCC1(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CCC1 ZINC000792921143 1003233458 /nfs/dbraw/zinc/23/34/58/1003233458.db2.gz JOFDQWBLFBIDAN-INIZCTEOSA-N 0 0 361.486 2.843 20 10 FFCDRN C[C@@H](NC(=O)N1C[C@@]2(CCOC2)OC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC000793061369 1003275590 /nfs/dbraw/zinc/27/55/90/1003275590.db2.gz HJTSDWLZYQVZCA-FOIQADDNSA-N 0 0 361.486 2.793 20 10 FFCDRN COc1c([O-])c(C[NH2+]CCc2nnc(-c3ccccc3)o2)ccc1[N+](=O)[O-] ZINC000775035368 1003374147 /nfs/dbraw/zinc/37/41/47/1003374147.db2.gz ZBZISTOWIUWBCZ-UHFFFAOYSA-N 0 0 370.365 2.691 20 10 FFCDRN COc1c(O)c(CN2CCO[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775052532 1003433849 /nfs/dbraw/zinc/43/38/49/1003433849.db2.gz UYWJJGMDBBAMGH-INIZCTEOSA-N 0 0 358.394 2.753 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](C)CCNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000793601616 1003437593 /nfs/dbraw/zinc/43/75/93/1003437593.db2.gz PQJDFABLORTGHY-LLVKDONJSA-N 0 0 369.418 2.702 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3Cc4ccc(F)cc43)CC2)cc1F ZINC000793634161 1003451388 /nfs/dbraw/zinc/45/13/88/1003451388.db2.gz RNQNFDYXGIYUFZ-KRWDZBQOSA-N 0 0 358.388 2.962 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCOC1CCCC1 ZINC000793678327 1003460995 /nfs/dbraw/zinc/46/09/95/1003460995.db2.gz XBRWRFHZQYRSBC-UHFFFAOYSA-N 0 0 362.470 2.596 20 10 FFCDRN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)c(O)c1 ZINC000794370602 1003608146 /nfs/dbraw/zinc/60/81/46/1003608146.db2.gz QNMDNZNVMJKEIK-ZDUSSCGKSA-N 0 0 374.824 2.724 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c(O)c1 ZINC000794374352 1003619688 /nfs/dbraw/zinc/61/96/88/1003619688.db2.gz PZFYAMAHYJAEPD-HNNXBMFYSA-N 0 0 364.442 2.663 20 10 FFCDRN COc1ccc(CNC(=O)c2c[nH]nc2-c2c(F)cccc2F)c(O)c1 ZINC000794378631 1003620931 /nfs/dbraw/zinc/62/09/31/1003620931.db2.gz ZYHGWCYVTHQOID-UHFFFAOYSA-N 0 0 359.332 2.999 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c(O)c1 ZINC000794386784 1003622641 /nfs/dbraw/zinc/62/26/41/1003622641.db2.gz AILQDPLJSZECFZ-SFHVURJKSA-N 0 0 357.406 2.889 20 10 FFCDRN CCc1ccc(N2C[C@@H](C(=O)NCc3ccc(OC)cc3O)CC2=O)cc1 ZINC000794390184 1003623726 /nfs/dbraw/zinc/62/37/26/1003623726.db2.gz ZVBVAEOAJIXKIG-INIZCTEOSA-N 0 0 368.433 2.633 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000804460009 1003672378 /nfs/dbraw/zinc/67/23/78/1003672378.db2.gz FBSFLNAKVQMAGX-UHFFFAOYSA-N 0 0 374.510 2.853 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCc3cccnc3OC)CC2)cc1 ZINC000102442688 1003777422 /nfs/dbraw/zinc/77/74/22/1003777422.db2.gz MEPGQPJNDFKJSP-UHFFFAOYSA-N 0 0 370.453 2.567 20 10 FFCDRN Cc1c(Br)cccc1S(=O)(=O)NCc1ccc(O)c(O)c1 ZINC001196569284 1003819507 /nfs/dbraw/zinc/81/95/07/1003819507.db2.gz ZIOXOLMGNBYYKX-UHFFFAOYSA-N 0 0 372.240 2.647 20 10 FFCDRN C[C@H](NC(=O)Nc1ccc2c(c1)NC(=O)CO2)c1ccc(N(C)C)cc1 ZINC000775464162 1003866235 /nfs/dbraw/zinc/86/62/35/1003866235.db2.gz KMGVUGYYSKUOAO-LBPRGKRZSA-N 0 0 354.410 2.966 20 10 FFCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1nc(C)cs1 ZINC000804881096 1003887357 /nfs/dbraw/zinc/88/73/57/1003887357.db2.gz QTPYQVMNTIWLHX-INIZCTEOSA-N 0 0 374.510 2.710 20 10 FFCDRN COc1ccc(F)c(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001196752509 1003949352 /nfs/dbraw/zinc/94/93/52/1003949352.db2.gz ABXHTKIXXDFJKZ-UHFFFAOYSA-N 0 0 352.431 2.721 20 10 FFCDRN O=C(c1ccc(OCC2CCOCC2)nc1)N1CCc2cccc(O)c2C1 ZINC001191919802 1003997161 /nfs/dbraw/zinc/99/71/61/1003997161.db2.gz RJEWVUJJIGJTEI-UHFFFAOYSA-N 0 0 368.433 2.791 20 10 FFCDRN O=S(=O)(NCCn1ccnn1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197153459 1004104136 /nfs/dbraw/zinc/10/41/36/1004104136.db2.gz CAERQFABGOBESE-FMQUCBEESA-N 0 0 356.411 2.672 20 10 FFCDRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c3ccccc23)ccc1O ZINC001197240486 1004136330 /nfs/dbraw/zinc/13/63/30/1004136330.db2.gz DTWMUWCMMCVOFS-UHFFFAOYSA-N 0 0 373.386 2.838 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(C[S@@](C)=O)cc1 ZINC000805869532 1004164603 /nfs/dbraw/zinc/16/46/03/1004164603.db2.gz VAUUXDUNNWXOKZ-AREMUKBSSA-N 0 0 373.522 2.939 20 10 FFCDRN COC(=O)c1ccnc(CNC(=S)Nc2c(F)c(F)cc(F)c2F)c1 ZINC001197415036 1004215457 /nfs/dbraw/zinc/21/54/57/1004215457.db2.gz XKBTZRZAWSLKIC-UHFFFAOYSA-N 0 0 373.331 2.911 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H](C)c2ccc[nH]2)cc1 ZINC000806527825 1004355258 /nfs/dbraw/zinc/35/52/58/1004355258.db2.gz QHFVCPHRTUGGSH-HNNXBMFYSA-N 0 0 356.470 2.697 20 10 FFCDRN COc1cc(C(=O)Nc2nc(Br)ccc2OC)cc(O)c1O ZINC001193081009 1004364451 /nfs/dbraw/zinc/36/44/51/1004364451.db2.gz HSWGKKJPXXKOCS-UHFFFAOYSA-N 0 0 369.171 2.525 20 10 FFCDRN COc1cc(C(=O)N2CCC3(CC2)OCCc2ccccc23)cc(O)c1O ZINC001193097908 1004372260 /nfs/dbraw/zinc/37/22/60/1004372260.db2.gz OFVSHNPCAAHYOK-UHFFFAOYSA-N 0 0 369.417 2.811 20 10 FFCDRN C[C@H](NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O)C1CCC1 ZINC000806643277 1004382566 /nfs/dbraw/zinc/38/25/66/1004382566.db2.gz WMTFALWLECHIHU-AWEZNQCLSA-N 0 0 356.422 2.819 20 10 FFCDRN CN(C)c1ccc(-c2nc(C(=O)NCc3cc[nH]c(=O)c3)cs2)cc1 ZINC001193176131 1004385796 /nfs/dbraw/zinc/38/57/96/1004385796.db2.gz OKZIUEPVXVHQRO-UHFFFAOYSA-N 0 0 354.435 2.907 20 10 FFCDRN CCN=c1ccc(N)cn1C(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193164167 1004395422 /nfs/dbraw/zinc/39/54/22/1004395422.db2.gz UAIRKVNNTFJXLH-UHFFFAOYSA-N 0 0 367.478 2.869 20 10 FFCDRN CCOC(=O)C1(CC)CCN(C(=O)c2ccc(O)c(O)c2Cl)CC1 ZINC001193232496 1004411971 /nfs/dbraw/zinc/41/19/71/1004411971.db2.gz LNLYKDGFXFARTP-UHFFFAOYSA-N 0 0 355.818 2.947 20 10 FFCDRN O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(O)c(O)c1Cl ZINC001193236862 1004412995 /nfs/dbraw/zinc/41/29/95/1004412995.db2.gz RZMYBDPEZPDERX-UHFFFAOYSA-N 0 0 368.861 2.516 20 10 FFCDRN COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)c1ccc(O)c(O)c1Cl ZINC001193247546 1004418126 /nfs/dbraw/zinc/41/81/26/1004418126.db2.gz ZIPJVXSEPLGWKU-GOSISDBHSA-N 0 0 363.797 2.655 20 10 FFCDRN CC1(C)C(=O)NCc2cc(NC(=O)c3ccc(O)c(O)c3Cl)ccc21 ZINC001193230647 1004429478 /nfs/dbraw/zinc/42/94/78/1004429478.db2.gz ZGVPKRLGAKIILA-UHFFFAOYSA-N 0 0 360.797 2.911 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000806870821 1004444717 /nfs/dbraw/zinc/44/47/17/1004444717.db2.gz URQXVRPRCOFTGV-IAGOWNOFSA-N 0 0 367.493 2.986 20 10 FFCDRN COc1ccc2cc(NC(=O)C(=O)NCc3ccccc3O)ccc2c1 ZINC000806879623 1004448069 /nfs/dbraw/zinc/44/80/69/1004448069.db2.gz HDYVUTNNWKRLFC-UHFFFAOYSA-N 0 0 350.374 2.809 20 10 FFCDRN CC1(C)CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000806876747 1004448143 /nfs/dbraw/zinc/44/81/43/1004448143.db2.gz BHOKMFVNKNNEIJ-SFHVURJKSA-N 0 0 355.482 2.764 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC(C)(C)OC1(C)C ZINC000806953768 1004473575 /nfs/dbraw/zinc/47/35/75/1004473575.db2.gz JJDKYTGVIDTMKE-MRXNPFEDSA-N 0 0 362.470 2.593 20 10 FFCDRN Cc1ccc(CN(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000807099189 1004508194 /nfs/dbraw/zinc/50/81/94/1004508194.db2.gz NHZHQLAWQAAJSS-UHFFFAOYSA-N 0 0 353.466 2.644 20 10 FFCDRN Cc1cc(CNC(=O)N(Cc2ccco2)Cc2ccccc2O)n(C)n1 ZINC000807224056 1004532796 /nfs/dbraw/zinc/53/27/96/1004532796.db2.gz JBXHRUODUAEYCY-UHFFFAOYSA-N 0 0 354.410 2.939 20 10 FFCDRN O=C(NCCCC1CC1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000807274631 1004544074 /nfs/dbraw/zinc/54/40/74/1004544074.db2.gz XLQASGKWDBPTIK-UHFFFAOYSA-N 0 0 356.422 2.820 20 10 FFCDRN CCC(CC)CN(CC)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807288975 1004548853 /nfs/dbraw/zinc/54/88/53/1004548853.db2.gz FPRSYISELCWEHI-UHFFFAOYSA-N 0 0 357.498 2.964 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C2CCOCC2)cn1 ZINC001198401807 1004605777 /nfs/dbraw/zinc/60/57/77/1004605777.db2.gz SFXKGOPAXABMGR-UHFFFAOYSA-N 0 0 356.470 2.963 20 10 FFCDRN C[C@@H](NCC(=O)Nc1ccc(N=Nc2ccccc2)cc1)c1nnnn1C ZINC001198451771 1004621933 /nfs/dbraw/zinc/62/19/33/1004621933.db2.gz UQSWRMAMQHQWLR-CYBMUJFWSA-N 0 0 364.413 2.915 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(F)c(F)c2)cc1F ZINC000121516049 1004624899 /nfs/dbraw/zinc/62/48/99/1004624899.db2.gz AHESXDXORPVUDJ-UHFFFAOYSA-N 0 0 369.318 2.564 20 10 FFCDRN CCC(CC)N(CCOC)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807676966 1004659722 /nfs/dbraw/zinc/65/97/22/1004659722.db2.gz KEILXMSQULEQKU-OAHLLOKOSA-N 0 0 363.502 2.593 20 10 FFCDRN CC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000807848489 1004699854 /nfs/dbraw/zinc/69/98/54/1004699854.db2.gz XDMFPNYMDORSGV-SFHVURJKSA-N 0 0 368.481 2.868 20 10 FFCDRN COc1ncc(/C=C/C(=O)N2CCN(C3CC3)c3ccc(F)cc32)cn1 ZINC000775902612 1004756238 /nfs/dbraw/zinc/75/62/38/1004756238.db2.gz GVNWEZLPOOQCDA-FARCUNLSSA-N 0 0 354.385 2.653 20 10 FFCDRN O=S(=O)(c1ncccc1C(F)(F)F)N1CCc2cccc(O)c2C1 ZINC001194559863 1004760396 /nfs/dbraw/zinc/76/03/96/1004760396.db2.gz VSBWZNONXWAHML-UHFFFAOYSA-N 0 0 358.341 2.553 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1c2ccccc2C(=O)OC1(C)C ZINC000867301927 1004828512 /nfs/dbraw/zinc/82/85/12/1004828512.db2.gz HVACWJZGBGRNRX-KPZWWZAWSA-N 0 0 369.417 2.878 20 10 FFCDRN O=C(c1ccncc1OCC(F)(F)F)N1CCc2cccc(O)c2C1 ZINC001199134068 1004838857 /nfs/dbraw/zinc/83/88/57/1004838857.db2.gz KFOFEYRXOOQITJ-UHFFFAOYSA-N 0 0 352.312 2.927 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)CC[Si](C)(C)C)CC2)c(C)c1 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COc1cc(O[C@@H]2CC[C@H](C)[NH2+]C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001218397753 1033138092 /nfs/dbraw/zinc/13/80/92/1033138092.db2.gz IQHYWLKSXPCOTI-WDEREUQCSA-N 0 0 371.389 2.885 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](OC)[C@@H](OC)C3)c2C)cc1 ZINC000754717467 1023506705 /nfs/dbraw/zinc/50/67/05/1023506705.db2.gz RTPVGLFFRFAUJJ-KDURUIRLSA-N 0 0 358.438 2.589 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cnc2cc[nH]c2c1 ZINC001137817765 1033142841 /nfs/dbraw/zinc/14/28/41/1033142841.db2.gz IEFBEFHXVJBMCC-UHFFFAOYSA-N 0 0 373.796 2.737 20 10 FFCDRN C[C@H]1CSCCN1c1nnc(C2SC=CC2=O)n1C[C@H]1CCOC1 ZINC001123126344 1023645598 /nfs/dbraw/zinc/64/55/98/1023645598.db2.gz LZCLFLIDFIUOOB-NWDGAFQWSA-N 0 0 366.512 2.690 20 10 FFCDRN CC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000756055646 1023664139 /nfs/dbraw/zinc/66/41/39/1023664139.db2.gz WZYSCICIUAQSCU-MNEFBYGVSA-N 0 0 361.486 2.841 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000756402936 1023704620 /nfs/dbraw/zinc/70/46/20/1023704620.db2.gz ZUQKJDXLFGTILL-ZDUSSCGKSA-N 0 0 372.421 2.727 20 10 FFCDRN COC(=O)[C@](C)(CNC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000190880061 1023711782 /nfs/dbraw/zinc/71/17/82/1023711782.db2.gz WGSPFBQYBPGTFH-OAQYLSRUSA-N 0 0 369.465 2.683 20 10 FFCDRN Cc1ccc(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C)c(O)c1O ZINC000779362198 1023717053 /nfs/dbraw/zinc/71/70/53/1023717053.db2.gz SYALDKMRYDDIAA-FZMZJTMJSA-N 0 0 364.442 2.782 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3ncccc3F)C2)c1 ZINC000756646609 1023739831 /nfs/dbraw/zinc/73/98/31/1023739831.db2.gz OOPWBSBSLRSTOD-JSGCOSHPSA-N 0 0 359.401 2.642 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2C[C@@H]3C[C@H](O)[C@@H]3C2)n1CC1CC1 ZINC001123422801 1023793053 /nfs/dbraw/zinc/79/30/53/1023793053.db2.gz DDQITESKROUBPO-MTNOOBJLSA-N 0 0 368.481 2.905 20 10 FFCDRN CC(=O)N1CCC(C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000078362295 1023807270 /nfs/dbraw/zinc/80/72/70/1023807270.db2.gz LVLWBVPAOZLKDU-UHFFFAOYSA-N 0 0 356.422 2.773 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnn(C(C)C)c2)cc1 ZINC000757256333 1023813722 /nfs/dbraw/zinc/81/37/22/1023813722.db2.gz NSWKWCNBIPTGGN-UHFFFAOYSA-N 0 0 357.458 2.565 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ncc(C(F)(F)F)s1 ZINC001123509174 1023840240 /nfs/dbraw/zinc/84/02/40/1023840240.db2.gz DMZXITRWMFQJIO-UHFFFAOYSA-N 0 0 371.384 2.929 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)n1nnnc1C(C)(C)C ZINC000757913308 1023882829 /nfs/dbraw/zinc/88/28/29/1023882829.db2.gz VGUWAUIJFHLETG-HNNXBMFYSA-N 0 0 370.501 2.838 20 10 FFCDRN C[C@@H](NC(=O)NC1([C@@H]2CCCO2)CCC1)c1ccc(N2CCOCC2)cc1 ZINC001123590578 1023886958 /nfs/dbraw/zinc/88/69/58/1023886958.db2.gz VREYUVLJWNHROF-APWZRJJASA-N 0 0 373.497 2.985 20 10 FFCDRN COC(=O)[C@@H](C)CN(Cc1ccccc1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779480097 1023934412 /nfs/dbraw/zinc/93/44/12/1023934412.db2.gz BTTFUKDXNSWYSH-GDXASINISA-N 0 0 369.417 2.949 20 10 FFCDRN O=C(NC1CCC1)[C@@H]1COC2(C1)CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137835390 1033173050 /nfs/dbraw/zinc/17/30/50/1033173050.db2.gz GLWYWQSIIYSNJS-AWEZNQCLSA-N 0 0 362.445 2.571 20 10 FFCDRN Cc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(OCC(=O)N(C)C)c1 ZINC000779498578 1023939130 /nfs/dbraw/zinc/93/91/30/1023939130.db2.gz IRLOAGYRGCHGJQ-TWGQIWQCSA-N 0 0 370.405 2.525 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779514081 1023947787 /nfs/dbraw/zinc/94/77/87/1023947787.db2.gz JQLXELUXFAUHAR-LUJNMSEFSA-N 0 0 369.417 2.744 20 10 FFCDRN CCN(C[C@H]1COc2ccccc2O1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779514143 1023947895 /nfs/dbraw/zinc/94/78/95/1023947895.db2.gz KOMQEZMFTWWGAZ-HQPKTYMTSA-N 0 0 355.390 2.800 20 10 FFCDRN O=C(C=Cc1ccc(O)c(O)c1)N1CCOC[C@H]1CC(=O)c1ccccc1 ZINC000779526936 1023956835 /nfs/dbraw/zinc/95/68/35/1023956835.db2.gz GIQHXYABWSHOPD-NBEHIINDSA-N 0 0 367.401 2.611 20 10 FFCDRN COc1ccc(N2CCN(C[C@@H](O)COc3cc(C)ccc3F)CC2)cc1 ZINC000758222907 1023975684 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CCOC(=O)c1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cn1C ZINC000759504117 1024639427 /nfs/dbraw/zinc/63/94/27/1024639427.db2.gz OASTVMXAYDXDQA-UHFFFAOYSA-N 0 0 368.437 2.900 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000759588159 1024675603 /nfs/dbraw/zinc/67/56/03/1024675603.db2.gz JHDYDSVNIKFGBE-XSFOEPMVSA-N 0 0 371.364 2.989 20 10 FFCDRN CCc1ccc(CN(C)C(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000759589825 1024676732 /nfs/dbraw/zinc/67/67/32/1024676732.db2.gz ULTXPQCIZDLJTG-PKNBQFBNSA-N 0 0 369.417 2.875 20 10 FFCDRN C[C@H](CNC(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000759594313 1024677568 /nfs/dbraw/zinc/67/75/68/1024677568.db2.gz QHWOFIGTHAQWOB-IFCOSYQSSA-N 0 0 369.417 2.963 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H](COC(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000759597847 1024680841 /nfs/dbraw/zinc/68/08/41/1024680841.db2.gz SWEXHCYAOJQYIN-VSKVDJIOSA-N 0 0 363.410 2.911 20 10 FFCDRN CCS(=O)(=O)N1CCN(Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001137859087 1033229477 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COc1ccc(N2CCN(Cc3cc(O)c(OC)c(OC)c3)CC2)cc1 ZINC001141167828 1025555153 /nfs/dbraw/zinc/55/51/53/1025555153.db2.gz BMNUEWNCOUCTJD-UHFFFAOYSA-N 0 0 358.438 2.740 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCO[C@@H]2C)c(C)n1-c1ccc(F)cn1 ZINC000837613030 1025927395 /nfs/dbraw/zinc/92/73/95/1025927395.db2.gz POHJNKGDIQDUKJ-UKRRQHHQSA-N 0 0 360.385 2.779 20 10 FFCDRN CC(=O)c1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)cc1 ZINC000837704829 1025973981 /nfs/dbraw/zinc/97/39/81/1025973981.db2.gz NWECJYNWTYWTQE-UHFFFAOYSA-N 0 0 374.387 2.934 20 10 FFCDRN CO[C@H]1CCCC[C@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837715251 1025980604 /nfs/dbraw/zinc/98/06/04/1025980604.db2.gz SFUQVUCJYFLIEZ-PBHICJAKSA-N 0 0 368.424 2.623 20 10 FFCDRN O=C1NCC[C@@]12CCC[N@@H+](Cc1cc(Cl)cc(Br)c1[O-])C2 ZINC001141369368 1026050384 /nfs/dbraw/zinc/05/03/84/1026050384.db2.gz QLAHKHBKRBNBHU-OAHLLOKOSA-N 0 0 373.678 2.910 20 10 FFCDRN Cc1cc(C(=O)NCc2nnc(C(C)(C)C)[nH]2)c(C)n1-c1ccccn1 ZINC000837924937 1026117105 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FFCDRN COCCOCN1CCC12CN(Cc1ccc(N3CCCCC3)cc1)C2 ZINC001279534128 1043232647 /nfs/dbraw/zinc/23/26/47/1043232647.db2.gz PNIGRCSZWFYSOU-UHFFFAOYSA-N 0 0 359.514 2.558 20 10 FFCDRN COc1cc(O)c(CN2C[C@@H]3COC[C@H](C2)N3C2CCCC2)cc1Cl ZINC001279572230 1043277283 /nfs/dbraw/zinc/27/72/83/1043277283.db2.gz ZRMYFTJMDPROIR-IYBDPMFKSA-N 0 0 366.889 2.882 20 10 FFCDRN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1)N1CCCC1 ZINC001237623309 1043279782 /nfs/dbraw/zinc/27/97/82/1043279782.db2.gz LUQLHBQCCQLBFC-CQSZACIVSA-N 0 0 355.841 2.955 20 10 FFCDRN Cc1cc(O)c(CN2CCN3CC(F)(F)C[C@H]3C2)cc1Br ZINC001237682271 1043309647 /nfs/dbraw/zinc/30/96/47/1043309647.db2.gz PIBYPNDQFFUNSV-LBPRGKRZSA-N 0 0 361.230 2.988 20 10 FFCDRN CCOC[C@H]1CN(Cc2cc(Cl)cc(C)c2O)Cc2nnn(C)c21 ZINC001237683436 1043309694 /nfs/dbraw/zinc/30/96/94/1043309694.db2.gz HGTYNCDLCNBIGN-CYBMUJFWSA-N 0 0 350.850 2.618 20 10 FFCDRN Nc1ccc(Cl)c(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001237759632 1043345000 /nfs/dbraw/zinc/34/50/00/1043345000.db2.gz FCIWLWQBBXUGPP-UHFFFAOYSA-N 0 0 359.194 2.913 20 10 FFCDRN [O-]c1c(I)cccc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001237777957 1043350293 /nfs/dbraw/zinc/35/02/93/1043350293.db2.gz QPUMDJPDHIEQJT-RISCZKNCSA-N 0 0 373.234 2.998 20 10 FFCDRN CC(=O)C1CCN(Cc2cccc(I)c2O)CC1 ZINC001237781186 1043354102 /nfs/dbraw/zinc/35/41/02/1043354102.db2.gz TVIQYFFEKWRCMV-UHFFFAOYSA-N 0 0 359.207 2.798 20 10 FFCDRN CCOC(=O)CCN(CC(=O)OCC)Cc1cc(F)cc(Cl)c1[O-] ZINC001237800079 1043366293 /nfs/dbraw/zinc/36/62/93/1043366293.db2.gz WRQIXGNHKIWJRA-UHFFFAOYSA-N 0 0 361.797 2.503 20 10 FFCDRN COc1cc(C)nc(O[C@@H]2CC[N@H+](Cc3cc(F)cc(Cl)c3[O-])C2)n1 ZINC001237803859 1043367573 /nfs/dbraw/zinc/36/75/73/1043367573.db2.gz VHMFLAMHUJOURF-CYBMUJFWSA-N 0 0 367.808 2.945 20 10 FFCDRN Oc1cc(Cl)c(F)cc1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001237948321 1043451026 /nfs/dbraw/zinc/45/10/26/1043451026.db2.gz CMSSALJUKDBOOJ-UHFFFAOYSA-N 0 0 357.216 2.950 20 10 FFCDRN Cc1noc(NC(=O)[C@@H]2CC23C[NH+](Cc2c(F)ccc(F)c2[O-])C3)c1C ZINC001279731993 1043547143 /nfs/dbraw/zinc/54/71/43/1043547143.db2.gz BHLGPRDLBRXXDI-LBPRGKRZSA-N 0 0 363.364 2.736 20 10 FFCDRN CCOc1ccc(N2C[C@H]3CN(Cc4scnc4C)C[C@@H](C2)O3)cc1 ZINC001279733095 1043550019 /nfs/dbraw/zinc/55/00/19/1043550019.db2.gz NAUYSRGWCNOBHG-HDICACEKSA-N 0 0 359.495 2.940 20 10 FFCDRN FC(F)(F)CCCN1CCO[C@H]2CN(c3ccc4c(c3)OCCO4)C[C@@H]21 ZINC001279765287 1043608366 /nfs/dbraw/zinc/60/83/66/1043608366.db2.gz VIOUBZLBLLLJIV-YOEHRIQHSA-N 0 0 372.387 2.690 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(-c2nncs2)cc1 ZINC001310658200 1043719510 /nfs/dbraw/zinc/71/95/10/1043719510.db2.gz LVDVVXFSXXNBDQ-UHFFFAOYSA-N 0 0 356.407 2.981 20 10 FFCDRN Cc1cc(NC(=O)NCc2c(O)cccc2F)cc(S(C)(=O)=O)c1 ZINC001311146025 1043819119 /nfs/dbraw/zinc/81/91/19/1043819119.db2.gz IOTRBCRMUAWRKT-UHFFFAOYSA-N 0 0 352.387 2.565 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Nc3ccccc3-n3nccn3)ccc21 ZINC001311193841 1043839041 /nfs/dbraw/zinc/83/90/41/1043839041.db2.gz DVEROSWUNVCIHC-UHFFFAOYSA-N 0 0 362.437 2.971 20 10 FFCDRN C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CCC[C@H]1C[NH3+] ZINC001238949716 1043961797 /nfs/dbraw/zinc/96/17/97/1043961797.db2.gz QBRUSNBIPVWDSO-UWVGGRQHSA-N 0 0 367.298 2.695 20 10 FFCDRN [NH3+]C[C@@]1(F)CCCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001238965111 1043966427 /nfs/dbraw/zinc/96/64/27/1043966427.db2.gz AQIJVLPADYTKMA-ZDUSSCGKSA-N 0 0 371.261 2.541 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCC2)cc1)c1nnc2n1CCC2 ZINC001311753565 1043972271 /nfs/dbraw/zinc/97/22/71/1043972271.db2.gz YNMFGKXBCFRLPQ-HNNXBMFYSA-N 0 0 368.485 2.727 20 10 FFCDRN C[NH2+]C1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001239122364 1044039602 /nfs/dbraw/zinc/03/96/02/1044039602.db2.gz AVSWPPZGMVWFHM-UHFFFAOYSA-N 0 0 367.298 2.850 20 10 FFCDRN CC(C)(C)NC(=O)[C@@H]1CCN(Cc2c(O)cccc2F)Cc2ccnn21 ZINC001280007145 1044078928 /nfs/dbraw/zinc/07/89/28/1044078928.db2.gz ZZKZFSDFKATUPU-INIZCTEOSA-N 0 0 360.433 2.590 20 10 FFCDRN Cc1cc(F)cc(CN2CC3(C2)CN(C(=O)Nc2cccnc2)C3)c1O ZINC001280028314 1044104262 /nfs/dbraw/zinc/10/42/62/1044104262.db2.gz RZQLQALAZOXXNO-UHFFFAOYSA-N 0 0 356.401 2.584 20 10 FFCDRN Cc1cc(F)cc(CN2CC3(C2)CN(C(=O)Cc2ccsc2)C3)c1O ZINC001280033915 1044111763 /nfs/dbraw/zinc/11/17/63/1044111763.db2.gz SASNHHJYEQLRCQ-UHFFFAOYSA-N 0 0 360.454 2.788 20 10 FFCDRN Cc1ccc(C[NH+]2CCC3(C[C@@H]3C(=O)Nc3nccn3C)CC2)c(O)c1 ZINC001280047399 1044135857 /nfs/dbraw/zinc/13/58/57/1044135857.db2.gz IKYTXHWUAOXWLO-MRXNPFEDSA-N 0 0 354.454 2.675 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ncc(C(F)(F)F)cn2)c1 ZINC001312731177 1044162566 /nfs/dbraw/zinc/16/25/66/1044162566.db2.gz QCARMACPGCGSFC-SECBINFHSA-N 0 0 370.331 2.770 20 10 FFCDRN Cc1cc(CNC(=O)N(C)CCOCCO)c(C)n1-c1cccc(C)c1 ZINC001313133725 1044245625 /nfs/dbraw/zinc/24/56/25/1044245625.db2.gz VRWFDOKNSWPOQY-UHFFFAOYSA-N 0 0 359.470 2.553 20 10 FFCDRN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(-c2ccn(C)c(=O)c2)n1 ZINC001240977756 1044470000 /nfs/dbraw/zinc/47/00/00/1044470000.db2.gz MOWCSSGRPDIQRR-VQHVLOKHSA-N 0 0 369.421 2.618 20 10 FFCDRN CN1C(=O)C[C@@H](C(=O)NCCCSc2nccs2)c2ccccc21 ZINC001318607970 1044769008 /nfs/dbraw/zinc/76/90/08/1044769008.db2.gz RRNXCSRYGQCWAR-CYBMUJFWSA-N 0 0 361.492 2.892 20 10 FFCDRN Cc1c(C)n(Cc2ccccc2)c2ncnc(-c3cnc(NCCO)nc3)c12 ZINC001242833546 1044806966 /nfs/dbraw/zinc/80/69/66/1044806966.db2.gz GNNDPFIPPHPLBD-UHFFFAOYSA-N 0 0 374.448 2.958 20 10 FFCDRN CCOc1ccc(N2CCN(Cc3ccc(-n4ccnc4)nc3)CC2)cc1 ZINC001319515406 1045179545 /nfs/dbraw/zinc/17/95/45/1045179545.db2.gz KGZAASBBFKOHOY-UHFFFAOYSA-N 0 0 363.465 2.988 20 10 FFCDRN C[C@H](NC(=O)CN(C)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC001318067158 1045204912 /nfs/dbraw/zinc/20/49/12/1045204912.db2.gz OKDLQHWCIXLBIM-SFHVURJKSA-N 0 0 367.493 2.832 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cncnc3C(C)C)CC2)cc1 ZINC001319734380 1045256712 /nfs/dbraw/zinc/25/67/12/1045256712.db2.gz ZFMBQRILECWYAO-UHFFFAOYSA-N 0 0 354.454 2.961 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)Cn3ncc4ccccc43)CC2)cc1 ZINC001320023125 1045330944 /nfs/dbraw/zinc/33/09/44/1045330944.db2.gz ASQUKYHEELLPQP-UHFFFAOYSA-N 0 0 364.449 2.784 20 10 FFCDRN Cc1cc[nH]c(=O)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001320174108 1045361216 /nfs/dbraw/zinc/36/12/16/1045361216.db2.gz JORJWBBQRNAQGK-OKILXGFUSA-N 0 0 373.428 2.778 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3c(C)cnn3CC3CC3)CC2)cc1 ZINC001320214477 1045370407 /nfs/dbraw/zinc/37/04/07/1045370407.db2.gz GPLMEROWPPGYAO-UHFFFAOYSA-N 0 0 369.469 2.964 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1cccs1 ZINC001320436344 1045407804 /nfs/dbraw/zinc/40/78/04/1045407804.db2.gz IMABKTJJQAAYGK-AAEUAGOBSA-N 0 0 363.435 2.553 20 10 FFCDRN COc1ccc(CNC(=O)NCCOc2ccc3c(c2)CCC3)c(O)c1 ZINC001321193263 1045581929 /nfs/dbraw/zinc/58/19/29/1045581929.db2.gz JZWRIZZJTPDJLW-UHFFFAOYSA-N 0 0 356.422 2.768 20 10 FFCDRN CCOc1ccc(C[N@@H+]2CCC[C@@H](c3n[nH]cc3NC(C)=O)C2)c(O)c1 ZINC001323578398 1045647385 /nfs/dbraw/zinc/64/73/85/1045647385.db2.gz UGMMWEWNURZNTC-OAHLLOKOSA-N 0 0 358.442 2.852 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC001323854921 1045751906 /nfs/dbraw/zinc/75/19/06/1045751906.db2.gz TUOBLVWESPVXKK-CQSZACIVSA-N 0 0 354.397 2.825 20 10 FFCDRN COc1cccc(CNC(=O)C2=NN(c3cccc(C)c3)C(=O)CC2)c1O ZINC001324089836 1045859066 /nfs/dbraw/zinc/85/90/66/1045859066.db2.gz ZXTUYBGHDOLZRR-UHFFFAOYSA-N 0 0 367.405 2.508 20 10 FFCDRN CSc1ccccc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001324148270 1045889555 /nfs/dbraw/zinc/88/95/55/1045889555.db2.gz KKWLHTVVEAJRQE-CQSZACIVSA-N 0 0 371.506 2.968 20 10 FFCDRN CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC ZINC001324497498 1046063853 /nfs/dbraw/zinc/06/38/53/1046063853.db2.gz HQYXDYIOVLLXSQ-PMPSAXMXSA-N 0 0 363.454 2.905 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2cnc(Cl)cc2Cl)c(O)c1 ZINC001322469938 1046097295 /nfs/dbraw/zinc/09/72/95/1046097295.db2.gz AAJNXGVACYPEAW-UHFFFAOYSA-N 0 0 363.222 2.581 20 10 FFCDRN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2ccc(N3CCCC3)cc2)cn1 ZINC001324551770 1046098059 /nfs/dbraw/zinc/09/80/59/1046098059.db2.gz KBTHSANUOROASH-FNZWTVRRSA-N 0 0 372.538 2.809 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)NCc1cccc2cc[nH]c21 ZINC001324635777 1046138671 /nfs/dbraw/zinc/13/86/71/1046138671.db2.gz DSLUNIMHIFUQPM-UHFFFAOYSA-N 0 0 374.491 2.539 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCC(F)(F)C1 ZINC001322653570 1046167212 /nfs/dbraw/zinc/16/72/12/1046167212.db2.gz XBSSIBJFBLFIFK-STQMWFEESA-N 0 0 371.380 2.514 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@H]3CC(=O)N(C)c4ccccc43)ccc21 ZINC001324762615 1046212013 /nfs/dbraw/zinc/21/20/13/1046212013.db2.gz DQULOHFHFDLQGD-SFHVURJKSA-N 0 0 363.461 2.836 20 10 FFCDRN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)c1ccccc1 ZINC001323060119 1046327340 /nfs/dbraw/zinc/32/73/40/1046327340.db2.gz YYQIGTBQEXGPTR-KRWDZBQOSA-N 0 0 363.461 2.599 20 10 FFCDRN CCc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)nn1C ZINC001325132823 1046387090 /nfs/dbraw/zinc/38/70/90/1046387090.db2.gz HVBPYQDLTSRPES-OKILXGFUSA-N 0 0 374.460 2.665 20 10 FFCDRN C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001325155527 1046397363 /nfs/dbraw/zinc/39/73/63/1046397363.db2.gz UGFRHAOXZRYQIF-AUUYWEPGSA-N 0 0 352.434 2.790 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NC[C@@H](C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC001325537135 1046541931 /nfs/dbraw/zinc/54/19/31/1046541931.db2.gz YPRPLXQYFDEBNF-NWDGAFQWSA-N 0 0 359.392 2.635 20 10 FFCDRN CCCc1n[nH]cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001325742968 1046628101 /nfs/dbraw/zinc/62/81/01/1046628101.db2.gz BKXSYNOGIFSVHZ-UHFFFAOYSA-N 0 0 356.470 2.501 20 10 FFCDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)C(=O)N(C)Cc2ccccc2O)C1 ZINC001326159913 1046789801 /nfs/dbraw/zinc/78/98/01/1046789801.db2.gz XTSWQEKKVHQZNA-QAQDUYKDSA-N 0 0 352.434 2.721 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@]23CCOC3)CCCC1 ZINC001326625746 1047006460 /nfs/dbraw/zinc/00/64/60/1047006460.db2.gz DVZOCFUIHAZGFH-NRFANRHFSA-N 0 0 354.450 2.920 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)CC(F)F)cc1 ZINC001326862349 1047117027 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O=C(NCCNC(=O)c1ccc(F)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001464882736 1062895309 /nfs/dbraw/zinc/89/53/09/1062895309.db2.gz WPILBZQGEBOHJR-UHFFFAOYSA-N 0 0 374.393 2.611 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@@]3(C)OCCc4ccccc43)C2)cc1 ZINC001532105274 1062977335 /nfs/dbraw/zinc/97/73/35/1062977335.db2.gz JVGDMYAMRIBFCG-VGSWGCGISA-N 0 0 366.461 2.878 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cnc(F)c(Br)c2)cc1 ZINC001524854603 1063023132 /nfs/dbraw/zinc/02/31/32/1063023132.db2.gz SIVYGUMVASFDEM-UHFFFAOYSA-N 0 0 352.207 2.979 20 10 FFCDRN Cc1cc(CC(=O)N[C@H]2CC(=O)N(CC3CC3)C2)c(C)n1-c1ccccc1 ZINC001438856055 1063058383 /nfs/dbraw/zinc/05/83/83/1063058383.db2.gz TUNACWPYGLIKFE-IBGZPJMESA-N 0 0 365.477 2.764 20 10 FFCDRN COC(=O)[C@@H]1CSCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001439286994 1063130972 /nfs/dbraw/zinc/13/09/72/1063130972.db2.gz GTAPTYXBCJLCOP-SFHVURJKSA-N 0 0 372.490 2.754 20 10 FFCDRN Nc1cc(I)ccc1C(=O)NCc1ccccc1O ZINC001465990878 1063291529 /nfs/dbraw/zinc/29/15/29/1063291529.db2.gz 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FFCDRN CCOc1ccc(N(CC)[C@@H]2CCN(CC(=O)OC(C)(C)C)C2=O)cc1 ZINC001473261306 1065230804 /nfs/dbraw/zinc/23/08/04/1065230804.db2.gz IAFFZBQMLQIINR-QGZVFWFLSA-N 0 0 362.470 2.854 20 10 FFCDRN Fc1cc(CNc2cnn(Cc3ccncc3)c2)ccc1N1CCOCC1 ZINC001473976721 1065431527 /nfs/dbraw/zinc/43/15/27/1065431527.db2.gz AWKQMCAVEZAQFT-UHFFFAOYSA-N 0 0 367.428 2.914 20 10 FFCDRN COC(=O)c1cnc(SCc2ccc(-c3nn[nH]n3)c(F)c2)s1 ZINC001579492217 1078636340 /nfs/dbraw/zinc/63/63/40/1078636340.db2.gz YQJRBPVOBXLYFI-UHFFFAOYSA-N 0 0 351.388 2.541 20 10 FFCDRN Nc1ccc(CNC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)cc1 ZINC001580445802 1078806605 /nfs/dbraw/zinc/80/66/05/1078806605.db2.gz WNXQCZBPQWHRRS-UHFFFAOYSA-N 0 0 355.366 2.587 20 10 FFCDRN Nc1ccc(CNC(=O)c2nc(NCc3ccco3)ncc2Cl)cc1 ZINC001580445443 1078806963 /nfs/dbraw/zinc/80/69/63/1078806963.db2.gz DEVARCZEPKKAPR-UHFFFAOYSA-N 0 0 357.801 2.847 20 10 FFCDRN CN1CC[C@](Cc2ccccc2)(C(=O)NCc2cc(Cl)ccc2O)C1=O ZINC001583821067 1079270297 /nfs/dbraw/zinc/27/02/97/1079270297.db2.gz 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ZINC001557286225 1075834300 /nfs/dbraw/zinc/83/43/00/1075834300.db2.gz HBYOIXGPILMBNV-UHFFFAOYSA-N 0 0 365.437 2.809 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)Cc1ccc(O)c(O)c1 ZINC001558068853 1075936957 /nfs/dbraw/zinc/93/69/57/1075936957.db2.gz ABBAKIRVOSRORE-CQSZACIVSA-N 0 0 364.442 2.546 20 10 FFCDRN Oc1c(F)cc(Br)cc1CNc1ccc(-n2cnnn2)cc1 ZINC001560376497 1076268705 /nfs/dbraw/zinc/26/87/05/1076268705.db2.gz OUEGSJVVABKYFR-UHFFFAOYSA-N 0 0 364.178 2.882 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H](CO)c2cccc(Br)c2)c1 ZINC001560395860 1076270614 /nfs/dbraw/zinc/27/06/14/1076270614.db2.gz CUPVEABJRRSTEJ-AWEZNQCLSA-N 0 0 367.199 2.886 20 10 FFCDRN Cn1cnnc1NCc1cc(Br)cc(Br)c1O ZINC001560499222 1076276406 /nfs/dbraw/zinc/27/64/06/1076276406.db2.gz SEHTWDFRZHBISI-UHFFFAOYSA-N 0 0 362.025 2.658 20 10 FFCDRN O=C1CS(=O)(=O)c2cc(NCc3cc(Cl)cc(F)c3O)ccc2N1 ZINC001560578593 1076281176 /nfs/dbraw/zinc/28/11/76/1076281176.db2.gz ZFXUYXJAYAOBJV-UHFFFAOYSA-N 0 0 370.789 2.523 20 10 FFCDRN COC(=O)[C@@H](NCc1ccc2c(c1)CCCO2)c1ccc2c(c1)CCO2 ZINC001560771093 1076298290 /nfs/dbraw/zinc/29/82/90/1076298290.db2.gz PMABOCSGUGCYAJ-FQEVSTJZSA-N 0 0 353.418 2.950 20 10 FFCDRN Cc1cc(Br)cc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)c1O ZINC001561026193 1076321675 /nfs/dbraw/zinc/32/16/75/1076321675.db2.gz WINVNECVTVWTSL-LRDDRELGSA-N 0 0 353.260 2.551 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc3c2N(C)C(=O)CO3)c1 ZINC001563217685 1076529946 /nfs/dbraw/zinc/52/99/46/1076529946.db2.gz CPRJQUODVBVATA-NSHDSACASA-N 0 0 371.393 2.639 20 10 FFCDRN CC(=O)N(CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1 ZINC001566359450 1076950958 /nfs/dbraw/zinc/95/09/58/1076950958.db2.gz DGCVBMYQQNBNHC-UHFFFAOYSA-N 0 0 352.434 2.940 20 10 FFCDRN O=C(Cc1ccc(Br)cc1F)NCCc1ccc(O)c(O)c1 ZINC001566369691 1076952282 /nfs/dbraw/zinc/95/22/82/1076952282.db2.gz QPDPRUAFBVMVPN-UHFFFAOYSA-N 0 0 368.202 2.901 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC(OCc2ccccc2F)CC1 ZINC001566417227 1076958152 /nfs/dbraw/zinc/95/81/52/1076958152.db2.gz OKQPNPHVQDMRAG-UHFFFAOYSA-N 0 0 359.397 2.987 20 10 FFCDRN COc1ccc2c(c1)OCCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001568088660 1077070769 /nfs/dbraw/zinc/07/07/69/1077070769.db2.gz XHVIBCKNOGOHOS-UHFFFAOYSA-N 0 0 354.366 2.892 20 10 FFCDRN COC(=O)[C@H]1C[C@@H](NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001570375751 1077202285 /nfs/dbraw/zinc/20/22/85/1077202285.db2.gz LGZRFWQBTDCHRC-MAEOIBBWSA-N 0 0 368.433 2.896 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(O)cc1O)C(C)(C)C ZINC001570462079 1077207701 /nfs/dbraw/zinc/20/77/01/1077207701.db2.gz CRWAGLMDSGXOAD-CQSZACIVSA-N 0 0 352.431 2.653 20 10 FFCDRN C[S@@](=O)C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001586028823 1079530265 /nfs/dbraw/zinc/53/02/65/1079530265.db2.gz DAPWDJXRMOTFNJ-ODCWNRFASA-N 0 0 358.423 2.699 20 10 FFCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)CC(=O)[O-])C1 ZINC001588923114 1080268356 /nfs/dbraw/zinc/26/83/56/1080268356.db2.gz DHLGWKPTRTYTRY-UHFFFAOYSA-N 0 0 371.481 2.777 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589955869 1080902044 /nfs/dbraw/zinc/90/20/44/1080902044.db2.gz NDYKXJQSJJUGDK-MGPLVRAMSA-N 0 0 366.381 2.819 20 10 FFCDRN C[C@H]([NH2+]CCCn1cnc2ccccc21)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589960891 1080904160 /nfs/dbraw/zinc/90/41/60/1080904160.db2.gz JWODTMGMGHQJKQ-ZDUSSCGKSA-N 0 0 363.425 2.663 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589970447 1080911859 /nfs/dbraw/zinc/91/18/59/1080911859.db2.gz RSHSCYSKABLBTI-LBPRGKRZSA-N 0 0 368.441 2.995 20 10 FFCDRN CCC[C@H](C)C(=O)NCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000897840021 735282597 /nfs/dbraw/zinc/28/25/97/735282597.db2.gz WVSZWDBMZZCBSW-JTQLQIEISA-N 0 0 350.440 2.595 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCCOC1 ZINC000368933414 512143152 /nfs/dbraw/zinc/14/31/52/512143152.db2.gz ZTFXRWQDIIHQHI-CYBMUJFWSA-N 0 0 354.397 2.800 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)C2CC2)cc1 ZINC000377415612 512258709 /nfs/dbraw/zinc/25/87/09/512258709.db2.gz FNIHKKOTVOIESU-PXNSSMCTSA-N 0 0 373.522 2.698 20 10 FFCDRN COc1cc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1C ZINC000066384872 506502092 /nfs/dbraw/zinc/50/20/92/506502092.db2.gz VTFNZWAESBZOQJ-UHFFFAOYSA-N 0 0 369.465 2.840 20 10 FFCDRN O=C(CCOc1ccccc1F)NCc1ccc(N2CCOCC2)cc1 ZINC000054285075 506531985 /nfs/dbraw/zinc/53/19/85/506531985.db2.gz TVFJTVGFZLQXBW-UHFFFAOYSA-N 0 0 358.413 2.748 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(N3CCNC3=O)cc2)cc1 ZINC000054319951 506536670 /nfs/dbraw/zinc/53/66/70/506536670.db2.gz JSBSNAGJNRWHHV-UHFFFAOYSA-N 0 0 352.438 2.554 20 10 FFCDRN COC(=O)c1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000041970794 506575568 /nfs/dbraw/zinc/57/55/68/506575568.db2.gz QQWFWMZLJWJALH-UHFFFAOYSA-N 0 0 360.435 2.506 20 10 FFCDRN O=C(NCCc1cccc(F)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000054786064 506622619 /nfs/dbraw/zinc/62/26/19/506622619.db2.gz ICQJVHWKUZUIKP-UHFFFAOYSA-N 0 0 357.429 2.704 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)c2nnc3n2CCC3)cc1F ZINC000066927011 506696837 /nfs/dbraw/zinc/69/68/37/506696837.db2.gz KMWNUYXVERYJGZ-ZDUSSCGKSA-N 0 0 374.464 2.770 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnccc2C)cc1F ZINC000067000829 506722578 /nfs/dbraw/zinc/72/25/78/506722578.db2.gz XPILWPUZSAFYRB-UHFFFAOYSA-N 0 0 358.417 2.630 20 10 FFCDRN COc1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000010261856 506734024 /nfs/dbraw/zinc/73/40/24/506734024.db2.gz RFGXLWIKKQJGHI-UHFFFAOYSA-N 0 0 356.426 2.591 20 10 FFCDRN CN(C)c1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000055522883 506769147 /nfs/dbraw/zinc/76/91/47/506769147.db2.gz VAYZVNUEXVOAOR-UHFFFAOYSA-N 0 0 357.429 2.658 20 10 FFCDRN CCN(C(=O)c1cc(C)n(-c2ccccc2)c1C)[C@H]1CCS(=O)(=O)C1 ZINC000067179865 506785160 /nfs/dbraw/zinc/78/51/60/506785160.db2.gz QWMRNUMEYVAEMK-KRWDZBQOSA-N 0 0 360.479 2.743 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)CSc3ccncc3)CC2)cc1 ZINC000055877700 506874049 /nfs/dbraw/zinc/87/40/49/506874049.db2.gz FDCLOFAKUYTODX-UHFFFAOYSA-N 0 0 357.479 2.921 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](c2ccccc2)[C@@H]2CCOC2)c(O)c1 ZINC000373387673 512305710 /nfs/dbraw/zinc/30/57/10/512305710.db2.gz WNDWTKHIIFRFFB-VQIMIIECSA-N 0 0 356.422 2.978 20 10 FFCDRN O=C(NCCCNc1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000067632841 506958231 /nfs/dbraw/zinc/95/82/31/506958231.db2.gz HNGWRTHQVWNGLE-UHFFFAOYSA-N 0 0 368.481 2.825 20 10 FFCDRN Cc1n[nH]cc1CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000045539733 506981455 /nfs/dbraw/zinc/98/14/55/506981455.db2.gz PZQFEHDPBQNCNP-SFHVURJKSA-N 0 0 372.469 2.747 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1nncn1C ZINC000046963656 507236174 /nfs/dbraw/zinc/23/61/74/507236174.db2.gz CPSQDJOMKDNIMZ-HNNXBMFYSA-N 0 0 356.474 2.708 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000047293790 507304089 /nfs/dbraw/zinc/30/40/89/507304089.db2.gz YNOKDBHEJPHZGQ-UHFFFAOYSA-N 0 0 373.384 2.625 20 10 FFCDRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000069966914 507594502 /nfs/dbraw/zinc/59/45/02/507594502.db2.gz BABPUCIHJDRPGT-SFHVURJKSA-N 0 0 354.450 2.878 20 10 FFCDRN CCOC[C@@H]1CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000070911672 507659379 /nfs/dbraw/zinc/65/93/79/507659379.db2.gz RWQONVNGRLLYHD-QPGLYAHGSA-N 0 0 358.482 2.812 20 10 FFCDRN COC(=O)CCOc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000050108998 507663325 /nfs/dbraw/zinc/66/33/25/507663325.db2.gz MYFRRRSQHFYNBG-UHFFFAOYSA-N 0 0 358.394 2.998 20 10 FFCDRN CNC(=O)c1ccc(/C=C/C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000028334597 507720384 /nfs/dbraw/zinc/72/03/84/507720384.db2.gz GPWDUGHHEPNXIV-MDWZMJQESA-N 0 0 363.461 2.976 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@H](c3nccn3C)C2)c([N+](=O)[O-])c1 ZINC000369339441 512358208 /nfs/dbraw/zinc/35/82/08/512358208.db2.gz NUECUFGASCTFHB-VFADXPBXSA-N 0 0 370.409 2.899 20 10 FFCDRN COc1ccc(N(C)S(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000063628516 507752047 /nfs/dbraw/zinc/75/20/47/507752047.db2.gz WSDHYVVWYUGFIQ-UHFFFAOYSA-N 0 0 365.436 2.534 20 10 FFCDRN CCS(=O)(=O)CCN(C)C(=O)c1sccc1-n1c(C)ccc1C ZINC000089376992 507834970 /nfs/dbraw/zinc/83/49/70/507834970.db2.gz NTGILUCRHFGFLI-UHFFFAOYSA-N 0 0 354.497 2.662 20 10 FFCDRN COc1ccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000108671705 507911407 /nfs/dbraw/zinc/91/14/07/507911407.db2.gz PDLSPACAIWGHFM-IZZDOVSWSA-N 0 0 352.434 2.861 20 10 FFCDRN CN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1ccccc1O ZINC000109769509 507986644 /nfs/dbraw/zinc/98/66/44/507986644.db2.gz TWVWJCODCWWMFZ-UHFFFAOYSA-N 0 0 373.478 2.502 20 10 FFCDRN C[C@H](O)CC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000074547896 508034286 /nfs/dbraw/zinc/03/42/86/508034286.db2.gz RUSZXSHGCHUWRJ-DOTOQJQBSA-N 0 0 364.486 2.880 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@H](C3OCCO3)C2)c(C)n1-c1ccccn1 ZINC000110847419 508051156 /nfs/dbraw/zinc/05/11/56/508051156.db2.gz GBGHJLPZHMLRGG-INIZCTEOSA-N 0 0 355.438 2.714 20 10 FFCDRN Cc1cc(C(=O)NCCc2nncn2C)c(C)n1-c1cccc(Cl)c1 ZINC000112291394 508170045 /nfs/dbraw/zinc/17/00/45/508170045.db2.gz 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C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000270745829 510971659 /nfs/dbraw/zinc/97/16/59/510971659.db2.gz STRGZWMYCARIKU-FOIQADDNSA-N 0 0 358.482 2.517 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3noc(CC(C)(C)C)n3)CC2)cc1 ZINC000277861224 510975005 /nfs/dbraw/zinc/97/50/05/510975005.db2.gz KDGSZVIUQDHDCM-UHFFFAOYSA-N 0 0 372.469 2.558 20 10 FFCDRN CCn1c2nnc(COc3ccc(N(C)C)cc3)n2c2ccccc2c1=O ZINC000277899055 510976318 /nfs/dbraw/zinc/97/63/18/510976318.db2.gz RAFZKLOWNCOHFI-UHFFFAOYSA-N 0 0 363.421 2.709 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000278128033 510982226 /nfs/dbraw/zinc/98/22/26/510982226.db2.gz NSOFYPRHYLUMMR-FMKPAKJESA-N 0 0 364.829 2.767 20 10 FFCDRN COC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000278308927 510987913 /nfs/dbraw/zinc/98/79/13/510987913.db2.gz TWZIXIBDDKXUQT-UHFFFAOYSA-N 0 0 374.403 2.973 20 10 FFCDRN O=C(c1cc(F)cc2n[nH]nc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000278368647 510990997 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O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1cc[nH]n1 ZINC000279238830 511021827 /nfs/dbraw/zinc/02/18/27/511021827.db2.gz RHMNGCKHMSLUQH-MTCRFPMVSA-N 0 0 352.438 2.623 20 10 FFCDRN CN(c1ccc(CNC(=O)NCc2cnnn2C)cc1)C1CCCCC1 ZINC000287213299 511043968 /nfs/dbraw/zinc/04/39/68/511043968.db2.gz MPJSDMDYAYDTFB-UHFFFAOYSA-N 0 0 356.474 2.583 20 10 FFCDRN COCCc1ccnc(NC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000287396082 511048659 /nfs/dbraw/zinc/04/86/59/511048659.db2.gz QPDUVDQZTNZYCL-UHFFFAOYSA-N 0 0 352.438 2.968 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2nc(C3CC3)cs2)cc1 ZINC000287459059 511051139 /nfs/dbraw/zinc/05/11/39/511051139.db2.gz NCMSDVYTJZDAGL-UHFFFAOYSA-N 0 0 358.467 2.684 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCOc2cc(O)ccc2C1 ZINC000287544958 511053450 /nfs/dbraw/zinc/05/34/50/511053450.db2.gz SRPIGCOMVOWIJS-UHFFFAOYSA-N 0 0 365.433 2.873 20 10 FFCDRN CC[C@@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287611817 511054021 /nfs/dbraw/zinc/05/40/21/511054021.db2.gz 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CC1(C)SC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000283697751 511466340 /nfs/dbraw/zinc/46/63/40/511466340.db2.gz WUEFQKBJESNZPZ-KRWDZBQOSA-N 0 0 363.527 2.589 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](OC)c1ccccc1 ZINC000283703399 511468544 /nfs/dbraw/zinc/46/85/44/511468544.db2.gz BRPAJLSHLAOAAW-IBGZPJMESA-N 0 0 370.449 2.635 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2scnc2C)cc1 ZINC000283718205 511473779 /nfs/dbraw/zinc/47/37/79/511473779.db2.gz AWAYKAPTLZXPQM-UHFFFAOYSA-N 0 0 374.510 2.573 20 10 FFCDRN Cc1ccc(O)c(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)nc2)c1 ZINC000272271454 511486808 /nfs/dbraw/zinc/48/68/08/511486808.db2.gz RTZYPNLFZBNJIH-UHFFFAOYSA-N 0 0 366.465 2.766 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](CO)c2cnn(C)c2)c(C)n1-c1ccccc1C ZINC000272371580 511491911 /nfs/dbraw/zinc/49/19/11/511491911.db2.gz RGTAXGKQBKBEIG-SFHVURJKSA-N 0 0 352.438 2.599 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000272493974 511496229 /nfs/dbraw/zinc/49/62/29/511496229.db2.gz SBXBLQPYDXXSRM-VZUFXWRPSA-N 0 0 362.426 2.531 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2cc(F)cc3c2OCOC3)cc1 ZINC000273045669 511516382 /nfs/dbraw/zinc/51/63/82/511516382.db2.gz FOZSNYFHJFXYLV-UHFFFAOYSA-N 0 0 361.369 2.880 20 10 FFCDRN CC(C)[C@H]1C[C@H](CC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000273254654 511520958 /nfs/dbraw/zinc/52/09/58/511520958.db2.gz VHLWGUVOOJJRBU-UYAOXDASSA-N 0 0 360.498 2.981 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(OCCC(N)=O)cc2)c1 ZINC000273354523 511522706 /nfs/dbraw/zinc/52/27/06/511522706.db2.gz CKJMQLUEZVMTKR-GFCCVEGCSA-N 0 0 358.394 2.606 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000273361766 511523282 /nfs/dbraw/zinc/52/32/82/511523282.db2.gz ANDQPQBFKKXTLU-XJKSGUPXSA-N 0 0 368.433 2.914 20 10 FFCDRN COc1ccc(OC)c([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273415771 511524877 /nfs/dbraw/zinc/52/48/77/511524877.db2.gz QVDFJDUISHPWDE-GTNSWQLSSA-N 0 0 362.382 2.702 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273424152 511525076 /nfs/dbraw/zinc/52/50/76/511525076.db2.gz SXZBKHWMBMWMGI-BXUZGUMPSA-N 0 0 350.346 2.530 20 10 FFCDRN FC(F)(F)c1cc(N2CCOCC2)ccc1CN[C@H]1CCn2ccnc21 ZINC000295824119 511526085 /nfs/dbraw/zinc/52/60/85/511526085.db2.gz DOAAWQBERHXDQQ-INIZCTEOSA-N 0 0 366.387 2.973 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2cccnc2)cc1 ZINC000283911783 511541942 /nfs/dbraw/zinc/54/19/42/511541942.db2.gz GRNYETHRLRZNDC-MRXNPFEDSA-N 0 0 368.481 2.764 20 10 FFCDRN C[C@H]([NH2+]Cc1ccccc1CS(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273608697 511550745 /nfs/dbraw/zinc/55/07/45/511550745.db2.gz VBUGLCMXRKSQFG-LBPRGKRZSA-N 0 0 364.423 2.696 20 10 FFCDRN CCO[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000299246817 511564739 /nfs/dbraw/zinc/56/47/39/511564739.db2.gz ZFWDJQGMYJOLGU-FQEVSTJZSA-N 0 0 354.450 2.917 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCCO2)n1C[C@@H]1CCOC1 ZINC000295974376 511573886 /nfs/dbraw/zinc/57/38/86/511573886.db2.gz LUWPIFJNNPBWQU-MAUKXSAKSA-N 0 0 372.469 2.898 20 10 FFCDRN COc1ccc2c(c1)CCN2C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000299419395 511628195 /nfs/dbraw/zinc/62/81/95/511628195.db2.gz FBBCVNWDCCGCAD-UHFFFAOYSA-N 0 0 367.449 2.804 20 10 FFCDRN CCOCCOCc1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000299488886 511657077 /nfs/dbraw/zinc/65/70/77/511657077.db2.gz IZBNDVZAVDMQNU-UHFFFAOYSA-N 0 0 358.438 2.945 20 10 FFCDRN CCc1nc([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(OC)c2O)no1 ZINC000365826342 511670848 /nfs/dbraw/zinc/67/08/48/511670848.db2.gz PTQVYXJYXGFESW-ZDUSSCGKSA-N 0 0 362.386 2.982 20 10 FFCDRN COC(=O)C=Cc1ccc(N2CCC[C@H](c3cc[nH]n3)C2)c([N+](=O)[O-])c1 ZINC000301102326 511688365 /nfs/dbraw/zinc/68/83/65/511688365.db2.gz PFYYPHRYQKHTDR-DYLGSBMWSA-N 0 0 356.382 2.888 20 10 FFCDRN Cc1cc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1F ZINC000284339293 511688661 /nfs/dbraw/zinc/68/86/61/511688661.db2.gz NEZSRPZOBUSNFR-UHFFFAOYSA-N 0 0 369.440 2.667 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000274016160 511693089 /nfs/dbraw/zinc/69/30/89/511693089.db2.gz AZHXEOGHXPHPPP-SFHVURJKSA-N 0 0 360.479 2.743 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCc2ccccc21 ZINC000284359299 511695555 /nfs/dbraw/zinc/69/55/55/511695555.db2.gz ONEAWHXREVVFLE-SFHVURJKSA-N 0 0 352.434 2.935 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1CCCS(=O)(=O)C1 ZINC000292716382 511697138 /nfs/dbraw/zinc/69/71/38/511697138.db2.gz AGYYLBPSNLTILH-KRWDZBQOSA-N 0 0 366.527 2.705 20 10 FFCDRN O=C([N-]CC1CC[NH+](Cc2c(O)cccc2Cl)CC1)C(F)(F)F ZINC000281113602 511724187 /nfs/dbraw/zinc/72/41/87/511724187.db2.gz BLLBYHAOVLARPJ-UHFFFAOYSA-N 0 0 350.768 2.936 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000274194851 511750700 /nfs/dbraw/zinc/75/07/00/511750700.db2.gz QRTZPCDNBBRBQF-AWEZNQCLSA-N 0 0 366.508 2.805 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nnc(C(C)(C)C)s1 ZINC000281184921 511752112 /nfs/dbraw/zinc/75/21/12/511752112.db2.gz ODXUEPZPDVNRHV-UHFFFAOYSA-N 0 0 374.510 2.944 20 10 FFCDRN CCOCC1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CC1 ZINC000281691940 511932020 /nfs/dbraw/zinc/93/20/20/511932020.db2.gz RYBICNXXFSHCCZ-GJZGRUSLSA-N 0 0 364.461 2.872 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(=CC(=O)N2CCOc3ccncc32)CC1 ZINC000293415945 511957001 /nfs/dbraw/zinc/95/70/01/511957001.db2.gz PINMDNOXQXKSJR-UHFFFAOYSA-N 0 0 359.426 2.764 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000366349123 511971892 /nfs/dbraw/zinc/97/18/92/511971892.db2.gz OINHGRBKBXBLET-KRWDZBQOSA-N 0 0 365.481 2.635 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(N3CCOCC3)c2)c1 ZINC000293763018 512077046 /nfs/dbraw/zinc/07/70/46/512077046.db2.gz RMDYEHDVKDZVOV-OAHLLOKOSA-N 0 0 370.449 2.866 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCCc3cnn(C)n3)c2C)cc1 ZINC000293776206 512081307 /nfs/dbraw/zinc/08/13/07/512081307.db2.gz ASTLWWZRYNMEMV-UHFFFAOYSA-N 0 0 367.453 2.594 20 10 FFCDRN COCCN1C(=O)CCc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc21 ZINC000275254715 512088387 /nfs/dbraw/zinc/08/83/87/512088387.db2.gz WRFPVHXOYIZPPB-UHFFFAOYSA-N 0 0 370.405 2.584 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CC[C@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000375729874 512476405 /nfs/dbraw/zinc/47/64/05/512476405.db2.gz IHPZYKLPRPNPQL-LJQANCHMSA-N 0 0 356.378 2.940 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)ccc1[N+](=O)[O-] ZINC000375729873 512476436 /nfs/dbraw/zinc/47/64/36/512476436.db2.gz IHPZYKLPRPNPQL-IBGZPJMESA-N 0 0 356.378 2.940 20 10 FFCDRN CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000375787561 512506544 /nfs/dbraw/zinc/50/65/44/512506544.db2.gz HEHLHYOQXFNHDL-WMLDXEAASA-N 0 0 357.429 2.950 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](c2nc(-c3ccncc3)no2)C(C)C)c(O)c1O ZINC000371664167 512517162 /nfs/dbraw/zinc/51/71/62/512517162.db2.gz GPGDICIKGFUOSX-CQSZACIVSA-N 0 0 368.393 2.978 20 10 FFCDRN Cc1ncc2c(n1)CC[C@@H](NC(=O)NCc1c(O)ccc3c1CCCC3)C2 ZINC000371839778 512598247 /nfs/dbraw/zinc/59/82/47/512598247.db2.gz ZPGSGDHSPXMCAH-MRXNPFEDSA-N 0 0 366.465 2.726 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000375999673 512609394 /nfs/dbraw/zinc/60/93/94/512609394.db2.gz LKURYGSONZKEBX-AWEZNQCLSA-N 0 0 352.390 2.663 20 10 FFCDRN Nc1c(-n2cccn2)ncnc1N1CC=C(c2ccc(Cl)nc2)CC1 ZINC000378399661 512740576 /nfs/dbraw/zinc/74/05/76/512740576.db2.gz GNHXYUVOGUAWEI-UHFFFAOYSA-N 0 0 353.817 2.587 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCOC[C@@H]3C)CC2)cc1 ZINC000376532402 512861054 /nfs/dbraw/zinc/86/10/54/512861054.db2.gz LPOVBRFUAWCGFV-IRXDYDNUSA-N 0 0 361.486 2.590 20 10 FFCDRN O=C(C=Cc1ccc(O)c(O)c1)N1CCC(C(=O)c2ccc(O)cc2)CC1 ZINC000370368427 512897973 /nfs/dbraw/zinc/89/79/73/512897973.db2.gz UBPAUDKHPYXJLK-KRXBUXKQSA-N 0 0 367.401 2.938 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H](c3ccnn3C)C2)cc1F ZINC000374791779 513005732 /nfs/dbraw/zinc/00/57/32/513005732.db2.gz FGHBMCGFZKXEDG-HNNXBMFYSA-N 0 0 359.449 2.714 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(C(N)=O)c1 ZINC000471607296 514953843 /nfs/dbraw/zinc/95/38/43/514953843.db2.gz YGANNMIBMSELHB-UHFFFAOYSA-N 0 0 350.422 2.585 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNc1cnn(C)c(=O)c1Br ZINC000480495246 514976556 /nfs/dbraw/zinc/97/65/56/514976556.db2.gz GXGOPDLWPVFZIV-UHFFFAOYSA-N 0 0 361.243 2.955 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCOC1CCOCC1 ZINC000472006246 515083729 /nfs/dbraw/zinc/08/37/29/515083729.db2.gz PSUYJVCWGZEFHU-UHFFFAOYSA-N 0 0 359.470 2.872 20 10 FFCDRN Cc1nc2n(n1)CCC[C@H]2NC(=O)NCc1c(C)c2ccccc2n1C ZINC000472035749 515095170 /nfs/dbraw/zinc/09/51/70/515095170.db2.gz UVHFDPKNJKQSMV-OAHLLOKOSA-N 0 0 352.442 2.721 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(O[C@H]2CCOC2)CC1 ZINC000472220499 515174209 /nfs/dbraw/zinc/17/42/09/515174209.db2.gz GZZDSKWJNZAMSS-KRWDZBQOSA-N 0 0 371.481 2.966 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@H](C(=O)N2CCCC2)C1 ZINC000561779413 516768153 /nfs/dbraw/zinc/76/81/53/516768153.db2.gz ZOULZUXLFAKRHU-INIZCTEOSA-N 0 0 368.481 2.641 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)n1-c1cnccn1 ZINC000528994326 516850242 /nfs/dbraw/zinc/85/02/42/516850242.db2.gz BEISTQFKKMLYTR-LBPRGKRZSA-N 0 0 366.421 2.656 20 10 FFCDRN Cc1ccc(-c2nn(C)cc2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)o1 ZINC000528997050 516851554 /nfs/dbraw/zinc/85/15/54/516851554.db2.gz RUXFJWQKTOXDKG-NSHDSACASA-N 0 0 355.394 2.761 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000551895974 516936642 /nfs/dbraw/zinc/93/66/42/516936642.db2.gz SUQVEXOBUJOSRP-PWIZWCRZSA-N 0 0 371.481 2.558 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@]2(CCO[C@H]2C)C1 ZINC000525935213 517244203 /nfs/dbraw/zinc/24/42/03/517244203.db2.gz PQFRGEDUMGBUDL-MGPUTAFESA-N 0 0 357.454 2.576 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CC1COC1 ZINC000529675870 517277592 /nfs/dbraw/zinc/27/75/92/517277592.db2.gz QMMVTJGNBXIWAU-UHFFFAOYSA-N 0 0 351.038 2.653 20 10 FFCDRN C[C@H]1C[C@@H](NC(c2nccn2C)c2nccn2C)c2c1c(F)ccc2O ZINC000527947535 518007203 /nfs/dbraw/zinc/00/72/03/518007203.db2.gz QKJQPZOSEXOYGM-WCQYABFASA-N 0 0 355.417 2.926 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000528281972 518162700 /nfs/dbraw/zinc/16/27/00/518162700.db2.gz QEZGYASQYLHUEZ-BSTOTGJRSA-N 0 0 357.248 2.766 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N2CCCc3c(OC)cccc32)cn1 ZINC000566054937 519268187 /nfs/dbraw/zinc/26/81/87/519268187.db2.gz YGKHEQQCMBICEA-UHFFFAOYSA-N 0 0 365.437 2.905 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@H]2CCC[C@@H]21 ZINC000581152157 519548349 /nfs/dbraw/zinc/54/83/49/519548349.db2.gz QVYSFKPUBZUOST-WBVHZDCISA-N 0 0 353.466 2.894 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc2c1CN(C)C2=O ZINC000575353695 519600436 /nfs/dbraw/zinc/60/04/36/519600436.db2.gz RFPZJXCPAHGEKH-UHFFFAOYSA-N 0 0 366.421 2.769 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1COC[C@H]1c1ccccc1 ZINC000611658774 521267533 /nfs/dbraw/zinc/26/75/33/521267533.db2.gz YVJUMFZDKOMUJG-ROUUACIJSA-N 0 0 352.434 2.908 20 10 FFCDRN Cc1cc(C2(C(=O)N3CCOc4cc(N(C)C)ccc43)CCOCC2)on1 ZINC000625916561 521782313 /nfs/dbraw/zinc/78/23/13/521782313.db2.gz ZDNZCNYICGIPEA-UHFFFAOYSA-N 0 0 371.437 2.523 20 10 FFCDRN Fc1ccccc1NNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737671168 598318695 /nfs/dbraw/zinc/31/86/95/598318695.db2.gz ZVNSIVBWWRLOQM-UHFFFAOYSA-N 0 0 363.809 2.973 20 10 FFCDRN Clc1cc(NCc2ccc(N3CCOCC3)cc2)ccc1-c1nn[nH]n1 ZINC000737563059 598656873 /nfs/dbraw/zinc/65/68/73/598656873.db2.gz DVNRCFDHBDTIOS-UHFFFAOYSA-N 0 0 370.844 2.969 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCC[C@H](N3CCCC3=O)C2)c1O ZINC000740098747 600281730 /nfs/dbraw/zinc/28/17/30/600281730.db2.gz UAMMNHLRUHYLNJ-HNNXBMFYSA-N 0 0 368.433 2.830 20 10 FFCDRN COCCOC[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000831763768 600717359 /nfs/dbraw/zinc/71/73/59/600717359.db2.gz WZCDMSVYWUGUDZ-AWEZNQCLSA-N 0 0 359.422 2.729 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCC[C@@H]1CNC(=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000825473515 604371858 /nfs/dbraw/zinc/37/18/58/604371858.db2.gz RHTNHPOFQGFLOQ-YSVLISHTSA-N 0 0 365.449 2.749 20 10 FFCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1 ZINC000825464057 604932898 /nfs/dbraw/zinc/93/28/98/604932898.db2.gz BQNLNNADPRBMKK-XYJFISCASA-N 0 0 361.486 2.952 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825483850 604933926 /nfs/dbraw/zinc/93/39/26/604933926.db2.gz BNEMWYNFDPLYBW-CABCVRRESA-N 0 0 365.449 2.703 20 10 FFCDRN COc1cc(O)c(C[N@H+](C2CC2)C2CCN(C(=O)[O-])CC2)cc1OC ZINC000833887264 605499400 /nfs/dbraw/zinc/49/94/00/605499400.db2.gz CYWGGOCBONOYEF-UHFFFAOYSA-N 0 0 350.415 2.516 20 10 FFCDRN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1O ZINC000833897911 605993096 /nfs/dbraw/zinc/99/30/96/605993096.db2.gz PGAZCMDTQOEEND-ZWNOBZJWSA-N 0 0 357.248 2.941 20 10 FFCDRN CC(=O)c1cc(F)cc(CN(C)Cc2ccc(-c3nn[nH]n3)cc2)c1O ZINC000819833562 606199258 /nfs/dbraw/zinc/19/92/58/606199258.db2.gz HDQBMONMXAJWAE-UHFFFAOYSA-N 0 0 355.373 2.546 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(F)cc2-c2nn[nH]n2)cc1F ZINC000821589225 606345931 /nfs/dbraw/zinc/34/59/31/606345931.db2.gz DGCRGNSUBOSXMJ-UHFFFAOYSA-N 0 0 373.367 2.533 20 10 FFCDRN CCN(CC)c1ccc(CNc2nccc(-c3nn[nH]n3)c2[N+](=O)[O-])cc1 ZINC000821196972 606699625 /nfs/dbraw/zinc/69/96/25/606699625.db2.gz DIUXCCKXPBBPMZ-UHFFFAOYSA-N 0 0 368.401 2.628 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@]3(C)CCCS3)CC2)cc1F ZINC000153414962 728779202 /nfs/dbraw/zinc/77/92/02/728779202.db2.gz SPQPCWGMDVZIHY-SFHVURJKSA-N 0 0 367.490 2.952 20 10 FFCDRN C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCO1 ZINC000153619222 728784438 /nfs/dbraw/zinc/78/44/38/728784438.db2.gz UIHQENGCZDHPGA-SCLBCKFNSA-N 0 0 354.397 2.942 20 10 FFCDRN C[C@@](O)(CNC(=O)NCCCSc1nccs1)c1cccs1 ZINC000154673546 728809647 /nfs/dbraw/zinc/80/96/47/728809647.db2.gz YOQCBIOFTJUXJZ-CQSZACIVSA-N 0 0 357.526 2.894 20 10 FFCDRN COCCSCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000743455920 735299378 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FFCDRN CC(C)(C)OC(=O)N1CCOC[C@@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000858280353 730421721 /nfs/dbraw/zinc/42/17/21/730421721.db2.gz PUHLTAUSXCFDMV-NSHDSACASA-N 0 0 374.840 2.910 20 10 FFCDRN Cc1oc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000858453234 730426232 /nfs/dbraw/zinc/42/62/32/730426232.db2.gz UFTACSGHWRWCGW-UHFFFAOYSA-N 0 0 362.451 2.522 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCCCn2cc(Br)cn2)c1 ZINC000858462377 730426394 /nfs/dbraw/zinc/42/63/94/730426394.db2.gz MGHCMIUOKRMVBP-UHFFFAOYSA-N 0 0 367.247 2.549 20 10 FFCDRN CCO[C@@H](CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C1CC1 ZINC000858913780 730436484 /nfs/dbraw/zinc/43/64/84/730436484.db2.gz LWXRLMYFBDWVRQ-IBGZPJMESA-N 0 0 366.527 2.862 20 10 FFCDRN Cc1cc(C2(C(=O)NCCCSc3nccs3)CCOCC2)on1 ZINC000859352274 730451487 /nfs/dbraw/zinc/45/14/87/730451487.db2.gz RMGWUFIPDNSBRV-UHFFFAOYSA-N 0 0 367.496 2.786 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@H](C)[S@](C)=O ZINC000860202972 730487032 /nfs/dbraw/zinc/48/70/32/730487032.db2.gz 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Cc1cc(CNC(=O)C2(S(C)(=O)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000863162255 730753489 /nfs/dbraw/zinc/75/34/89/730753489.db2.gz ZVPQVPNTXLCEBX-UHFFFAOYSA-N 0 0 360.479 2.596 20 10 FFCDRN COC(=O)C1=C(C)N(C)C(=O)N(C)[C@@H]1c1cc(F)c(N(C)C)cc1F ZINC000863388114 730775016 /nfs/dbraw/zinc/77/50/16/730775016.db2.gz VFBCMJJTQCLPIY-OAHLLOKOSA-N 0 0 353.369 2.516 20 10 FFCDRN Fc1cc(CNc2nnc([C@H]3CCCO3)s2)ccc1N1CCOCC1 ZINC000865295419 730936320 /nfs/dbraw/zinc/93/63/20/730936320.db2.gz DYHYMISFOUCWGH-OAHLLOKOSA-N 0 0 364.446 2.977 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1(C(F)F)CCC1 ZINC000866213825 731041183 /nfs/dbraw/zinc/04/11/83/731041183.db2.gz ZXGPTSQPVMHCFZ-UHFFFAOYSA-N 0 0 356.388 2.838 20 10 FFCDRN COC1(CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)CCCC1 ZINC000866485834 731066044 /nfs/dbraw/zinc/06/60/44/731066044.db2.gz RVZHVOFZUJAISG-UHFFFAOYSA-N 0 0 352.500 2.665 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)c3c[nH]c(=O)s3)cc2)CC1 ZINC000866752867 731095882 /nfs/dbraw/zinc/09/58/82/731095882.db2.gz 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C[C@H](NC(=O)NC[C@@H]1CC(C(F)(F)F)=NO1)c1ccc(N(C)C)cc1 ZINC000875507256 732162478 /nfs/dbraw/zinc/16/24/78/732162478.db2.gz CIRUPTAGLOPBEU-GWCFXTLKSA-N 0 0 358.364 2.820 20 10 FFCDRN CCS[C@H](C)c1noc(CN(C)C(=O)c2ccc(C)c(O)c2O)n1 ZINC000780984523 738592182 /nfs/dbraw/zinc/59/21/82/738592182.db2.gz XLDXSPOBTAQKTP-SNVBAGLBSA-N 0 0 351.428 2.876 20 10 FFCDRN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877516300 732378874 /nfs/dbraw/zinc/37/88/74/732378874.db2.gz YXBXQBCVLPAKBQ-GUYCJALGSA-N 0 0 358.404 2.799 20 10 FFCDRN Oc1cccc2c1CN(Cc1ncc(I)s1)C2 ZINC000877703086 732416563 /nfs/dbraw/zinc/41/65/63/732416563.db2.gz QXDBGIUULSTWCJ-UHFFFAOYSA-N 0 0 358.204 2.969 20 10 FFCDRN COc1cccc2c1O[C@H](c1c(O)cccc1Br)NC2=O ZINC000877843510 732444901 /nfs/dbraw/zinc/44/49/01/732444901.db2.gz RGLKOCFOGQOEDH-OAHLLOKOSA-N 0 0 350.168 2.984 20 10 FFCDRN O=C(NCc1c(O)cccc1F)NC[C@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000926404578 738611577 /nfs/dbraw/zinc/61/15/77/738611577.db2.gz 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O=C(COC(=O)C1=CC(=O)CS1)Nc1ccc(N2CCCCC2)nc1 ZINC000732354429 734736902 /nfs/dbraw/zinc/73/69/02/734736902.db2.gz LWNGBJSXKZLXEM-UHFFFAOYSA-N 0 0 361.423 2.635 20 10 FFCDRN CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000732446098 734742030 /nfs/dbraw/zinc/74/20/30/734742030.db2.gz XFWFMBSPTYCUGX-AWEZNQCLSA-N 0 0 355.500 2.707 20 10 FFCDRN COC(=O)c1cnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000893880126 734766668 /nfs/dbraw/zinc/76/66/68/734766668.db2.gz LYOYKNNEDMDEPG-CQSZACIVSA-N 0 0 362.451 2.817 20 10 FFCDRN CCS(=O)(=O)C[C@H](C)N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000733120576 734791414 /nfs/dbraw/zinc/79/14/14/734791414.db2.gz DDXWIJZYNWSMMC-INIZCTEOSA-N 0 0 362.495 2.989 20 10 FFCDRN CC[C@H](C)CS(=O)(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000733312578 734806959 /nfs/dbraw/zinc/80/69/59/734806959.db2.gz CGOGLODODCLQOO-RRFJBIMHSA-N 0 0 372.506 2.905 20 10 FFCDRN Cc1ccc(C(=O)OCc2csc(CC(=O)OC(C)C)n2)c(O)c1O ZINC000733475207 734824531 /nfs/dbraw/zinc/82/45/31/734824531.db2.gz 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O=C(NCc1cccc(Br)c1O)NC[C@H]1CC[C@H](C2CC2)O1 ZINC000897198831 735205643 /nfs/dbraw/zinc/20/56/43/735205643.db2.gz BZIUVZWRKXLALJ-TZMCWYRMSA-N 0 0 369.259 2.912 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cnn(C(C)C)c2)cc1F ZINC000742294561 735221365 /nfs/dbraw/zinc/22/13/65/735221365.db2.gz WYQQDNRJFJWNGO-UHFFFAOYSA-N 0 0 368.478 2.928 20 10 FFCDRN CCOc1cccc(NC(=S)NNc2ccccc2S(C)(=O)=O)c1 ZINC000742999752 735268384 /nfs/dbraw/zinc/26/83/84/735268384.db2.gz NHAMRAKIYXBHFW-UHFFFAOYSA-N 0 0 365.480 2.802 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc3ncccc3c2)cc1F ZINC000747254623 735550123 /nfs/dbraw/zinc/55/01/23/735550123.db2.gz GWXNQJMFGROLNS-UHFFFAOYSA-N 0 0 359.426 2.918 20 10 FFCDRN COC(=O)c1cnc(SC[C@@H](O)COc2ccc3cc[nH]c3c2)s1 ZINC000899887337 735565561 /nfs/dbraw/zinc/56/55/61/735565561.db2.gz QXAIAJLWKXNNBY-NSHDSACASA-N 0 0 364.448 2.943 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H](CC(=O)NCc2c(O)cccc2F)C1 ZINC000928705597 738897623 /nfs/dbraw/zinc/89/76/23/738897623.db2.gz 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COc1ccc(O)c(CNC(=O)Nc2cc(F)c(OC)cc2OC)c1 ZINC000755833880 736282365 /nfs/dbraw/zinc/28/23/65/736282365.db2.gz OHNHKUDNRXEZCK-UHFFFAOYSA-N 0 0 350.346 2.879 20 10 FFCDRN C[C@@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1cc(F)cc(F)c1[O-] ZINC000756524413 736338580 /nfs/dbraw/zinc/33/85/80/736338580.db2.gz IRWFHJOHWANWBM-LLVKDONJSA-N 0 0 350.365 2.847 20 10 FFCDRN C[C@@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756546869 736341107 /nfs/dbraw/zinc/34/11/07/736341107.db2.gz TWCCTPREZOHBJL-WDEREUQCSA-N 0 0 361.255 2.665 20 10 FFCDRN C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756546868 736341169 /nfs/dbraw/zinc/34/11/69/736341169.db2.gz TWCCTPREZOHBJL-QWRGUYRKSA-N 0 0 361.255 2.665 20 10 FFCDRN CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000756654617 736349785 /nfs/dbraw/zinc/34/97/85/736349785.db2.gz LJZYLQHSYBRHFC-VHSXEESVSA-N 0 0 359.239 2.955 20 10 FFCDRN C[C@H](CCS(C)(=O)=O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756657639 736350252 /nfs/dbraw/zinc/35/02/52/736350252.db2.gz DYIMGHDHYSGUBH-BDAKNGLRSA-N 0 0 368.268 2.768 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000756863164 736367738 /nfs/dbraw/zinc/36/77/38/736367738.db2.gz UOIGRWJTMIMFGC-NWDGAFQWSA-N 0 0 352.431 2.566 20 10 FFCDRN Cc1nn(C)c(C)c1[C@@H](NC(=O)NCc1ccccc1O)C(F)(F)F ZINC000757889037 736433331 /nfs/dbraw/zinc/43/33/31/736433331.db2.gz OPQOPKMMCQFDDH-CQSZACIVSA-N 0 0 356.348 2.845 20 10 FFCDRN COC(=O)c1nc(C(=O)NCc2ccc(N3CCCCC3)cc2)cs1 ZINC000906433911 736501899 /nfs/dbraw/zinc/50/18/99/736501899.db2.gz NBIIKJOERPYPCN-UHFFFAOYSA-N 0 0 359.451 2.850 20 10 FFCDRN C[C@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000795842529 740069927 /nfs/dbraw/zinc/06/99/27/740069927.db2.gz APENTOZHUDVLGI-LURJTMIESA-N 0 0 371.609 2.840 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1cccc(-n2cncn2)c1 ZINC000759580126 736578319 /nfs/dbraw/zinc/57/83/19/736578319.db2.gz HPJRFNNYGZAUGH-UHFFFAOYSA-N 0 0 374.495 2.705 20 10 FFCDRN CC(C)n1ccc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1 ZINC000761279478 736716908 /nfs/dbraw/zinc/71/69/08/736716908.db2.gz TZSKPPCPBPYYNB-UHFFFAOYSA-N 0 0 362.817 2.787 20 10 FFCDRN COc1cc(OC)c(NC(=O)NCCc2ccc(O)c(O)c2)cc1F ZINC000761654807 736751485 /nfs/dbraw/zinc/75/14/85/736751485.db2.gz HOEVRFBOMYJBFJ-UHFFFAOYSA-N 0 0 350.346 2.618 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CSCN2C(=O)C(C)(C)C)c1 ZINC000761971652 736778241 /nfs/dbraw/zinc/77/82/41/736778241.db2.gz ADZKYCCNMBGNRL-SMDDNHRTSA-N 0 0 366.483 2.526 20 10 FFCDRN CCc1csc(-n2cc(C(=O)NCc3cc(OC)ccc3O)cn2)n1 ZINC000763069284 736898761 /nfs/dbraw/zinc/89/87/61/736898761.db2.gz YCIMSIIOOAZTDD-UHFFFAOYSA-N 0 0 358.423 2.535 20 10 FFCDRN C[C@H]1CC(NC(=O)NCc2cccc(Br)c2O)C[C@H](C)O1 ZINC000764800703 737051192 /nfs/dbraw/zinc/05/11/92/737051192.db2.gz QTRMCURSSXVPRR-UWVGGRQHSA-N 0 0 357.248 2.910 20 10 FFCDRN CN(c1cccc(OC(F)(F)F)c1)S(=O)(=O)c1cccc2nonc21 ZINC000765081750 737080031 /nfs/dbraw/zinc/08/00/31/737080031.db2.gz 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O=C(NCCc1ccc(O)c(O)c1)c1cc(F)cc(Br)c1 ZINC000768904378 737475377 /nfs/dbraw/zinc/47/53/77/737475377.db2.gz XKCFGKCYJBWZEV-UHFFFAOYSA-N 0 0 354.175 2.972 20 10 FFCDRN CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769688177 737553768 /nfs/dbraw/zinc/55/37/68/737553768.db2.gz GAFKUWRHHKPZOR-IVMMDQJWSA-N 0 0 368.499 2.954 20 10 FFCDRN CC(C)CC(CC(C)C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769764491 737563795 /nfs/dbraw/zinc/56/37/95/737563795.db2.gz DBNRLQVEUXXJTQ-UHFFFAOYSA-N 0 0 356.488 2.954 20 10 FFCDRN Cc1csc(=O)n1CCOC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000914907622 737598275 /nfs/dbraw/zinc/59/82/75/737598275.db2.gz UGAPLBAETWOGGH-UHFFFAOYSA-N 0 0 357.435 2.878 20 10 FFCDRN C[S@](=O)c1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000770221896 737607069 /nfs/dbraw/zinc/60/70/69/737607069.db2.gz YQCNQBLQFJUWOI-VWLOTQADSA-N 0 0 374.531 2.907 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCC[C@@H](N(C)C)C(F)(F)F)cc1F ZINC000915367124 737626870 /nfs/dbraw/zinc/62/68/70/737626870.db2.gz 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Cc1cc(N2CCC[C@H]([NH2+]Cc3cc(Cl)cc(F)c3[O-])C2)n(C)n1 ZINC000775176065 738069717 /nfs/dbraw/zinc/06/97/17/738069717.db2.gz JJHZWYKWEKSEEC-AWEZNQCLSA-N 0 0 352.841 2.985 20 10 FFCDRN COC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000775286176 738078169 /nfs/dbraw/zinc/07/81/69/738078169.db2.gz FPQVVHOVDWIYOB-UHFFFAOYSA-N 0 0 365.407 2.605 20 10 FFCDRN CC[C@@H](NCc1nnnn1C1CC1)c1cc(Br)ccc1O ZINC000775528363 738099384 /nfs/dbraw/zinc/09/93/84/738099384.db2.gz XPJSHJSCPKHCTE-GFCCVEGCSA-N 0 0 352.236 2.717 20 10 FFCDRN C[C@@H](N[C@@H]1C[NH2+]CCC1(F)F)c1cc(Br)c(F)cc1[O-] ZINC000817980908 742226382 /nfs/dbraw/zinc/22/63/82/742226382.db2.gz NUWVFYUSLTWHRS-JMCQJSRRSA-N 0 0 353.182 2.942 20 10 FFCDRN C[C@@H](NC(=O)N1CCCN(CC(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000776243565 738174021 /nfs/dbraw/zinc/17/40/21/738174021.db2.gz DUXVAISXNPMPRO-CQSZACIVSA-N 0 0 354.445 2.796 20 10 FFCDRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000776340876 738184270 /nfs/dbraw/zinc/18/42/70/738184270.db2.gz 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CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(OCCOC)cc1 ZINC000790411345 739449864 /nfs/dbraw/zinc/44/98/64/739449864.db2.gz KNBDQTLHGRCYTB-UHFFFAOYSA-N 0 0 367.423 2.617 20 10 FFCDRN CCOc1cc(O)ccc1NS(=O)(=O)CCOc1ccc(F)cc1 ZINC000790411877 739450358 /nfs/dbraw/zinc/45/03/58/739450358.db2.gz SJIOVVCLTIJOIH-UHFFFAOYSA-N 0 0 355.387 2.751 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000790416401 739451356 /nfs/dbraw/zinc/45/13/56/739451356.db2.gz WRFAIQKJMSPWPF-UHFFFAOYSA-N 0 0 353.371 2.681 20 10 FFCDRN O=[N+]([O-])c1c(F)cccc1NNC(=S)Nc1ccc2c(c1)OCCO2 ZINC000790606939 739473685 /nfs/dbraw/zinc/47/36/85/739473685.db2.gz FSBLPSVSWSRCCI-UHFFFAOYSA-N 0 0 364.358 2.819 20 10 FFCDRN CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000790665509 739483575 /nfs/dbraw/zinc/48/35/75/739483575.db2.gz DXTFSEDRPPVCFM-UHFFFAOYSA-N 0 0 350.415 2.569 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC000932668207 739489633 /nfs/dbraw/zinc/48/96/33/739489633.db2.gz RRSOHKBNFPHXCQ-DZGCQCFKSA-N 0 0 350.484 2.531 20 10 FFCDRN O=C(Cc1cc(F)c(Cl)cc1[N+](=O)[O-])NCCc1ccc(O)c(O)c1 ZINC000790895558 739510015 /nfs/dbraw/zinc/51/00/15/739510015.db2.gz WEIZIZQEYURCRH-UHFFFAOYSA-N 0 0 368.748 2.700 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1O ZINC000790899110 739510696 /nfs/dbraw/zinc/51/06/96/739510696.db2.gz IPYJYXJZNMYGFT-NWDGAFQWSA-N 0 0 350.415 2.616 20 10 FFCDRN CC(C)OC(=O)CC[C@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000792057677 739631908 /nfs/dbraw/zinc/63/19/08/739631908.db2.gz HVXPTSRJRUBMAP-ZDUSSCGKSA-N 0 0 353.438 2.811 20 10 FFCDRN Cc1cc(CC(=O)N[C@@H](C)C(=O)N(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000792517444 739679307 /nfs/dbraw/zinc/67/93/07/739679307.db2.gz MAAGFXCVKASZHD-ZDUSSCGKSA-N 0 0 361.873 2.883 20 10 FFCDRN CN(C)c1ccc(CN2CCN(C(=O)C3CC3)CC2)c(C(F)(F)F)c1 ZINC000792775901 739706331 /nfs/dbraw/zinc/70/63/31/739706331.db2.gz FFMARIMQNYKTPP-UHFFFAOYSA-N 0 0 355.404 2.826 20 10 FFCDRN COc1ccc(CNC(=O)NCc2csc([C@@H](C)OC)n2)c(O)c1 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CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2F)ccc1C ZINC000795349083 740007914 /nfs/dbraw/zinc/00/79/14/740007914.db2.gz VDTWKIWZOAIKOJ-UHFFFAOYSA-N 0 0 353.371 2.817 20 10 FFCDRN COc1ccccc1S(=O)(=O)NCc1cc(Br)ccc1O ZINC000796190235 740114360 /nfs/dbraw/zinc/11/43/60/740114360.db2.gz CYPUAAKJIKASBY-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN Cc1cc(C(=O)CN(CCO)CC(F)F)c(C)n1-c1cccc(F)c1 ZINC000796469946 740145611 /nfs/dbraw/zinc/14/56/11/740145611.db2.gz XXHLUIBLMAIFGK-UHFFFAOYSA-N 0 0 354.372 2.975 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(C[S@@](C)=O)cc2)cc1 ZINC000796657132 740168000 /nfs/dbraw/zinc/16/80/00/740168000.db2.gz CJILOTGHUINBOY-RUZDIDTESA-N 0 0 359.495 2.631 20 10 FFCDRN CC[C@H]([NH2+]Cc1ccc(CS(=O)(=O)NC)cc1)c1ccc(F)cc1[O-] ZINC000796699727 740173315 /nfs/dbraw/zinc/17/33/15/740173315.db2.gz ATBVDMMEGXLLIH-KRWDZBQOSA-N 0 0 366.458 2.821 20 10 FFCDRN O=C(COC(F)F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000796748259 740179730 /nfs/dbraw/zinc/17/97/30/740179730.db2.gz WHVFMCYNUYJWGU-JTQLQIEISA-N 0 0 350.312 2.612 20 10 FFCDRN C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000797031337 740204864 /nfs/dbraw/zinc/20/48/64/740204864.db2.gz JSRWFZARQGWKIX-SNVBAGLBSA-N 0 0 362.239 2.876 20 10 FFCDRN CC1=C(Br)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 ZINC000797439727 740246552 /nfs/dbraw/zinc/24/65/52/740246552.db2.gz VAVBCOUWWJZKAR-UHFFFAOYSA-N 0 0 368.187 2.805 20 10 FFCDRN C[S@@](=O)c1ccc(CC(=O)NCCCSc2nccs2)cc1 ZINC000797873520 740283133 /nfs/dbraw/zinc/28/31/33/740283133.db2.gz MBLIPYXTWRYSDY-JOCHJYFZSA-N 0 0 354.522 2.722 20 10 FFCDRN COC(=O)CNC(=O)c1ccc(NCc2cc(Cl)cc(C)c2O)cc1 ZINC000798081537 740302629 /nfs/dbraw/zinc/30/26/29/740302629.db2.gz NSXKQGXCRDMUAN-UHFFFAOYSA-N 0 0 362.813 2.869 20 10 FFCDRN COCC[C@@H](CO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000798940387 740375355 /nfs/dbraw/zinc/37/53/55/740375355.db2.gz GNXBWILLTWVTFP-WPRPVWTQSA-N 0 0 352.656 2.856 20 10 FFCDRN CSC[C@@H](C)C(=O)N1CCC(C(=O)N(C)Cc2ccccc2O)CC1 ZINC000799689588 740440990 /nfs/dbraw/zinc/44/09/90/740440990.db2.gz NKSLAPMTZAWKOV-CQSZACIVSA-N 0 0 364.511 2.588 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)N(C)C3)cc2Cl)C1 ZINC000800049740 740478269 /nfs/dbraw/zinc/47/82/69/740478269.db2.gz UZNRFFCUNRJXQH-DZGCQCFKSA-N 0 0 363.889 2.671 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CN3CCCC3=O)cc2Cl)C1 ZINC000800049814 740478359 /nfs/dbraw/zinc/47/83/59/740478359.db2.gz WPZZAGNRFJJVEV-CQSZACIVSA-N 0 0 363.889 2.815 20 10 FFCDRN CCOc1cccc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000800057572 740479550 /nfs/dbraw/zinc/47/95/50/740479550.db2.gz HGTYGOXFPKAGJX-GFCCVEGCSA-N 0 0 351.424 2.839 20 10 FFCDRN COCCS(=O)(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800148250 740492084 /nfs/dbraw/zinc/49/20/84/740492084.db2.gz JYAZNEWVPWRQST-CYBMUJFWSA-N 0 0 360.907 2.642 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCC(=O)N3C)cc2Cl)C1 ZINC000800571172 740534421 /nfs/dbraw/zinc/53/44/21/740534421.db2.gz GLURMAAVZIKEGR-CXAGYDPISA-N 0 0 363.889 2.813 20 10 FFCDRN 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O=C(NCCc1cnc(SC2CCCC2)nc1)c1cccc(O)c1O ZINC000819057463 742331783 /nfs/dbraw/zinc/33/17/83/742331783.db2.gz SQYCDUYOMZJJKZ-UHFFFAOYSA-N 0 0 359.451 2.895 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)CSc3ccncc3)C2)cc1 ZINC000819578800 742410572 /nfs/dbraw/zinc/41/05/72/742410572.db2.gz YEQWSSQNGHWPLE-HNNXBMFYSA-N 0 0 357.479 2.825 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)nc(C(F)(F)F)n1 ZINC000819754994 742429012 /nfs/dbraw/zinc/42/90/12/742429012.db2.gz BCIKCRLMSMABEA-UHFFFAOYSA-N 0 0 360.332 2.925 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)c3ccccc3F)C2)cc1 ZINC000819891024 742440598 /nfs/dbraw/zinc/44/05/98/742440598.db2.gz WSJNZRFDVBFQFB-CQSZACIVSA-N 0 0 364.442 2.639 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CC1(OC)CCCC1 ZINC000820782601 742549323 /nfs/dbraw/zinc/54/93/23/742549323.db2.gz QNDLLMVESAZPGA-UHFFFAOYSA-N 0 0 354.516 2.864 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCc3cnc(C)s3)C2)cc1 ZINC000822886394 742797235 /nfs/dbraw/zinc/79/72/35/742797235.db2.gz 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ZINC000825823099 743331059 /nfs/dbraw/zinc/33/10/59/743331059.db2.gz RCSMJIFRXWNMBG-UHFFFAOYSA-N 0 0 361.290 2.551 20 10 FFCDRN COC(=O)CSCCNC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000826594800 743402169 /nfs/dbraw/zinc/40/21/69/743402169.db2.gz QYYSASKKQKNMRH-UHFFFAOYSA-N 0 0 360.479 2.659 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C/C=C\CO ZINC000826938027 743473942 /nfs/dbraw/zinc/47/39/42/743473942.db2.gz XLOSXMCLUJETGX-UPHRSURJSA-N 0 0 351.038 2.555 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](O)CCSC ZINC000827084731 743502189 /nfs/dbraw/zinc/50/21/89/743502189.db2.gz BDJFVBAIJBLEKW-CYBMUJFWSA-N 0 0 362.289 2.617 20 10 FFCDRN CO[C@@H](CS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000829768040 745257209 /nfs/dbraw/zinc/25/72/09/745257209.db2.gz JJOZPJWRTGLLQE-IBGZPJMESA-N 0 0 362.495 2.902 20 10 FFCDRN CCOCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(F)c2F)cc1 ZINC000830184476 745320285 /nfs/dbraw/zinc/32/02/85/745320285.db2.gz IBJPFBSEPGPBCG-UHFFFAOYSA-N 0 0 373.377 2.887 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000831930532 745607015 /nfs/dbraw/zinc/60/70/15/745607015.db2.gz DONYKIMJUBRREP-HZMBPMFUSA-N 0 0 357.332 2.535 20 10 FFCDRN C[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000834271001 745809787 /nfs/dbraw/zinc/80/97/87/745809787.db2.gz JJHDPYBSDVMDQK-KSIQUBBLSA-N 0 0 350.415 2.529 20 10 FFCDRN CCOCCOCCCC(=O)NCc1cccc(Br)c1O ZINC000834475777 745846238 /nfs/dbraw/zinc/84/62/38/745846238.db2.gz DANWSPNVZCCYRI-UHFFFAOYSA-N 0 0 360.248 2.604 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1cc(F)cc(F)c1[O-] ZINC000834882545 745918547 /nfs/dbraw/zinc/91/85/47/745918547.db2.gz ROHDUQQPRJCJPV-NSHDSACASA-N 0 0 370.421 2.772 20 10 FFCDRN CC[C@H]([NH2+]CCS(=O)(=O)C1CCOCC1)c1cccc(Cl)c1[O-] ZINC000834891152 745920440 /nfs/dbraw/zinc/92/04/40/745920440.db2.gz QICWRNQPBCKICU-HNNXBMFYSA-N 0 0 361.891 2.680 20 10 FFCDRN Cc1ncccc1NC(=O)[C@H](C)[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000835070281 745944572 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CC(C)[C@@H](C)N(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747221 746705976 /nfs/dbraw/zinc/70/59/76/746705976.db2.gz PDSAYNXGTJKWQV-CYBMUJFWSA-N 0 0 355.429 2.987 20 10 FFCDRN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)CS1 ZINC000840259665 747050777 /nfs/dbraw/zinc/05/07/77/747050777.db2.gz ZMNUDFUICUYRBS-HIFRSBDPSA-N 0 0 351.541 2.933 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](CO)[C@H]2C)cc1F ZINC000840293211 747057292 /nfs/dbraw/zinc/05/72/92/747057292.db2.gz DSAXMPZCDJKQNG-GDBMZVCRSA-N 0 0 351.466 2.974 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CC(CO)(c2ccccc2)C1 ZINC000840325598 747065672 /nfs/dbraw/zinc/06/56/72/747065672.db2.gz ZCMHOVWZISBMQB-UHFFFAOYSA-N 0 0 363.508 2.581 20 10 FFCDRN C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)c1cc(F)cc(F)c1[O-] ZINC000840799860 747186930 /nfs/dbraw/zinc/18/69/30/747186930.db2.gz XLUCCPNKLMDAAB-ABAIWWIYSA-N 0 0 357.397 2.737 20 10 FFCDRN O=S1(=O)CCN(Cc2cc(Br)ccc2O)CCC12CCC2 ZINC000840969135 747246443 /nfs/dbraw/zinc/24/64/43/747246443.db2.gz 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C[C@@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C ZINC000847303265 748673062 /nfs/dbraw/zinc/67/30/62/748673062.db2.gz RRHJJDOXZMTYJE-LBPRGKRZSA-N 0 0 353.438 2.669 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000848392183 748917786 /nfs/dbraw/zinc/91/77/86/748917786.db2.gz WKWSAGDVNBBXMN-VIFPVBQESA-N 0 0 354.350 2.639 20 10 FFCDRN CC(=O)c1cc(O)ccc1NS(=O)(=O)CCCOCc1ccccc1 ZINC000848452536 748929431 /nfs/dbraw/zinc/92/94/31/748929431.db2.gz UHZVKRUCGDAOQO-UHFFFAOYSA-N 0 0 363.435 2.943 20 10 FFCDRN CCc1cccc(CNc2ccc(OC)c(NS(C)(=O)=O)c2)c1O ZINC000848891823 749029834 /nfs/dbraw/zinc/02/98/34/749029834.db2.gz BOZXHKLJAOPQIK-UHFFFAOYSA-N 0 0 350.440 2.947 20 10 FFCDRN COc1c(O)c(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000848927276 749036838 /nfs/dbraw/zinc/03/68/38/749036838.db2.gz DSIBTBMIJSWCAB-PWSUYJOCSA-N 0 0 364.320 2.899 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1ccc(N2CCCC2)cc1)C1CCCC1 ZINC000849371599 749116337 /nfs/dbraw/zinc/11/63/37/749116337.db2.gz 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ZINC000652141763 1015475912 /nfs/dbraw/zinc/47/59/12/1015475912.db2.gz ZGSFCFLCWBIEKT-GFCCVEGCSA-N 0 0 367.453 2.833 20 10 FFCDRN COC(=O)C12CCC(CC1)N2Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000879327008 1015480097 /nfs/dbraw/zinc/48/00/97/1015480097.db2.gz ADRYBTYQOTWXGM-UHFFFAOYSA-N 0 0 358.482 2.972 20 10 FFCDRN O=C(Cc1ccn(CC(F)(F)F)n1)Nc1c2nonc2ccc1Cl ZINC001128603062 989546955 /nfs/dbraw/zinc/54/69/55/989546955.db2.gz BQCQXONYGCQRBO-UHFFFAOYSA-N 0 0 359.695 2.816 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2Cc3ccccc3CN2C(C)=O)c1 ZINC000153891092 989759348 /nfs/dbraw/zinc/75/93/48/989759348.db2.gz FZIRQMVULJALDC-ORAYPTAESA-N 0 0 368.433 2.551 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)Cn1ccc(-c2nccs2)n1 ZINC000766066316 989902566 /nfs/dbraw/zinc/90/25/66/989902566.db2.gz AKSCKFZTYVAEQW-UHFFFAOYSA-N 0 0 369.494 2.933 20 10 FFCDRN NC(=O)c1ccnc(NCc2cc(Cl)c3cccnc3c2O)c1[N+](=O)[O-] ZINC001168522008 990005420 /nfs/dbraw/zinc/00/54/20/990005420.db2.gz NHVLLBFONYEQMZ-UHFFFAOYSA-N 0 0 373.756 2.608 20 10 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CCOc1ncccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920879091 990931135 /nfs/dbraw/zinc/93/11/35/990931135.db2.gz DUNQQSYIUYHRQA-HNNXBMFYSA-N 0 0 355.438 2.808 20 10 FFCDRN C[C@H](NC(=O)Cc1cn2ccccc2n1)c1ccc(N2CCOCC2)cc1 ZINC000920881174 990931399 /nfs/dbraw/zinc/93/13/99/990931399.db2.gz RDWKJIBRZYNEBJ-INIZCTEOSA-N 0 0 364.449 2.591 20 10 FFCDRN C[C@@H](NC(=O)c1cc(-c2ccoc2)n[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000920886632 990932221 /nfs/dbraw/zinc/93/22/21/990932221.db2.gz NGMPGVIYJCXKRE-CQSZACIVSA-N 0 0 366.421 2.997 20 10 FFCDRN CC[C@@H]1CO[C@@H](C)CN1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000920922000 990933011 /nfs/dbraw/zinc/93/30/11/990933011.db2.gz YJLZBQCUNQETIM-XYJFISCASA-N 0 0 361.486 2.793 20 10 FFCDRN CCN(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(OC)c(OC)c1 ZINC000921061101 990966098 /nfs/dbraw/zinc/96/60/98/990966098.db2.gz NZMCJTGWHIGENB-UHFFFAOYSA-N 0 0 372.421 2.575 20 10 FFCDRN COc1ccc(N2CC[NH+](CCCNC(=O)c3oc(C)cc3C)CC2)cc1 ZINC000175402085 991198966 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C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1noc(Cc2ccccc2)n1 ZINC000180853396 991565883 /nfs/dbraw/zinc/56/58/83/991565883.db2.gz IQDGJCYRYOXJAL-AORWBKJGSA-N 0 0 365.389 2.962 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(CN2CCCC2=O)c1 ZINC000180926945 991578266 /nfs/dbraw/zinc/57/82/66/991578266.db2.gz UGELVTGBEOSRGE-VQHVLOKHSA-N 0 0 366.417 2.550 20 10 FFCDRN COCCN(Cc1nnc(C2CCC2)n1C)c1ccc(OC)c(OC)c1 ZINC000181469757 991776754 /nfs/dbraw/zinc/77/67/54/991776754.db2.gz OPMWYGXVDONSCF-UHFFFAOYSA-N 0 0 360.458 2.753 20 10 FFCDRN COc1cccc2[nH]cc(CCNC(=O)NCc3cccc(OC)c3O)c21 ZINC000183856059 992583066 /nfs/dbraw/zinc/58/30/66/992583066.db2.gz TZIHAIAFBWHHIL-UHFFFAOYSA-N 0 0 369.421 2.933 20 10 FFCDRN CC(C)c1cc(N2CC=C(CCNC(=O)[C@H]3OCC[C@H]3C)CC2)ncn1 ZINC001089863929 992645872 /nfs/dbraw/zinc/64/58/72/992645872.db2.gz KHYUAPFBYICUNX-BEFAXECRSA-N 0 0 358.486 2.668 20 10 FFCDRN Cc1nccc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]3c3cccnc3)CC2)n1 ZINC001089864402 992651016 /nfs/dbraw/zinc/65/10/16/992651016.db2.gz 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COc1ccc(N2CC[C@H](CNC(=O)Nc3cncc(OC)c3)C2)cc1 ZINC000880545954 1015868529 /nfs/dbraw/zinc/86/85/29/1015868529.db2.gz GYWWAZYROQBYQY-CQSZACIVSA-N 0 0 356.426 2.747 20 10 FFCDRN COC(=O)[C@@H]1CC[C@@H]1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001131785525 994557828 /nfs/dbraw/zinc/55/78/28/994557828.db2.gz UEUDOEFKOBQOBR-RBUKOAKNSA-N 0 0 354.450 2.952 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc2[nH]c(=O)[nH]c2c1 ZINC000809636094 994562086 /nfs/dbraw/zinc/56/20/86/994562086.db2.gz RDRCPTOUHIERKK-UHFFFAOYSA-N 0 0 351.410 2.584 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2C[C@@H](c3ccccc3)OC2=O)c1 ZINC000809666336 994576170 /nfs/dbraw/zinc/57/61/70/994576170.db2.gz VFOSXTRITZAWBW-XZOAIXRZSA-N 0 0 355.390 2.882 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3ccnc(CN(C)C)c3)CC2)cc1 ZINC000880609860 1015895282 /nfs/dbraw/zinc/89/52/82/1015895282.db2.gz UYEFLMONYXHIMB-UHFFFAOYSA-N 0 0 369.469 2.506 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccnc(CN(C)C)c2)cc1 ZINC000880613889 1015896607 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O=S(=O)(Nc1c(F)cc(O)cc1F)c1cncc(Br)c1 ZINC001186418230 1003314817 /nfs/dbraw/zinc/31/48/17/1003314817.db2.gz KRQOYEDIGNEIFF-UHFFFAOYSA-N 0 0 365.155 2.629 20 10 FFCDRN CC(C)(C)c1cc(CN2CCN(C(=O)CO)CC2)c(O)c(C(C)(C)C)c1 ZINC000793591357 1003431840 /nfs/dbraw/zinc/43/18/40/1003431840.db2.gz HGRSASQSATYJMV-UHFFFAOYSA-N 0 0 362.514 2.624 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@H]2CCc3n[nH]cc3C2)c1 ZINC001186848168 1003435000 /nfs/dbraw/zinc/43/50/00/1003435000.db2.gz CXBIOWQPUSXHMD-HNNXBMFYSA-N 0 0 350.422 2.810 20 10 FFCDRN CCOC(=O)[C@@H]1CN(Cc2cc(Br)ccc2O)CCS1 ZINC001203649770 1003477410 /nfs/dbraw/zinc/47/74/10/1003477410.db2.gz FXGWECGLRHKDJB-ZDUSSCGKSA-N 0 0 360.273 2.635 20 10 FFCDRN C[C@H]1CCC[C@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000793945149 1003540540 /nfs/dbraw/zinc/54/05/40/1003540540.db2.gz WKNUQYARHREYGI-WMZOPIPTSA-N 0 0 355.482 2.622 20 10 FFCDRN COc1ccc(CNC(=O)CCCNc2ccc([N+](=O)[O-])cc2)c(O)c1 ZINC000794371258 1003618166 /nfs/dbraw/zinc/61/81/66/1003618166.db2.gz 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355.177 2.721 20 10 FFCDRN CN(C)c1ccc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000804971639 1003920284 /nfs/dbraw/zinc/92/02/84/1003920284.db2.gz JBCHRDBVQPLEIH-UHFFFAOYSA-N 0 0 374.510 2.616 20 10 FFCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CC1CS(=O)(=O)C1 ZINC000867223090 1004043450 /nfs/dbraw/zinc/04/34/50/1004043450.db2.gz SWLXBRLTNZNDOV-HNNXBMFYSA-N 0 0 373.474 2.917 20 10 FFCDRN O=S(=O)(C[C@@H]1CCCC2(CCC2)O1)NCc1cc(Cl)ccc1O ZINC001192215174 1004098239 /nfs/dbraw/zinc/09/82/39/1004098239.db2.gz NOZMFWJKLBOBIK-AWEZNQCLSA-N 0 0 359.875 2.957 20 10 FFCDRN Cc1ncc(NS(=O)(=O)c2ccc(N=Nc3ccccc3)cc2)c(=O)[nH]1 ZINC001197196664 1004116464 /nfs/dbraw/zinc/11/64/64/1004116464.db2.gz ABCNWEXCKCFYTM-BZROSYFNSA-N 0 0 369.406 2.778 20 10 FFCDRN COC(=O)C[C@@H]1COCCN1CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000805817037 1004150024 /nfs/dbraw/zinc/15/00/24/1004150024.db2.gz WGQFIVKJHOJSFV-GOSISDBHSA-N 0 0 370.449 2.541 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)CC(C)(C)C(C)C)C2)cc1 ZINC001192406502 1004163803 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FFCDRN Cc1ccccc1CN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807675501 1004658668 /nfs/dbraw/zinc/65/86/68/1004658668.db2.gz AHDDOTCJRNNNMU-INIZCTEOSA-N 0 0 353.466 2.897 20 10 FFCDRN COc1ccc(CN(C)C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000807672752 1004658759 /nfs/dbraw/zinc/65/87/59/1004658759.db2.gz HDSNVIZSQJAOHS-OAHLLOKOSA-N 0 0 369.465 2.597 20 10 FFCDRN C[C@H](NC(=O)C(=O)N[C@H](c1cccnc1)C1CC1)c1ccc(N(C)C)cc1 ZINC000807677013 1004659410 /nfs/dbraw/zinc/65/94/10/1004659410.db2.gz KLCQCGOCFHIIBK-LIRRHRJNSA-N 0 0 366.465 2.592 20 10 FFCDRN C[C@H](NC(=O)C(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21)c1ccc(N(C)C)cc1 ZINC000807676943 1004659668 /nfs/dbraw/zinc/65/96/68/1004659668.db2.gz JWCVUFNKOBCNBG-ILRDRHFLSA-N 0 0 357.498 2.967 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N1CC[C@@H](c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000807678087 1004661063 /nfs/dbraw/zinc/66/10/63/1004661063.db2.gz FJYBWTVCTJFGPC-VQIMIIECSA-N 0 0 365.477 2.946 20 10 FFCDRN COc1nc(Cl)ccc1S(=O)(=O)Nc1c(F)cc(O)cc1F ZINC001198701981 1004702099 /nfs/dbraw/zinc/70/20/99/1004702099.db2.gz VRCGHXYTYPWHEO-UHFFFAOYSA-N 0 0 350.730 2.528 20 10 FFCDRN Cc1cc(C(=O)NCCn2cnnn2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000807920779 1004719643 /nfs/dbraw/zinc/71/96/43/1004719643.db2.gz WUPDDDCLSXTXNV-UHFFFAOYSA-N 0 0 352.442 2.634 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN(C(=O)[C@H](C)CC)C1 ZINC000808094661 1004751517 /nfs/dbraw/zinc/75/15/17/1004751517.db2.gz XEPLACMGROTWOA-CABCVRRESA-N 0 0 367.486 2.779 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000808095887 1004752147 /nfs/dbraw/zinc/75/21/47/1004752147.db2.gz XOIAHMRNDYXUTK-UHFFFAOYSA-N 0 0 374.389 2.680 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(N2CCOC2=O)c1 ZINC000808095517 1004752176 /nfs/dbraw/zinc/75/21/76/1004752176.db2.gz HYOSWNKNWNFLNC-UHFFFAOYSA-N 0 0 361.394 2.765 20 10 FFCDRN O=C(NC1CN(C2COC2)C1)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195277760 1004930042 /nfs/dbraw/zinc/93/00/42/1004930042.db2.gz HNBQOGLVWCNYAC-QURGRASLSA-N 0 0 352.394 2.620 20 10 FFCDRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001195707098 1005026296 /nfs/dbraw/zinc/02/62/96/1005026296.db2.gz GPQIJOSYZQHMAK-UHFFFAOYSA-N 0 0 361.467 2.511 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCCc3ccc(CO)cc3)ccc21 ZINC000776041808 1005061522 /nfs/dbraw/zinc/06/15/22/1005061522.db2.gz NQURBNYGUKMFLR-UHFFFAOYSA-N 0 0 353.466 2.603 20 10 FFCDRN Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000776250307 1005313640 /nfs/dbraw/zinc/31/36/40/1005313640.db2.gz UFNKIRWSGXKALG-SCLBCKFNSA-N 0 0 371.485 2.937 20 10 FFCDRN C[C@@H](NC(=O)N1CCC(N2CCCC2=O)CC1)c1ccc(N(C)C)cc1 ZINC000776250556 1005313720 /nfs/dbraw/zinc/31/37/20/1005313720.db2.gz VRKBWYNFDSCCKG-OAHLLOKOSA-N 0 0 358.486 2.610 20 10 FFCDRN O=C(COC(=O)c1cccc(O)c1O)N1CCC(Cc2ccccc2)CC1 ZINC000776281432 1005346461 /nfs/dbraw/zinc/34/64/61/1005346461.db2.gz CPOYMRAOGOOVTO-UHFFFAOYSA-N 0 0 369.417 2.736 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(C(=O)N3CCCC3)n2)c1 ZINC001545684008 1005434903 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Cc1cc(C(=O)CN2CCOC[C@@H]2C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000828554693 1032752944 /nfs/dbraw/zinc/75/29/44/1032752944.db2.gz HECIVRSMQNAIFE-GOSISDBHSA-N 0 0 357.429 2.922 20 10 FFCDRN CCC[C@H]1NC(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C1=O ZINC000777624173 1018549166 /nfs/dbraw/zinc/54/91/66/1018549166.db2.gz DWPRNRINKBHVSH-OAHLLOKOSA-N 0 0 367.396 2.977 20 10 FFCDRN CN1CCCc2cc(CN3C(=O)NC4(Cc5ccccc5C4)C3=O)ccc21 ZINC000777627483 1018572164 /nfs/dbraw/zinc/57/21/64/1018572164.db2.gz FCMBCNRULDSHJQ-UHFFFAOYSA-N 0 0 361.445 2.658 20 10 FFCDRN COc1cccc(CNC(=O)c2cc(Br)cnc2F)c1O ZINC001137473539 1018634201 /nfs/dbraw/zinc/63/42/01/1018634201.db2.gz MPCVAPMYWKZJFD-UHFFFAOYSA-N 0 0 355.163 2.627 20 10 FFCDRN Cc1cc(CC(=O)NCC[C@@H]2CC(=O)N(C)C2)c(C)n1-c1ccccc1 ZINC000927736340 1018646515 /nfs/dbraw/zinc/64/65/15/1018646515.db2.gz UPHKLSJXWYRXMJ-QGZVFWFLSA-N 0 0 353.466 2.621 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@@H]2CC(=O)N(C)C2)c1 ZINC000927762688 1018658092 /nfs/dbraw/zinc/65/80/92/1018658092.db2.gz VVYAQNNDRIZOFE-MRXNPFEDSA-N 0 0 367.449 2.505 20 10 FFCDRN Cc1ccc(C(=O)OC[C@@H]2CCN(C(=O)c3ccccc3)C2)c(O)c1O ZINC000801250443 1018773519 /nfs/dbraw/zinc/77/35/19/1018773519.db2.gz CZISQVJOMJXIOX-CQSZACIVSA-N 0 0 355.390 2.725 20 10 FFCDRN Cc1nn(C)c2nc(C)c(CC(=O)NCc3c(O)cccc3F)c(C)c12 ZINC000928712832 1019086464 /nfs/dbraw/zinc/08/64/64/1019086464.db2.gz ZHWWKJQSWFSNJE-UHFFFAOYSA-N 0 0 356.401 2.597 20 10 FFCDRN CC1(C)CC(=O)c2cc(C(=O)NCc3c(O)cccc3F)c(=O)[nH]c2C1 ZINC000928712076 1019086512 /nfs/dbraw/zinc/08/65/12/1019086512.db2.gz OJHUCXAHIJCWIM-UHFFFAOYSA-N 0 0 358.369 2.717 20 10 FFCDRN Cc1cc(C(=O)CN2C[C@@H]3COC[C@H](C2)O3)c(C)n1-c1cc(C)cc(C)c1 ZINC000801589551 1019148035 /nfs/dbraw/zinc/14/80/35/1019148035.db2.gz RRPBQFCGDIKBEF-BGYRXZFFSA-N 0 0 368.477 2.993 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cn(Cc3ccccc3)nn2)cc1F ZINC000801733276 1019308286 /nfs/dbraw/zinc/30/82/86/1019308286.db2.gz WQCGMWVXHREEBN-UHFFFAOYSA-N 0 0 368.416 2.853 20 10 FFCDRN CCCc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(=O)[nH]1 ZINC000929537284 1019489878 /nfs/dbraw/zinc/48/98/78/1019489878.db2.gz LFPFSSLJLPYVSE-UHFFFAOYSA-N 0 0 369.465 2.849 20 10 FFCDRN C[C@@H](NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O)c1ccccc1O ZINC000827956253 1020123492 /nfs/dbraw/zinc/12/34/92/1020123492.db2.gz ISWOMUDMVHKKSN-PBHICJAKSA-N 0 0 353.422 2.726 20 10 FFCDRN O=C1CN(Cc2ccccc2O)C(=O)N1CCCOc1cccc(F)c1 ZINC000900185466 1020250532 /nfs/dbraw/zinc/25/05/32/1020250532.db2.gz MYKIVPXELDEQTJ-UHFFFAOYSA-N 0 0 358.369 2.765 20 10 FFCDRN CCN(CCOCCO)CC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000800427862 1020307756 /nfs/dbraw/zinc/30/77/56/1020307756.db2.gz GOICQVLLYAHRKI-UHFFFAOYSA-N 0 0 358.482 2.916 20 10 FFCDRN CC(C)C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000828885202 1032890665 /nfs/dbraw/zinc/89/06/65/1032890665.db2.gz YKDHICRBEVBFJE-HIFRSBDPSA-N 0 0 364.486 2.722 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC[C@H](Nc3cnccn3)CC2)cc1F ZINC000931146821 1020346664 /nfs/dbraw/zinc/34/66/64/1020346664.db2.gz LDPICAGGMXNENN-WKILWMFISA-N 0 0 371.460 2.969 20 10 FFCDRN CCC[C@]1(C2CC2)NC(=O)N(CN(C)Cc2ccc(N(C)C)cc2)C1=O ZINC000802724512 1020350004 /nfs/dbraw/zinc/35/00/04/1020350004.db2.gz SBLSZNPVNXTJQU-HXUWFJFHSA-N 0 0 358.486 2.643 20 10 FFCDRN Cc1cc(C(=O)CSc2nnnn2C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000828896832 1032894370 /nfs/dbraw/zinc/89/43/70/1032894370.db2.gz OPJASJRGSWQCGR-UHFFFAOYSA-N 0 0 372.429 2.925 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(c3cnn(C)c3)CC2)cc1 ZINC000074394163 1020436648 /nfs/dbraw/zinc/43/66/48/1020436648.db2.gz FDPNIOTYTCEXMN-UHFFFAOYSA-N 0 0 363.465 2.790 20 10 FFCDRN CC[C@H](C)[C@@H](C)NC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000726240478 1020440507 /nfs/dbraw/zinc/44/05/07/1020440507.db2.gz JLGQJWGGQKAXCO-DLBZAZTESA-N 0 0 362.518 2.551 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000726562521 1020485284 /nfs/dbraw/zinc/48/52/84/1020485284.db2.gz KXTFERBOKVBVAI-HXUWFJFHSA-N 0 0 368.433 2.620 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000726560841 1020485325 /nfs/dbraw/zinc/48/53/25/1020485325.db2.gz SDJBMLBCAAYCJP-FQEVSTJZSA-N 0 0 352.434 2.784 20 10 FFCDRN COCC[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726616125 1020495458 /nfs/dbraw/zinc/49/54/58/1020495458.db2.gz JXTIVHDOQQUYTL-ZDUSSCGKSA-N 0 0 371.428 2.981 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)OC[C@H]3CN(C)C(=O)O3)c2C)cc1 ZINC000802936323 1020509582 /nfs/dbraw/zinc/50/95/82/1020509582.db2.gz ZJCIFEPVUFNVGZ-MRXNPFEDSA-N 0 0 358.394 2.710 20 10 FFCDRN Cc1noc2ncc(S(=O)(=O)NCc3ccc(N4CCCC4)cc3)cc12 ZINC000726794740 1020526264 /nfs/dbraw/zinc/52/62/64/1020526264.db2.gz IOOHMFVTGIWQNG-UHFFFAOYSA-N 0 0 372.450 2.610 20 10 FFCDRN CN(Cc1cn(-c2ccccc2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000726844519 1020537893 /nfs/dbraw/zinc/53/78/93/1020537893.db2.gz REASRBIFLNUGCJ-UHFFFAOYSA-N 0 0 363.465 2.736 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(=O)c2ccc(F)cc2o1 ZINC000803089807 1020613409 /nfs/dbraw/zinc/61/34/09/1020613409.db2.gz JSGYBOLAZYKHCH-JTQLQIEISA-N 0 0 357.337 2.704 20 10 FFCDRN COCc1ccc([C@H]2COCCN2Cc2ccc(N3CCOCC3)cc2)o1 ZINC000932323910 1020773192 /nfs/dbraw/zinc/77/31/92/1020773192.db2.gz UJXTUMSPUJNXID-HXUWFJFHSA-N 0 0 372.465 2.836 20 10 FFCDRN CNC(=O)Cc1noc(CNc2cc3oc4ccccc4c3cc2OC)n1 ZINC000749257975 1020904219 /nfs/dbraw/zinc/90/42/19/1020904219.db2.gz MPVVQLAPBBYMFO-UHFFFAOYSA-N 0 0 366.377 2.878 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CCCC1 ZINC000749353421 1020947478 /nfs/dbraw/zinc/94/74/78/1020947478.db2.gz XWKBNRPTCQRULU-YJBOKZPZSA-N 0 0 357.498 2.831 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)CCO1 ZINC000749376477 1020959872 /nfs/dbraw/zinc/95/98/72/1020959872.db2.gz YHSSCZOYZRKQGV-IBGZPJMESA-N 0 0 370.449 2.725 20 10 FFCDRN Cc1cc(C(=O)CN(C)C[C@H]2CCOC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000749845629 1021053485 /nfs/dbraw/zinc/05/34/85/1021053485.db2.gz AGDLWXVLBBEQII-MRXNPFEDSA-N 0 0 370.449 2.974 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Nc3ccnn3[C@@H]3CCOC3)ccc21 ZINC000934139962 1021150019 /nfs/dbraw/zinc/15/00/19/1021150019.db2.gz UKLBCVLADOBRRZ-MRXNPFEDSA-N 0 0 355.442 2.549 20 10 FFCDRN COc1ccc(N2CCCN(CN3C(=O)[C@H]4CCCCC[C@@H]43)CC2)cc1 ZINC000749948079 1021158035 /nfs/dbraw/zinc/15/80/35/1021158035.db2.gz ZDISRITURCZTNO-PMACEKPBSA-N 0 0 357.498 2.956 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3c4ccccc4nn3C)CC2)cc1 ZINC001116638195 1021323573 /nfs/dbraw/zinc/32/35/73/1021323573.db2.gz MZYRIOONUHCNQH-UHFFFAOYSA-N 0 0 364.449 2.981 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCCC[C@@H]1C ZINC001116645733 1021329165 /nfs/dbraw/zinc/32/91/65/1021329165.db2.gz OLUXWGANCZCJTN-IMJJTQAJSA-N 0 0 363.454 2.905 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccnn1[C@@H]1CCCOC1 ZINC000934681490 1021342221 /nfs/dbraw/zinc/34/22/21/1021342221.db2.gz CQQLAKQGUWRYBI-OAHLLOKOSA-N 0 0 371.441 2.732 20 10 FFCDRN Cc1cc(C(=O)N2CCC3(CC(=O)N3)CC2)c(C)n1-c1cccc(C)c1 ZINC001116789518 1021415686 /nfs/dbraw/zinc/41/56/86/1021415686.db2.gz CFTIFZGVKVWROS-UHFFFAOYSA-N 0 0 351.450 2.897 20 10 FFCDRN COc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000145446644 1021445760 /nfs/dbraw/zinc/44/57/60/1021445760.db2.gz PSKAFYSFFHMLFT-INIZCTEOSA-N 0 0 354.450 2.952 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1ccnc2ccnn21 ZINC000934994669 1021513436 /nfs/dbraw/zinc/51/34/36/1021513436.db2.gz XBBMAOUENACPQF-UHFFFAOYSA-N 0 0 368.466 2.604 20 10 FFCDRN C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001116996309 1021521849 /nfs/dbraw/zinc/52/18/49/1021521849.db2.gz FBFPDNUYPCVXIQ-IUODEOHRSA-N 0 0 371.403 2.558 20 10 FFCDRN COc1cc(N2CCN(C(=O)c3occ(C)c3C)CC2)cc(OC)c1OC ZINC001117114227 1021574140 /nfs/dbraw/zinc/57/41/40/1021574140.db2.gz MCUNMPHDRFLCLJ-UHFFFAOYSA-N 0 0 374.437 2.885 20 10 FFCDRN Cc1noc2ncc(C(=O)N[C@@H](C)c3ccc(N4CCOCC4)cc3)cc12 ZINC000145652727 1021982319 /nfs/dbraw/zinc/98/23/19/1021982319.db2.gz KSZJOOFCZMPHJA-ZDUSSCGKSA-N 0 0 366.421 2.859 20 10 FFCDRN CCc1nc(C)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000778526982 1022067479 /nfs/dbraw/zinc/06/74/79/1022067479.db2.gz WKQWHPCRJUPHFZ-UHFFFAOYSA-N 0 0 372.494 2.869 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)C[C@H](OC)C(F)(F)F)CC2)cc1 ZINC001118244320 1022140176 /nfs/dbraw/zinc/14/01/76/1022140176.db2.gz QESRMVKBQTVYNS-HNNXBMFYSA-N 0 0 360.376 2.701 20 10 FFCDRN Cc1ccn(C)c(=O)c1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000155231540 1022229362 /nfs/dbraw/zinc/22/93/62/1022229362.db2.gz NZJWVOFFPAIDFK-UHFFFAOYSA-N 0 0 372.494 2.569 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)c1 ZINC000155992531 1022311559 /nfs/dbraw/zinc/31/15/59/1022311559.db2.gz FLZCDSOMLNBLHR-UHFFFAOYSA-N 0 0 359.397 2.905 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cnc(C)nc3C3CC3)C2)cc1 ZINC001118719041 1022365890 /nfs/dbraw/zinc/36/58/90/1022365890.db2.gz LBTWCYOCYJHJJV-OAHLLOKOSA-N 0 0 352.438 2.680 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cccc(Cn4cncn4)c3)ccc21 ZINC001118811792 1022419423 /nfs/dbraw/zinc/41/94/23/1022419423.db2.gz JXYFSWQHRYOOJD-UHFFFAOYSA-N 0 0 361.449 2.639 20 10 FFCDRN CNC(=O)[C@H]1CCCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC001118822581 1022425685 /nfs/dbraw/zinc/42/56/85/1022425685.db2.gz LVIGKUZXNWVNGQ-KRWDZBQOSA-N 0 0 367.449 2.505 20 10 FFCDRN CON(C)C(=O)[C@@H](C)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001118971197 1022496797 /nfs/dbraw/zinc/49/67/97/1022496797.db2.gz AXXAJZXTTPIDPS-CYBMUJFWSA-N 0 0 363.845 2.886 20 10 FFCDRN CC(C)c1c(C(=O)NCc2ccc(O)c(O)c2)cnn1-c1ccccn1 ZINC000778918674 1022524905 /nfs/dbraw/zinc/52/49/05/1022524905.db2.gz NTHCSRGUWOZNDL-UHFFFAOYSA-N 0 0 352.394 2.732 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCc4c[nH]nc4C3)cc2)CC1 ZINC000750813563 1022568097 /nfs/dbraw/zinc/56/80/97/1022568097.db2.gz PDCKIKDYKUOKLQ-UHFFFAOYSA-N 0 0 353.470 2.914 20 10 FFCDRN CC(C)[C@H](CO)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001222591182 1033062032 /nfs/dbraw/zinc/06/20/32/1033062032.db2.gz VGCNZGCTAUACHJ-BBRMVZONSA-N 0 0 371.428 2.573 20 10 FFCDRN 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FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccnc2c1ncn2C ZINC000839921972 1026867615 /nfs/dbraw/zinc/86/76/15/1026867615.db2.gz PHQIQTYKRTVQPI-CQSZACIVSA-N 0 0 351.454 2.704 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC(c2cccnc2)=NO1 ZINC000839921229 1026867648 /nfs/dbraw/zinc/86/76/48/1026867648.db2.gz ILQFQIYSFKXPHK-MGPUTAFESA-N 0 0 366.465 2.696 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@H]([C@H](C)O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839927747 1026869684 /nfs/dbraw/zinc/86/96/84/1026869684.db2.gz OOSAKWDGMMXOGZ-PXNSSMCTSA-N 0 0 356.466 2.933 20 10 FFCDRN CN(C)c1ccc(CN(C)Cn2nc3c(cc2=O)Cc2ccccc2-3)cc1 ZINC000839952172 1026879415 /nfs/dbraw/zinc/87/94/15/1026879415.db2.gz CGWLBRQROVMVIU-UHFFFAOYSA-N 0 0 360.461 2.970 20 10 FFCDRN COc1ccc2c(c1)CCCN2CN1CCN(Cc2cccnc2)C1=O ZINC000840032650 1026921246 /nfs/dbraw/zinc/92/12/46/1026921246.db2.gz PXXKIFZNMZSOBT-UHFFFAOYSA-N 0 0 352.438 2.738 20 10 FFCDRN CC(C)(C)OC(=O)N1CC2(C1)CN(Cc1cc3c(cc1O)CCC3)CCO2 ZINC000840079829 1026947448 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COC(=O)c1cc(Cl)c(NCCc2cc(O)c(O)cc2O)nc1C ZINC001157246624 1029520627 /nfs/dbraw/zinc/52/06/27/1029520627.db2.gz HBWOYRIDUUBOFO-UHFFFAOYSA-N 0 0 352.774 2.601 20 10 FFCDRN C[C@H]1COc2ccccc2CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000782523896 1029732040 /nfs/dbraw/zinc/73/20/40/1029732040.db2.gz HGQYTDWXPBMSHH-KRWDZBQOSA-N 0 0 367.493 2.994 20 10 FFCDRN C[C@@H](NC(=O)N1C[C@@H](C)O[C@H](C)[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000782559954 1029745444 /nfs/dbraw/zinc/74/54/44/1029745444.db2.gz CHWQFWBVUSPUPV-WCXIOVBPSA-N 0 0 361.486 2.792 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](CO)C2CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000782741336 1029803792 /nfs/dbraw/zinc/80/37/92/1029803792.db2.gz KSSGBVXHPURUMA-IBGZPJMESA-N 0 0 360.429 2.751 20 10 FFCDRN O=C1NCCc2c(NCc3ccc(N4CCOCC4)c(F)c3)cccc21 ZINC000840974164 1029954572 /nfs/dbraw/zinc/95/45/72/1029954572.db2.gz YREYBJWXZUCUSL-UHFFFAOYSA-N 0 0 355.413 2.560 20 10 FFCDRN Cc1cc(O)c(C[NH2+][C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1C ZINC000840998059 1029967896 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Cc1cc(N2CCOCC2)ccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841037547 1029993468 /nfs/dbraw/zinc/99/34/68/1029993468.db2.gz VHICIKDVXCSNAR-UHFFFAOYSA-N 0 0 354.454 2.778 20 10 FFCDRN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841055126 1030008279 /nfs/dbraw/zinc/00/82/79/1030008279.db2.gz QVHCTSKZPRLLJG-VQIMIIECSA-N 0 0 367.449 2.800 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N[C@H]2CCCc3cn(C4CCCC4)nc32)cc1 ZINC000841114391 1030049327 /nfs/dbraw/zinc/04/93/27/1030049327.db2.gz KAMHBKNAOFHBEL-KRWDZBQOSA-N 0 0 367.453 2.713 20 10 FFCDRN COc1ccc(C2=NO[C@H](CNC(=O)Nc3ccc(N)cc3)C2)cc1C ZINC000841298401 1030168051 /nfs/dbraw/zinc/16/80/51/1030168051.db2.gz CJUXWYZRUDCRRJ-INIZCTEOSA-N 0 0 354.410 2.901 20 10 FFCDRN CCN(CC)[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccccc1 ZINC000783584543 1030168310 /nfs/dbraw/zinc/16/83/10/1030168310.db2.gz AGQIHXKHALQVSC-LJQANCHMSA-N 0 0 357.406 2.907 20 10 FFCDRN Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccc(N)cc3)C2)n1 ZINC000841301443 1030171696 /nfs/dbraw/zinc/17/16/96/1030171696.db2.gz PLIFZJAJCDFROA-CQSZACIVSA-N 0 0 353.426 2.855 20 10 FFCDRN C[C@H]1CN(Cc2cccc(CNC(=O)Nc3ccc(N)cc3)c2)CCO1 ZINC000841301329 1030172218 /nfs/dbraw/zinc/17/22/18/1030172218.db2.gz LFFOTUOYPGQVKU-HNNXBMFYSA-N 0 0 354.454 2.811 20 10 FFCDRN COc1ccc(C)cc1CN1CCN(C(=O)Nc2ccc(N)cc2)CC1 ZINC000841302139 1030172427 /nfs/dbraw/zinc/17/24/27/1030172427.db2.gz MWTLTOYHUXQZGY-UHFFFAOYSA-N 0 0 354.454 2.936 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1COCC[C@@H]1c1ccccc1 ZINC000841414872 1030273797 /nfs/dbraw/zinc/27/37/97/1030273797.db2.gz CAWOAIVJEZTIEJ-BMGDILEWSA-N 0 0 355.434 2.965 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1NC(=O)O[C@H]1C ZINC000841418183 1030275652 /nfs/dbraw/zinc/27/56/52/1030275652.db2.gz YHSVEIPEANHUKN-QWQRMKEZSA-N 0 0 354.406 2.979 20 10 FFCDRN Cc1ccncc1/C=C\C(=O)N(CCN1CCOCC1)c1ccccc1 ZINC000783940540 1030351224 /nfs/dbraw/zinc/35/12/24/1030351224.db2.gz ADWCXYQVIAZSTP-FPLPWBNLSA-N 0 0 351.450 2.769 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000841674455 1030394755 /nfs/dbraw/zinc/39/47/55/1030394755.db2.gz JRDHMHSZAAIIOE-AWEZNQCLSA-N 0 0 356.474 2.670 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCNC[C@H]2c2cccnc2)cc1 ZINC000841717993 1030427045 /nfs/dbraw/zinc/42/70/45/1030427045.db2.gz PFMFTJIEMMZMAH-FQEVSTJZSA-N 0 0 367.497 2.784 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(N(C)C(C)=O)nc2)c1 ZINC000841820118 1030486051 /nfs/dbraw/zinc/48/60/51/1030486051.db2.gz NDZUVIVYPNKVEA-LLVKDONJSA-N 0 0 358.398 2.661 20 10 FFCDRN Cc1cc(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)ccc1C(=O)[O-] ZINC000841823288 1030488565 /nfs/dbraw/zinc/48/85/65/1030488565.db2.gz WQWYKAMNQGYOOD-UHFFFAOYSA-N 0 0 358.413 2.959 20 10 FFCDRN CC[C@@H](NC(=O)NCCc1ccc(N)cc1)c1nnc2n1CCCCC2 ZINC000841851166 1030502037 /nfs/dbraw/zinc/50/20/37/1030502037.db2.gz LESGCKCCSOZHPS-MRXNPFEDSA-N 0 0 356.474 2.580 20 10 FFCDRN COc1cc(OC)cc(OCCCNC(=O)NCCc2ccc(N)cc2)c1 ZINC000841853631 1030502337 /nfs/dbraw/zinc/50/23/37/1030502337.db2.gz FGAGKKNOLNPPSC-UHFFFAOYSA-N 0 0 373.453 2.597 20 10 FFCDRN Cc1ccc(CNC(=O)NCCc2ccc(N)cc2)c(O[C@@H]2CCOC2)c1 ZINC000841859733 1030505291 /nfs/dbraw/zinc/50/52/91/1030505291.db2.gz JGZKCQHCOOFAMR-LJQANCHMSA-N 0 0 369.465 2.787 20 10 FFCDRN COc1ccc(OC)c(CCCNC(=O)NCCc2ccc(N)cc2)c1 ZINC000841866364 1030509575 /nfs/dbraw/zinc/50/95/75/1030509575.db2.gz COXCYIGJEBCAGU-UHFFFAOYSA-N 0 0 357.454 2.761 20 10 FFCDRN CC(C)Cn1ncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1C(F)F ZINC000784406236 1030606698 /nfs/dbraw/zinc/60/66/98/1030606698.db2.gz RMJFPRRRDLWOEI-UHFFFAOYSA-N 0 0 368.336 2.928 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N2CCC[C@@H](c3ccccc3)CC2)cc1 ZINC000842238492 1030653681 /nfs/dbraw/zinc/65/36/81/1030653681.db2.gz RLBMDYHZQSBCJR-LJQANCHMSA-N 0 0 365.477 2.724 20 10 FFCDRN C[C@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CC[C@@H]1c1ccccc1 ZINC000842241458 1030653712 /nfs/dbraw/zinc/65/37/12/1030653712.db2.gz BTBQHWJWHJZEJZ-JXFKEZNVSA-N 0 0 365.477 2.580 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@H](c2cccc(O)c2)C1=O ZINC000842264533 1030664679 /nfs/dbraw/zinc/66/46/79/1030664679.db2.gz KBAXNFIIWFFBFT-IFXJQAMLSA-N 0 0 367.449 2.991 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)OC[C@@]3(C)CCC(=O)NC3)ccc21 ZINC000842420628 1030718110 /nfs/dbraw/zinc/71/81/10/1030718110.db2.gz OUGQHZJHCKKUEV-NRFANRHFSA-N 0 0 372.465 2.978 20 10 FFCDRN CC(C)C[C@H](CNC(=O)Cc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC001142687553 1030725443 /nfs/dbraw/zinc/72/54/43/1030725443.db2.gz PXROGMORBJLLRV-CQSZACIVSA-N 0 0 351.443 2.761 20 10 FFCDRN COC[C@H]1CN(Cc2cc(Br)ccc2O)Cc2cn(C)nc21 ZINC001203639882 1030802420 /nfs/dbraw/zinc/80/24/20/1030802420.db2.gz LMHURKICSQXNPJ-CYBMUJFWSA-N 0 0 366.259 2.634 20 10 FFCDRN CC[NH+](CC)C[C@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC001203648912 1030805100 /nfs/dbraw/zinc/80/51/00/1030805100.db2.gz ZJZLEOKDNMBGIU-HNNXBMFYSA-N 0 0 357.292 2.697 20 10 FFCDRN COc1ccc(O)c(CN2Cc3ncn(C)c3[C@H](COCC(C)C)C2)c1 ZINC001203671238 1030816297 /nfs/dbraw/zinc/81/62/97/1030816297.db2.gz LMKJXDSGTODPAB-INIZCTEOSA-N 0 0 359.470 2.906 20 10 FFCDRN COC1CCN(c2ccc(Cn3cc([N+](=O)[O-])cc(F)c3=O)cc2)CC1 ZINC000842637112 1030864344 /nfs/dbraw/zinc/86/43/44/1030864344.db2.gz RXDLPSPPISVVJO-UHFFFAOYSA-N 0 0 361.373 2.559 20 10 FFCDRN CCOC[C@@H]1CN(Cc2ccc(O)c(O)c2)Cc2ncn(CC3CC3)c21 ZINC001203877776 1030952826 /nfs/dbraw/zinc/95/28/26/1030952826.db2.gz JGKFEKQGYUDFCZ-INIZCTEOSA-N 0 0 357.454 2.840 20 10 FFCDRN CCOc1cccc(CN[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c1O ZINC000842776355 1030953981 /nfs/dbraw/zinc/95/39/81/1030953981.db2.gz YWQPUYYSFJKJJZ-MRXNPFEDSA-N 0 0 361.442 2.697 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(O)c(O)c2)CC1(F)F ZINC001203882623 1030956782 /nfs/dbraw/zinc/95/67/82/1030956782.db2.gz OECJUHZVLMFWFP-AWEZNQCLSA-N 0 0 358.385 2.832 20 10 FFCDRN COCCNC(=O)c1cccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)c1 ZINC000797037553 1030984232 /nfs/dbraw/zinc/98/42/32/1030984232.db2.gz UTHWTBBPQHRARR-ZDUSSCGKSA-N 0 0 372.421 2.728 20 10 FFCDRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1Cc1ccc(N(C)C)cc1 ZINC001203932239 1030992275 /nfs/dbraw/zinc/99/22/75/1030992275.db2.gz WZKMUHSNWFXBJV-FQEVSTJZSA-N 0 0 369.513 2.766 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3cc(C4CC4)n(C)n3)C2)cc1 ZINC000842878023 1031011435 /nfs/dbraw/zinc/01/14/35/1031011435.db2.gz GAUBIBYUEHAMFP-AWEZNQCLSA-N 0 0 355.438 2.989 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)CCCn3ccccc3=O)C2)cc1 ZINC000842880033 1031013347 /nfs/dbraw/zinc/01/33/47/1031013347.db2.gz VQIPZYZSWHDCNQ-KRWDZBQOSA-N 0 0 370.449 2.707 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000797617456 1031164642 /nfs/dbraw/zinc/16/46/42/1031164642.db2.gz DPTVQSWHWYFMGC-CQSZACIVSA-N 0 0 371.437 2.687 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc3oc(N(C)C)nc3c2)c(O)c1 ZINC000797635430 1031170154 /nfs/dbraw/zinc/17/01/54/1031170154.db2.gz PHNJYZHZOSZHBV-UHFFFAOYSA-N 0 0 356.382 2.930 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2ccc(=O)n(C)c2c1 ZINC000797650061 1031175266 /nfs/dbraw/zinc/17/52/66/1031175266.db2.gz BELPMXPTUCQCKY-LBPRGKRZSA-N 0 0 367.405 2.702 20 10 FFCDRN CCOc1cccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000797802320 1031217575 /nfs/dbraw/zinc/21/75/75/1031217575.db2.gz ICPQGJVWRPOHHS-UHFFFAOYSA-N 0 0 369.465 2.518 20 10 FFCDRN COc1cc(Br)cc(CN2C[C@@H]3OCC(F)(F)[C@@H]3C2)c1O ZINC001204338928 1031234490 /nfs/dbraw/zinc/23/44/90/1031234490.db2.gz ZUIGUOCBLPNPEV-PWSUYJOCSA-N 0 0 364.186 2.629 20 10 FFCDRN COc1cc(CN2CCN(c3cccc(Cl)c3)C(=O)C2)cc(O)c1O ZINC001204346477 1031242352 /nfs/dbraw/zinc/24/23/52/1031242352.db2.gz RABAWABHMWFTQK-UHFFFAOYSA-N 0 0 362.813 2.609 20 10 FFCDRN COc1cc(CN2Cc3cc(Br)cnc3C2)cc(O)c1O ZINC001204346481 1031242397 /nfs/dbraw/zinc/24/23/97/1031242397.db2.gz RIVFJYJLGHPKIZ-UHFFFAOYSA-N 0 0 351.200 2.780 20 10 FFCDRN COc1cc(CN2C[C@H]3CN(C(=O)OC(C)(C)C)CC[C@@H]32)cc(O)c1O ZINC001204347315 1031242541 /nfs/dbraw/zinc/24/25/41/1031242541.db2.gz QADLENTWPDATDN-KGLIPLIRSA-N 0 0 364.442 2.548 20 10 FFCDRN COc1cc(CN2CCC3(CN(C(=O)OC(C)(C)C)C3)C2)cc(O)c1O ZINC001204346139 1031242961 /nfs/dbraw/zinc/24/29/61/1031242961.db2.gz FCWVFUGPJXLEPE-UHFFFAOYSA-N 0 0 364.442 2.549 20 10 FFCDRN CCOc1ccc(N2CCN(Cc3cc(O)c(O)c(OC)c3)CC2)cc1 ZINC001204351425 1031248430 /nfs/dbraw/zinc/24/84/30/1031248430.db2.gz QZROCFCPZPIJEL-UHFFFAOYSA-N 0 0 358.438 2.827 20 10 FFCDRN COCCOc1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1 ZINC001204799906 1031443988 /nfs/dbraw/zinc/44/39/88/1031443988.db2.gz KROULPHBIHSLPY-UHFFFAOYSA-N 0 0 366.465 2.910 20 10 FFCDRN C[C@@H]1[C@H](NC(=O)N(C)Cc2ccccc2O)CC(=O)N1Cc1ccccc1 ZINC000798534007 1031450941 /nfs/dbraw/zinc/45/09/41/1031450941.db2.gz VURHIPDAJOJVHC-CRAIPNDOSA-N 0 0 367.449 2.723 20 10 FFCDRN Cc1c(NC(=O)NCc2c(O)cccc2F)nnn1Cc1ccccc1F ZINC001205146642 1031552019 /nfs/dbraw/zinc/55/20/19/1031552019.db2.gz DJBHFNGVYYLRLF-UHFFFAOYSA-N 0 0 373.363 2.940 20 10 FFCDRN CCn1cc(C(=O)N2CCc3cccc(O)c3C2)c(=O)c2ccc(C)nc21 ZINC001149693228 1031571534 /nfs/dbraw/zinc/57/15/34/1031571534.db2.gz HIKXQXRTLNQANX-UHFFFAOYSA-N 0 0 363.417 2.629 20 10 FFCDRN CC1=C(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@@H](C)n2ncnc2N1C ZINC000798994652 1031607974 /nfs/dbraw/zinc/60/79/74/1031607974.db2.gz QTRLUKXOZMOOES-TZMCWYRMSA-N 0 0 354.458 2.506 20 10 FFCDRN Cn1nc(C(=O)NCCc2ccc(O)c(O)c2)cc1-c1ccc(F)cc1 ZINC001150488559 1031726410 /nfs/dbraw/zinc/72/64/10/1031726410.db2.gz RUKKRCPRRNQFEA-UHFFFAOYSA-N 0 0 355.369 2.610 20 10 FFCDRN CCOC(=O)[C@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC001150542482 1031736810 /nfs/dbraw/zinc/73/68/10/1031736810.db2.gz AREZGRLNLPHBRP-UGSOOPFHSA-N 0 0 357.406 2.925 20 10 FFCDRN [NH3+]C[C@@H]1CN(Cc2c([O-])cc(Br)cc2F)CCC1(F)F ZINC001205787367 1031992663 /nfs/dbraw/zinc/99/26/63/1031992663.db2.gz GEOOPHQXZKAJMD-MRVPVSSYSA-N 0 0 353.182 2.710 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c(C4CCC4)cnn3C)CC2)cc1F ZINC000829869132 1033372558 /nfs/dbraw/zinc/37/25/58/1033372558.db2.gz IXXVOUDIOJXYRL-UHFFFAOYSA-N 0 0 372.444 2.798 20 10 FFCDRN 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10 FFCDRN COc1cc(I)cc(CN2CCC(F)(F)C2)c1O ZINC001248386027 1040250962 /nfs/dbraw/zinc/25/09/62/1040250962.db2.gz GAJRMYUBLAOOMN-UHFFFAOYSA-N 0 0 369.149 2.846 20 10 FFCDRN Cc1ccc(O)c(CNS(=O)(=O)N(C)Cc2c(F)cccc2Cl)c1 ZINC001213165319 1040297905 /nfs/dbraw/zinc/29/79/05/1040297905.db2.gz SCULZFCAKASLGJ-UHFFFAOYSA-N 0 0 372.849 2.960 20 10 FFCDRN COc1ccc(CN2CC(C(F)F)C2)c(O)c1I ZINC001248501728 1040304506 /nfs/dbraw/zinc/30/45/06/1040304506.db2.gz RVHGGJYVADWYLI-UHFFFAOYSA-N 0 0 369.149 2.702 20 10 FFCDRN O=S(=O)(Cc1cccc(C(F)(F)F)c1)NCc1ccc(O)cc1O ZINC001260034943 1040367129 /nfs/dbraw/zinc/36/71/29/1040367129.db2.gz UNBHKIPDRCADHV-UHFFFAOYSA-N 0 0 361.341 2.736 20 10 FFCDRN CCOc1ccc(N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)cc1 ZINC001253825852 1040391811 /nfs/dbraw/zinc/39/18/11/1040391811.db2.gz RIKBIWFFKCOAKN-UHFFFAOYSA-N 0 0 367.409 2.968 20 10 FFCDRN CCS(=O)(=O)N1CCN(Cc2cc(Cl)c(C(C)(C)C)cc2O)CC1 ZINC001248885149 1040493660 /nfs/dbraw/zinc/49/36/60/1040493660.db2.gz LIOXHXMBMTXFKG-UHFFFAOYSA-N 0 0 374.934 2.810 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cc(OC)ccc3O)CC2)cc1 ZINC001254033666 1040536154 /nfs/dbraw/zinc/53/61/54/1040536154.db2.gz SUGMLCFHHBZWJY-UHFFFAOYSA-N 0 0 356.422 2.762 20 10 FFCDRN Cc1cc(C)c(C)c(S(=O)(=O)NCCc2cc(O)c(O)cc2O)c1C ZINC001254172219 1040595502 /nfs/dbraw/zinc/59/55/02/1040595502.db2.gz XLJGUKKYUDBXSJ-UHFFFAOYSA-N 0 0 365.451 2.558 20 10 FFCDRN COC(=O)c1cn2c(n1)CN(Cc1ccc3c(c1O)C=CC(C)(C)O3)CC2 ZINC001249258884 1040654990 /nfs/dbraw/zinc/65/49/90/1040654990.db2.gz NKTJUFMSWKNTNT-UHFFFAOYSA-N 0 0 369.421 2.575 20 10 FFCDRN CC[C@H](C)S(=O)(=O)Nc1ccc(O)c(I)c1 ZINC001260738187 1040760239 /nfs/dbraw/zinc/76/02/39/1040760239.db2.gz JNEYCAFLCBCVTF-ZETCQYMHSA-N 0 0 355.197 2.537 20 10 FFCDRN CCOc1ccc(N2CCN(Cc3ncc(C(=O)OC)s3)CC2)cc1 ZINC001249466116 1040784080 /nfs/dbraw/zinc/78/40/80/1040784080.db2.gz GSYJVXHERNAKNC-UHFFFAOYSA-N 0 0 361.467 2.651 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1c[nH]c(=O)c(C(F)(F)F)c1 ZINC001299724613 1040901222 /nfs/dbraw/zinc/90/12/22/1040901222.db2.gz GAAZDLXBDUZMDY-UHFFFAOYSA-N 0 0 363.295 2.990 20 10 FFCDRN Cc1cccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC001260994764 1040916510 /nfs/dbraw/zinc/91/65/10/1040916510.db2.gz SDBZBWZXDTUDFY-UHFFFAOYSA-N 0 0 374.506 2.961 20 10 FFCDRN CC(C)[C@@H](C)N(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC001261089849 1040997488 /nfs/dbraw/zinc/99/74/88/1040997488.db2.gz ZUUZTPRDDJSYSR-MRXNPFEDSA-N 0 0 355.482 2.715 20 10 FFCDRN CN1CCN(c2ccc(CN3C[C@H](CO)Cc4ccccc43)cc2F)CC1 ZINC001261224833 1041083701 /nfs/dbraw/zinc/08/37/01/1041083701.db2.gz CYCNRVKHPVRLSO-GOSISDBHSA-N 0 0 369.484 2.749 20 10 FFCDRN CCOc1cc(CN2CCN(c3ccc(OC)cc3OC)CC2)ccn1 ZINC001250014558 1041099362 /nfs/dbraw/zinc/09/93/62/1041099362.db2.gz WYDHVRPNHIQKLB-UHFFFAOYSA-N 0 0 357.454 2.820 20 10 FFCDRN CCOC(=O)[C@@H]1CSCCN1Cc1cc(C)c(Br)cc1O ZINC001250134150 1041126126 /nfs/dbraw/zinc/12/61/26/1041126126.db2.gz WUJYCFSPPHBYQU-ZDUSSCGKSA-N 0 0 374.300 2.944 20 10 FFCDRN O=C(CCc1ccc[nH]1)N1CCC12CN(Cc1ccc(Cl)cc1O)C2 ZINC001278554399 1041131557 /nfs/dbraw/zinc/13/15/57/1041131557.db2.gz TWSCNZZTVITVOQ-UHFFFAOYSA-N 0 0 359.857 2.793 20 10 FFCDRN CN(c1ccc(CO)c(F)c1Cl)S(=O)(=O)CCc1ccc(N)cc1 ZINC001250297832 1041159572 /nfs/dbraw/zinc/15/95/72/1041159572.db2.gz HDXXNYMEROLHQG-UHFFFAOYSA-N 0 0 372.849 2.562 20 10 FFCDRN CC(C)Oc1ccc([C@@H](C)NC(=O)C(=O)NCCc2ccc(N)cc2)cc1 ZINC001261379068 1041200316 /nfs/dbraw/zinc/20/03/16/1041200316.db2.gz RBPCLHDHQKFCGA-OAHLLOKOSA-N 0 0 369.465 2.592 20 10 FFCDRN COCOc1ccc(C)c(N(C)S(=O)(=O)CCc2ccc(N)cc2)c1 ZINC001214366136 1041397830 /nfs/dbraw/zinc/39/78/30/1041397830.db2.gz NBPHVCMDFFCQDX-UHFFFAOYSA-N 0 0 364.467 2.569 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCc2cn[nH]c2)ccc1C ZINC001261820793 1041435525 /nfs/dbraw/zinc/43/55/25/1041435525.db2.gz JYPFYHPIJPGHLX-UHFFFAOYSA-N 0 0 350.422 2.911 20 10 FFCDRN CCOC(=O)c1snnc1-c1nc(-c2ccc(F)c(F)c2OC)no1 ZINC001214861788 1041598614 /nfs/dbraw/zinc/59/86/14/1041598614.db2.gz NTIYJWGGXRXERQ-UHFFFAOYSA-N 0 0 368.321 2.719 20 10 FFCDRN CCOC(=O)c1snnc1-c1nc(-c2ncccc2C(F)(F)F)no1 ZINC001214861849 1041598754 /nfs/dbraw/zinc/59/87/54/1041598754.db2.gz QUXHCYIUGRXVBF-UHFFFAOYSA-N 0 0 371.300 2.846 20 10 FFCDRN CN(CC1CN(S(C)(=O)=O)C1)c1ccc(OCc2ccccc2)cc1 ZINC001262271237 1041625926 /nfs/dbraw/zinc/62/59/26/1041625926.db2.gz QVAYCDVONGQLSP-UHFFFAOYSA-N 0 0 360.479 2.593 20 10 FFCDRN CC1=C(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1C(C)C ZINC001262480839 1041699374 /nfs/dbraw/zinc/69/93/74/1041699374.db2.gz XPVUIGAABYHQIO-UHFFFAOYSA-N 0 0 361.461 2.667 20 10 FFCDRN CC[C@H](C)[C@H](NC(=O)C(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC001262776540 1041849785 /nfs/dbraw/zinc/84/97/85/1041849785.db2.gz HCKJZQLVLKPZPU-UFBFGSQYSA-N 0 0 366.767 2.755 20 10 FFCDRN C[C@H]1CCCN(C(=O)CCNC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001263289205 1042223477 /nfs/dbraw/zinc/22/34/77/1042223477.db2.gz VVTAYDSPINABTR-INIZCTEOSA-N 0 0 372.513 2.517 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@]2([C@@H]3CCCCO3)CCCO2)cc1F ZINC001263717857 1042449463 /nfs/dbraw/zinc/44/94/63/1042449463.db2.gz SWGBYJLJKRLGDO-HKUYNNGSSA-N 0 0 350.434 2.626 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cn(C2CCOCC2)nn1 ZINC001264286993 1042661371 /nfs/dbraw/zinc/66/13/71/1042661371.db2.gz GHZVNKNKMYQZOX-UHFFFAOYSA-N 0 0 369.469 2.502 20 10 FFCDRN CCCNC(=S)N1CCC[C@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001279126497 1042910159 /nfs/dbraw/zinc/91/01/59/1042910159.db2.gz RFKOWBBYRZYKRJ-HXUWFJFHSA-N 0 0 374.554 2.604 20 10 FFCDRN O=S1(=O)CCN(c2ccc(CN3CCC[C@H]3c3ccncc3)cc2)CC1 ZINC001237204271 1043052078 /nfs/dbraw/zinc/05/20/78/1043052078.db2.gz AAQHJZNVHNOCPO-FQEVSTJZSA-N 0 0 371.506 2.654 20 10 FFCDRN COCCCN1C[C@]2(CC1=O)CCCCN2c1ccc(OC)c(F)c1 ZINC001278075261 1043082560 /nfs/dbraw/zinc/08/25/60/1043082560.db2.gz MFBKNFZFCJHERG-LJQANCHMSA-N 0 0 350.434 2.832 20 10 FFCDRN O=C([O-])c1ccc(O)c(C[NH+]2CCC3(CC2)NCCc2ccccc23)c1 ZINC001237288292 1043095066 /nfs/dbraw/zinc/09/50/66/1043095066.db2.gz FJTLHWFWRXPRNE-UHFFFAOYSA-N 0 0 352.434 2.727 20 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1043303793 /nfs/dbraw/zinc/30/37/93/1043303793.db2.gz DNWLAMCIBDHRPK-KRWDZBQOSA-N 0 0 357.406 2.509 20 10 FFCDRN Cc1cc(Cl)cc(CN2CCn3c(COC(C)C)nnc3C2)c1O ZINC001237679016 1043307219 /nfs/dbraw/zinc/30/72/19/1043307219.db2.gz DXJJBZZYSMQQNF-UHFFFAOYSA-N 0 0 350.850 2.886 20 10 FFCDRN COc1cc(CN2CCO[C@H](COc3ccccc3)C2)c(O)c(OC)c1 ZINC001237679070 1043307626 /nfs/dbraw/zinc/30/76/26/1043307626.db2.gz TUHXPVFTTHTOGS-SFHVURJKSA-N 0 0 359.422 2.689 20 10 FFCDRN Cc1cc(O)c(CN2CCOC3(CCOCC3)C2)cc1Br ZINC001237680188 1043307949 /nfs/dbraw/zinc/30/79/49/1043307949.db2.gz AKYOBPOWTLXPAM-UHFFFAOYSA-N 0 0 356.260 2.845 20 10 FFCDRN CCOC(=O)N1CCN(Cc2cc(Br)c(C)cc2O)CC1 ZINC001237682286 1043308732 /nfs/dbraw/zinc/30/87/32/1043308732.db2.gz PVAMKBXMRHIUSX-UHFFFAOYSA-N 0 0 357.248 2.737 20 10 FFCDRN O=C(c1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001237701767 1043319319 /nfs/dbraw/zinc/31/93/19/1043319319.db2.gz UGNXMVTWYWWDDD-CQSZACIVSA-N 0 0 364.854 2.675 20 10 FFCDRN COC[C@H]1CCCC[N@@H+]1Cc1cccc(I)c1[O-] ZINC001237776754 1043350752 /nfs/dbraw/zinc/35/07/52/1043350752.db2.gz LBIJELHRFIVKKL-GFCCVEGCSA-N 0 0 361.223 2.998 20 10 FFCDRN CO[C@@H]1CCC[N@H+](Cc2cccc(I)c2[O-])CC1 ZINC001237778755 1043354569 /nfs/dbraw/zinc/35/45/69/1043354569.db2.gz BANUCASSROCIDR-GFCCVEGCSA-N 0 0 361.223 2.998 20 10 FFCDRN [O-]c1c(I)cccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC001237783778 1043356755 /nfs/dbraw/zinc/35/67/55/1043356755.db2.gz OANZAUKEUXRBIO-OAHLLOKOSA-N 0 0 373.234 2.999 20 10 FFCDRN O=C([N-]C1CC[NH+](Cc2cc(F)cc(Cl)c2[O-])CC1)C(F)(F)F ZINC001237798684 1043366590 /nfs/dbraw/zinc/36/65/90/1043366590.db2.gz KYOGWUORKZSIPH-UHFFFAOYSA-N 0 0 354.731 2.828 20 10 FFCDRN NC(=O)[C@@H]1CC12CN(C(=O)c1ccccc1NN=C1C=CC(=O)C=C1)C2 ZINC001279663365 1043423962 /nfs/dbraw/zinc/42/39/62/1043423962.db2.gz NFEGIDFSRGGMTD-SKAIHHOBSA-N 0 0 350.378 2.755 20 10 FFCDRN Oc1cc(Cl)c(F)cc1CN1CCn2c(Br)nnc2C1 ZINC001237937215 1043443779 /nfs/dbraw/zinc/44/37/79/1043443779.db2.gz OIJZZOLDRRTVQD-UHFFFAOYSA-N 0 0 361.602 2.555 20 10 FFCDRN COc1cc(C)nc(N2CCN(Cc3cc(F)c(Cl)cc3O)CC2)n1 ZINC001237940458 1043446722 /nfs/dbraw/zinc/44/67/22/1043446722.db2.gz LLINORYBUNOHRJ-UHFFFAOYSA-N 0 0 366.824 2.614 20 10 FFCDRN CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c(O)cccc1OC(F)(F)F ZINC001279680788 1043457837 /nfs/dbraw/zinc/45/78/37/1043457837.db2.gz JFYFDHPCKMPMIK-TXEJJXNPSA-N 0 0 373.375 2.667 20 10 FFCDRN Cc1cnn(C)c1S(=O)(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001309752272 1043509074 /nfs/dbraw/zinc/50/90/74/1043509074.db2.gz RRNFFNJVPHOJRR-UHFFFAOYSA-N 0 0 372.494 2.923 20 10 FFCDRN COc1ccc(N2CC3(CCN3C(=O)NC(=O)c3ccccc3)C2)cc1 ZINC001279732112 1043547473 /nfs/dbraw/zinc/54/74/73/1043547473.db2.gz WBSZBLXSNOAOIR-UHFFFAOYSA-N 0 0 351.406 2.510 20 10 FFCDRN CCN(CC)c1ccc(CN2CC[C@H]3C[C@]32C(=O)NCC(F)F)cc1 ZINC001279744195 1043574265 /nfs/dbraw/zinc/57/42/65/1043574265.db2.gz RSMFGQRNOFCVPU-HNAYVOBHSA-N 0 0 351.441 2.879 20 10 FFCDRN CC(C)(C)NC(=O)c1ccc2c(n1)CCN(Cc1ccc(O)cc1O)C2 ZINC001279845572 1043764363 /nfs/dbraw/zinc/76/43/63/1043764363.db2.gz MELYNINPUIWMER-UHFFFAOYSA-N 0 0 355.438 2.579 20 10 FFCDRN CN(C(=O)c1n[nH]c2c1CN(Cc1ccccc1O)C2)C1CC(F)(F)C1 ZINC001279971179 1044008145 /nfs/dbraw/zinc/00/81/45/1044008145.db2.gz SDUJRHMDQKZJKU-UHFFFAOYSA-N 0 0 362.380 2.501 20 10 FFCDRN CN(C)c1ccc(CN2CC[C@H]3C[C@]32C(=O)Nc2nccn2C)c(Cl)c1 ZINC001280042548 1044126178 /nfs/dbraw/zinc/12/61/78/1044126178.db2.gz FTAFCOFMKPJEBO-IFXJQAMLSA-N 0 0 373.888 2.743 20 10 FFCDRN C[C@H](NC(=O)NC[C@@H](O)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC001312535287 1044132564 /nfs/dbraw/zinc/13/25/64/1044132564.db2.gz JPLDUGQKRYUYEE-LIRRHRJNSA-N 0 0 359.445 2.856 20 10 FFCDRN Cc1ccc(CN2Cc3ccnn3CC[C@H]2C(=O)NC(C)(C)C)c(O)c1 ZINC001280046015 1044133104 /nfs/dbraw/zinc/13/31/04/1044133104.db2.gz FODGNZWARGBNGL-KRWDZBQOSA-N 0 0 356.470 2.586 20 10 FFCDRN Cc1ccc(CN2CC3(C2)CC[C@@H](C(=O)N2CCCC24CC4)O3)c(O)c1 ZINC001280047129 1044134556 /nfs/dbraw/zinc/13/45/56/1044134556.db2.gz YUVOREXBSQMHFR-SFHVURJKSA-N 0 0 356.466 2.589 20 10 FFCDRN NC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC001280110575 1044225579 /nfs/dbraw/zinc/22/55/79/1044225579.db2.gz ZBNPJEGHLCXVGB-NSHDSACASA-N 0 0 373.678 2.896 20 10 FFCDRN COCC[C@H](CO)NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001313133756 1044245816 /nfs/dbraw/zinc/24/58/16/1044245816.db2.gz WIHWAZCVSLKKRY-GOSISDBHSA-N 0 0 359.470 2.599 20 10 FFCDRN COC(=O)CC1(CNC(=O)NCc2cccc(Cl)c2O)CCCC1 ZINC001313375047 1044337347 /nfs/dbraw/zinc/33/73/47/1044337347.db2.gz PWRTWJHVMJEVGQ-UHFFFAOYSA-N 0 0 354.834 2.968 20 10 FFCDRN CCN(C)c1nnc(CC(C)C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001313569503 1044387528 /nfs/dbraw/zinc/38/75/28/1044387528.db2.gz REUMLHOYZPKOAG-UHFFFAOYSA-N 0 0 357.502 2.818 20 10 FFCDRN O=c1cc(-c2ccc(N3CCOCC3)nc2)ccn1Cc1ccc(F)cc1 ZINC001240997951 1044473906 /nfs/dbraw/zinc/47/39/06/1044473906.db2.gz RQSFBCGVXAPZMP-UHFFFAOYSA-N 0 0 365.408 2.934 20 10 FFCDRN CCN(C(=O)C[C@@H]1C[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@@H]2O1)C(C)C ZINC001280293912 1044563527 /nfs/dbraw/zinc/56/35/27/1044563527.db2.gz PLWVLASDMQBOJE-AYBZRNKSSA-N 0 0 364.461 2.768 20 10 FFCDRN COC[C@@H](C)Cn1c(-c2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001315774696 1044667492 /nfs/dbraw/zinc/66/74/92/1044667492.db2.gz BEXWPKUIQNISKF-HNNXBMFYSA-N 0 0 367.453 2.965 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)cc1 ZINC001319379819 1045130698 /nfs/dbraw/zinc/13/06/98/1045130698.db2.gz ARXOOGLYJKQSLK-SFHVURJKSA-N 0 0 366.461 2.985 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ncc(C(N)=O)cc2Cl)cc1 ZINC001319409917 1045140682 /nfs/dbraw/zinc/14/06/82/1045140682.db2.gz RAWWNKZACKIIRW-UHFFFAOYSA-N 0 0 374.872 2.952 20 10 FFCDRN Cc1ccc(C(=O)OCc2nc(-c3cccc([N+](=O)[O-])c3)no2)c(O)c1O ZINC000727004262 1045155161 /nfs/dbraw/zinc/15/51/61/1045155161.db2.gz QGPQITCYGYUUAU-UHFFFAOYSA-N 0 0 371.305 2.721 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3c(C)nsc3NC)CC2)cc1 ZINC001319626264 1045220159 /nfs/dbraw/zinc/22/01/59/1045220159.db2.gz UHCOOTBDPAWGLO-UHFFFAOYSA-N 0 0 360.483 2.854 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cnn(CC(C)C)c3)CC2)cc1 ZINC001319989719 1045321858 /nfs/dbraw/zinc/32/18/58/1045321858.db2.gz VQFVORIAHLPMMK-UHFFFAOYSA-N 0 0 356.470 2.900 20 10 FFCDRN O=C(Nc1ccnn1C[C@H]1CCOC1)c1ccc(C2=S=CC=C2)s1 ZINC001320137157 1045354072 /nfs/dbraw/zinc/35/40/72/1045354072.db2.gz KYUFDXWWOACGSW-GFCCVEGCSA-N 0 0 359.476 2.859 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3c4ccccc4nn3C)CC2)cc1 ZINC001321361181 1045640284 /nfs/dbraw/zinc/64/02/84/1045640284.db2.gz UTPNKFNMBBWKKE-UHFFFAOYSA-N 0 0 364.449 2.934 20 10 FFCDRN Cc1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nc(CO)n1 ZINC001321380451 1045645800 /nfs/dbraw/zinc/64/58/00/1045645800.db2.gz HJFXSEOSDYVDFV-KBPBESRZSA-N 0 0 360.433 2.642 20 10 FFCDRN Cn1cc(-c2cncc(C(=O)Nc3c4nonc4ccc3Cl)c2)cn1 ZINC001323706377 1045691531 /nfs/dbraw/zinc/69/15/31/1045691531.db2.gz GWOJWWJXRSBSQM-UHFFFAOYSA-N 0 0 354.757 2.924 20 10 FFCDRN COc1ccc(CNC(=O)CCc2nc(-c3ccccc3)no2)c(O)c1 ZINC001321529627 1045696821 /nfs/dbraw/zinc/69/68/21/1045696821.db2.gz HFYSVWKAGBSTEM-UHFFFAOYSA-N 0 0 353.378 2.700 20 10 FFCDRN Cc1cccc2c1N[C@@H](c1ccc(N3CCN(C)CC3)c(F)c1)NC2=O ZINC001321784178 1045799550 /nfs/dbraw/zinc/79/95/50/1045799550.db2.gz UJICRHAHMVCYCP-LJQANCHMSA-N 0 0 354.429 2.740 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)Cn3cnc4ccccc43)CC2)cc1 ZINC001324045498 1045841367 /nfs/dbraw/zinc/84/13/67/1045841367.db2.gz JFIVDVVUQCQFDS-UHFFFAOYSA-N 0 0 364.449 2.784 20 10 FFCDRN CN(C)c1ccc(CN(C2=NS(=O)(=O)c3ccccc32)C2CC2)cc1 ZINC001322325813 1046044135 /nfs/dbraw/zinc/04/41/35/1046044135.db2.gz QTGIHULSTMSJGP-UHFFFAOYSA-N 0 0 355.463 2.866 20 10 FFCDRN CCC[C@H]1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC ZINC001324497499 1046063410 /nfs/dbraw/zinc/06/34/10/1046063410.db2.gz HQYXDYIOVLLXSQ-XHSDSOJGSA-N 0 0 363.454 2.905 20 10 FFCDRN C[C@H](CCCC(F)(F)F)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001324529385 1046083770 /nfs/dbraw/zinc/08/37/70/1046083770.db2.gz FOULSJGNKBIBTE-CYBMUJFWSA-N 0 0 373.419 2.948 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC2CCC1CC2 ZINC001324993606 1046325231 /nfs/dbraw/zinc/32/52/31/1046325231.db2.gz CJISTAYSGCEXML-UAOKOLBASA-N 0 0 361.438 2.515 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cccnc3)CC2)cc1 ZINC001323193165 1046380291 /nfs/dbraw/zinc/38/02/91/1046380291.db2.gz LQFKDOLWLBONKX-MRXNPFEDSA-N 0 0 355.438 2.596 20 10 FFCDRN C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001325306605 1046460708 /nfs/dbraw/zinc/46/07/08/1046460708.db2.gz FIGLMKLPARAYLU-YJBOKZPZSA-N 0 0 352.434 2.755 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc4nonc4c3)CC2)cc1 ZINC001325869441 1046668738 /nfs/dbraw/zinc/66/87/38/1046668738.db2.gz UKSKQPNGNNEGFC-UHFFFAOYSA-N 0 0 352.394 2.584 20 10 FFCDRN Cc1nc2ccc(S(=O)(=O)NCc3ccc4c(c3)CCCN4C)cc2o1 ZINC001326175941 1046795591 /nfs/dbraw/zinc/79/55/91/1046795591.db2.gz CVVSQOJWASQDAG-UHFFFAOYSA-N 0 0 371.462 2.997 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1CCCCC[C@H]1c1ccncc1 ZINC001326912103 1047131034 /nfs/dbraw/zinc/13/10/34/1047131034.db2.gz MHDOPXVNYXMMGJ-SFHVURJKSA-N 0 0 367.449 2.890 20 10 FFCDRN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CCC(=O)NC(C)C ZINC001287365883 1047257463 /nfs/dbraw/zinc/25/74/63/1047257463.db2.gz YHZDXVOHHGHUJE-UHFFFAOYSA-N 0 0 373.501 2.733 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731456033 1047293228 /nfs/dbraw/zinc/29/32/28/1047293228.db2.gz WJDQWGGKRMLPJS-UHFFFAOYSA-N 0 0 359.357 2.501 20 10 FFCDRN COC(=O)C1=S=C(NC(=O)c2ccc(-c3ccc(C=O)cc3)cc2)C=C1 ZINC001540631090 1070953318 /nfs/dbraw/zinc/95/33/18/1070953318.db2.gz OBNKDOJBWWPFKM-UHFFFAOYSA-N 0 0 365.410 2.674 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N[C@H]2C[C@H](c3cccc(Cl)c3)C2)cc1 ZINC001327502271 1047927076 /nfs/dbraw/zinc/92/70/76/1047927076.db2.gz BBMBWGACOHKEBB-RZDIXWSQSA-N 0 0 371.868 2.643 20 10 FFCDRN CN1CCN(c2ccc(CNc3nnc(C(F)(F)F)o3)cc2F)CC1 ZINC001327601744 1047965198 /nfs/dbraw/zinc/96/51/98/1047965198.db2.gz RKOQTEYUQQSYMX-UHFFFAOYSA-N 0 0 359.327 2.591 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCn3cncc3C2)cc1 ZINC001331589013 1048025300 /nfs/dbraw/zinc/02/53/00/1048025300.db2.gz MWRKCOLMGMBOEH-UHFFFAOYSA-N 0 0 362.433 2.688 20 10 FFCDRN CCOCCO[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC001331594453 1048026113 /nfs/dbraw/zinc/02/61/13/1048026113.db2.gz QMKZKEGVSFTHFT-LBPRGKRZSA-N 0 0 351.424 2.580 20 10 FFCDRN Cc1cccc2nc(NCc3ccc(N4CCS(=O)(=O)CC4)cc3)oc21 ZINC001327973939 1048117041 /nfs/dbraw/zinc/11/70/41/1048117041.db2.gz NZKXCPRAYQSXNX-UHFFFAOYSA-N 0 0 371.462 2.983 20 10 FFCDRN Cn1cnnc1Sc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001540717437 1070975268 /nfs/dbraw/zinc/97/52/68/1070975268.db2.gz HTSRRNBAFMQWQM-UHFFFAOYSA-N 0 0 356.407 2.559 20 10 FFCDRN C[C@H]1CCc2nc(N3C(=O)CN(Cc4ccccc4O)C3=O)sc2C1 ZINC001331963167 1048188622 /nfs/dbraw/zinc/18/86/22/1048188622.db2.gz RYOPVCOWCXAKSP-NSHDSACASA-N 0 0 357.435 2.942 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(N2CCNC2=O)c1 ZINC001328459044 1048312011 /nfs/dbraw/zinc/31/20/11/1048312011.db2.gz WSIKWBJDAAPXAU-UHFFFAOYSA-N 0 0 352.438 2.521 20 10 FFCDRN O=C(NCCCC(F)F)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001332286004 1048333952 /nfs/dbraw/zinc/33/39/52/1048333952.db2.gz WVBOVZGTKVDLKQ-UHFFFAOYSA-N 0 0 359.392 2.631 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cncc(C(C)=O)c3)CC2)cc1 ZINC001332411761 1048384421 /nfs/dbraw/zinc/38/44/21/1048384421.db2.gz ZHFJZHLMZGJMFE-UHFFFAOYSA-N 0 0 353.422 2.645 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cn1c2ccccc2oc1=O ZINC001328632921 1048390878 /nfs/dbraw/zinc/39/08/78/1048390878.db2.gz OWDPNQBHAINYKR-HNNXBMFYSA-N 0 0 367.449 2.716 20 10 FFCDRN Cc1nnc(N2CCC[C@@H]3OCC[C@@H]3C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001290847384 1048442378 /nfs/dbraw/zinc/44/23/78/1048442378.db2.gz XSIQYNXTXYQLQC-APWZRJJASA-N 0 0 373.476 2.845 20 10 FFCDRN C[C@H](OCCCNC(=O)C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001332545706 1048442530 /nfs/dbraw/zinc/44/25/30/1048442530.db2.gz XWSFMIPDEOVHBP-HNNXBMFYSA-N 0 0 368.433 2.519 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCC(C)(C)C(C)(F)F)cc1 ZINC001332556844 1048448788 /nfs/dbraw/zinc/44/87/88/1048448788.db2.gz ZRQNYWXGTKPACM-UHFFFAOYSA-N 0 0 369.456 2.947 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCC(F)(F)CC1 ZINC001332556503 1048449151 /nfs/dbraw/zinc/44/91/51/1048449151.db2.gz WTRRWRXSMNEBCZ-UHFFFAOYSA-N 0 0 365.424 2.551 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](CO)CC(F)F ZINC001328946490 1048529175 /nfs/dbraw/zinc/52/91/75/1048529175.db2.gz MVCXSUBRHOWDHF-CQSZACIVSA-N 0 0 350.365 2.653 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N[C@@H]1Cc2ccccc2[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001328982377 1048540324 /nfs/dbraw/zinc/54/03/24/1048540324.db2.gz PZSRRUCTMTUBKW-BXTJHSDWSA-N 0 0 365.477 2.774 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](N2CCCC2=O)C1 ZINC001332739658 1048540586 /nfs/dbraw/zinc/54/05/86/1048540586.db2.gz WSZSWRATSANUFJ-GFCCVEGCSA-N 0 0 360.435 2.540 20 10 FFCDRN O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001332846581 1048587524 /nfs/dbraw/zinc/58/75/24/1048587524.db2.gz UFNWOCCSEGVVAL-AAEUAGOBSA-N 0 0 370.371 2.719 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccns1 ZINC001329235616 1048627773 /nfs/dbraw/zinc/62/77/73/1048627773.db2.gz HZHPXUJFJYZTJR-CQSZACIVSA-N 0 0 374.510 2.824 20 10 FFCDRN O=C([O-])c1cnn2c1[nH]c(C[N@@H+](Cc1ccc(F)cc1)CC1CC1)cc2=O ZINC000738701620 1048694340 /nfs/dbraw/zinc/69/43/40/1048694340.db2.gz DQJMZAVMUQXDCL-UHFFFAOYSA-N 0 0 370.384 2.684 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C(=O)Nc2ccn(C3CCCCC3)n2)c1 ZINC001329494192 1048739812 /nfs/dbraw/zinc/73/98/12/1048739812.db2.gz JQHYPEIDCNXFRI-UHFFFAOYSA-N 0 0 356.426 2.657 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC001330224336 1049089702 /nfs/dbraw/zinc/08/97/02/1049089702.db2.gz UNYWMJXFIJMRRF-TZMCWYRMSA-N 0 0 371.403 2.731 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCc1ccnc(OCc2ccccc2)c1 ZINC001541045752 1071046979 /nfs/dbraw/zinc/04/69/79/1071046979.db2.gz NIVLRESOUIJTQA-UHFFFAOYSA-N 0 0 364.401 2.931 20 10 FFCDRN CCc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1CC ZINC001541081137 1071049910 /nfs/dbraw/zinc/04/99/10/1071049910.db2.gz UBUWENPWXWMWCG-UHFFFAOYSA-N 0 0 358.511 2.949 20 10 FFCDRN CCCN(CCC)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001330989935 1049428519 /nfs/dbraw/zinc/42/85/19/1049428519.db2.gz MVKVMYRNNYMSNM-UHFFFAOYSA-N 0 0 360.502 2.720 20 10 FFCDRN O=C(CCCCCO)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001294162204 1049699142 /nfs/dbraw/zinc/69/91/42/1049699142.db2.gz ZJHVUPZJWRJDCH-CQSZACIVSA-N 0 0 356.413 2.926 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cccc(C)c1O ZINC001295590645 1049956151 /nfs/dbraw/zinc/95/61/51/1049956151.db2.gz MXCOYOZKJPYXGB-UHFFFAOYSA-N 0 0 363.797 2.875 20 10 FFCDRN CCOC(=O)C1(CNC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)CC1 ZINC001296719360 1050085789 /nfs/dbraw/zinc/08/57/89/1050085789.db2.gz ALCDZEVUMRIHRT-UHFFFAOYSA-N 0 0 368.433 2.980 20 10 FFCDRN CCC1N=NC(=S)N1CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000743661516 1050105416 /nfs/dbraw/zinc/10/54/16/1050105416.db2.gz MIDPAMAYQMFRIE-UHFFFAOYSA-N 0 0 369.494 2.967 20 10 FFCDRN COCCn1c(C2Sc3ncccc3C2=O)nnc1N1CC2CC1(C)C2 ZINC001341741927 1050360674 /nfs/dbraw/zinc/36/06/74/1050360674.db2.gz VUVMJMNOJRYYES-UHFFFAOYSA-N 0 0 371.466 2.896 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001340025990 1050438604 /nfs/dbraw/zinc/43/86/04/1050438604.db2.gz NMPRIYNZDDNYEF-SFHVURJKSA-N 0 0 374.441 2.969 20 10 FFCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CC[C@@H]([C@H]2CCCO2)C1 ZINC001340209228 1050616529 /nfs/dbraw/zinc/61/65/29/1050616529.db2.gz JYILPKHUHFMOKP-DGCLKSJQSA-N 0 0 371.466 2.803 20 10 FFCDRN CON(C)CCCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001299989333 1050648763 /nfs/dbraw/zinc/64/87/63/1050648763.db2.gz KGVZKAPCIRHLJR-UHFFFAOYSA-N 0 0 357.454 2.828 20 10 FFCDRN Cc1cc(C(F)(F)F)n2nc(C(=O)N3Cc4cccc(O)c4C3)cc2n1 ZINC001302786409 1051198569 /nfs/dbraw/zinc/19/85/69/1051198569.db2.gz IWCRQKCCEQJMFX-UHFFFAOYSA-N 0 0 362.311 2.918 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](O)c2cncs2)c1 ZINC001303585612 1051396595 /nfs/dbraw/zinc/39/65/95/1051396595.db2.gz IBGPGBFULWXFJT-QGZVFWFLSA-N 0 0 369.446 2.827 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(Br)[nH]c2=O)cc1F ZINC001542430486 1071232367 /nfs/dbraw/zinc/23/23/67/1071232367.db2.gz XGMOJRVJLWJXSO-UHFFFAOYSA-N 0 0 368.206 2.685 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1ccccc1COC1CCOCC1 ZINC001304053062 1051514986 /nfs/dbraw/zinc/51/49/86/1051514986.db2.gz BCTUZJYIZPQYBQ-UHFFFAOYSA-N 0 0 357.406 2.723 20 10 FFCDRN CN(c1ccccc1)[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001341279304 1051637535 /nfs/dbraw/zinc/63/75/35/1051637535.db2.gz CMTLJMACFMUYHH-CQSZACIVSA-N 0 0 355.467 2.964 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC001341281715 1051640221 /nfs/dbraw/zinc/64/02/21/1051640221.db2.gz XXYUXVGBKAZARO-LSDHHAIUSA-N 0 0 370.478 2.852 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H](C)c3c(C)nn(C)c3C)CC2)cc1 ZINC001341407162 1051764603 /nfs/dbraw/zinc/76/46/03/1051764603.db2.gz QPPGQHXKNVMTBC-OAHLLOKOSA-N 0 0 370.497 2.888 20 10 FFCDRN CCc1nnc(N(C)C[C@@H]2CCOC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001306090692 1052014222 /nfs/dbraw/zinc/01/42/22/1052014222.db2.gz JWBBTUUJKBTNTG-HNNXBMFYSA-N 0 0 361.465 2.567 20 10 FFCDRN CCc1nnc(N(CC)C(C)C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001306094711 1052016099 /nfs/dbraw/zinc/01/60/99/1052016099.db2.gz SOTLTDCPCYCANC-UHFFFAOYSA-N 0 0 357.502 2.960 20 10 FFCDRN CCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001306106839 1052021170 /nfs/dbraw/zinc/02/11/70/1052021170.db2.gz ALCBJBBPUJESSU-IYBDPMFKSA-N 0 0 357.502 2.877 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC(N3CCCCC3=O)CC2)cc1OC ZINC001306994284 1052234032 /nfs/dbraw/zinc/23/40/32/1052234032.db2.gz YEJFFLSKMOOECY-UHFFFAOYSA-N 0 0 363.414 2.593 20 10 FFCDRN Oc1cccc(F)c1CNc1ncnc2c1nnn2Cc1ccccc1 ZINC001307214715 1052270077 /nfs/dbraw/zinc/27/00/77/1052270077.db2.gz QMDBMNUCLPOVFH-UHFFFAOYSA-N 0 0 350.357 2.726 20 10 FFCDRN C[C@@H](NCc1cn(-c2ccccc2)nn1)c1ccc(N2CCOCC2)cc1 ZINC001307641077 1052329151 /nfs/dbraw/zinc/32/91/51/1052329151.db2.gz CQNUGXXLLAPWCF-QGZVFWFLSA-N 0 0 363.465 2.955 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCc3ccsc3[C@@H]1C)cc2=O ZINC001308047543 1052392450 /nfs/dbraw/zinc/39/24/50/1052392450.db2.gz YUAWVVJWACDOKE-NSHDSACASA-N 0 0 372.450 2.792 20 10 FFCDRN CCOC(=O)COc1ccc(CC[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC001308288774 1052442696 /nfs/dbraw/zinc/44/26/96/1052442696.db2.gz GXVMCXVIQLGRJT-UHFFFAOYSA-N 0 0 365.376 2.945 20 10 FFCDRN Cc1cc([C@@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(C)o1 ZINC001345483627 1052468142 /nfs/dbraw/zinc/46/81/42/1052468142.db2.gz KMSVXAHRGXCTHZ-OAHLLOKOSA-N 0 0 367.449 2.766 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]Cc1ncc[nH]1 ZINC001308889180 1052513515 /nfs/dbraw/zinc/51/35/15/1052513515.db2.gz FOGVUEUWTURCFJ-UHFFFAOYSA-N 0 0 361.037 2.930 20 10 FFCDRN CC(C)(C)[C@H]1CCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC001345578313 1052520172 /nfs/dbraw/zinc/52/01/72/1052520172.db2.gz YBOFYRLMLUXNBH-SJLPKXTDSA-N 0 0 372.513 2.718 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ncccc2Br)cc1 ZINC001346221145 1052794702 /nfs/dbraw/zinc/79/47/02/1052794702.db2.gz OMVGNTSYLIXKFJ-UHFFFAOYSA-N 0 0 363.259 2.910 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NC[C@@H]1C=CCC1 ZINC001334851136 1053115383 /nfs/dbraw/zinc/11/53/83/1053115383.db2.gz KWACNMYDOWAUGQ-QGZVFWFLSA-N 0 0 355.482 2.718 20 10 FFCDRN CO[C@H]1CC[C@H]1N(C)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001334928318 1053153544 /nfs/dbraw/zinc/15/35/44/1053153544.db2.gz FYQMYFIEGYKYPX-MJGOQNOKSA-N 0 0 374.481 2.689 20 10 FFCDRN Nc1ccc(CNC(=O)NCc2ccnc(OCC(F)(F)F)c2)cc1 ZINC001335336517 1053301831 /nfs/dbraw/zinc/30/18/31/1053301831.db2.gz GPMADPKTSUTSHJ-UHFFFAOYSA-N 0 0 354.332 2.604 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N)cc1)c1cccc(N2CCOC2=O)c1 ZINC001335425700 1053356243 /nfs/dbraw/zinc/35/62/43/1053356243.db2.gz ISMQEOZWVFVYDD-ZDUSSCGKSA-N 0 0 354.410 2.786 20 10 FFCDRN COc1ccc(C[NH2+]C[C@H](CC(=O)[O-])C(F)(F)F)cc1Cn1cccn1 ZINC001335837206 1053593409 /nfs/dbraw/zinc/59/34/09/1053593409.db2.gz 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ZINC001348258172 1054581009 /nfs/dbraw/zinc/58/10/09/1054581009.db2.gz UQUNAZCDBLNIHZ-UHFFFAOYSA-N 0 0 374.506 2.681 20 10 FFCDRN CCN(CCc1ccccc1)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001348180114 1054728788 /nfs/dbraw/zinc/72/87/88/1054728788.db2.gz XVHNYQNJLGVDFI-UHFFFAOYSA-N 0 0 367.493 2.802 20 10 FFCDRN CC(C)c1nc2ccccn2c1NC(=O)C(=O)N[C@@H](C)c1ccccc1O ZINC001337432398 1054748244 /nfs/dbraw/zinc/74/82/44/1054748244.db2.gz SJESTCVVGCCIHP-ZDUSSCGKSA-N 0 0 366.421 2.979 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ncc(C(N)=O)cc1Cl ZINC001348510403 1054752382 /nfs/dbraw/zinc/75/23/82/1054752382.db2.gz HRKIFSJLNMRBFV-LBPRGKRZSA-N 0 0 374.872 2.569 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC[C@H](C)[S@@](=O)CC1 ZINC001351532338 1054888462 /nfs/dbraw/zinc/88/84/62/1054888462.db2.gz QAOUGEAFIZCNBG-HAWMADMCSA-N 0 0 372.490 2.890 20 10 FFCDRN CO[C@@H]1CN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)[C@](C)(CO)C1 ZINC001348781856 1054924401 /nfs/dbraw/zinc/92/44/01/1054924401.db2.gz UKTDGPJDOQTTJT-FPOVZHCZSA-N 0 0 370.449 2.519 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)N2CCC(C)(F)CC2)C2CC2)cc1 ZINC001351817154 1055015167 /nfs/dbraw/zinc/01/51/67/1055015167.db2.gz NJSLMWJYKMVCOI-UHFFFAOYSA-N 0 0 361.461 2.594 20 10 FFCDRN C/C(=C/c1cccnc1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000847079978 1055044975 /nfs/dbraw/zinc/04/49/75/1055044975.db2.gz NYWUICMSUDCXCD-ZROIWOOFSA-N 0 0 373.403 2.916 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2cccc(O)c2O)C(C)(C)C1 ZINC001349076943 1055079479 /nfs/dbraw/zinc/07/94/79/1055079479.db2.gz ASYSLZWGLCKCMB-ZDUSSCGKSA-N 0 0 364.442 2.607 20 10 FFCDRN COCCn1cc(C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])cn1 ZINC001338187632 1055304008 /nfs/dbraw/zinc/30/40/08/1055304008.db2.gz MNDSIDILZVXTBB-UHFFFAOYSA-N 0 0 374.666 2.941 20 10 FFCDRN COC(=O)/C=C/c1ccc(CN(C)c2ccc(OCC(=O)OC)cc2)o1 ZINC000848902135 1055337826 /nfs/dbraw/zinc/33/78/26/1055337826.db2.gz LCLFATVITVAJNI-ZHACJKMWSA-N 0 0 359.378 2.654 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)Cn2nnc3c2CCCC3)cc1 ZINC000847304523 1055434667 /nfs/dbraw/zinc/43/46/67/1055434667.db2.gz TYHLWJJQNZRFJB-UHFFFAOYSA-N 0 0 355.486 2.662 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](CO)[C@H](CCO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001349753071 1055449615 /nfs/dbraw/zinc/44/96/15/1055449615.db2.gz CFFFEUDVMHSBSV-MOPGFXCFSA-N 0 0 370.493 2.774 20 10 FFCDRN CC(C)Oc1cncc(NCc2ccc(N3CCN(C)CC3)c(F)c2)n1 ZINC001349760780 1055454567 /nfs/dbraw/zinc/45/45/67/1055454567.db2.gz QFIRSOPIQGLEOY-UHFFFAOYSA-N 0 0 359.449 2.767 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCC[C@H]1CN1CCCC1=O ZINC001350027039 1055588036 /nfs/dbraw/zinc/58/80/36/1055588036.db2.gz IRJCIDWSTOXXTA-ZDUSSCGKSA-N 0 0 374.462 2.930 20 10 FFCDRN Cc1cnc2cc(C(=O)NCc3ccc(N4CCOCC4)c(F)c3)ccn12 ZINC000847363336 1055603266 /nfs/dbraw/zinc/60/32/66/1055603266.db2.gz XWVJFABVEHKTQP-UHFFFAOYSA-N 0 0 368.412 2.548 20 10 FFCDRN CC[C@@]1(C(=O)NCc2cccc(O)c2O)CCN(C(=O)OC(C)(C)C)C1 ZINC001350300751 1055713851 /nfs/dbraw/zinc/71/38/51/1055713851.db2.gz XXTWPGFFWXDZNP-LJQANCHMSA-N 0 0 364.442 2.751 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC001338757011 1055788664 /nfs/dbraw/zinc/78/86/64/1055788664.db2.gz WQGOEFPLSSODIV-UHFFFAOYSA-N 0 0 373.522 2.663 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCC[C@]2(C)CC2(F)F)cc1 ZINC001350680744 1055892503 /nfs/dbraw/zinc/89/25/03/1055892503.db2.gz LRYDNEUDVQESMV-GOSISDBHSA-N 0 0 367.440 2.701 20 10 FFCDRN CC1(C)CN(CC(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000847531607 1056002039 /nfs/dbraw/zinc/00/20/39/1056002039.db2.gz DCWHJGBJEZNAIY-AWEZNQCLSA-N 0 0 367.440 2.715 20 10 FFCDRN C/C(=C/c1ccccn1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000847540170 1056013034 /nfs/dbraw/zinc/01/30/34/1056013034.db2.gz YHECATKUMQYRNA-QINSGFPZSA-N 0 0 369.440 2.902 20 10 FFCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N(C)CC(=O)NC(C)(C)C ZINC001358104663 1056141782 /nfs/dbraw/zinc/14/17/82/1056141782.db2.gz IADUPAWNSINFBI-UHFFFAOYSA-N 0 0 365.503 2.719 20 10 FFCDRN CCOC(=O)CCNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001544221446 1071614641 /nfs/dbraw/zinc/61/46/41/1071614641.db2.gz LLNKNKVJKWIUAT-UHFFFAOYSA-N 0 0 356.422 2.898 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H](CO)CC(F)F)ccc1C ZINC001351530832 1056310607 /nfs/dbraw/zinc/31/06/07/1056310607.db2.gz DURXPAIBPNTSKN-MRXNPFEDSA-N 0 0 364.392 2.961 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3sc(C)cc3C)CC2)cc1 ZINC001544314440 1071626339 /nfs/dbraw/zinc/62/63/39/1071626339.db2.gz ABGGZHOLDMVCTD-UHFFFAOYSA-N 0 0 373.522 2.926 20 10 FFCDRN C[C@@H](NC(=O)[C@@H]1CNc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC001353517981 1056487245 /nfs/dbraw/zinc/48/72/45/1056487245.db2.gz LUTUATCESYUXML-DNVCBOLYSA-N 0 0 351.450 2.910 20 10 FFCDRN CCCCNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(N)cc1 ZINC001353540931 1056514814 /nfs/dbraw/zinc/51/48/14/1056514814.db2.gz ZNTRBZNMLWQSOJ-QGZVFWFLSA-N 0 0 362.474 2.859 20 10 FFCDRN CCn1c([C@@H]2CCc3n[nH]cc3C2)nnc1N(C)Cc1ccccc1O ZINC001339553014 1056577959 /nfs/dbraw/zinc/57/79/59/1056577959.db2.gz PDYGYYDVMRQNKJ-CYBMUJFWSA-N 0 0 352.442 2.636 20 10 FFCDRN CC1CCC2(CC1)NC(=O)N(Cc1ccc(N3CCOCC3)cc1)C2=O ZINC000849351258 1056836873 /nfs/dbraw/zinc/83/68/73/1056836873.db2.gz DPNMREAFFVBOHQ-UHFFFAOYSA-N 0 0 357.454 2.524 20 10 FFCDRN COc1ccc(N2CC[C@H](N3C(=O)[C@@H](c4ccccc4)N(C)C3=O)C2)cc1 ZINC000849358469 1056842515 /nfs/dbraw/zinc/84/25/15/1056842515.db2.gz WJKCELYXDFDGLP-PKOBYXMFSA-N 0 0 365.433 2.909 20 10 FFCDRN Cc1nc(C)n(Cc2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2)n1 ZINC001545190849 1071744176 /nfs/dbraw/zinc/74/41/76/1071744176.db2.gz ADDYQHQKVWMUIQ-UHFFFAOYSA-N 0 0 352.394 2.536 20 10 FFCDRN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)N1CCC1 ZINC001443749874 1058239211 /nfs/dbraw/zinc/23/92/11/1058239211.db2.gz FFQJUWXQFNCUTB-RAXLEYEMSA-N 0 0 350.440 2.649 20 10 FFCDRN Cc1nn(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)c2ncccc12 ZINC001353919984 1058376057 /nfs/dbraw/zinc/37/60/57/1058376057.db2.gz KCCAAJRGKUHHSV-UHFFFAOYSA-N 0 0 363.465 2.999 20 10 FFCDRN CN(C)c1ccc(C[NH2+][C@H]2CCO[C@](C)(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC001353963690 1058433297 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Cc1cc(C(=O)N[C@H](C)c2nnnn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001514765394 1059086069 /nfs/dbraw/zinc/08/60/69/1059086069.db2.gz BZFREUKZMGJGFQ-CQSZACIVSA-N 0 0 352.442 2.725 20 10 FFCDRN CN1CC[C@H]1CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001354532669 1059122083 /nfs/dbraw/zinc/12/20/83/1059122083.db2.gz LNUYUSULSABKET-KRWDZBQOSA-N 0 0 351.410 2.861 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H](O)C2CC2)n1C[C@H]1CCCCO1 ZINC001519981929 1059273040 /nfs/dbraw/zinc/27/30/40/1059273040.db2.gz OYEWUBACCLNEOL-SJLPKXTDSA-N 0 0 372.469 2.633 20 10 FFCDRN COc1ccc(-c2cc(CNC(=O)c3ccc(C)c(O)c3O)on2)cc1 ZINC001453077780 1059331351 /nfs/dbraw/zinc/33/13/51/1059331351.db2.gz SPZLAJOXJGLYQD-UHFFFAOYSA-N 0 0 354.362 3.000 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnn2c1NC[C@@H](C)C2 ZINC001520239648 1059523508 /nfs/dbraw/zinc/52/35/08/1059523508.db2.gz KPOWZLLIMVFSKT-HIFRSBDPSA-N 0 0 355.486 2.680 20 10 FFCDRN COC(=O)c1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)on1 ZINC001454624515 1059584370 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CSC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCCCC1 ZINC001455859723 1059941957 /nfs/dbraw/zinc/94/19/57/1059941957.db2.gz IBXFMPGYYKMMDR-UHFFFAOYSA-N 0 0 372.512 2.559 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC[C@@H]1[C@@H]1CCCO1 ZINC001520767505 1060055127 /nfs/dbraw/zinc/05/51/27/1060055127.db2.gz PRZQTZQBKNKARV-UXHICEINSA-N 0 0 373.497 2.766 20 10 FFCDRN Cc1nn(C)c(-n2cccn2)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001456310992 1060084342 /nfs/dbraw/zinc/08/43/42/1060084342.db2.gz RRAMJMIJGFXYEZ-UHFFFAOYSA-N 0 0 361.405 2.703 20 10 FFCDRN Cn1ncc(Br)c1C(=O)NCc1c(O)ccc2ccccc21 ZINC001456307583 1060085475 /nfs/dbraw/zinc/08/54/75/1060085475.db2.gz DPGINUROXIXPQK-UHFFFAOYSA-N 0 0 360.211 2.971 20 10 FFCDRN COc1c(N)ncnc1N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000848669608 1060426254 /nfs/dbraw/zinc/42/62/54/1060426254.db2.gz GSJQXYBOZVEUEC-NSHDSACASA-N 0 0 365.384 2.750 20 10 FFCDRN O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001475467252 1061103669 /nfs/dbraw/zinc/10/36/69/1061103669.db2.gz 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CC(C)c1n[nH]c(C(=O)NCc2cccc(O)c2O)c1Br ZINC001528771188 1062039577 /nfs/dbraw/zinc/03/95/77/1062039577.db2.gz MDSLLPYHAOSCES-UHFFFAOYSA-N 0 0 354.204 2.637 20 10 FFCDRN Cc1sc2ncn(NC(=O)c3ccc(N=NC(N)=O)cc3)c(=O)c2c1C ZINC001463751445 1062243627 /nfs/dbraw/zinc/24/36/27/1062243627.db2.gz IHRQRINSSHGDMK-UHFFFAOYSA-N 0 0 370.394 2.621 20 10 FFCDRN COC(=O)c1ccc([C@H]2CCCCN2C(=O)c2cccc(O)c2O)n1C ZINC001522826184 1062301538 /nfs/dbraw/zinc/30/15/38/1062301538.db2.gz MZGPPWNEHSEIFG-CQSZACIVSA-N 0 0 358.394 2.590 20 10 FFCDRN Cc1cccc(NCCNC(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC001479406796 1062349809 /nfs/dbraw/zinc/34/98/09/1062349809.db2.gz YCXABVHHNVSVMN-UHFFFAOYSA-N 0 0 354.454 2.886 20 10 FFCDRN CCc1c(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)cnn1CC ZINC001435026627 1062374755 /nfs/dbraw/zinc/37/47/55/1062374755.db2.gz ZYEZMTUQAPSLRL-UHFFFAOYSA-N 0 0 356.470 2.873 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1 ZINC001437380431 1062857622 /nfs/dbraw/zinc/85/76/22/1062857622.db2.gz 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ZINC001442107225 1063500678 /nfs/dbraw/zinc/50/06/78/1063500678.db2.gz RVNDJKQENBAQKM-UHFFFAOYSA-N 0 0 368.462 2.760 20 10 FFCDRN C[C@H](NC(=O)Cc1cc(F)ccc1O)c1ccc(N2CCOCC2)cc1 ZINC001442407998 1063532087 /nfs/dbraw/zinc/53/20/87/1063532087.db2.gz FHLRJTCFZMGTTQ-AWEZNQCLSA-N 0 0 358.413 2.788 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cc(C(F)(F)F)n(C)n2)cc1F ZINC001467437148 1063746422 /nfs/dbraw/zinc/74/64/22/1063746422.db2.gz RFDGSCOBJDVMHJ-UHFFFAOYSA-N 0 0 359.327 2.966 20 10 FFCDRN CCc1nnc(N(C)Cc2ccccc2O)n1CCCc1nnc(C)s1 ZINC001498675505 1063846982 /nfs/dbraw/zinc/84/69/82/1063846982.db2.gz PEWMIPIWFFNGOL-UHFFFAOYSA-N 0 0 372.498 2.975 20 10 FFCDRN CO[C@]1(C(F)(F)F)CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC001468321085 1063965840 /nfs/dbraw/zinc/96/58/40/1063965840.db2.gz QBFFSOWDQULLHH-QGZVFWFLSA-N 0 0 371.403 2.932 20 10 FFCDRN CCOC(=O)[C@@H]1C2CCC(CC2)N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001468342971 1063969970 /nfs/dbraw/zinc/96/99/70/1063969970.db2.gz HOWLBUURHCMGES-KWCHVYNWSA-N 0 0 358.398 2.795 20 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QUDZQXPVDHFMQH-UHFFFAOYSA-N 0 0 350.194 2.773 20 10 FFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](O)COc1ccc(F)c(F)c1 ZINC001473986795 1065434031 /nfs/dbraw/zinc/43/40/31/1065434031.db2.gz PVGCHGUMIXHRNE-NSHDSACASA-N 0 0 361.747 2.992 20 10 FFCDRN Cc1ccn2cc(CNCc3ccc(N4CCN(C)CC4)c(F)c3)nc2c1 ZINC001473987692 1065434789 /nfs/dbraw/zinc/43/47/89/1065434789.db2.gz JJROJOMWCZKBEH-UHFFFAOYSA-N 0 0 367.472 2.823 20 10 FFCDRN CCOC(=O)CN(Cc1ccc(/C=C\C(=O)OC)o1)Cc1ccccc1O ZINC001474592106 1065556852 /nfs/dbraw/zinc/55/68/52/1065556852.db2.gz CWKNDABJYAQJFG-KHPPLWFESA-N 0 0 373.405 2.737 20 10 FFCDRN COc1ccc(F)cc1CC[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001474708764 1065587773 /nfs/dbraw/zinc/58/77/73/1065587773.db2.gz PGOPXUPLMYYYJW-UHFFFAOYSA-N 0 0 350.346 2.789 20 10 FFCDRN CO[C@@H]1CCC[C@@H]1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC001474857996 1065627934 /nfs/dbraw/zinc/62/79/34/1065627934.db2.gz DXKRGSYWKQQUSN-MSOLQXFVSA-N 0 0 352.500 2.614 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C2(Cc3c[nH]nn3)CCC2)c1 ZINC001577252587 1078324015 /nfs/dbraw/zinc/32/40/15/1078324015.db2.gz VHHIMAGMOICATD-UHFFFAOYSA-N 0 0 351.248 2.836 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccnc(N)c2)cc1 ZINC001578425405 1078473080 /nfs/dbraw/zinc/47/30/80/1078473080.db2.gz CBMGXPJISTVELH-UHFFFAOYSA-N 0 0 352.360 2.935 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cc(SC)ncn2)cc1 ZINC001563090766 1073542644 /nfs/dbraw/zinc/54/26/44/1073542644.db2.gz QNXUVIJJONULMI-UHFFFAOYSA-N 0 0 361.471 2.807 20 10 FFCDRN Cn1c2ccc(NC(=O)c3cc4cc(O)c(O)cc4s3)cc2n(C)c1=O ZINC001583605106 1079238979 /nfs/dbraw/zinc/23/89/79/1079238979.db2.gz LQWCSAFTVDKLOE-UHFFFAOYSA-N 0 0 369.402 2.755 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CCCn1ccnn1 ZINC001554174749 1075609247 /nfs/dbraw/zinc/60/92/47/1075609247.db2.gz BUJRDKINIKSHKR-UHFFFAOYSA-N 0 0 367.457 2.569 20 10 FFCDRN COC[C@H](C)Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001555237173 1075652440 /nfs/dbraw/zinc/65/24/40/1075652440.db2.gz 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C[C@H](NC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(N(C)C)cc1 ZINC001589937089 1080882336 /nfs/dbraw/zinc/88/23/36/1080882336.db2.gz NAMRCWCXQJLAJS-NSHDSACASA-N 0 0 369.404 2.955 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589958463 1080903400 /nfs/dbraw/zinc/90/34/00/1080903400.db2.gz YTVCBVQILMKTKL-TZMCWYRMSA-N 0 0 368.416 2.641 20 10 FFCDRN C[C@@H]([NH2+]CCCn1cnc2ccccc21)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589960890 1080904499 /nfs/dbraw/zinc/90/44/99/1080904499.db2.gz JWODTMGMGHQJKQ-CYBMUJFWSA-N 0 0 363.425 2.663 20 10 FFCDRN COC(=O)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1 ZINC000018150485 220224532 /nfs/dbraw/zinc/22/45/32/220224532.db2.gz IRCZQCHMOLSIKY-UHFFFAOYSA-N 0 0 371.393 2.720 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(-n3ccnc3)nc2)c(C)n1-c1ccccn1 ZINC000033044745 506328126 /nfs/dbraw/zinc/32/81/26/506328126.db2.gz FXSPZMAZLKTQGG-UHFFFAOYSA-N 0 0 372.432 3.000 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN1C(=O)Cc1cccs1 ZINC000065645298 506340428 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511191506 /nfs/dbraw/zinc/19/15/06/511191506.db2.gz GVMDFGWHELMYFL-UHFFFAOYSA-N 0 0 357.498 2.798 20 10 FFCDRN CCCCN(C)C(=O)CSCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298193689 511204741 /nfs/dbraw/zinc/20/47/41/511204741.db2.gz HQNYHXKCNIKNJW-UHFFFAOYSA-N 0 0 365.543 2.703 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)Nc2ccc(OC)c(OC)c2)s1 ZINC000294920923 511221403 /nfs/dbraw/zinc/22/14/03/511221403.db2.gz CHRBROIWJZTMAE-UHFFFAOYSA-N 0 0 368.436 2.678 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccc3n[nH]c(=S)n3c2)C2CC2)cc1 ZINC000294929729 511225314 /nfs/dbraw/zinc/22/53/14/511225314.db2.gz ULJDVZXCCYGDFP-UHFFFAOYSA-N 0 0 367.478 2.889 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000271667839 511281871 /nfs/dbraw/zinc/28/18/71/511281871.db2.gz NZUPYLHOWPPTRZ-CYBMUJFWSA-N 0 0 360.360 2.682 20 10 FFCDRN O=C([N-]C[C@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1)C(F)(F)F ZINC000291696015 511302312 /nfs/dbraw/zinc/30/23/12/511302312.db2.gz YNAHCVULDVPSDU-SNVBAGLBSA-N 0 0 350.768 2.936 20 10 FFCDRN Cc1ccc(CNC(=O)c2c(F)ccc(O)c2O)c(O[C@@H]2CCOC2)c1 ZINC000295196541 511317035 /nfs/dbraw/zinc/31/70/35/511317035.db2.gz VNZRIQOZZKHUSH-CYBMUJFWSA-N 0 0 361.369 2.643 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000298568424 511331769 /nfs/dbraw/zinc/33/17/69/511331769.db2.gz CPMSVZZQNLSGJC-UHFFFAOYSA-N 0 0 356.470 2.816 20 10 FFCDRN C[C@H](NCc1ncn(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 ZINC000271848173 511345686 /nfs/dbraw/zinc/34/56/86/511345686.db2.gz VZKRWLMJZPRCBX-KRWDZBQOSA-N 0 0 363.465 2.955 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C[C@@H]1CCCC1(F)F ZINC000295328912 511364548 /nfs/dbraw/zinc/36/45/48/511364548.db2.gz WYUMMXDGNJQNNS-LBPRGKRZSA-N 0 0 360.426 2.717 20 10 FFCDRN CC(C)(C)OC(=O)N1CCN(C(=O)c2cccc(O)c2O)C[C@@](C)(F)C1 ZINC000295356858 511375178 /nfs/dbraw/zinc/37/51/78/511375178.db2.gz IYUGPQFZHHRPNK-GOSISDBHSA-N 0 0 368.405 2.519 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CS(=O)(=O)CC ZINC000283540777 511407308 /nfs/dbraw/zinc/40/73/08/511407308.db2.gz CZDSVWCKWUVDTI-AWEZNQCLSA-N 0 0 356.488 2.527 20 10 FFCDRN Cc1c(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cnn1C ZINC000298795518 511413495 /nfs/dbraw/zinc/41/34/95/511413495.db2.gz SDNHGLBUMQZMTC-UHFFFAOYSA-N 0 0 368.403 2.928 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC(c2ccncn2)CC1 ZINC000298803532 511415937 /nfs/dbraw/zinc/41/59/37/511415937.db2.gz FLNMEZGYPYIIFZ-UHFFFAOYSA-N 0 0 363.465 2.942 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3ccc(C(C)=O)cc3)CC2)cc1 ZINC000298810684 511418022 /nfs/dbraw/zinc/41/80/22/511418022.db2.gz OSPIIMYMLHEBBL-UHFFFAOYSA-N 0 0 352.434 2.789 20 10 FFCDRN CC[C@H]1NC(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O ZINC000272077952 511423646 /nfs/dbraw/zinc/42/36/46/511423646.db2.gz FDEOSDBEDMMURK-GXTWGEPZSA-N 0 0 353.369 2.587 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3ccn(C(C)C)n3)CC2)cc1F ZINC000280468837 511476710 /nfs/dbraw/zinc/47/67/10/511476710.db2.gz JDFHYVZTBHYDKQ-UHFFFAOYSA-N 0 0 361.421 2.966 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(N2CCCCC2)nc1 ZINC000272352332 511491811 /nfs/dbraw/zinc/49/18/11/511491811.db2.gz BDCOWOVKPVUXKQ-RMKNXTFCSA-N 0 0 353.422 2.813 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc([S@@](C)=O)c1 ZINC000272860090 511509504 /nfs/dbraw/zinc/50/95/04/511509504.db2.gz RVLAJNQFNWGQRL-RUZDIDTESA-N 0 0 359.451 2.921 20 10 FFCDRN C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273416945 511524363 /nfs/dbraw/zinc/52/43/63/511524363.db2.gz QZCQIYOBHCRTLO-CYBMUJFWSA-N 0 0 364.423 2.566 20 10 FFCDRN C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273456541 511526464 /nfs/dbraw/zinc/52/64/64/511526464.db2.gz HCHMWMWNMNMADA-IXDGSTSKSA-N 0 0 363.458 2.719 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)c2occc2C)c1 ZINC000273501970 511529387 /nfs/dbraw/zinc/52/93/87/511529387.db2.gz QFQXGADAYIQBBG-CYBMUJFWSA-N 0 0 360.410 2.551 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000280616207 511534538 /nfs/dbraw/zinc/53/45/38/511534538.db2.gz HAHXOBUHXPREKH-OAHLLOKOSA-N 0 0 355.404 2.787 20 10 FFCDRN CCOC(=O)C1([S@@](C)=O)CCN([C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000295851820 511535791 /nfs/dbraw/zinc/53/57/91/511535791.db2.gz BAQPSHVQYHAQMY-SGANQWHYSA-N 0 0 366.527 2.590 20 10 FFCDRN COC1CCN(c2ccc(Cn3cc([N+](=O)[O-])cc(C)c3=O)cc2)CC1 ZINC000295862967 511539750 /nfs/dbraw/zinc/53/97/50/511539750.db2.gz CARIJFRXPCAYDW-UHFFFAOYSA-N 0 0 357.410 2.728 20 10 FFCDRN CCO[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000299246820 511564922 /nfs/dbraw/zinc/56/49/22/511564922.db2.gz ZFWDJQGMYJOLGU-HXUWFJFHSA-N 0 0 354.450 2.917 20 10 FFCDRN CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000280692097 511566049 /nfs/dbraw/zinc/56/60/49/511566049.db2.gz RHMZLXWSZWCLHY-GFCCVEGCSA-N 0 0 350.415 2.569 20 10 FFCDRN Cc1c(CC(=O)NCc2ccc(N(C)C)c(F)c2)nnn1-c1ccccc1 ZINC000299325358 511593024 /nfs/dbraw/zinc/59/30/24/511593024.db2.gz KIHTUUUFYWQSPO-UHFFFAOYSA-N 0 0 367.428 2.640 20 10 FFCDRN CCN(CC)c1ccc(CNc2cccc(C(=O)N(C)CC(N)=O)c2)cc1 ZINC000284098869 511605178 /nfs/dbraw/zinc/60/51/78/511605178.db2.gz RYRJYRLJMMYISF-UHFFFAOYSA-N 0 0 368.481 2.702 20 10 FFCDRN O=C(NCc1ccccc1O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000299460441 511644530 /nfs/dbraw/zinc/64/45/30/511644530.db2.gz BTMWZNAGIZTBCK-INIZCTEOSA-N 0 0 356.397 2.700 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(OC2CCCC2)cc1 ZINC000299463550 511645015 /nfs/dbraw/zinc/64/50/15/511645015.db2.gz AMHIVGKHTMZXJU-UHFFFAOYSA-N 0 0 354.406 2.969 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CCc3cnn(C)c3C2)C2CC2)cc1 ZINC000280948300 511663149 /nfs/dbraw/zinc/66/31/49/511663149.db2.gz GCTWYSQNUAQRNU-INIZCTEOSA-N 0 0 352.482 2.782 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CN(C)C(=O)c4ccccc43)ccc21 ZINC000365829389 511672495 /nfs/dbraw/zinc/67/24/95/511672495.db2.gz IGSRZPIVJNYIOT-LJQANCHMSA-N 0 0 363.461 2.555 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCc3c(cccc3NC(C)=O)C2)ccc1[N+](=O)[O-] ZINC000365829172 511672703 /nfs/dbraw/zinc/67/27/03/511672703.db2.gz WQXFNCWBEGDWPM-UHFFFAOYSA-N 0 0 371.393 2.826 20 10 FFCDRN Cc1ncc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000284332671 511686680 /nfs/dbraw/zinc/68/66/80/511686680.db2.gz ANZVEGWQOUTMBW-UHFFFAOYSA-N 0 0 374.510 2.571 20 10 FFCDRN O=S(=O)(CCC(F)(F)F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000284375550 511702470 /nfs/dbraw/zinc/70/24/70/511702470.db2.gz RQYYWWBLROLVTJ-ZDUSSCGKSA-N 0 0 367.389 2.655 20 10 FFCDRN COc1ccc(N2CCN(c3nc(N)c4ccccc4n3)CC2)cc1F ZINC000301916005 511702741 /nfs/dbraw/zinc/70/27/41/511702741.db2.gz VQKMLCVYNOCIQE-UHFFFAOYSA-N 0 0 353.401 2.686 20 10 FFCDRN CC(C)c1nc(NCc2ccc(N3CCOCC3)c(F)c2)nc(N(C)C)n1 ZINC000301951082 511703703 /nfs/dbraw/zinc/70/37/03/511703703.db2.gz ZWYQJLVPWVATQA-UHFFFAOYSA-N 0 0 374.464 2.649 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000363689092 511705429 /nfs/dbraw/zinc/70/54/29/511705429.db2.gz NBFPOHLBEYSKLL-MRXNPFEDSA-N 0 0 371.441 2.559 20 10 FFCDRN COC[C@]1(CNC(=O)N(C)Cc2ccccc2O)OCCc2ccccc21 ZINC000292821376 511733258 /nfs/dbraw/zinc/73/32/58/511733258.db2.gz ZVLYOBAMWRRNRQ-NRFANRHFSA-N 0 0 370.449 2.648 20 10 FFCDRN Cn1nc(C(F)F)c2cc(C(=O)NCCc3ccc(O)c(O)c3)sc21 ZINC000281402525 511833136 /nfs/dbraw/zinc/83/31/36/511833136.db2.gz CFNMUOLMBOSWED-UHFFFAOYSA-N 0 0 367.377 2.956 20 10 FFCDRN CCn1nccc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000274510831 511859645 /nfs/dbraw/zinc/85/96/45/511859645.db2.gz UOZDFADHUBZXLS-UHFFFAOYSA-N 0 0 362.499 2.714 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1nc(C)no1 ZINC000296742163 511878976 /nfs/dbraw/zinc/87/89/76/511878976.db2.gz HQUMPZWPQMLBSX-UHFFFAOYSA-N 0 0 355.192 2.900 20 10 FFCDRN COCCOc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(Cl)c1 ZINC000274685959 511910462 /nfs/dbraw/zinc/91/04/62/511910462.db2.gz SQVPRMXAUAJYFE-UHFFFAOYSA-N 0 0 365.813 2.749 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)c1 ZINC000366248636 511921390 /nfs/dbraw/zinc/92/13/90/511921390.db2.gz XUJWKFHWEVLMHI-GTNSWQLSSA-N 0 0 362.451 2.964 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N2CCCN(C)c3ccccc32)cn1 ZINC000275043944 512025067 /nfs/dbraw/zinc/02/50/67/512025067.db2.gz SPGMHTPJIFOBMX-UHFFFAOYSA-N 0 0 364.453 2.790 20 10 FFCDRN COc1cc(N2CCN(C(=O)[C@H](C)C(C)(F)F)CC2)cc(OC)c1OC ZINC000293618769 512028802 /nfs/dbraw/zinc/02/88/02/512028802.db2.gz WYOUGHFAESWQBT-LBPRGKRZSA-N 0 0 372.412 2.652 20 10 FFCDRN COc1ccncc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000297170676 512046369 /nfs/dbraw/zinc/04/63/69/512046369.db2.gz BBCMIQBCTZGGNR-KRWDZBQOSA-N 0 0 371.437 2.687 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1F ZINC000364428461 512108594 /nfs/dbraw/zinc/10/85/94/512108594.db2.gz NZJPOGHIQXWTKX-UHFFFAOYSA-N 0 0 373.428 2.653 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)cc1 ZINC000369737198 512581633 /nfs/dbraw/zinc/58/16/33/512581633.db2.gz GGQUARBCODRORA-XLIONFOSSA-N 0 0 361.486 2.670 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC(c4nc(C)no4)C3)ccc21 ZINC000370133795 512784404 /nfs/dbraw/zinc/78/44/04/512784404.db2.gz TXWYXCJRSUMEMF-UHFFFAOYSA-N 0 0 368.437 2.836 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@@H](Oc4ccccc4)C3)cc2N1 ZINC000370540042 512986216 /nfs/dbraw/zinc/98/62/16/512986216.db2.gz XFRIWDBAWKRAFP-CYBMUJFWSA-N 0 0 355.350 2.583 20 10 FFCDRN CC[C@H]([NH2+][C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(Cl)c1[O-] ZINC000376883859 513031975 /nfs/dbraw/zinc/03/19/75/513031975.db2.gz DLRRXQFJVRKTFW-JKSUJKDBSA-N 0 0 352.862 2.866 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCCOC(F)F)CC2)cc1 ZINC000374962385 513090268 /nfs/dbraw/zinc/09/02/68/513090268.db2.gz DEJHXBGOFNPJKY-UHFFFAOYSA-N 0 0 357.401 2.546 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H]1CCNCC1(F)F ZINC000418100811 513372242 /nfs/dbraw/zinc/37/22/42/513372242.db2.gz QJULKMHPZCIQSS-CYBMUJFWSA-N 0 0 350.413 2.531 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1c(Br)cnn1C ZINC000451317385 513674241 /nfs/dbraw/zinc/67/42/41/513674241.db2.gz VMYIKRHKGCUHKJ-UHFFFAOYSA-N 0 0 361.243 2.913 20 10 FFCDRN CN(C(=O)c1c[nH]nc1-c1cnn(C)c1)c1cccc(OC(F)(F)F)c1 ZINC000436320547 513827345 /nfs/dbraw/zinc/82/73/45/513827345.db2.gz HVJJAZHDSNZPJM-UHFFFAOYSA-N 0 0 365.315 2.985 20 10 FFCDRN O=C(Nc1ccc(-c2nc([C@@H]3CCCOC3)no2)cc1)C1=S=CC=C1 ZINC000445520697 514489515 /nfs/dbraw/zinc/48/95/15/514489515.db2.gz MOUHZHOPBOIBKD-CYBMUJFWSA-N 0 0 355.419 2.847 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc2c(n1)CCC2 ZINC000453722617 514830496 /nfs/dbraw/zinc/83/04/96/514830496.db2.gz FUZDXAAFFBSQTI-UHFFFAOYSA-N 0 0 362.433 2.625 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](C(C)C)N1CCOCC1 ZINC000471608176 514953766 /nfs/dbraw/zinc/95/37/66/514953766.db2.gz BPBBTYBTGVGABU-LJQANCHMSA-N 0 0 372.513 2.643 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccccc1N(C)C ZINC000472780437 515395856 /nfs/dbraw/zinc/39/58/56/515395856.db2.gz AIEIEKFTQPMVRZ-UHFFFAOYSA-N 0 0 364.449 2.808 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CSc1nnc2ccccn21 ZINC000473285530 515564266 /nfs/dbraw/zinc/56/42/66/515564266.db2.gz ZEQFIVWIGBOLCY-UHFFFAOYSA-N 0 0 365.462 2.938 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000473293054 515566829 /nfs/dbraw/zinc/56/68/29/515566829.db2.gz JEGQRCPWPAEFHY-UHFFFAOYSA-N 0 0 371.387 2.811 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](COC)[C@H]3CCCO3)ccc21 ZINC000469141642 515689471 /nfs/dbraw/zinc/68/94/71/515689471.db2.gz UQCXQFKOGPGVHP-UYAOXDASSA-N 0 0 374.481 2.828 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](COC)[C@@H]3CCCO3)ccc21 ZINC000469141583 515689495 /nfs/dbraw/zinc/68/94/95/515689495.db2.gz UQCXQFKOGPGVHP-ICSRJNTNSA-N 0 0 374.481 2.828 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H](C)c1ccncc1F ZINC000496429154 516260159 /nfs/dbraw/zinc/26/01/59/516260159.db2.gz OVPZCCGVTPHDNO-CYBMUJFWSA-N 0 0 368.412 2.514 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000548755863 517192676 /nfs/dbraw/zinc/19/26/76/517192676.db2.gz YHCPTRRTNJDVSL-DNVCBOLYSA-N 0 0 352.438 2.614 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000525912251 517230741 /nfs/dbraw/zinc/23/07/41/517230741.db2.gz FIXGNPTZMZCHMU-MRXNPFEDSA-N 0 0 363.465 2.942 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)O[C@]2(CCO[C@H]2C)C1 ZINC000527176723 517545556 /nfs/dbraw/zinc/54/55/56/517545556.db2.gz DSAGCMANEBNKGL-WDUKFBBWSA-N 0 0 371.481 2.965 20 10 FFCDRN COc1cccc([C@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)OC)c1 ZINC000530199981 517623062 /nfs/dbraw/zinc/62/30/62/517623062.db2.gz VFKVMCSVCALOLZ-SFHVURJKSA-N 0 0 370.405 2.553 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCNC(=O)c1cccs1 ZINC000527453157 517685038 /nfs/dbraw/zinc/68/50/38/517685038.db2.gz DYWCXMBFNBSRRB-UHFFFAOYSA-N 0 0 370.478 2.777 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNc1nccc(N[C@H]2CCCOC2)n1 ZINC000530429612 517771391 /nfs/dbraw/zinc/77/13/91/517771391.db2.gz MLWLPKKPNJDWIN-HNNXBMFYSA-N 0 0 351.454 2.902 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(CC1CC1)CC1CC1 ZINC000577771254 519248145 /nfs/dbraw/zinc/24/81/45/519248145.db2.gz XPCLVWOCWJOCCB-UHFFFAOYSA-N 0 0 353.466 2.752 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@H]2CCCC[C@@H]2C1 ZINC000574718081 519296559 /nfs/dbraw/zinc/29/65/59/519296559.db2.gz QENKIDKANLULSD-HZPDHXFCSA-N 0 0 353.466 2.752 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC3(COC3)C2)CCCC1 ZINC000620287687 522168063 /nfs/dbraw/zinc/16/80/63/522168063.db2.gz USDSDPGRUFPNLL-UHFFFAOYSA-N 0 0 354.450 2.778 20 10 FFCDRN COc1cccc(CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)c1O ZINC000737131906 599051733 /nfs/dbraw/zinc/05/17/33/599051733.db2.gz HVWDPPACMJIDGW-UHFFFAOYSA-N 0 0 366.303 2.607 20 10 FFCDRN COc1ccc(N2CCN(c3ccc(-c4nn[nH]n4)c(Cl)c3)CC2)cc1 ZINC000737098979 598506178 /nfs/dbraw/zinc/50/61/78/598506178.db2.gz JHNLQVZIBJRUIB-UHFFFAOYSA-N 0 0 370.844 2.855 20 10 FFCDRN Cc1cc(C(=O)N2CCCCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235321 598609569 /nfs/dbraw/zinc/60/95/69/598609569.db2.gz UWCFUJLNNLPVGT-UHFFFAOYSA-N 0 0 350.426 2.900 20 10 FFCDRN CCC(=O)[C@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736304959 598622563 /nfs/dbraw/zinc/62/25/63/598622563.db2.gz SGDDDTUMCWVAAT-ZDUSSCGKSA-N 0 0 367.409 2.799 20 10 FFCDRN CSC[C@H](C)NC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000737176688 599391189 /nfs/dbraw/zinc/39/11/89/599391189.db2.gz PGEUFRKNJLKXJO-NSHDSACASA-N 0 0 370.482 2.756 20 10 FFCDRN C[N@H+](CC1CC1)C[C@H]1CCN(c2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000830714819 600986360 /nfs/dbraw/zinc/98/63/60/600986360.db2.gz ZDGNURKVAPTGNC-BIENSFFJSA-N 0 0 359.426 2.861 20 10 FFCDRN C[C@H]1CN(c2ccc(C[NH2+]C[C@@H]3CCCN3C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000739198023 602050156 /nfs/dbraw/zinc/05/01/56/602050156.db2.gz ZSOHXDFPNQTGRE-DZKIICNBSA-N 0 0 365.449 2.671 20 10 FFCDRN O=C([O-])Nc1ccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000832842374 603542517 /nfs/dbraw/zinc/54/25/17/603542517.db2.gz WMLQQKDGDIYKOO-UHFFFAOYSA-N 0 0 374.416 2.562 20 10 FFCDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCCCSc1nccs1 ZINC000826248451 607690078 /nfs/dbraw/zinc/69/00/78/607690078.db2.gz JQOAHYMYNWKPQN-UHFFFAOYSA-N 0 0 360.468 2.544 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCOC3(CCOCC3)C2)c1O ZINC000833307664 604642547 /nfs/dbraw/zinc/64/25/47/604642547.db2.gz KKQDEFZALSEODT-UHFFFAOYSA-N 0 0 357.406 2.625 20 10 FFCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2nccnc2-c2nn[nH]n2)CC1 ZINC000826233868 607726887 /nfs/dbraw/zinc/72/68/87/607726887.db2.gz YKWSNKQDOKCCCL-UHFFFAOYSA-N 0 0 358.409 2.740 20 10 FFCDRN Cc1cc(Br)cc(C[N@H+]2C[C@H](CNC(=O)[O-])C[C@@H]2C)c1O ZINC000833897411 605996316 /nfs/dbraw/zinc/99/63/16/605996316.db2.gz KEBLQMWGUXJOOI-QWRGUYRKSA-N 0 0 357.248 2.941 20 10 FFCDRN COc1ccc(N(C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1F ZINC000821828305 606881891 /nfs/dbraw/zinc/88/18/91/606881891.db2.gz SDGOIZFIWBQAPB-UHFFFAOYSA-N 0 0 373.388 2.538 20 10 FFCDRN Cc1ncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[nH]n2)s1 ZINC000822466780 606965551 /nfs/dbraw/zinc/96/55/51/606965551.db2.gz AFYZPRIZJDPGQD-GQCTYLIASA-N 0 0 360.830 2.961 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2Cl)cc1 ZINC000821589275 607200055 /nfs/dbraw/zinc/20/00/55/607200055.db2.gz GNSIWGOKLDTTBG-UHFFFAOYSA-N 0 0 371.832 2.908 20 10 FFCDRN Oc1ccccc1CNc1c(-c2nn[nH]n2)cnc2c(F)ccc(Cl)c21 ZINC000826511337 608376624 /nfs/dbraw/zinc/37/66/24/608376624.db2.gz LNSHTAIXGIGALG-UHFFFAOYSA-N 0 0 370.775 2.947 20 10 FFCDRN C[C@@H](NC(=O)NCCCSc1nccs1)C(=O)Nc1ccccc1 ZINC000153499562 728781300 /nfs/dbraw/zinc/78/13/00/728781300.db2.gz HHKDGJQXKYRYGF-GFCCVEGCSA-N 0 0 364.496 2.952 20 10 FFCDRN Cn1c(=O)oc2cc(NC(=O)NCCCSc3nccs3)ccc21 ZINC000153544727 728782664 /nfs/dbraw/zinc/78/26/64/728782664.db2.gz FQCBMJMFZXKOLY-UHFFFAOYSA-N 0 0 364.452 2.892 20 10 FFCDRN C[C@@H](NC(=O)NOCCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000154140062 728796816 /nfs/dbraw/zinc/79/68/16/728796816.db2.gz BMKUWZDELDGPPQ-GFCCVEGCSA-N 0 0 361.364 2.767 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H]1[C@H](O)C(F)(F)F ZINC000154577885 728807458 /nfs/dbraw/zinc/80/74/58/728807458.db2.gz WXCSRKHTHLEVBR-ZJUUUORDSA-N 0 0 369.434 2.723 20 10 FFCDRN Cc1ccc([C@@H](O)CNC(=O)NCCCSc2nccs2)cc1 ZINC000154607027 728808201 /nfs/dbraw/zinc/80/82/01/728808201.db2.gz NWHGMRKEEOHBOM-AWEZNQCLSA-N 0 0 351.497 2.967 20 10 FFCDRN Cc1noc([C@H]2CCCN(C(=O)NCCCSc3nccs3)C2)n1 ZINC000154625590 728808512 /nfs/dbraw/zinc/80/85/12/728808512.db2.gz ODTDCTRDXYGRFL-LBPRGKRZSA-N 0 0 367.500 2.906 20 10 FFCDRN C[C@@H]1CC(NC(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H](C)O1 ZINC000157649538 728874858 /nfs/dbraw/zinc/87/48/58/728874858.db2.gz VQPGGXDHEHRMHW-HUUCEWRRSA-N 0 0 363.527 2.995 20 10 FFCDRN COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1O ZINC000158578383 728890744 /nfs/dbraw/zinc/89/07/44/728890744.db2.gz KWMNKZCKSKKWNR-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN Cc1ccc2nc(CSCC(=O)NCc3ccc(O)c(O)c3)cn2c1 ZINC000159121008 728901340 /nfs/dbraw/zinc/90/13/40/728901340.db2.gz NIYWTHUGNSZHRA-UHFFFAOYSA-N 0 0 357.435 2.604 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(OC(F)F)c(F)c1 ZINC000162560500 728946134 /nfs/dbraw/zinc/94/61/34/728946134.db2.gz VXVWQWWXGIECDA-XYOKQWHBSA-N 0 0 358.341 2.730 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000743336832 735289571 /nfs/dbraw/zinc/28/95/71/735289571.db2.gz NXDPDRMMELEAJS-RYUDHWBXSA-N 0 0 352.431 2.881 20 10 FFCDRN Cn1cc([C@]2(C[NH2+]Cc3cccc(Br)c3[O-])CCCO2)cn1 ZINC000898057078 735308384 /nfs/dbraw/zinc/30/83/84/735308384.db2.gz BAWZQEKMKTYZCH-MRXNPFEDSA-N 0 0 366.259 2.684 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000898115248 735316117 /nfs/dbraw/zinc/31/61/17/735316117.db2.gz DRKKKJWIWLJHNW-CQSZACIVSA-N 0 0 356.260 2.891 20 10 FFCDRN NC(=O)[C@H](OC(=O)C1=CC(=O)CS1)c1ccc(Br)cc1F ZINC000745002990 735390541 /nfs/dbraw/zinc/39/05/41/735390541.db2.gz UBHYIPNRJITISA-LLVKDONJSA-N 0 0 374.187 2.739 20 10 FFCDRN C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898587963 735387644 /nfs/dbraw/zinc/38/76/44/735387644.db2.gz UHPBFAVYLVPWRQ-HFXCSBFXSA-N 0 0 353.465 2.732 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CC[S@@](=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000746010005 735457922 /nfs/dbraw/zinc/45/79/22/735457922.db2.gz XAOYAAJDZORVDK-QKFKETGDSA-N 0 0 350.871 2.998 20 10 FFCDRN Cc1nc(C)c(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000007097547 727789563 /nfs/dbraw/zinc/78/95/63/727789563.db2.gz IVTBEMSNMLMSSJ-UHFFFAOYSA-N 0 0 361.467 2.641 20 10 FFCDRN Cc1cc(CCNC(=O)CN2CCSC2=O)c(C)n1-c1ccccc1 ZINC000746424560 735482838 /nfs/dbraw/zinc/48/28/38/735482838.db2.gz MNMHETQMPQXQBN-UHFFFAOYSA-N 0 0 357.479 2.922 20 10 FFCDRN Cn1cc(/C=C\C(=O)N2CCN(CC(F)(F)F)c3ccccc32)cn1 ZINC000746531101 735491970 /nfs/dbraw/zinc/49/19/70/735491970.db2.gz LJTFVLWKBCFKBO-SREVYHEPSA-N 0 0 350.344 2.849 20 10 FFCDRN O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)OCC(=O)c1ccc(O)c(O)c1 ZINC000924328848 738403170 /nfs/dbraw/zinc/40/31/70/738403170.db2.gz QQYPTLLCWMXIGK-QMTHXVAHSA-N 0 0 362.300 2.714 20 10 FFCDRN CCN1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)SC1=S ZINC000060085408 728118557 /nfs/dbraw/zinc/11/85/57/728118557.db2.gz PIBRQZGSHZCCKX-SDQBBNPISA-N 0 0 352.393 2.587 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCc3ncc(C)s3)CC2)cc1 ZINC000075096345 728243830 /nfs/dbraw/zinc/24/38/30/728243830.db2.gz HGXOSNWLCYLUER-UHFFFAOYSA-N 0 0 360.483 2.928 20 10 FFCDRN CN1C(=O)C(=Cc2cc(Cl)ccc2Br)C(=O)N(C)C1=O ZINC000078691864 728301259 /nfs/dbraw/zinc/30/12/59/728301259.db2.gz CAVLMNYLXUBQPI-UHFFFAOYSA-N 0 0 357.591 2.536 20 10 FFCDRN COc1ccc(N2CCN(CC[S@](=O)c3ccccc3)CC2)cc1F ZINC000084866923 728426837 /nfs/dbraw/zinc/42/68/37/728426837.db2.gz OFWNSTLCPYPHPS-RUZDIDTESA-N 0 0 362.470 2.764 20 10 FFCDRN CCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000092734161 728470606 /nfs/dbraw/zinc/47/06/06/728470606.db2.gz JOTAUHVGSSGGRX-ZDUSSCGKSA-N 0 0 355.276 2.893 20 10 FFCDRN CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cccc(Br)c1[O-])CC2 ZINC000093613905 728476577 /nfs/dbraw/zinc/47/65/77/728476577.db2.gz CGAXNEPVHXVDBH-LSDHHAIUSA-N 0 0 370.287 2.907 20 10 FFCDRN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCCC[C@H]1C ZINC000094098867 728479617 /nfs/dbraw/zinc/47/96/17/728479617.db2.gz JJIKYDQHRYLAQH-DOMZBBRYSA-N 0 0 354.472 2.805 20 10 FFCDRN COc1cc(C(=O)NCCCSc2nccs2)ccc1[N+](=O)[O-] ZINC000114375622 728559942 /nfs/dbraw/zinc/55/99/42/728559942.db2.gz YWWODFHZZGSEQL-UHFFFAOYSA-N 0 0 353.425 2.972 20 10 FFCDRN CCC(CC)N1C[C@@H](C(=O)NCCCSc2nccs2)CC1=O ZINC000114375150 728560003 /nfs/dbraw/zinc/56/00/03/728560003.db2.gz OZEYQUKDJDDFFI-LBPRGKRZSA-N 0 0 355.529 2.779 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCCNC(=O)c1ccsc1 ZINC000115281115 728564891 /nfs/dbraw/zinc/56/48/91/728564891.db2.gz JXKCNEPGGWOBGY-UHFFFAOYSA-N 0 0 359.495 2.949 20 10 FFCDRN COC[C@H](C)S(=O)(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000117913195 728579903 /nfs/dbraw/zinc/57/99/03/728579903.db2.gz PVEILOWGAFCVPO-HNNXBMFYSA-N 0 0 354.516 2.910 20 10 FFCDRN COc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC(F)F ZINC000747148353 735538483 /nfs/dbraw/zinc/53/84/83/735538483.db2.gz WDHVUDQEZHPJDY-UKTHLTGXSA-N 0 0 370.377 2.599 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)[C@@H](CO)SC)cc1F ZINC000120313795 728609627 /nfs/dbraw/zinc/60/96/27/728609627.db2.gz JWMRDQPBXJHAMM-BLLLJJGKSA-N 0 0 357.495 2.584 20 10 FFCDRN COc1ccsc1S(=O)(=O)NCCCSc1nccs1 ZINC000120556280 728612549 /nfs/dbraw/zinc/61/25/49/728612549.db2.gz YYBRWKSNBWRHSX-UHFFFAOYSA-N 0 0 350.512 2.674 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C/c1cnn(C)c1 ZINC000120996998 728618708 /nfs/dbraw/zinc/61/87/08/728618708.db2.gz UGONAGOBMOBCEF-QPJJXVBHSA-N 0 0 364.243 2.950 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000124441631 728670786 /nfs/dbraw/zinc/67/07/86/728670786.db2.gz JJEFACVNQQXQFB-MRXNPFEDSA-N 0 0 360.483 2.930 20 10 FFCDRN CCC[C@](C)(O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000126973539 728705130 /nfs/dbraw/zinc/70/51/30/728705130.db2.gz OFXBUAXKBDUFDZ-UGSOOPFHSA-N 0 0 356.413 2.924 20 10 FFCDRN Cc1cc(C(=O)N(C)CCO)c(C)n1-c1ccc(Br)cc1 ZINC000128018501 728707885 /nfs/dbraw/zinc/70/78/85/728707885.db2.gz OMRLQKVMSSPXNR-UHFFFAOYSA-N 0 0 351.244 2.921 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc(Cl)n1 ZINC000130188592 728715771 /nfs/dbraw/zinc/71/57/71/728715771.db2.gz VXHIJJHQSLCMIL-UHFFFAOYSA-N 0 0 359.857 2.874 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@]1(O)CCc2ccccc21 ZINC000130870042 728720900 /nfs/dbraw/zinc/72/09/00/728720900.db2.gz PFSQWPIWNZIGAU-QGZVFWFLSA-N 0 0 363.508 2.759 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000134611090 728731403 /nfs/dbraw/zinc/73/14/03/728731403.db2.gz YANJSRQBFAPDDR-SECBINFHSA-N 0 0 366.776 2.576 20 10 FFCDRN Cc1cccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1Cl ZINC000134613905 728731428 /nfs/dbraw/zinc/73/14/28/728731428.db2.gz ZFENMHOBBRHSTM-NSHDSACASA-N 0 0 362.813 2.746 20 10 FFCDRN CCC[C@@H](C)CS(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000151259667 728744716 /nfs/dbraw/zinc/74/47/16/728744716.db2.gz SABQJYPJSMGSOJ-MRXNPFEDSA-N 0 0 368.543 2.751 20 10 FFCDRN CCN(CC(C)(C)O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000163715951 728960518 /nfs/dbraw/zinc/96/05/18/728960518.db2.gz JDTKUQFBEKPAFQ-UHFFFAOYSA-N 0 0 351.516 2.542 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@](O)(c2ccccc2)C(F)(F)F)c1 ZINC000170790726 728989246 /nfs/dbraw/zinc/98/92/46/728989246.db2.gz MRUKFBOXECWGNE-HNNXBMFYSA-N 0 0 356.300 2.840 20 10 FFCDRN CCn1cc(Br)cc1C(=O)NCc1cccc(OC)c1O ZINC000171487026 729005416 /nfs/dbraw/zinc/00/54/16/729005416.db2.gz UKDAKJCUBQZCST-UHFFFAOYSA-N 0 0 353.216 2.915 20 10 FFCDRN COc1ccc(N(CC(=O)Nc2nncs2)Cc2ccco2)cc1F ZINC000172653214 729029708 /nfs/dbraw/zinc/02/97/08/729029708.db2.gz RYKCXUXAOJZURK-UHFFFAOYSA-N 0 0 362.386 2.924 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccnc(OCC(F)(F)F)c2)c1 ZINC000173581720 729050823 /nfs/dbraw/zinc/05/08/23/729050823.db2.gz WSHYSCDXPASJKZ-UHFFFAOYSA-N 0 0 356.300 2.667 20 10 FFCDRN NC(=O)NC(=O)CNc1ccc(Cl)cc1C(=O)c1ccccc1Cl ZINC000176307107 729114021 /nfs/dbraw/zinc/11/40/21/729114021.db2.gz QSBIBBQAZVYGOR-UHFFFAOYSA-N 0 0 366.204 2.831 20 10 FFCDRN Cc1ccc(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(O)c1O ZINC000177682923 729143157 /nfs/dbraw/zinc/14/31/57/729143157.db2.gz BHIKBZXESRXJIX-CYBMUJFWSA-N 0 0 355.312 2.888 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c(O)c1O ZINC000179511925 729187768 /nfs/dbraw/zinc/18/77/68/729187768.db2.gz QOFWCHDDTKMJRF-CQSZACIVSA-N 0 0 360.797 2.595 20 10 FFCDRN O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2ccccc2O)CC1 ZINC000179552563 729188786 /nfs/dbraw/zinc/18/87/86/729188786.db2.gz XNDNOFGWVHGUCZ-UHFFFAOYSA-N 0 0 366.870 2.552 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000179830918 729196791 /nfs/dbraw/zinc/19/67/91/729196791.db2.gz BFMIIHLLJFSLRA-UHFFFAOYSA-N 0 0 354.740 2.921 20 10 FFCDRN CC(C)(O)[C@@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000185503378 729350649 /nfs/dbraw/zinc/35/06/49/729350649.db2.gz FKICTUBQOOGMJH-KRWDZBQOSA-N 0 0 363.527 2.685 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCCc1ccsc1 ZINC000192731120 729457588 /nfs/dbraw/zinc/45/75/88/729457588.db2.gz BBDIEHHAZWSTJK-UHFFFAOYSA-N 0 0 359.495 2.969 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 ZINC000193957847 729495506 /nfs/dbraw/zinc/49/55/06/729495506.db2.gz DQVOLRDGKOYYGP-REFGNXHDSA-N 0 0 366.414 2.727 20 10 FFCDRN Cc1cc(C(=O)NC2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1C ZINC000194514745 729512558 /nfs/dbraw/zinc/51/25/58/729512558.db2.gz REYOWPLUNUGAFJ-UHFFFAOYSA-N 0 0 360.479 2.710 20 10 FFCDRN CSC1(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000194911372 729524673 /nfs/dbraw/zinc/52/46/73/729524673.db2.gz WSAAAMFLMVUTIE-UHFFFAOYSA-N 0 0 363.527 2.590 20 10 FFCDRN COc1ccc(C)cc1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000195194510 729531947 /nfs/dbraw/zinc/53/19/47/729531947.db2.gz QXNVZPYCZFNRIS-UHFFFAOYSA-N 0 0 352.431 2.687 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC1CCSCC1 ZINC000195473256 729539559 /nfs/dbraw/zinc/53/95/59/729539559.db2.gz MZBIRFTXOQXOQC-UHFFFAOYSA-N 0 0 351.541 2.935 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2nn(C)cc2Br)cc1 ZINC000292493376 729720098 /nfs/dbraw/zinc/72/00/98/729720098.db2.gz ALDRGBSBERCIRM-UHFFFAOYSA-N 0 0 365.275 2.959 20 10 FFCDRN C[C@@H](C[C@H]1CCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761447827 736735986 /nfs/dbraw/zinc/73/59/86/736735986.db2.gz KNPBYWIQBVHKFT-NWDGAFQWSA-N 0 0 352.818 2.625 20 10 FFCDRN Cc1nc(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(C)s1 ZINC000856211960 730316102 /nfs/dbraw/zinc/31/61/02/730316102.db2.gz DVSUCTKMSUHZHG-UHFFFAOYSA-N 0 0 359.495 2.580 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ncc(C(=O)OC)s1 ZINC000924966030 738466397 /nfs/dbraw/zinc/46/63/97/738466397.db2.gz LYPSXZHACCHNQP-UHFFFAOYSA-N 0 0 363.439 2.757 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCc2cccnc2OCC(F)F)c1 ZINC000858332465 730423019 /nfs/dbraw/zinc/42/30/19/730423019.db2.gz IWQGKXYTOANOSY-UHFFFAOYSA-N 0 0 351.353 2.739 20 10 FFCDRN CC1(C)C(c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)C1(C)C ZINC000858845521 730434781 /nfs/dbraw/zinc/43/47/81/730434781.db2.gz JZPBGLHCEWFGMD-UHFFFAOYSA-N 0 0 351.428 2.963 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000858910536 730436431 /nfs/dbraw/zinc/43/64/31/730436431.db2.gz VQKBMJOVWJSOAD-WCQYABFASA-N 0 0 355.232 2.521 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)[C@H]2COC(C)(C)C2)cc1 ZINC000858914559 730436563 /nfs/dbraw/zinc/43/65/63/730436563.db2.gz YTSZSPMFPSMOMB-QGZVFWFLSA-N 0 0 352.500 2.614 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccns3)CC2)cc1F ZINC000858961018 730438125 /nfs/dbraw/zinc/43/81/25/730438125.db2.gz KCJQLOMLVDVOEZ-LBPRGKRZSA-N 0 0 364.446 2.884 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)OCCOC3CCOCC3)cs2)cc1 ZINC000859633245 730461386 /nfs/dbraw/zinc/46/13/86/730461386.db2.gz XDBQDHBDNVWMCT-UHFFFAOYSA-N 0 0 362.451 2.669 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@@H](C)[S@](C)=O)c1 ZINC000860203102 730486996 /nfs/dbraw/zinc/48/69/96/730486996.db2.gz WTGSORWMWZLOST-PWECECGKSA-N 0 0 360.479 2.794 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2noc(C)n2)c1O ZINC000779634386 738473589 /nfs/dbraw/zinc/47/35/89/738473589.db2.gz XXILPAJDSOCLLE-CQSZACIVSA-N 0 0 351.790 2.513 20 10 FFCDRN CN(C)c1ccc(CNc2ncc(I)cn2)cc1F ZINC000766063962 737189286 /nfs/dbraw/zinc/18/92/86/737189286.db2.gz HGCSCCBGHLHMIC-UHFFFAOYSA-N 0 0 372.185 2.898 20 10 FFCDRN Cc1cc(CN2CCN(Cc3c(O)cccc3Br)CC2)on1 ZINC000862217039 730676979 /nfs/dbraw/zinc/67/69/79/730676979.db2.gz SUVLJLRSOYSJFH-UHFFFAOYSA-N 0 0 366.259 2.769 20 10 FFCDRN CCOC(=O)[C@@H]1CSCCN1Cc1c(O)cccc1Br ZINC000862216111 730677050 /nfs/dbraw/zinc/67/70/50/730677050.db2.gz RQMCTOSBRAWUSB-LBPRGKRZSA-N 0 0 360.273 2.635 20 10 FFCDRN O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1c(O)cccc1Br ZINC000862337084 730689827 /nfs/dbraw/zinc/68/98/27/730689827.db2.gz QITNBMGLTFYUQA-RISCZKNCSA-N 0 0 354.244 2.725 20 10 FFCDRN CC[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@]2(CCOC2)O1 ZINC000862352119 730690813 /nfs/dbraw/zinc/69/08/13/730690813.db2.gz ZRBRAZSJJVEACM-MLGOLLRUSA-N 0 0 356.260 2.925 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)c1 ZINC000862759914 730723966 /nfs/dbraw/zinc/72/39/66/730723966.db2.gz MZMBGLHCPWNGEN-INIZCTEOSA-N 0 0 356.447 2.532 20 10 FFCDRN COc1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC1CC1 ZINC000863181845 730754038 /nfs/dbraw/zinc/75/40/38/730754038.db2.gz SRVVXONKYHSUSI-LFIBNONCSA-N 0 0 360.435 2.539 20 10 FFCDRN COc1ccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)cc1C(C)(C)C ZINC000864354835 730841005 /nfs/dbraw/zinc/84/10/05/730841005.db2.gz CCQLZAMMIDWMKA-JYRVWZFOSA-N 0 0 364.492 2.679 20 10 FFCDRN CS(=O)(=O)N1CCN(Cc2cc(Cl)ccc2O)Cc2ccccc21 ZINC000770378346 737620285 /nfs/dbraw/zinc/62/02/85/737620285.db2.gz DKOWRQANDLUJKN-UHFFFAOYSA-N 0 0 366.870 2.827 20 10 FFCDRN Cc1cc(CNC(=S)N(Cc2ccccc2O)C[C@@H]2CCCO2)no1 ZINC000865226922 730925372 /nfs/dbraw/zinc/92/53/72/730925372.db2.gz GPFMOIRTCBVFOU-INIZCTEOSA-N 0 0 361.467 2.744 20 10 FFCDRN COC(=O)c1cc(OCc2cccc(S(C)(=O)=O)c2)ccc1N(C)C ZINC000865395399 730949810 /nfs/dbraw/zinc/94/98/10/730949810.db2.gz PRYNPFRCPXRTFQ-UHFFFAOYSA-N 0 0 363.435 2.522 20 10 FFCDRN COC(=O)c1cc(OCc2ccc(S(C)(=O)=O)cc2)ccc1N(C)C ZINC000865394897 730949850 /nfs/dbraw/zinc/94/98/50/730949850.db2.gz DTJUZQOQNHBBLB-UHFFFAOYSA-N 0 0 363.435 2.522 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000865780612 730996844 /nfs/dbraw/zinc/99/68/44/730996844.db2.gz OFHKLFHQUQLADK-CYBMUJFWSA-N 0 0 356.260 2.830 20 10 FFCDRN C[C@@H]1C[C@H]1c1noc(C(=O)NCc2cccc(Br)c2O)n1 ZINC000865984427 731018704 /nfs/dbraw/zinc/01/87/04/731018704.db2.gz GZMYFNKETXYJNZ-VXNVDRBHSA-N 0 0 352.188 2.591 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3ncc(C)s3)CC2)c(OC)c1 ZINC000866127970 731033212 /nfs/dbraw/zinc/03/32/12/731033212.db2.gz QMEBVRGVAYKVCA-UHFFFAOYSA-N 0 0 362.455 2.823 20 10 FFCDRN Cc1cc(Cc2nc(CCS(C)(=O)=O)no2)c(C)n1-c1ccccc1 ZINC000867123306 731146631 /nfs/dbraw/zinc/14/66/31/731146631.db2.gz ZYKPRIKDICAXMV-UHFFFAOYSA-N 0 0 359.451 2.655 20 10 FFCDRN CC1CCC(S(=O)(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000867531614 731196351 /nfs/dbraw/zinc/19/63/51/731196351.db2.gz GMJDZDFKUKAUEO-UHFFFAOYSA-N 0 0 366.527 2.646 20 10 FFCDRN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000867834089 731232179 /nfs/dbraw/zinc/23/21/79/731232179.db2.gz KSPAQVGVSFIKEN-WDEREUQCSA-N 0 0 368.480 2.690 20 10 FFCDRN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)s1 ZINC000867834085 731232224 /nfs/dbraw/zinc/23/22/24/731232224.db2.gz KSPAQVGVSFIKEN-MNOVXSKESA-N 0 0 368.480 2.690 20 10 FFCDRN O=C(NCC[C@@H]1CCSC1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000868824997 731334611 /nfs/dbraw/zinc/33/46/11/731334611.db2.gz SVTLDIPVZGNCPG-MRXNPFEDSA-N 0 0 363.527 2.590 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccnc3Cl)CC2)c(OC)c1 ZINC000870162288 731477041 /nfs/dbraw/zinc/47/70/41/731477041.db2.gz DQOJQNKMFILDPC-UHFFFAOYSA-N 0 0 361.829 2.715 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccnc(Cl)c3)CC2)c(OC)c1 ZINC000870162102 731477312 /nfs/dbraw/zinc/47/73/12/731477312.db2.gz BHXILGGNSHHPBF-UHFFFAOYSA-N 0 0 361.829 2.715 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(F)s3)CC2)c(OC)c1 ZINC000870166674 731478293 /nfs/dbraw/zinc/47/82/93/731478293.db2.gz SNVSWNMRMQPNQJ-UHFFFAOYSA-N 0 0 350.415 2.867 20 10 FFCDRN O=C(Cc1cccs1)N1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871201372 731605671 /nfs/dbraw/zinc/60/56/71/731605671.db2.gz UMVFKFVNRNQONX-MRXNPFEDSA-N 0 0 356.447 2.530 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@](F)(C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203722 731605993 /nfs/dbraw/zinc/60/59/93/731605993.db2.gz QYPSNTFZIKLCHE-GOSISDBHSA-N 0 0 350.390 2.584 20 10 FFCDRN CC(C)Nc1ccccc1NCC(=O)Nc1cccc(S(C)(=O)=O)c1 ZINC000871847382 731689152 /nfs/dbraw/zinc/68/91/52/731689152.db2.gz QRJZPFYTSIZKOT-UHFFFAOYSA-N 0 0 361.467 2.961 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CCO[C@H](C(F)F)CC3)cs2)cc1 ZINC000872269304 731747134 /nfs/dbraw/zinc/74/71/34/731747134.db2.gz PXOQGSBEZUURPY-AWEZNQCLSA-N 0 0 367.421 2.812 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1COC[C@@H]1C ZINC000926003913 738556383 /nfs/dbraw/zinc/55/63/83/738556383.db2.gz OQWWNEXODNNCRI-GXFFZTMASA-N 0 0 357.248 2.721 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)C(=O)Nc1ccc2c(n1)CCCC2 ZINC000873934645 731985484 /nfs/dbraw/zinc/98/54/84/731985484.db2.gz PTJSWSGADXTXLT-UHFFFAOYSA-N 0 0 359.813 2.574 20 10 FFCDRN C[C@H](NC(=O)C(=O)N[C@H](C1CCCC1)C(F)(F)F)c1ccccc1O ZINC000874191649 732023688 /nfs/dbraw/zinc/02/36/88/732023688.db2.gz KIBBDGOOZGINEA-IINYFYTJSA-N 0 0 358.360 2.807 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)C3(Br)CC3)CC2)cc1 ZINC000874278671 732034624 /nfs/dbraw/zinc/03/46/24/732034624.db2.gz GNNWSGXGAJYGLZ-UHFFFAOYSA-N 0 0 353.260 2.708 20 10 FFCDRN CC[C@H](C[C@H](C)O)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000875101545 732128038 /nfs/dbraw/zinc/12/80/38/732128038.db2.gz BRIGXFRRVKSRAD-GOEBONIOSA-N 0 0 351.516 2.589 20 10 FFCDRN C[C@@H](NC(=O)N[C@H](CS(C)(=O)=O)c1ccccc1)c1ccccc1O ZINC000875454274 732156942 /nfs/dbraw/zinc/15/69/42/732156942.db2.gz VPAMCGXPRXNSEY-CZUORRHYSA-N 0 0 362.451 2.538 20 10 FFCDRN CN(Cc1nccn1C(F)F)Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876585003 732259292 /nfs/dbraw/zinc/25/92/92/732259292.db2.gz VUKDKZFNFRHAAR-UHFFFAOYSA-N 0 0 350.413 2.871 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](CO)c2ccc(Br)cc2)c(O)c1O ZINC000781014316 738593563 /nfs/dbraw/zinc/59/35/63/738593563.db2.gz IVKFYDVLDMWSEL-CYBMUJFWSA-N 0 0 366.211 2.632 20 10 FFCDRN CCN(CC)c1ccc(CNCc2ccc(S(N)(=O)=O)s2)cc1F ZINC000877027875 732314881 /nfs/dbraw/zinc/31/48/81/732314881.db2.gz UNQGLDHUCREGGZ-UHFFFAOYSA-N 0 0 371.503 2.671 20 10 FFCDRN COc1cccc(CNC(=O)NCC[C@H]2CC[C@@H](C(F)(F)F)O2)c1O ZINC000926312981 738598662 /nfs/dbraw/zinc/59/86/62/738598662.db2.gz LXFHAQFYDJEHFN-YPMHNXCESA-N 0 0 362.348 2.700 20 10 FFCDRN COC(=O)[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1cccs1 ZINC000877471089 732367175 /nfs/dbraw/zinc/36/71/75/732367175.db2.gz OKGIZFBXSJOLAU-GOSISDBHSA-N 0 0 360.479 2.713 20 10 FFCDRN CSc1nccnc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000878292452 732509928 /nfs/dbraw/zinc/50/99/28/732509928.db2.gz JYTVUYWRCVTYDB-UHFFFAOYSA-N 0 0 360.508 2.682 20 10 FFCDRN Cn1c2ccc(OC[C@H]3CCN(S(C)(=O)=O)C3)cc2c2c1CCCC2 ZINC000664104506 732537770 /nfs/dbraw/zinc/53/77/70/732537770.db2.gz JOFQLISWUQLGLA-AWEZNQCLSA-N 0 0 362.495 2.717 20 10 FFCDRN Cn1nc2c(c1C(=O)NCc1ccc3c(c1)CCCN3C)CSCC2 ZINC000878535464 732549405 /nfs/dbraw/zinc/54/94/05/732549405.db2.gz VAAZRTVVZJOYHD-UHFFFAOYSA-N 0 0 356.495 2.522 20 10 FFCDRN C[C@H](NC(=O)Nc1cccn(CC(F)(F)F)c1=O)c1ccccc1O ZINC000878912472 732613685 /nfs/dbraw/zinc/61/36/85/732613685.db2.gz FLSBYAQUKOPKSO-JTQLQIEISA-N 0 0 355.316 2.999 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCn3cnc(C(F)(F)F)c3C2)c1O ZINC000880269308 732877308 /nfs/dbraw/zinc/87/73/08/732877308.db2.gz DMTKAESBFYGCDQ-UHFFFAOYSA-N 0 0 357.307 2.965 20 10 FFCDRN C[C@@H]([NH2+]CCc1ccccc1S(C)(=O)=O)c1cc(F)cc(F)c1[O-] ZINC000926905420 738666978 /nfs/dbraw/zinc/66/69/78/738666978.db2.gz BLUBDRXMZAYWFX-LLVKDONJSA-N 0 0 355.406 2.967 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(CCC(N)=O)CC2)c1 ZINC000781913370 738672044 /nfs/dbraw/zinc/67/20/44/738672044.db2.gz SPZWXCVMKSENPJ-UHFFFAOYSA-N 0 0 355.276 2.941 20 10 FFCDRN O=[N+]([O-])c1c(F)nccc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000881824800 733115139 /nfs/dbraw/zinc/11/51/39/733115139.db2.gz VODSQXUTEGMRFT-UHFFFAOYSA-N 0 0 350.325 2.717 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)[C@@H]2CCOC[C@H]2C)cc1F ZINC000881873437 733124816 /nfs/dbraw/zinc/12/48/16/733124816.db2.gz AGIAZLVYSRMWGU-CXAGYDPISA-N 0 0 358.479 2.516 20 10 FFCDRN CC1(C)[C@H](CS(=O)(=O)NCCCSc2nccs2)C1(F)F ZINC000881887108 733127721 /nfs/dbraw/zinc/12/77/21/733127721.db2.gz MLKYUKDCALIKSN-VIFPVBQESA-N 0 0 356.485 2.836 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@H]1CCCS1(=O)=O ZINC000881893878 733129870 /nfs/dbraw/zinc/12/98/70/733129870.db2.gz VRBHRHUFFMLHTG-CQSZACIVSA-N 0 0 366.508 2.853 20 10 FFCDRN COC[C@H](CS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1)OC ZINC000881912977 733135271 /nfs/dbraw/zinc/13/52/71/733135271.db2.gz PLKJWZZIAODPIS-QGZVFWFLSA-N 0 0 371.499 2.518 20 10 FFCDRN CC1(CS(=O)(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCC1 ZINC000881914841 733135307 /nfs/dbraw/zinc/13/53/07/733135307.db2.gz UWARPYHSUQXOIT-UHFFFAOYSA-N 0 0 366.527 2.505 20 10 FFCDRN COC(=O)c1cnc(SC[C@H](O)c2cc(Br)no2)s1 ZINC000882174715 733183662 /nfs/dbraw/zinc/18/36/62/733183662.db2.gz XIABWMSFTDGLNC-YFKPBYRVSA-N 0 0 365.230 2.506 20 10 FFCDRN CC(C)(CCS(C)(=O)=O)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883023183 733322730 /nfs/dbraw/zinc/32/27/30/733322730.db2.gz NZASRCQCHUOJCF-UHFFFAOYSA-N 0 0 368.268 2.597 20 10 FFCDRN O=S(=O)(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccco1 ZINC000782466961 738724035 /nfs/dbraw/zinc/72/40/35/738724035.db2.gz FSTCPDBJAXFYJK-AWEZNQCLSA-N 0 0 370.858 2.582 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N3C[C@@H]4CSC[C@@H]4C3)C2)cc1 ZINC000884425347 733523341 /nfs/dbraw/zinc/52/33/41/733523341.db2.gz FMMPKXJWJACLJO-OAGGEKHMSA-N 0 0 361.511 2.526 20 10 FFCDRN CSc1cncc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 ZINC000884693735 733550270 /nfs/dbraw/zinc/55/02/70/733550270.db2.gz MMTNNBCMSGZLHP-UHFFFAOYSA-N 0 0 357.483 2.512 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)C3=CC(=O)CS3)C[C@@H]2C1 ZINC000884833564 733579241 /nfs/dbraw/zinc/57/92/41/733579241.db2.gz IHRUSHJPGIPYGQ-NEPJUHHUSA-N 0 0 352.456 2.783 20 10 FFCDRN CSc1nnc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000782612370 738738316 /nfs/dbraw/zinc/73/83/16/738738316.db2.gz AOLRBODHXHCDKS-JTQLQIEISA-N 0 0 351.501 2.886 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886511508 733799454 /nfs/dbraw/zinc/79/94/54/733799454.db2.gz VTHZTHATRCLBJT-NEPJUHHUSA-N 0 0 352.431 2.851 20 10 FFCDRN CC[C@@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1cc(Cl)cc(Cl)c1[O-] ZINC000886704709 733820477 /nfs/dbraw/zinc/82/04/77/733820477.db2.gz MYFICMVUBHKMHQ-LLVKDONJSA-N 0 0 368.224 2.671 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cc(Cl)cc2c1OCC2 ZINC000782887568 738762128 /nfs/dbraw/zinc/76/21/28/738762128.db2.gz NCMLPXGGCPNKRE-UKTHLTGXSA-N 0 0 350.827 2.577 20 10 FFCDRN CCNC(=O)c1cc(NC(=O)NCc2ccc(OC)cc2O)c(C)s1 ZINC000889407936 734173064 /nfs/dbraw/zinc/17/30/64/734173064.db2.gz LHKUMGNIAGRYBD-UHFFFAOYSA-N 0 0 363.439 2.842 20 10 FFCDRN Cc1ncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000783316807 738799566 /nfs/dbraw/zinc/79/95/66/738799566.db2.gz NCDXONDRKNSPGT-UHFFFAOYSA-N 0 0 360.483 2.893 20 10 FFCDRN CC[C@H]1c2ccccc2CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000890612201 734323886 /nfs/dbraw/zinc/32/38/86/734323886.db2.gz JMEMDEGTULSVIV-INIZCTEOSA-N 0 0 360.435 2.871 20 10 FFCDRN CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890757481 734336387 /nfs/dbraw/zinc/33/63/87/734336387.db2.gz FGOYQYQDPXAJQT-CYBMUJFWSA-N 0 0 352.862 2.947 20 10 FFCDRN CCOC(Cn1cc(C(=O)NCc2cccc(Cl)c2O)cn1)OCC ZINC000890761393 734337321 /nfs/dbraw/zinc/33/73/21/734337321.db2.gz QFFZDJMGVGOHFM-UHFFFAOYSA-N 0 0 367.833 2.571 20 10 FFCDRN CNC(=O)[C@]1(C)CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708210881 734362890 /nfs/dbraw/zinc/36/28/90/734362890.db2.gz IHSBJSQOOSXWSO-CQSZACIVSA-N 0 0 361.667 2.766 20 10 FFCDRN CCOCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726610654 734436855 /nfs/dbraw/zinc/43/68/55/734436855.db2.gz LYVRBOOJWMCEKE-UHFFFAOYSA-N 0 0 357.401 2.593 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCc3csc(C)n3)CC2)cc1 ZINC000726611341 734436908 /nfs/dbraw/zinc/43/69/08/734436908.db2.gz QKEAQUINRVRWRA-UHFFFAOYSA-N 0 0 360.483 2.928 20 10 FFCDRN CN(Cc1nc(Br)c[nH]1)Cc1ccc(N2CCOCC2)cc1 ZINC000891527823 734440978 /nfs/dbraw/zinc/44/09/78/734440978.db2.gz ZNASVKNUNQUMKJ-UHFFFAOYSA-N 0 0 365.275 2.641 20 10 FFCDRN COC(=O)c1ccc(/C=C2/N=C(C3=S=C4CCCCC4=C3)OC2=O)o1 ZINC000726750300 734443068 /nfs/dbraw/zinc/44/30/68/734443068.db2.gz QQNMOLNYOLGBDA-FMIVXFBMSA-N 0 0 357.387 2.954 20 10 FFCDRN COc1cc(F)c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c(F)c1 ZINC000726792502 734445332 /nfs/dbraw/zinc/44/53/32/734445332.db2.gz ABDISYIULGNELU-UHFFFAOYSA-N 0 0 356.394 2.518 20 10 FFCDRN Cc1ccc(C(=O)OCCCS(=O)(=O)c2ccc(F)cc2)c(O)c1O ZINC000727004820 734459433 /nfs/dbraw/zinc/45/94/33/734459433.db2.gz VFDOWYBSDXPUQJ-UHFFFAOYSA-N 0 0 368.382 2.566 20 10 FFCDRN COCCS(=O)(=O)CCCSc1ncc(-c2ccccc2)n1C ZINC000727689969 734494822 /nfs/dbraw/zinc/49/48/22/734494822.db2.gz GDGWIQOXZHLFKK-UHFFFAOYSA-N 0 0 354.497 2.631 20 10 FFCDRN O=C(CNc1cccc(Cl)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000727755673 734499739 /nfs/dbraw/zinc/49/97/39/734499739.db2.gz AZYBXCBLGLMYEF-UHFFFAOYSA-N 0 0 359.857 2.905 20 10 FFCDRN CNC(=O)c1cc(NC(=O)NCc2cccc(OC)c2O)ccc1Cl ZINC000729557832 734584407 /nfs/dbraw/zinc/58/44/07/734584407.db2.gz BIKBGXYPTBOYKX-UHFFFAOYSA-N 0 0 363.801 2.736 20 10 FFCDRN COC(=O)c1ccc2[nH]c3c(c2c1)CN(C(=O)C1=CC(=O)CS1)CC3 ZINC000731868511 734701994 /nfs/dbraw/zinc/70/19/94/734701994.db2.gz HBVAVEKHXKQSHR-UHFFFAOYSA-N 0 0 356.403 2.920 20 10 FFCDRN O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)C1=CC(=O)CS1 ZINC000731871451 734702514 /nfs/dbraw/zinc/70/25/14/734702514.db2.gz LDOLNUVJMDEBMY-VIFPVBQESA-N 0 0 362.234 2.930 20 10 FFCDRN COC(=O)CN(Cc1ccoc1C(=O)OC)Cc1cc(Cl)ccc1O ZINC000732202832 734723471 /nfs/dbraw/zinc/72/34/71/734723471.db2.gz GHIDLHMGGIVCNZ-UHFFFAOYSA-N 0 0 367.785 2.600 20 10 FFCDRN Cc1c(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)cccc1[N+](=O)[O-] ZINC000732354840 734736956 /nfs/dbraw/zinc/73/69/56/734736956.db2.gz SYCRWFQAEKQNQU-VIFPVBQESA-N 0 0 350.352 2.854 20 10 FFCDRN CCN(Cc1nc(Br)nn1C)Cc1ccc(N(C)C)cc1 ZINC000893871753 734765629 /nfs/dbraw/zinc/76/56/29/734765629.db2.gz NWVBZMYJIXSEDK-UHFFFAOYSA-N 0 0 352.280 2.666 20 10 FFCDRN O=C1CCCN1C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894003002 734785324 /nfs/dbraw/zinc/78/53/24/734785324.db2.gz ZSLIPBKNGSRNCN-UHFFFAOYSA-N 0 0 371.250 2.881 20 10 FFCDRN CN(CCCNC(=S)Nc1ccc2c(c1)CC(=O)N2)c1ccccc1 ZINC000733750562 734846558 /nfs/dbraw/zinc/84/65/58/734846558.db2.gz DOTIJTDCQBJBDX-UHFFFAOYSA-N 0 0 354.479 2.994 20 10 FFCDRN O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc(O)c(O)c1 ZINC000784020015 738855764 /nfs/dbraw/zinc/85/57/64/738855764.db2.gz XFVWMCNGYHNRDY-UHFFFAOYSA-N 0 0 351.698 2.699 20 10 FFCDRN O=C(COc1ccccc1[N+](=O)[O-])NCCCSc1nccs1 ZINC000733972341 734864535 /nfs/dbraw/zinc/86/45/35/734864535.db2.gz DNAFEIQIISXVJS-UHFFFAOYSA-N 0 0 353.425 2.729 20 10 FFCDRN C[C@H]1C[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CO1 ZINC000784097222 738860967 /nfs/dbraw/zinc/86/09/67/738860967.db2.gz WQSSKJZXYXSWOM-QWHCGFSZSA-N 0 0 354.397 2.798 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCCCS2(=O)=O)cc1 ZINC000784117548 738862356 /nfs/dbraw/zinc/86/23/56/738862356.db2.gz HXAWGNXKSUHHDB-SFHVURJKSA-N 0 0 360.479 2.791 20 10 FFCDRN O=C1CC[C@H]2C[N@H+](Cc3cc(Cl)cc(Br)c3[O-])CC[C@H]2N1 ZINC000895258129 734982194 /nfs/dbraw/zinc/98/21/94/734982194.db2.gz BPENHWJONXLBNX-TVQRCGJNSA-N 0 0 373.678 2.909 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cncc(F)c1Cl ZINC000895494302 735015862 /nfs/dbraw/zinc/01/58/62/735015862.db2.gz DRHGBZKSIPRXTL-UHFFFAOYSA-N 0 0 363.820 2.983 20 10 FFCDRN CC(C)N1C(=S)N=NC1CCNC(=O)NCc1cccc(Cl)c1O ZINC000895674974 735039363 /nfs/dbraw/zinc/03/93/63/735039363.db2.gz OITOHMOGLLWJSK-UHFFFAOYSA-N 0 0 369.878 2.549 20 10 FFCDRN CC[C@H](C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000739962692 735063753 /nfs/dbraw/zinc/06/37/53/735063753.db2.gz OFRJBAZJNGFDPC-BBRMVZONSA-N 0 0 374.934 2.976 20 10 FFCDRN C[C@H]1CSCCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000895875852 735068425 /nfs/dbraw/zinc/06/84/25/735068425.db2.gz ABBPVHBQGDMRSQ-HNNXBMFYSA-N 0 0 363.527 2.685 20 10 FFCDRN Cn1nnc2cc(/C=C3\SC(=S)N(c4cccnc4)C3=O)ccc21 ZINC000740665655 735081191 /nfs/dbraw/zinc/08/11/91/735081191.db2.gz ISJCQQWYSQNBPB-ZSOIEALJSA-N 0 0 353.432 2.769 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3nc(C)ncc3Cl)CC2)cc1 ZINC000740741238 735084005 /nfs/dbraw/zinc/08/40/05/735084005.db2.gz SZEVLTFPBZFGTR-UHFFFAOYSA-N 0 0 360.845 2.800 20 10 FFCDRN C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)NCc1cccc(Cl)c1O)O2 ZINC000896522640 735172787 /nfs/dbraw/zinc/17/27/87/735172787.db2.gz KQAHOCFORNQFBC-AZGFTEDZSA-N 0 0 368.861 2.817 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnsn1 ZINC000742800369 735256854 /nfs/dbraw/zinc/25/68/54/735256854.db2.gz JKTFFHSRKMPRCB-SNVBAGLBSA-N 0 0 354.382 2.538 20 10 FFCDRN Cc1ccc(C2N=NC(=S)N2CC(=O)NCc2ccccc2O)cc1 ZINC000748350590 735637265 /nfs/dbraw/zinc/63/72/65/735637265.db2.gz WNELRWJPSRSGKP-UHFFFAOYSA-N 0 0 354.435 2.564 20 10 FFCDRN CC[C@H](O)[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000900867828 735709818 /nfs/dbraw/zinc/70/98/18/735709818.db2.gz OSRXZSMKZCAVDN-XEZPLFJOSA-N 0 0 356.413 2.780 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cn(CC(C)C)cn2)cc1 ZINC000749285588 735711016 /nfs/dbraw/zinc/71/10/16/735711016.db2.gz LUQYFCYQEBGXJA-UHFFFAOYSA-N 0 0 364.515 2.864 20 10 FFCDRN CCC[C@H](O)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000750233565 735778002 /nfs/dbraw/zinc/77/80/02/735778002.db2.gz NZXHJHBXMJNLEO-DZKIICNBSA-N 0 0 352.450 2.607 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccc(OC(C)C)c(C)c2)c1O ZINC000751305151 735862588 /nfs/dbraw/zinc/86/25/88/735862588.db2.gz KAHZUHLJQGTFJI-UHFFFAOYSA-N 0 0 365.451 2.975 20 10 FFCDRN CCOc1ccc(S(=O)(=O)NCc2cc(OC)ccc2O)cc1C ZINC000751415563 735871851 /nfs/dbraw/zinc/87/18/51/735871851.db2.gz SJMSHLICLRWFDI-UHFFFAOYSA-N 0 0 351.424 2.586 20 10 FFCDRN Cc1ccsc1[C@H](CO)NC(=O)NCc1ccc2c(c1)CCCN2C ZINC000752913623 736022591 /nfs/dbraw/zinc/02/25/91/736022591.db2.gz OACFZYARHLEVSR-INIZCTEOSA-N 0 0 359.495 2.972 20 10 FFCDRN COc1cccc(CNC(=O)NCCc2ccc(F)c(F)c2F)c1O ZINC000753283289 736051915 /nfs/dbraw/zinc/05/19/15/736051915.db2.gz PDRVDBGDWSRXFM-UHFFFAOYSA-N 0 0 354.328 2.860 20 10 FFCDRN Cn1c(=O)oc2c1cccc2NC(=O)NCCCSc1nccs1 ZINC000753353524 736058834 /nfs/dbraw/zinc/05/88/34/736058834.db2.gz FSNJQMQJRKMCAG-UHFFFAOYSA-N 0 0 364.452 2.892 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)N(C)CC3)cc1 ZINC000753365616 736059861 /nfs/dbraw/zinc/05/98/61/736059861.db2.gz GFLNAULMGJUQFR-UHFFFAOYSA-N 0 0 359.495 2.566 20 10 FFCDRN COc1nn(C)cc1C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000903337353 736077238 /nfs/dbraw/zinc/07/72/38/736077238.db2.gz IQENFPJHXQTDQK-MRVPVSSYSA-N 0 0 358.211 2.887 20 10 FFCDRN COCc1nc(NCc2ccc(N3CCSCC3)cc2)cc(OC)n1 ZINC000753549193 736077355 /nfs/dbraw/zinc/07/73/55/736077355.db2.gz LOIXZIHEFKYAJE-UHFFFAOYSA-N 0 0 360.483 2.797 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@H](CO)C[C@H](O)c1ccccc1 ZINC000754079903 736122795 /nfs/dbraw/zinc/12/27/95/736122795.db2.gz LIMXXSYSPQESFS-HOCLYGCPSA-N 0 0 366.255 2.729 20 10 FFCDRN [NH3+][C@@H]1CN(Cc2cccc(Br)c2[O-])CC[C@H]1C(F)(F)F ZINC000903982657 736199559 /nfs/dbraw/zinc/19/95/59/736199559.db2.gz TXCJPBVTTFCEFR-MWLCHTKSSA-N 0 0 353.182 2.866 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C(F)(F)c3nccs3)CC2)cc1 ZINC000756447086 736331954 /nfs/dbraw/zinc/33/19/54/736331954.db2.gz MYOWODQPYCVBCM-UHFFFAOYSA-N 0 0 367.421 2.982 20 10 FFCDRN CC(C)COC[C@H](O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756460735 736333355 /nfs/dbraw/zinc/33/33/55/736333355.db2.gz SVAYXWFNAHQMCS-GHMZBOCLSA-N 0 0 364.255 2.978 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756481979 736335405 /nfs/dbraw/zinc/33/54/05/736335405.db2.gz ZEVONWHCGXCKAD-GFCCVEGCSA-N 0 0 370.421 2.608 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H](O)C(Cl)(Cl)Cl)cc1 ZINC000905447990 736341948 /nfs/dbraw/zinc/34/19/48/736341948.db2.gz KJPUJOQZZMGCOS-GFCCVEGCSA-N 0 0 353.677 2.832 20 10 FFCDRN C[C@H]([NH2+]C[C@@]1(O)CCSC1)c1cc(Br)c(F)cc1[O-] ZINC000756635777 736349189 /nfs/dbraw/zinc/34/91/89/736349189.db2.gz HKYCAQDKMAOVSR-SDBXPKJASA-N 0 0 350.253 2.812 20 10 FFCDRN CCn1cnnc1CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756734041 736356682 /nfs/dbraw/zinc/35/66/82/736356682.db2.gz SWYIXCJUGYOAIA-SECBINFHSA-N 0 0 357.227 2.799 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000756760905 736359601 /nfs/dbraw/zinc/35/96/01/736359601.db2.gz PSXVATHECXAYIF-LLVKDONJSA-N 0 0 350.802 2.957 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCOc2ccc(Cl)cn2)c1 ZINC000756760909 736359699 /nfs/dbraw/zinc/35/96/99/736359699.db2.gz PSXVATHECXAYIF-NSHDSACASA-N 0 0 350.802 2.957 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000756860575 736367846 /nfs/dbraw/zinc/36/78/46/736367846.db2.gz DOPAOLIIXMMWPV-NEPJUHHUSA-N 0 0 352.431 2.566 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccnc(Br)c2)cc1F ZINC000757637374 736414983 /nfs/dbraw/zinc/41/49/83/736414983.db2.gz DEPMLZDPGIMHKP-UHFFFAOYSA-N 0 0 352.207 2.979 20 10 FFCDRN Cc1cc(CC(=O)NCC(=O)NC(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000758004234 736444410 /nfs/dbraw/zinc/44/44/10/736444410.db2.gz WIXWUHNLKDKNBY-UHFFFAOYSA-N 0 0 361.873 2.931 20 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370.287 2.825 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](O)C[C@@H]2[C@@H]2CCCOC2)c1 ZINC000824654685 743123630 /nfs/dbraw/zinc/12/36/30/743123630.db2.gz QBDAPLBGNPZKFG-XNRPHZJLSA-N 0 0 370.287 2.825 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H](C(=O)OC(C)(C)C)C2CC2)cc1F ZINC000824669114 743126237 /nfs/dbraw/zinc/12/62/37/743126237.db2.gz GCXKLIQLSGCLKL-MRXNPFEDSA-N 0 0 350.434 2.876 20 10 FFCDRN O=C(N1C[C@@H]2C[N@H+](Cc3cccc(Cl)c3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000824829759 743158539 /nfs/dbraw/zinc/15/85/39/743158539.db2.gz QYBZNGHIDHHIIL-PWSUYJOCSA-N 0 0 362.779 2.888 20 10 FFCDRN COc1ccc(NS(C)(=O)=O)cc1NCc1ccc(N(C)C)c(F)c1 ZINC000824886856 743170834 /nfs/dbraw/zinc/17/08/34/743170834.db2.gz LYNASROSYFSDKE-UHFFFAOYSA-N 0 0 367.446 2.884 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(Br)n(C)n2)cc1 ZINC000825327438 743249566 /nfs/dbraw/zinc/24/95/66/743249566.db2.gz SMDCFXJMSNNBFV-UHFFFAOYSA-N 0 0 365.275 2.959 20 10 FFCDRN CC1(C)CCN(Cc2ccc(Br)cc2O)CCS1(=O)=O ZINC000825715686 743317141 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Cc1cc(C(=O)OC[C@@H](C)O)c(C)n1-c1ccc(Br)cn1 ZINC000829758359 745255673 /nfs/dbraw/zinc/25/56/73/745255673.db2.gz MOPJDLQJFKGMIN-SNVBAGLBSA-N 0 0 353.216 2.789 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H](OC)C1CCCC1 ZINC000831706641 745572891 /nfs/dbraw/zinc/57/28/91/745572891.db2.gz JCNNWYRGNLDRLV-KRWDZBQOSA-N 0 0 369.845 2.752 20 10 FFCDRN CC(=O)N[C@@H](CCC(C)C)C(=O)NCc1cccc(Br)c1O ZINC000834476148 745846187 /nfs/dbraw/zinc/84/61/87/745846187.db2.gz OZPZJYBATAQSJJ-AWEZNQCLSA-N 0 0 371.275 2.712 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000834751238 745893526 /nfs/dbraw/zinc/89/35/26/745893526.db2.gz PWIMCBPWVGVRPN-STQMWFEESA-N 0 0 353.513 2.533 20 10 FFCDRN CN(C)c1ccc(/C=C/CNc2ccc(CNS(C)(=O)=O)cc2)cc1 ZINC000835034098 745935173 /nfs/dbraw/zinc/93/51/73/745935173.db2.gz XDELOWRTOYPTOP-SNAWJCMRSA-N 0 0 359.495 2.927 20 10 FFCDRN C[N@H+](CCNC(=O)OC(C)(C)C)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000835078610 745946860 /nfs/dbraw/zinc/94/68/60/745946860.db2.gz 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748488482 /nfs/dbraw/zinc/48/84/82/748488482.db2.gz RSLMFHDJUJMFKY-UHFFFAOYSA-N 0 0 350.846 2.747 20 10 FFCDRN CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846477173 748488982 /nfs/dbraw/zinc/48/89/82/748488982.db2.gz QLGPLQFHQKIZNS-CQSZACIVSA-N 0 0 372.824 2.867 20 10 FFCDRN CC[C@H](C(=O)NCc1ccc(OC)cc1O)N(C)C(=O)OC(C)(C)C ZINC000846949147 748583822 /nfs/dbraw/zinc/58/38/22/748583822.db2.gz FFNNNAZGBXFVJC-CQSZACIVSA-N 0 0 352.431 2.663 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000848565501 748962164 /nfs/dbraw/zinc/96/21/64/748962164.db2.gz XOALSOIPBFPERB-SCZZXKLOSA-N 0 0 369.238 2.630 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CN(C2CC2)C(=O)O1)c1cc(Br)cc(F)c1[O-] ZINC000848573399 748963474 /nfs/dbraw/zinc/96/34/74/748963474.db2.gz ZMPUOXFBQHYJTP-GZMMTYOYSA-N 0 0 373.222 2.928 20 10 FFCDRN C[C@@H](Cc1ccccn1)NC(=O)NCc1cccc(Br)c1O ZINC000848669899 748980557 /nfs/dbraw/zinc/98/05/57/748980557.db2.gz FNMKTJICSIIHBG-NSHDSACASA-N 0 0 364.243 2.980 20 10 FFCDRN CCOC(=O)c1cc(NS(=O)(=O)C[C@@H](OC)C2CCCC2)ccc1O ZINC000849310496 749097839 /nfs/dbraw/zinc/09/78/39/749097839.db2.gz YDMILJUKRLDXBW-MRXNPFEDSA-N 0 0 371.455 2.516 20 10 FFCDRN COc1cc(CNc2ccc(S(N)(=O)=O)cc2)c(O)c(C(C)(C)C)c1 ZINC000849346141 749108299 /nfs/dbraw/zinc/10/82/99/749108299.db2.gz ZAUWHFJKPSRNAG-UHFFFAOYSA-N 0 0 364.467 2.958 20 10 FFCDRN C[C@@H]1CCC[C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)O1 ZINC000849363290 749112073 /nfs/dbraw/zinc/11/20/73/749112073.db2.gz IIVQGVCWOKBHDF-BXUZGUMPSA-N 0 0 352.818 2.767 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3cccc(F)c3F)C2)cc1 ZINC000849416181 749142693 /nfs/dbraw/zinc/14/26/93/749142693.db2.gz LWHOKWFBKWVMHC-LBPRGKRZSA-N 0 0 368.405 2.531 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cccc(F)c3C)C2)cc1 ZINC000849416576 749143422 /nfs/dbraw/zinc/14/34/22/749143422.db2.gz SKAXZJNYZWRCOW-CQSZACIVSA-N 0 0 364.442 2.700 20 10 FFCDRN CO[C@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])[C@H]1CCOC1 ZINC000850484633 749371751 /nfs/dbraw/zinc/37/17/51/749371751.db2.gz NHACSQMKNZTPRB-ISTVAULSSA-N 0 0 362.239 2.996 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](CCF)C1 ZINC000850626067 749396911 /nfs/dbraw/zinc/39/69/11/749396911.db2.gz LWFMZTLFBUJMQW-OAHLLOKOSA-N 0 0 350.434 2.729 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(N)cc2F)cc1 ZINC000851757758 749664280 /nfs/dbraw/zinc/66/42/80/749664280.db2.gz KFCUYLDHSRDIGD-UHFFFAOYSA-N 0 0 351.447 2.733 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1ccc(N)cc1F ZINC000851797460 749678987 /nfs/dbraw/zinc/67/89/87/749678987.db2.gz FKIUKDQJFOUPHL-CYBMUJFWSA-N 0 0 365.474 2.692 20 10 FFCDRN C[C@@H](CC(F)(F)F)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852255208 749816491 /nfs/dbraw/zinc/81/64/91/749816491.db2.gz RUDZLEAADAELFN-LBPRGKRZSA-N 0 0 359.392 2.788 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2cnc(C(F)(F)F)nc2)cc1 ZINC000852446411 749860717 /nfs/dbraw/zinc/86/07/17/749860717.db2.gz OVJKFHJQVMXQDK-UHFFFAOYSA-N 0 0 353.348 2.561 20 10 FFCDRN CS(=O)(=O)N1CC[C@@H](COc2ccc(N3CCCCC3)c(Cl)c2)C1 ZINC000853726867 750146989 /nfs/dbraw/zinc/14/69/89/750146989.db2.gz ZPOLITNLMQWCDN-CQSZACIVSA-N 0 0 372.918 2.991 20 10 FFCDRN CC1(C)C[C@@]1(C)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000854140123 750247278 /nfs/dbraw/zinc/24/72/78/750247278.db2.gz ACXIQAYSFVVASV-GOSISDBHSA-N 0 0 353.413 2.789 20 10 FFCDRN O=C(CSc1nccs1)NC1CCN(C(=O)C2CCCCC2)CC1 ZINC000057392312 845368978 /nfs/dbraw/zinc/36/89/78/845368978.db2.gz YAJRGFOBGZSJLQ-UHFFFAOYSA-N 0 0 367.540 2.923 20 10 FFCDRN CC(=O)c1cccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000058507650 845398242 /nfs/dbraw/zinc/39/82/42/845398242.db2.gz RYVBAAWZZDQBNC-UHFFFAOYSA-N 0 0 350.415 2.573 20 10 FFCDRN CCc1nc(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000068513562 845524246 /nfs/dbraw/zinc/52/42/46/845524246.db2.gz BOPRRXLFLSPUSA-AWEZNQCLSA-N 0 0 359.495 2.962 20 10 FFCDRN COc1ccc(O)c(CN[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1 ZINC000401678553 845878244 /nfs/dbraw/zinc/87/82/44/845878244.db2.gz PVLUACRLDQYZKX-ZDUSSCGKSA-N 0 0 364.364 2.946 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCc3cccnc3C)C2)cc1 ZINC000895650220 970806352 /nfs/dbraw/zinc/80/63/52/970806352.db2.gz IEMXGWMDOXQGSE-QGZVFWFLSA-N 0 0 354.454 2.519 20 10 FFCDRN CC(C)(C)N1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1=O ZINC000895710812 970871734 /nfs/dbraw/zinc/87/17/34/970871734.db2.gz KUQOPHOLUSWJKN-GOSISDBHSA-N 0 0 357.498 2.940 20 10 FFCDRN COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000895864037 971005301 /nfs/dbraw/zinc/00/53/01/971005301.db2.gz NBCMCBJHCBZBHG-RHSMWYFYSA-N 0 0 365.470 2.899 20 10 FFCDRN Cc1ccc(C(=O)NC[C@@H](C)c2nc(-c3ccccc3)no2)c(O)c1O ZINC000182944647 971077821 /nfs/dbraw/zinc/07/78/21/971077821.db2.gz KMHVWZZHQKGWJL-GFCCVEGCSA-N 0 0 353.378 2.990 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000184076585 971164177 /nfs/dbraw/zinc/16/41/77/971164177.db2.gz GWDJGJMYPQJVAO-OAHLLOKOSA-N 0 0 374.554 2.911 20 10 FFCDRN Cc1cc(C[NH2+]Cc2ccc(N3CCC(C(N)=O)CC3)cc2)cnc1F ZINC000896053144 971198823 /nfs/dbraw/zinc/19/88/23/971198823.db2.gz CJCXPRFMKFVMKN-UHFFFAOYSA-N 0 0 356.445 2.521 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)Nc1nccc(N2CCOCC2)n1 ZINC000840384961 971225469 /nfs/dbraw/zinc/22/54/69/971225469.db2.gz QRKZPCVSEYLKMO-MRXNPFEDSA-N 0 0 355.486 2.731 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3cc(F)ccc3OC)CC2)cc1 ZINC000186393921 971360854 /nfs/dbraw/zinc/36/08/54/971360854.db2.gz ZJACXSSTCBYHKM-UHFFFAOYSA-N 0 0 358.413 2.734 20 10 FFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)N1C[C@@H](O)CC(F)(F)C1 ZINC000888587885 1013073360 /nfs/dbraw/zinc/07/33/60/1013073360.db2.gz NEVKBAMUSBCKEC-LBPRGKRZSA-N 0 0 373.363 2.630 20 10 FFCDRN Cc1cc(C(=O)Nc2cncc(-c3nncn3C)c2)c(C)n1-c1ccccn1 ZINC000162349132 971400218 /nfs/dbraw/zinc/40/02/18/971400218.db2.gz DNDSAAYXEIAQFW-UHFFFAOYSA-N 0 0 373.420 2.932 20 10 FFCDRN COCCO[C@H]1CCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC000187989350 971476479 /nfs/dbraw/zinc/47/64/79/971476479.db2.gz NHFZSACFDLVBIX-IBGZPJMESA-N 0 0 372.465 2.980 20 10 FFCDRN C[C@@H](C[S@](C)=O)N(C)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888588176 1013089636 /nfs/dbraw/zinc/08/96/36/1013089636.db2.gz WHGPHEYAFOMORZ-NRRJATNASA-N 0 0 371.466 2.627 20 10 FFCDRN CN(CC1(CO)CC1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888588288 1013089753 /nfs/dbraw/zinc/08/97/53/1013089753.db2.gz ZLCPRBVSMCNQOP-UHFFFAOYSA-N 0 0 351.410 2.633 20 10 FFCDRN COc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1Cn1cccn1 ZINC000871876896 1013096689 /nfs/dbraw/zinc/09/66/89/1013096689.db2.gz PKVYTLMTQBUWDS-QILLFSRXSA-N 0 0 357.454 2.919 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCc1nc(Cc2ccccc2)no1 ZINC000759788838 971666874 /nfs/dbraw/zinc/66/68/74/971666874.db2.gz LRYBGJKAESDYEJ-VQHVLOKHSA-N 0 0 352.346 2.828 20 10 FFCDRN Cc1ccn(CC(=O)N(Cc2ccco2)Cc2ccccc2O)c(=O)c1 ZINC000194842888 971900719 /nfs/dbraw/zinc/90/07/19/971900719.db2.gz FDPXSLKCTCVJRS-UHFFFAOYSA-N 0 0 352.390 2.684 20 10 FFCDRN CN(C(=O)c1n[nH]c2c1CCN(C(=O)OC(C)(C)C)C2)c1ccccc1N ZINC001151918235 1032063110 /nfs/dbraw/zinc/06/31/10/1032063110.db2.gz GWBBPCIQYYTIIW-UHFFFAOYSA-N 0 0 371.441 2.562 20 10 FFCDRN COCCOCCCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888591717 1013126137 /nfs/dbraw/zinc/12/61/37/1013126137.db2.gz DMTHXOCXIWQIPE-UHFFFAOYSA-N 0 0 369.425 2.571 20 10 FFCDRN CSC[C@](C)(O)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888591905 1013130026 /nfs/dbraw/zinc/13/00/26/1013130026.db2.gz JWKWNFUOUKZGAG-GOSISDBHSA-N 0 0 371.466 2.632 20 10 FFCDRN Cc1n[nH]c(C)c1CCC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000124734429 972354831 /nfs/dbraw/zinc/35/48/31/972354831.db2.gz HMNQFSWAXSSPEN-AWEZNQCLSA-N 0 0 356.470 2.673 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(C)C[C@]2(O)CCc3ccccc32)cc1 ZINC000825601633 1013215137 /nfs/dbraw/zinc/21/51/37/1013215137.db2.gz AMTVCYHKGBXHCO-OAQYLSRUSA-N 0 0 353.466 2.728 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(OC(C)C)CCC1 ZINC000872850340 1013279088 /nfs/dbraw/zinc/27/90/88/1013279088.db2.gz ZZEANTUFTYWVCS-UHFFFAOYSA-N 0 0 362.470 2.595 20 10 FFCDRN CCC[C@@H](C)N(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000891087568 961923696 /nfs/dbraw/zinc/92/36/96/961923696.db2.gz SNUQLKFIHLQKIM-OAHLLOKOSA-N 0 0 360.502 2.718 20 10 FFCDRN Cc1ccc(N2C[C@@H](C(=O)N3Cc4cccc(O)c4C3)CC2=O)cc1C ZINC001175029731 1013371851 /nfs/dbraw/zinc/37/18/51/1013371851.db2.gz KVCQLHYIMZUNIA-INIZCTEOSA-N 0 0 350.418 2.904 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCCC[C@H]3C(N)=O)c2C)cc1 ZINC000177776636 962887967 /nfs/dbraw/zinc/88/79/67/962887967.db2.gz BIPCMUAOBRZAFQ-IEBWSBKVSA-N 0 0 369.465 2.877 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cn2cc(-c3ccccc3)nn2)c1 ZINC000160716692 963409348 /nfs/dbraw/zinc/40/93/48/963409348.db2.gz CYKULNVLVOFGFZ-CYBMUJFWSA-N 0 0 352.394 2.537 20 10 FFCDRN Cn1ccnc1[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000588403387 963569496 /nfs/dbraw/zinc/56/94/96/963569496.db2.gz LUFFUAURJVNBND-MONCILHSSA-N 0 0 367.380 2.889 20 10 FFCDRN Cn1ccnc1[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000588403388 963569928 /nfs/dbraw/zinc/56/99/28/963569928.db2.gz LUFFUAURJVNBND-QJSCKGPTSA-N 0 0 367.380 2.889 20 10 FFCDRN CC(C)=CCN1C[C@]2(CC1=O)COCC[N@H+](Cc1cccc(F)c1[O-])C2 ZINC001276086396 1013430834 /nfs/dbraw/zinc/43/08/34/1013430834.db2.gz POUGEJWUFAGZJI-HXUWFJFHSA-N 0 0 362.445 2.548 20 10 FFCDRN O=C1N(C2CCCC2)C[C@@]2(F)CN(Cc3cccc(F)c3O)C[C@@]12F ZINC001276085442 1013430951 /nfs/dbraw/zinc/43/09/51/1013430951.db2.gz JFIHMEWGTLZRRS-ZWKOTPCHSA-N 0 0 354.372 2.548 20 10 FFCDRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)/C=C\c3ccc(O)c(O)c3)CC2)C1 ZINC000588406352 963620723 /nfs/dbraw/zinc/62/07/23/963620723.db2.gz VMMIAIYXYQZFMU-ZQMJAJRESA-N 0 0 372.465 2.608 20 10 FFCDRN COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2[O-])C1=O ZINC001276086504 1013433655 /nfs/dbraw/zinc/43/36/55/1013433655.db2.gz RUQRJTRHYQBQFB-IBGZPJMESA-N 0 0 350.434 2.523 20 10 FFCDRN CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N(C[C@@H](C)O)C2CC2)C1 ZINC000655372316 964094328 /nfs/dbraw/zinc/09/43/28/964094328.db2.gz OFJQJQFFEUCYNZ-MRXNPFEDSA-N 0 0 369.509 2.780 20 10 FFCDRN O=C(N1CC=CC1)[C@@]12C[C@@H]1CCN2Cc1cc(Br)ccc1O ZINC001279983504 964141032 /nfs/dbraw/zinc/14/10/32/964141032.db2.gz WTPUJJRJOWLVIN-SUMWQHHRSA-N 0 0 363.255 2.518 20 10 FFCDRN C[C@H](NC(=O)NC[C@]1(c2cnn(C)c2)CCCO1)c1ccc(N(C)C)cc1 ZINC000894288064 964220559 /nfs/dbraw/zinc/22/05/59/964220559.db2.gz ZUYVGWCMRMYNKQ-YWZLYKJASA-N 0 0 371.485 2.552 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000891524052 964426457 /nfs/dbraw/zinc/42/64/57/964426457.db2.gz GSYSQSSJALXDHE-OALUTQOASA-N 0 0 364.461 2.589 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCOc2ccc(N)cc2C1 ZINC000891563270 964498159 /nfs/dbraw/zinc/49/81/59/964498159.db2.gz BVGIEOMPEDRSBI-UHFFFAOYSA-N 0 0 354.454 2.747 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)Cn3ncc4cccnc43)C2)cc1 ZINC000873540909 1013548632 /nfs/dbraw/zinc/54/86/32/1013548632.db2.gz YPIWJVVDYIEDMB-OAHLLOKOSA-N 0 0 366.421 2.510 20 10 FFCDRN CCc1ccc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)s1 ZINC000894595070 965509345 /nfs/dbraw/zinc/50/93/45/965509345.db2.gz FTEQVROZYQFTER-UHFFFAOYSA-N 0 0 371.506 2.942 20 10 FFCDRN Cc1ccc(F)cc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894597363 965509921 /nfs/dbraw/zinc/50/99/21/965509921.db2.gz YKDZOJQGZRLRHE-UHFFFAOYSA-N 0 0 369.440 2.766 20 10 FFCDRN CCC1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCCC1 ZINC000894596361 965510915 /nfs/dbraw/zinc/51/09/15/965510915.db2.gz WUTFNHKANVTCQM-UHFFFAOYSA-N 0 0 357.498 2.975 20 10 FFCDRN Nc1ccc(CCNC(=O)N[C@H](CO)c2cccc(C(F)(F)F)c2)cc1 ZINC000892039198 965865131 /nfs/dbraw/zinc/86/51/31/965865131.db2.gz RTOHHFIPLFOXOY-MRXNPFEDSA-N 0 0 367.371 2.863 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCN(c3ccc(F)cc3F)CC2)cc1 ZINC000892039478 965866702 /nfs/dbraw/zinc/86/67/02/965866702.db2.gz UXNVYFKTBQAHFI-UHFFFAOYSA-N 0 0 360.408 2.621 20 10 FFCDRN COC(=O)c1c(CNCc2nnc(C(C)C)[nH]2)c2cc(F)ccc2n1C ZINC000894877240 966017716 /nfs/dbraw/zinc/01/77/16/966017716.db2.gz SQKDBCOENCOOSI-UHFFFAOYSA-N 0 0 359.405 2.635 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](c3ccnn3C)C2)cc1 ZINC000892133501 966048299 /nfs/dbraw/zinc/04/82/99/966048299.db2.gz PLDNJTFGSWMOSX-IBGZPJMESA-N 0 0 371.485 2.549 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1cnn(C2CCC2)c1 ZINC000934303928 966243983 /nfs/dbraw/zinc/24/39/83/966243983.db2.gz QAFRODIXIHQNFY-UHFFFAOYSA-N 0 0 369.469 2.891 20 10 FFCDRN Nc1ncc(Br)nc1N(CC1CC1)c1ccc2c(c1)CC(=O)N2 ZINC001176426263 1013697972 /nfs/dbraw/zinc/69/79/72/1013697972.db2.gz CPYNURTUIAEFSK-UHFFFAOYSA-N 0 0 374.242 2.864 20 10 FFCDRN O=C(N1CC=CC1)[C@]12C[C@H]1CCN2Cc1c(O)cccc1Br ZINC001280313087 967394787 /nfs/dbraw/zinc/39/47/87/967394787.db2.gz PPOSHCPHPCZQTE-PXAZEXFGSA-N 0 0 363.255 2.518 20 10 FFCDRN COC(=O)c1c(Cl)cc(C)nc1NCCc1cc(O)c(O)cc1O ZINC001168005678 967578104 /nfs/dbraw/zinc/57/81/04/967578104.db2.gz FOIYGDVWNILVNW-UHFFFAOYSA-N 0 0 352.774 2.601 20 10 FFCDRN COc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccccc3O)CC2=O)cc1 ZINC000827982324 967900985 /nfs/dbraw/zinc/90/09/85/967900985.db2.gz 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COCCn1c(C)c(C)c2cc(C(=O)O[C@@H](C)C(=O)NC3CC3)ccc21 ZINC000728636867 969328476 /nfs/dbraw/zinc/32/84/76/969328476.db2.gz DDGAEQMEAMJSKA-AWEZNQCLSA-N 0 0 358.438 2.728 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3CCCC[C@@H]3C(N)=O)c2C)cc1 ZINC000177776611 969339128 /nfs/dbraw/zinc/33/91/28/969339128.db2.gz BIPCMUAOBRZAFQ-PKOBYXMFSA-N 0 0 369.465 2.877 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)NC(C)C)cc1 ZINC000177949581 969389945 /nfs/dbraw/zinc/38/99/45/969389945.db2.gz DUWWLWNKQOUNTR-SFHVURJKSA-N 0 0 360.502 2.731 20 10 FFCDRN COc1c(NC(=O)c2cc(C)n(-c3ccccn3)c2C)cccc1C(N)=O ZINC000782841301 969733887 /nfs/dbraw/zinc/73/38/87/969733887.db2.gz AGCDMUYXAJQYGY-UHFFFAOYSA-N 0 0 364.405 2.849 20 10 FFCDRN O=C(NCc1cccc(N2CCCC2=O)c1)N1Cc2cccc(O)c2C1 ZINC000875089025 1013966165 /nfs/dbraw/zinc/96/61/65/1013966165.db2.gz UXPMXZJNXFNZHE-UHFFFAOYSA-N 0 0 351.406 2.744 20 10 FFCDRN C[C@@H](NC(=O)N(C)[C@@H]1CCCC[C@H]1O)c1ccc(N2CCOCC2)cc1 ZINC000875156814 1013981774 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O=C(CNc1ccn(-c2ccc(F)cc2)c(=O)c1)c1ccc(O)c(O)c1 ZINC001170320442 1003108092 /nfs/dbraw/zinc/10/80/92/1003108092.db2.gz AKWWMVWNDPQIOQ-UHFFFAOYSA-N 0 0 354.337 2.683 20 10 FFCDRN CN(C)c1ccc(CN2CCC[C@H](N3CCNC3=O)C2)c(C(F)(F)F)c1 ZINC000792793160 1003180588 /nfs/dbraw/zinc/18/05/88/1003180588.db2.gz PYLFRPHKQIBZOF-HNNXBMFYSA-N 0 0 370.419 2.761 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](c2nccn2C)c2ccccc2)c(O)c1 ZINC000792793193 1003180853 /nfs/dbraw/zinc/18/08/53/1003180853.db2.gz QNEGMQHFLCXNJW-SFHVURJKSA-N 0 0 366.421 2.723 20 10 FFCDRN COc1c(O)c(CNCc2nc(C)c3ccccc3n2)ccc1[N+](=O)[O-] ZINC000774988794 1003218248 /nfs/dbraw/zinc/21/82/48/1003218248.db2.gz IOCJHHNFJVCDRU-UHFFFAOYSA-N 0 0 354.366 2.850 20 10 FFCDRN COc1ccc(CNC(=O)NCCCOc2ccccc2OC)c(O)c1 ZINC000792902486 1003223436 /nfs/dbraw/zinc/22/34/36/1003223436.db2.gz CFPLFEBWAGZMMS-UHFFFAOYSA-N 0 0 360.410 2.678 20 10 FFCDRN CC(C)(C)OC(=O)NC1CN(Cc2cc(Br)ccc2O)C1 ZINC001203635621 1003237994 /nfs/dbraw/zinc/23/79/94/1003237994.db2.gz BGXGHKCCCNUKPA-UHFFFAOYSA-N 0 0 357.248 2.864 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c(O)c1 ZINC000792977068 1003243098 /nfs/dbraw/zinc/24/30/98/1003243098.db2.gz ULEMFDIUQFSOHE-HNNXBMFYSA-N 0 0 360.414 2.858 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)c(O)c1 ZINC000793036871 1003261325 /nfs/dbraw/zinc/26/13/25/1003261325.db2.gz DYVQKZAAFFIOHK-OAHLLOKOSA-N 0 0 357.454 2.721 20 10 FFCDRN COc1ccc(CNC(=O)NCCCc2cc(OC)ccc2OC)c(O)c1 ZINC000793021423 1003266822 /nfs/dbraw/zinc/26/68/22/1003266822.db2.gz OHTMQTQUAHZYLF-UHFFFAOYSA-N 0 0 374.437 2.850 20 10 FFCDRN CC[C@@H]1CN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C[C@@]2(CCOC2)O1 ZINC000793061777 1003276078 /nfs/dbraw/zinc/27/60/78/1003276078.db2.gz NMYNUGVSKXPZPD-XFQXTVEOSA-N 0 0 361.486 2.793 20 10 FFCDRN O=C(NCc1cccnc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000793303873 1003329782 /nfs/dbraw/zinc/32/97/82/1003329782.db2.gz LMLFXQLYELGODF-INIZCTEOSA-N 0 0 359.401 2.817 20 10 FFCDRN O=C([C@@H](O)Cc1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000793725042 1003474947 /nfs/dbraw/zinc/47/49/47/1003474947.db2.gz CTBGSWLGZXHUKT-ICSRJNTNSA-N 0 0 355.434 2.503 20 10 FFCDRN C[C@H](NC(=O)NCCCN1CCCCCC1=O)c1ccc(N(C)C)cc1 ZINC000773110271 1003549450 /nfs/dbraw/zinc/54/94/50/1003549450.db2.gz HSGBGGJZFSVOGZ-INIZCTEOSA-N 0 0 360.502 2.906 20 10 FFCDRN CC(C)(C)OC(=O)N1CC=C(CCNC(=O)c2cccc(O)c2O)CC1 ZINC000794176912 1003576141 /nfs/dbraw/zinc/57/61/41/1003576141.db2.gz CEIMMYUPBCKRDI-UHFFFAOYSA-N 0 0 362.426 2.785 20 10 FFCDRN COc1ccc(CNC(=O)Cc2c[nH]c3ccc([N+](=O)[O-])cc23)c(O)c1 ZINC000794381055 1003620670 /nfs/dbraw/zinc/62/06/70/1003620670.db2.gz JQLBGXGOQLVCMQ-UHFFFAOYSA-N 0 0 355.350 2.649 20 10 FFCDRN COc1ccc(CNC(=O)c2cnn(-c3ccncc3)c2C(F)F)c(O)c1 ZINC000794377237 1003620842 /nfs/dbraw/zinc/62/08/42/1003620842.db2.gz PQOIMOGZTHYQBB-UHFFFAOYSA-N 0 0 374.347 2.849 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc3ccn(C)c(=O)c3c2)c1O ZINC000794384924 1003621747 /nfs/dbraw/zinc/62/17/47/1003621747.db2.gz WZJACAZKQZFGSB-UHFFFAOYSA-N 0 0 353.378 2.574 20 10 FFCDRN COc1ccc(CNC(=O)c2c[nH]c(=S)n2-c2ccc(F)cc2)c(O)c1 ZINC000794389321 1003623858 /nfs/dbraw/zinc/62/38/58/1003623858.db2.gz LEHJLZQFTXKMAR-UHFFFAOYSA-N 0 0 373.409 2.944 20 10 FFCDRN O=C(CNC(=S)NCc1cccc(Cl)c1)c1ccc(O)c(O)c1 ZINC001195998462 1003627823 /nfs/dbraw/zinc/62/78/23/1003627823.db2.gz JRIVIUWZTWUYFS-UHFFFAOYSA-N 0 0 350.827 2.598 20 10 FFCDRN COC(=O)c1cnc(N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)nc1 ZINC000804573014 1003732440 /nfs/dbraw/zinc/73/24/40/1003732440.db2.gz HAYADEMHRWTYOQ-GOSISDBHSA-N 0 0 370.453 2.515 20 10 FFCDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1NC(=O)c1cccc(O)c1O ZINC000804845697 1003856512 /nfs/dbraw/zinc/85/65/12/1003856512.db2.gz PRMGHPIKPWJRJP-TYNCELHUSA-N 0 0 364.442 2.862 20 10 FFCDRN COC(=O)[C@@H]1C[C@@H]1c1ccc(C(=O)N2CCc3cccc(O)c3C2)cc1 ZINC001192188373 1004079796 /nfs/dbraw/zinc/07/97/96/1004079796.db2.gz NBNSKWIFIKKHHM-IAGOWNOFSA-N 0 0 351.402 2.867 20 10 FFCDRN CCN1CCN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CC1=O ZINC001197176300 1004111469 /nfs/dbraw/zinc/11/14/69/1004111469.db2.gz QIKLOLXPPNFFPY-FMQUCBEESA-N 0 0 372.450 2.955 20 10 FFCDRN Cc1ncc(NS(=O)(=O)c2ccc(N=Nc3ccccc3)cc2)c(=O)[nH]1 ZINC001197196665 1004116123 /nfs/dbraw/zinc/11/61/23/1004116123.db2.gz ABCNWEXCKCFYTM-FVGNFYTDSA-N 0 0 369.406 2.778 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3CC(=O)N(C)[C@H]3C)ccc21 ZINC000806075907 1004226944 /nfs/dbraw/zinc/22/69/44/1004226944.db2.gz WZEAPDKFNLDEHP-KBXCAEBGSA-N 0 0 358.438 2.681 20 10 FFCDRN O=C(c1cnn(Cc2ccc(F)cc2)c1)N1CCc2cccc(O)c2C1 ZINC001197454816 1004238122 /nfs/dbraw/zinc/23/81/22/1004238122.db2.gz QIQIIZGMCQGSSA-UHFFFAOYSA-N 0 0 351.381 2.975 20 10 FFCDRN CCCOC(=O)c1ccc(S(=O)(=O)NCc2cc(C)ccc2O)cc1 ZINC001192733118 1004248694 /nfs/dbraw/zinc/24/86/94/1004248694.db2.gz VUHTWKPHSILJBN-UHFFFAOYSA-N 0 0 363.435 2.746 20 10 FFCDRN CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)NCc1cccc(C)c1O ZINC001192783526 1004272391 /nfs/dbraw/zinc/27/23/91/1004272391.db2.gz BOEXQZDSNHVWIS-QGZVFWFLSA-N 0 0 356.422 2.674 20 10 FFCDRN COc1cc(C(=O)N2CCC(CC(=O)OC(C)(C)C)CC2)cc(O)c1O ZINC001193099005 1004372109 /nfs/dbraw/zinc/37/21/09/1004372109.db2.gz ZPHZEYQGFVJGKM-UHFFFAOYSA-N 0 0 365.426 2.690 20 10 FFCDRN O=C(NCc1ccccc1O)N[C@@H]1CCCN(C(=O)CCC(F)(F)F)C1 ZINC000806644343 1004382213 /nfs/dbraw/zinc/38/22/13/1004382213.db2.gz YCFLVUQPXVYPHU-CYBMUJFWSA-N 0 0 373.375 2.525 20 10 FFCDRN CN(C)c1ccc(-c2nc(C(=O)N(CCO)CC(F)(F)F)cs2)cc1 ZINC001193174093 1004384199 /nfs/dbraw/zinc/38/41/99/1004384199.db2.gz OVSVXMTZFKGUIF-UHFFFAOYSA-N 0 0 373.400 2.873 20 10 FFCDRN Cc1noc(NC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)c1C(N)=O ZINC001193163952 1004396061 /nfs/dbraw/zinc/39/60/61/1004396061.db2.gz KHITXFHDRHWTTM-UHFFFAOYSA-N 0 0 371.422 2.524 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(OC)cc1C ZINC000806734844 1004402257 /nfs/dbraw/zinc/40/22/57/1004402257.db2.gz GFWJAIHQKIVEBT-UHFFFAOYSA-N 0 0 370.449 2.764 20 10 FFCDRN CSc1nnc(NC(=O)c2ccc(O)c(O)c2Cl)c(SC)n1 ZINC001193210101 1004403410 /nfs/dbraw/zinc/40/34/10/1004403410.db2.gz TXUFRTFOTVSIHB-UHFFFAOYSA-N 0 0 358.832 2.632 20 10 FFCDRN Cc1cnn(Cc2ccccn2)c1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193220809 1004407473 /nfs/dbraw/zinc/40/74/73/1004407473.db2.gz XRVCICXIKWBDCN-UHFFFAOYSA-N 0 0 358.785 2.952 20 10 FFCDRN COC(=O)[C@@H]1CC[C@H](NC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)C1 ZINC001193178438 1004408418 /nfs/dbraw/zinc/40/84/18/1004408418.db2.gz DQKFJKWFTKFKDV-KGLIPLIRSA-N 0 0 373.478 2.948 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 ZINC001130745407 1004415166 /nfs/dbraw/zinc/41/51/66/1004415166.db2.gz VISMSRVMRQNQGP-GOSISDBHSA-N 0 0 367.449 2.716 20 10 FFCDRN O=C(N[C@H]1Cc2ccc(Cl)cc2NC1=O)c1ccc(O)c(O)c1Cl ZINC001193247322 1004418170 /nfs/dbraw/zinc/41/81/70/1004418170.db2.gz UTGNVGPOBDGTRH-NSHDSACASA-N 0 0 367.188 2.698 20 10 FFCDRN CCOC(=O)C(C)(C)CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000806822655 1004429403 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369.421 2.694 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CCN3C)c1 ZINC000749530317 1021002429 /nfs/dbraw/zinc/00/24/29/1021002429.db2.gz HXIBEVCRGYMSHV-GFCCVEGCSA-N 0 0 369.421 2.670 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)Cc3ccncc3)CC2)cc1 ZINC000749561965 1021006591 /nfs/dbraw/zinc/00/65/91/1021006591.db2.gz CTXNDFCULCCTBR-INIZCTEOSA-N 0 0 368.481 2.989 20 10 FFCDRN CCN(CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)CC(=O)N(C)C ZINC000749844404 1021053816 /nfs/dbraw/zinc/05/38/16/1021053816.db2.gz JEVFEEQMXILUTD-UHFFFAOYSA-N 0 0 359.445 2.826 20 10 FFCDRN C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc2c(c1)C(=O)c1ccc([O-])cc1C2=O ZINC001218028102 1032960102 /nfs/dbraw/zinc/96/01/02/1032960102.db2.gz CQQYSVAZKYNDEZ-BUXKBTBVSA-N 0 0 351.402 2.935 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)[C@@H]3CCCOC3)CC2)cc1 ZINC000780044579 1021231364 /nfs/dbraw/zinc/23/13/64/1021231364.db2.gz OLZQEWMSWLOHOY-IAGOWNOFSA-N 0 0 361.486 2.732 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccnn1C1CCOCC1 ZINC000934640022 1021315402 /nfs/dbraw/zinc/31/54/02/1021315402.db2.gz MSVDOCFTFHWTME-UHFFFAOYSA-N 0 0 357.458 2.931 20 10 FFCDRN C[C@H](NC(=O)Cn1cc(C(F)(F)F)ccc1=O)c1ccc(N(C)C)cc1 ZINC001116672218 1021345352 /nfs/dbraw/zinc/34/53/52/1021345352.db2.gz QLPMXOLXRNYEKX-LBPRGKRZSA-N 0 0 367.371 2.811 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000829053422 1032972531 /nfs/dbraw/zinc/97/25/31/1032972531.db2.gz QAAKIGQIZOPPIN-IOBAAEILSA-N 0 0 351.406 2.517 20 10 FFCDRN COc1cc(O[C@H]2CC[NH2+][C@H](C)C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001218056335 1032973545 /nfs/dbraw/zinc/97/35/45/1032973545.db2.gz NOOXCTNNFSHAJL-MNOVXSKESA-N 0 0 371.389 2.885 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)C(F)(F)c3nccs3)CC2)cc1 ZINC001116779734 1021411750 /nfs/dbraw/zinc/41/17/50/1021411750.db2.gz HZJKKIXRKOFGHE-UHFFFAOYSA-N 0 0 367.421 2.982 20 10 FFCDRN CCOC(=O)c1ccn(-c2cccc(NC(=O)c3cccc(O)c3O)c2)n1 ZINC001116864082 1021460461 /nfs/dbraw/zinc/46/04/61/1021460461.db2.gz YDYHATHBCPXLLG-UHFFFAOYSA-N 0 0 367.361 2.713 20 10 FFCDRN CN1CCN(c2ccc(CNc3ccc([S@](C)=O)cc3)cc2F)CC1 ZINC001116956163 1021507145 /nfs/dbraw/zinc/50/71/45/1021507145.db2.gz QCQUXGDJLRGLFM-VWLOTQADSA-N 0 0 361.486 2.927 20 10 FFCDRN COc1ccccc1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000145510405 1021588164 /nfs/dbraw/zinc/58/81/64/1021588164.db2.gz SJQAFQVSPZCEFT-MRXNPFEDSA-N 0 0 354.450 2.952 20 10 FFCDRN C[C@@H]1CCC[C@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001117275442 1021633879 /nfs/dbraw/zinc/63/38/79/1021633879.db2.gz ACUJCSLQVRKLQO-RHSMWYFYSA-N 0 0 356.422 2.819 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)CCN2C ZINC000778329833 1021685654 /nfs/dbraw/zinc/68/56/54/1021685654.db2.gz WUHJXSJZTXWHAD-UHFFFAOYSA-N 0 0 365.477 2.788 20 10 FFCDRN COc1cc(N2CCN(C(=O)[C@@]3(C)C=CCC3)CC2)cc(OC)c1OC ZINC000935382163 1021686797 /nfs/dbraw/zinc/68/67/97/1021686797.db2.gz BBZCQJHVDPWPML-FQEVSTJZSA-N 0 0 360.454 2.717 20 10 FFCDRN C[C@H](NC(=O)C(=O)N(C)Cc1ccccc1O)c1ccc2ncsc2c1 ZINC001117427887 1021692641 /nfs/dbraw/zinc/69/26/41/1021692641.db2.gz KAKLTSDACAZLMT-LBPRGKRZSA-N 0 0 369.446 2.838 20 10 FFCDRN O=S(=O)(NCCCSc1nccs1)c1c[nH]c(C(F)(F)F)c1 ZINC001117612180 1021779879 /nfs/dbraw/zinc/77/98/79/1021779879.db2.gz PPJVVFLUHASSBR-UHFFFAOYSA-N 0 0 371.431 2.951 20 10 FFCDRN CN1CCN(c2ccc(CN3C[C@]4(CCCO4)[C@@H]3C3CC3)cc2F)CC1 ZINC001117722359 1021838193 /nfs/dbraw/zinc/83/81/93/1021838193.db2.gz TWGCIBMTAWDCRW-LEWJYISDSA-N 0 0 359.489 2.721 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H](C)C(=O)OC(C)(C)C)CC2)cc1 ZINC001118005294 1022014680 /nfs/dbraw/zinc/01/46/80/1022014680.db2.gz GCPJVFZLHFBCHI-HNNXBMFYSA-N 0 0 362.470 2.712 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)N[C@H]2CCC[C@@H]3C[C@@H]32)C2CC2)cc1 ZINC001118046063 1022040217 /nfs/dbraw/zinc/04/02/17/1022040217.db2.gz BBDBFWKWOFIDNY-MNEFBYGVSA-N 0 0 355.482 2.548 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3ccc4nonc4c3)CC2)cc1 ZINC001118154750 1022096302 /nfs/dbraw/zinc/09/63/02/1022096302.db2.gz GBHVFOIDISLFHM-UHFFFAOYSA-N 0 0 352.394 2.630 20 10 FFCDRN O=C1C[C@H](CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)CN1 ZINC001118413189 1022224050 /nfs/dbraw/zinc/22/40/50/1022224050.db2.gz QBGCBAGDMFDWNL-HOCLYGCPSA-N 0 0 357.479 2.957 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(-n2cnnn2)cc1Cl ZINC000115280164 1022321272 /nfs/dbraw/zinc/32/12/72/1022321272.db2.gz ULYQODFJWOYRSI-UHFFFAOYSA-N 0 0 370.844 2.620 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3cnc(C)nc3C3CC3)C2)cc1 ZINC001118719040 1022364660 /nfs/dbraw/zinc/36/46/60/1022364660.db2.gz LBTWCYOCYJHJJV-HNNXBMFYSA-N 0 0 352.438 2.680 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1(Oc2ccccc2)CC1 ZINC001118737824 1022375747 /nfs/dbraw/zinc/37/57/47/1022375747.db2.gz NPISQDCBULGINO-UHFFFAOYSA-N 0 0 366.461 2.876 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(=O)N(C)[C@H](C)C2)ccc1C ZINC001118862290 1022447570 /nfs/dbraw/zinc/44/75/70/1022447570.db2.gz MEVKARSHMUYLQW-OAHLLOKOSA-N 0 0 367.449 2.518 20 10 FFCDRN CC[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCCN1C(=O)OC(C)(C)C ZINC000778923941 1022534546 /nfs/dbraw/zinc/53/45/46/1022534546.db2.gz UPVDXVNOCMQNEL-LJQANCHMSA-N 0 0 364.442 2.894 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC001119083075 1022557597 /nfs/dbraw/zinc/55/75/97/1022557597.db2.gz YFCVBQFAGJPEHR-VDZJLULYSA-N 0 0 374.481 2.595 20 10 FFCDRN COC(=O)c1cnc(CC2CCN(C(=O)Cc3ccc(N)cc3)CC2)s1 ZINC001119366803 1022711319 /nfs/dbraw/zinc/71/13/19/1022711319.db2.gz KHGFSIGCBZDUGJ-UHFFFAOYSA-N 0 0 373.478 2.536 20 10 FFCDRN Cc1cc(O[C@@H]2CNCC(F)(F)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218273762 1033078694 /nfs/dbraw/zinc/07/86/94/1033078694.db2.gz BXTUBZPJUKIDBD-NSHDSACASA-N 0 0 373.355 2.852 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)CCOCC3CC3)cc2F)C[C@H](C)O1 ZINC000751238210 1022776511 /nfs/dbraw/zinc/77/65/11/1022776511.db2.gz BYAMGSCEOZYYCQ-GJZGRUSLSA-N 0 0 364.461 2.872 20 10 FFCDRN Cn1cc(/C=C\C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)cn1 ZINC000751329796 1022800488 /nfs/dbraw/zinc/80/04/88/1022800488.db2.gz CBPJMMRFXGSAKJ-XZVRFQMRSA-N 0 0 364.449 2.576 20 10 FFCDRN CCc1cccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1O ZINC000751380047 1022816216 /nfs/dbraw/zinc/81/62/16/1022816216.db2.gz WDIVAJBNFBGQDM-UHFFFAOYSA-N 0 0 358.413 2.860 20 10 FFCDRN CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(C)c(O)c1O ZINC000751530694 1022855735 /nfs/dbraw/zinc/85/57/35/1022855735.db2.gz PXHFKTNGQZDEQX-UHFFFAOYSA-N 0 0 358.394 2.516 20 10 FFCDRN CCOCc1cc(C[NH2+][C@@H](CC2CCOCC2)C(=O)[O-])ccc1OC ZINC001119601957 1022887155 /nfs/dbraw/zinc/88/71/55/1022887155.db2.gz NMROPEOTEQTGPW-KRWDZBQOSA-N 0 0 351.443 2.591 20 10 FFCDRN Cc1ccc(C[C@@H](CO)NC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000187838134 1022950071 /nfs/dbraw/zinc/95/00/71/1022950071.db2.gz CCLKABSLOMDDEB-FQEVSTJZSA-N 0 0 367.493 2.998 20 10 FFCDRN CC1(C)C[C@@H](NC(=O)C(=O)NCCCSc2nccs2)CCS1 ZINC001119768943 1022986841 /nfs/dbraw/zinc/98/68/41/1022986841.db2.gz JWROHSPISGGXJA-NSHDSACASA-N 0 0 373.569 2.532 20 10 FFCDRN Cc1ccc(C[C@H](CO)NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000188176162 1023030530 /nfs/dbraw/zinc/03/05/30/1023030530.db2.gz IKBHTVWACPGIJB-HXUWFJFHSA-N 0 0 365.477 2.774 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(O)ccc3OC)CC2)cc1F ZINC000188301893 1023052994 /nfs/dbraw/zinc/05/29/94/1023052994.db2.gz RHIOUTVLVOAQKP-UHFFFAOYSA-N 0 0 360.385 2.511 20 10 FFCDRN CO[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)C1 ZINC000752322959 1023115995 /nfs/dbraw/zinc/11/59/95/1023115995.db2.gz WVPCTOXRMDZQJU-KRWDZBQOSA-N 0 0 370.449 2.769 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3coc(C=O)c3)cc2F)C[C@H](C)O1 ZINC001119843472 1023126028 /nfs/dbraw/zinc/12/60/28/1023126028.db2.gz CLFTXYTUWXMMAA-BETUJISGSA-N 0 0 360.385 2.775 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccnn1C[C@H]1CCOC1 ZINC001119884426 1023145159 /nfs/dbraw/zinc/14/51/59/1023145159.db2.gz AKCSYXJEQXDCEE-LLVKDONJSA-N 0 0 350.806 2.600 20 10 FFCDRN CO[C@@H](C)[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000188849304 1023150945 /nfs/dbraw/zinc/15/09/45/1023150945.db2.gz KPHCWVYBOIJZRK-MELADBBJSA-N 0 0 371.428 2.979 20 10 FFCDRN C[C@@H](N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1(C)CC1 ZINC000752876647 1023218608 /nfs/dbraw/zinc/21/86/08/1023218608.db2.gz AEDLPCBMPHFFLK-NVXWUHKLSA-N 0 0 372.513 2.718 20 10 FFCDRN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cc(Br)cc(OC)c2O)C1 ZINC001120063399 1023225261 /nfs/dbraw/zinc/22/52/61/1023225261.db2.gz ALSBUUUNKQSVAA-SKDRFNHKSA-N 0 0 358.232 2.595 20 10 FFCDRN COCCNC(=O)CNC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000076172431 1023241431 /nfs/dbraw/zinc/24/14/31/1023241431.db2.gz XOIGVUCVUMGRJS-UHFFFAOYSA-N 0 0 371.481 2.710 20 10 FFCDRN CCOC(=O)c1coc(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000753550511 1023351087 /nfs/dbraw/zinc/35/10/87/1023351087.db2.gz YMHONILLZNRNPT-UHFFFAOYSA-N 0 0 359.426 2.672 20 10 FFCDRN C[C@@H]1CC/C(=C/C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000753583887 1023354435 /nfs/dbraw/zinc/35/44/35/1023354435.db2.gz PCHQYELMGJZGTK-BESLQZQESA-N 0 0 355.482 2.751 20 10 FFCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N(C)C[C@H]1CCCO1 ZINC001122608005 1023366326 /nfs/dbraw/zinc/36/63/26/1023366326.db2.gz PZQDZXJXWOXZIO-CYBMUJFWSA-N 0 0 366.487 2.754 20 10 FFCDRN O=c1c2cc(O)c(O)cc2oc2cc(O)cc(OC3CCC(O)CC3)c21 ZINC001218370272 1033126938 /nfs/dbraw/zinc/12/69/38/1033126938.db2.gz SFDMGCUKGFWBRS-UHFFFAOYSA-N 0 0 358.346 2.745 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@]4(CCOC4=O)C3)c2C)cc1 ZINC001120771498 1023461635 /nfs/dbraw/zinc/46/16/35/1023461635.db2.gz LQFRMFTZMGWMFN-OAQYLSRUSA-N 0 0 368.433 2.882 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cccc(F)n3)cc2F)C[C@H](C)O1 ZINC000754405688 1023465330 /nfs/dbraw/zinc/46/53/30/1023465330.db2.gz KPQVDIQCWWGAID-STQMWFEESA-N 0 0 361.392 2.903 20 10 FFCDRN CNC(=O)[C@@H]1CCCCN1CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000754668652 1023501696 /nfs/dbraw/zinc/50/16/96/1023501696.db2.gz SSNFJQCPHGIRLY-IBGZPJMESA-N 0 0 353.466 2.877 20 10 FFCDRN CCNC(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(C)c1 ZINC000755010420 1023555017 /nfs/dbraw/zinc/55/50/17/1023555017.db2.gz CBMFXKNZRYDZRX-UHFFFAOYSA-N 0 0 357.410 2.520 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)[C@@H]3C[C@H]3c3ccncc3)C2)cc1 ZINC001121128708 1023616390 /nfs/dbraw/zinc/61/63/90/1023616390.db2.gz SVXTXUBMRYALJR-RYGJVYDSSA-N 0 0 351.450 2.836 20 10 FFCDRN COc1c(C)c(OC[C@H]2C[C@H](O)C2)cc2c1C(=O)c1ccccc1C2=O ZINC001218428173 1033151120 /nfs/dbraw/zinc/15/11/20/1033151120.db2.gz QQBWEUHUEQAFMU-JOCQHMNTSA-N 0 0 352.386 2.929 20 10 FFCDRN O=C(NCCc1cnc(C2CC2)nc1)NCc1c(O)ccc2c1CCCC2 ZINC000756093366 1023667634 /nfs/dbraw/zinc/66/76/34/1023667634.db2.gz YMJNLUXIZGRSCX-UHFFFAOYSA-N 0 0 366.465 2.980 20 10 FFCDRN Cc1cc(CCNC(=O)N[C@H](C)c2nc[nH]n2)c(C)n1-c1ccccc1 ZINC000779329826 1023676373 /nfs/dbraw/zinc/67/63/73/1023676373.db2.gz RQCDACBGGUHSJN-CQSZACIVSA-N 0 0 352.442 2.815 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3cc(C(N)=O)co3)c2C)cc1 ZINC000190754879 1023694773 /nfs/dbraw/zinc/69/47/73/1023694773.db2.gz NFZLJDVWUYDARA-UHFFFAOYSA-N 0 0 367.405 2.725 20 10 FFCDRN COCC(=O)Nc1cccc(C[NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])c1 ZINC000756379550 1023702916 /nfs/dbraw/zinc/70/29/16/1023702916.db2.gz OXTSQRVJYXVAPH-ZDUSSCGKSA-N 0 0 372.421 2.615 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000756477130 1023716239 /nfs/dbraw/zinc/71/62/39/1023716239.db2.gz WWCKAIRCJIPDRH-UKRRQHHQSA-N 0 0 354.406 2.635 20 10 FFCDRN C[C@@H]([NH2+]C[C@H](O)COc1ccc(F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756541929 1023724822 /nfs/dbraw/zinc/72/48/22/1023724822.db2.gz HTAQUHZDJWUCQA-PWSUYJOCSA-N 0 0 368.336 2.669 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000756571389 1023729708 /nfs/dbraw/zinc/72/97/08/1023729708.db2.gz ZEENJMYZHOHTHR-WCQYABFASA-N 0 0 361.392 2.699 20 10 FFCDRN CNC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000756693492 1023745199 /nfs/dbraw/zinc/74/51/99/1023745199.db2.gz VMUWOUZBRSTJGU-IBGZPJMESA-N 0 0 374.529 2.883 20 10 FFCDRN CCC1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCC1 ZINC000756916919 1023768896 /nfs/dbraw/zinc/76/88/96/1023768896.db2.gz 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COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](COC(N)=O)Cc2ccccc2)c1 ZINC000840862672 1029896210 /nfs/dbraw/zinc/89/62/10/1029896210.db2.gz BQZZGRSPWRYPNC-BBRMVZONSA-N 0 0 372.421 2.950 20 10 FFCDRN COC(=O)CCNC(=O)c1ccc(NCc2ccc(N(C)C)cc2C)cc1 ZINC000840883746 1029903255 /nfs/dbraw/zinc/90/32/55/1029903255.db2.gz HSCCWIWEBIHOMD-UHFFFAOYSA-N 0 0 369.465 2.966 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CCC(Cc3cccc(F)c3)CC2)cc1 ZINC000841009700 1029974476 /nfs/dbraw/zinc/97/44/76/1029974476.db2.gz RDURXKWGCZSVBR-UHFFFAOYSA-N 0 0 355.413 2.828 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841014531 1029976561 /nfs/dbraw/zinc/97/65/61/1029976561.db2.gz VWLGCWZMIYBFKC-UHFFFAOYSA-N 0 0 366.465 2.856 20 10 FFCDRN Cc1ccc(C[C@H]2CCCN(C(=O)C(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000841025873 1029986291 /nfs/dbraw/zinc/98/62/91/1029986291.db2.gz OCVPMCFYTRHILU-QGZVFWFLSA-N 0 0 351.450 2.997 20 10 FFCDRN CC[C@H](C(=O)Nc1c(-c2ccccn2)nc2ccccn21)N1CCCC1=O ZINC000841142468 1030070950 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COC(=O)c1cc(OCC(=O)N2CCCc3ccccc32)ccc1N(C)C ZINC001166714400 1030491803 /nfs/dbraw/zinc/49/18/03/1030491803.db2.gz TWNKXOXXOHAWIL-UHFFFAOYSA-N 0 0 368.433 2.897 20 10 FFCDRN C[C@@H](NC(=O)NCCc1ccc(N)cc1)c1noc(Cc2ccccc2)n1 ZINC000841854720 1030501618 /nfs/dbraw/zinc/50/16/18/1030501618.db2.gz GOQBZEGBEFRQRG-CQSZACIVSA-N 0 0 365.437 2.846 20 10 FFCDRN C[C@H](CNC(=O)NCCc1ccc(N)cc1)c1nc(-c2ccccc2)no1 ZINC000841867700 1030509182 /nfs/dbraw/zinc/50/91/82/1030509182.db2.gz MDGGSTQSSQACAY-CQSZACIVSA-N 0 0 365.437 2.964 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@H]1Oc1ccccc1 ZINC000841882303 1030519462 /nfs/dbraw/zinc/51/94/62/1030519462.db2.gz IELVZIQQCMUNEZ-VAMGGRTRSA-N 0 0 369.465 2.736 20 10 FFCDRN COC(=O)c1ccnc(N2CCc3c(c4cc(OC)ccc4n3C)C2)c1 ZINC001166818326 1030533011 /nfs/dbraw/zinc/53/30/11/1030533011.db2.gz CWPUGTNCXNBHBA-UHFFFAOYSA-N 0 0 351.406 2.931 20 10 FFCDRN CC(C)(C)O[C@@H]1C[C@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1n1cccn1 ZINC000841913899 1030540673 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COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](CO)OC(C)(C)C3)c2C)cc1 ZINC001142598804 1030635448 /nfs/dbraw/zinc/63/54/48/1030635448.db2.gz WLPWSZKHFGXULB-SFHVURJKSA-N 0 0 372.465 2.715 20 10 FFCDRN CCCN1C(=O)N([C@@H](C)Cc2ccc(N(C)C)cc2C)C(=O)[C@H]1COC ZINC000842265531 1030665416 /nfs/dbraw/zinc/66/54/16/1030665416.db2.gz UMKFOWFSYJPLPC-MAUKXSAKSA-N 0 0 361.486 2.681 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@@H](c2ccccn2)C1=O ZINC000842265994 1030665461 /nfs/dbraw/zinc/66/54/61/1030665461.db2.gz YWDMACCFDJRQFU-KSSFIOAISA-N 0 0 352.438 2.680 20 10 FFCDRN Cn1ncc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1-c1ccccc1 ZINC000784537293 1030669937 /nfs/dbraw/zinc/66/99/37/1030669937.db2.gz JWTKSHDVDLCWKP-UHFFFAOYSA-N 0 0 352.346 2.538 20 10 FFCDRN Cn1ncc2c1CN(Cc1ccccc1O)C[C@@H]2COc1cccnc1 ZINC001203551306 1030760523 /nfs/dbraw/zinc/76/05/23/1030760523.db2.gz BMJLJDGMYIYLLX-MRXNPFEDSA-N 0 0 350.422 2.699 20 10 FFCDRN C[S@@](=O)Cc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142728179 1030769313 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COc1n[nH]cc1-c1nnc(N(C)Cc2ccccc2O)n1CC(C)C ZINC001342905733 1051515321 /nfs/dbraw/zinc/51/53/21/1051515321.db2.gz QHNGMQWVUAGVMP-UHFFFAOYSA-N 0 0 356.430 2.675 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)CC2(C)C)c(O)c1O ZINC001304185813 1051567638 /nfs/dbraw/zinc/56/76/38/1051567638.db2.gz WZIXKPAMINICCY-CYBMUJFWSA-N 0 0 364.442 2.782 20 10 FFCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCC[C@H](CO)[C@H]1C ZINC001343025984 1051642695 /nfs/dbraw/zinc/64/26/95/1051642695.db2.gz MFECRWSHNZYQIF-CHWSQXEVSA-N 0 0 350.488 2.965 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2(O)CC2)n1Cc1ccccc1 ZINC001341352991 1051709679 /nfs/dbraw/zinc/70/96/79/1051709679.db2.gz ZEUBOSKKGIOJLW-UHFFFAOYSA-N 0 0 350.422 2.650 20 10 FFCDRN CC(C)OC(=O)C(C)(C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001343166618 1051790585 /nfs/dbraw/zinc/79/05/85/1051790585.db2.gz VGKJBFCNVUEWGQ-UHFFFAOYSA-N 0 0 361.467 2.776 20 10 FFCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2C[C@@H]2CCCO2)CCS1 ZINC001345279845 1052363975 /nfs/dbraw/zinc/36/39/75/1052363975.db2.gz 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CC(C)c1oncc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001346246673 1052803007 /nfs/dbraw/zinc/80/30/07/1052803007.db2.gz JWKQPLMJGSQRFH-UHFFFAOYSA-N 0 0 361.417 2.828 20 10 FFCDRN Cc1nc2c(s1)[C@H](N(C)C(=O)C(=O)N(C)Cc1ccccc1O)CCC2 ZINC001344787505 1052927609 /nfs/dbraw/zinc/92/76/09/1052927609.db2.gz LMHWFRPWLLURRM-OAHLLOKOSA-N 0 0 373.478 2.652 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2nnc(C3CC3)o2)n1CC1CC1 ZINC001346576098 1053120468 /nfs/dbraw/zinc/12/04/68/1053120468.db2.gz CSHYBJXUJGHWOW-UHFFFAOYSA-N 0 0 366.425 2.958 20 10 FFCDRN CCOc1ccc(CN2CCN(C(=O)NCc3ccc(N)cc3)CC2)cc1 ZINC001346738200 1053272814 /nfs/dbraw/zinc/27/28/14/1053272814.db2.gz DZHAZCUSUCXPEV-UHFFFAOYSA-N 0 0 368.481 2.695 20 10 FFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C34CCC(CC3)CC4)cc2)C1 ZINC001346749606 1053280540 /nfs/dbraw/zinc/28/05/40/1053280540.db2.gz LBJHTVNKQWACNK-ASNBIDDJSA-N 0 0 369.509 2.975 20 10 FFCDRN CC[C@H](CC(F)(F)F)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001346771680 1053296480 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Cc1cc(C(=O)Cn2cc(C[C@H](C)O)nn2)c(C)n1-c1ccccc1C ZINC001336891080 1054319171 /nfs/dbraw/zinc/31/91/71/1054319171.db2.gz UKAIGQSRMUHAFG-HNNXBMFYSA-N 0 0 352.438 2.800 20 10 FFCDRN Cn1nc(C2CCCCC2)cc1NC(=O)C(=O)NCc1c(O)cccc1F ZINC001348856217 1054964793 /nfs/dbraw/zinc/96/47/93/1054964793.db2.gz UNIFCDJFYGQSTA-UHFFFAOYSA-N 0 0 374.416 2.567 20 10 FFCDRN C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)NCc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC001351846231 1055028235 /nfs/dbraw/zinc/02/82/35/1055028235.db2.gz FDTQOIDIJAISHQ-BHYNMZESSA-N 0 0 358.269 2.838 20 10 FFCDRN CCn1c([C@H](O)COC)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001352225843 1055287914 /nfs/dbraw/zinc/28/79/14/1055287914.db2.gz IMEZWGAASDEGOC-GOSISDBHSA-N 0 0 373.501 2.605 20 10 FFCDRN O=C(NC1CC1)[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001338235853 1055346098 /nfs/dbraw/zinc/34/60/98/1055346098.db2.gz VHJXOVCPFDOBSG-SNVBAGLBSA-N 0 0 371.250 2.784 20 10 FFCDRN COC(=O)[C@]12CN(C(=O)NCc3ccc(N(C)C)cc3)C[C@H]1CCCC2 ZINC000847277803 1055371391 /nfs/dbraw/zinc/37/13/91/1055371391.db2.gz UEFSRYDRQFAXLX-OXQOHEQNSA-N 0 0 359.470 2.627 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@@](OC)(C(F)(F)F)C1 ZINC001356279358 1055432180 /nfs/dbraw/zinc/43/21/80/1055432180.db2.gz WQFFSBACQUNMCL-ZDUSSCGKSA-N 0 0 362.377 2.890 20 10 FFCDRN CCn1c(-c2ccc3c(c2)C(=O)NC3)nnc1N(C)Cc1ccccc1O ZINC001356407395 1055492979 /nfs/dbraw/zinc/49/29/79/1055492979.db2.gz IHGVQVPVCIDZEL-UHFFFAOYSA-N 0 0 363.421 2.550 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2nccn2C)C(F)(F)F)c1 ZINC001349858615 1055503419 /nfs/dbraw/zinc/50/34/19/1055503419.db2.gz SPZKBSQRLWPHIM-ZANVPECISA-N 0 0 372.347 2.798 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N1CCC(F)(F)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001352543130 1055580299 /nfs/dbraw/zinc/58/02/99/1055580299.db2.gz RDHISZOLQIFNNY-QWHCGFSZSA-N 0 0 353.413 2.576 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCCC4(CC4)C3)cc2)CC1 ZINC001350319462 1055722942 /nfs/dbraw/zinc/72/29/42/1055722942.db2.gz IKVPVXWDBKMDPG-GOSISDBHSA-N 0 0 369.509 2.975 20 10 FFCDRN COC(=O)c1cccc2c1CN(c1nnc(C3SC=CC3=O)n1C)CC2 ZINC001350470622 1055790313 /nfs/dbraw/zinc/79/03/13/1055790313.db2.gz QSEHOEOCTCYOJL-UHFFFAOYSA-N 0 0 370.434 2.599 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc2c1CCN2 ZINC001357338806 1055870789 /nfs/dbraw/zinc/87/07/89/1055870789.db2.gz XYLFPWYMKBIXRF-UHFFFAOYSA-N 0 0 351.450 2.763 20 10 FFCDRN Cc1c(C(=O)NCc2ccccc2O)cc(CNC(=O)OC(C)(C)C)n1C ZINC001338905037 1055921764 /nfs/dbraw/zinc/92/17/64/1055921764.db2.gz OCKTZDQMRMXZKM-UHFFFAOYSA-N 0 0 373.453 2.994 20 10 FFCDRN Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccc(N(C)C)cc3)c2n1 ZINC001350758125 1055925083 /nfs/dbraw/zinc/92/50/83/1055925083.db2.gz AJDDLQGQCCUVGQ-UHFFFAOYSA-N 0 0 359.380 2.971 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000847500714 1055941295 /nfs/dbraw/zinc/94/12/95/1055941295.db2.gz NPILCIQUDOQWMQ-JOCHJYFZSA-N 0 0 365.477 2.525 20 10 FFCDRN CCCn1cc(C(=O)NCc2cccc(Br)c2O)c(C)n1 ZINC001338964427 1055971877 /nfs/dbraw/zinc/97/18/77/1055971877.db2.gz NUNDKMALLCGSFV-UHFFFAOYSA-N 0 0 352.232 3.000 20 10 FFCDRN Cc1cc(CNC(=O)c2nn(C)cc2[N+](=O)[O-])c(C)n1-c1ccccc1 ZINC001544078957 1071592458 /nfs/dbraw/zinc/59/24/58/1071592458.db2.gz DRZLVOCOJDYMNJ-UHFFFAOYSA-N 0 0 353.382 2.666 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NC[C@@H]2CCN(C(N)=O)C2)c1 ZINC001351013710 1056042069 /nfs/dbraw/zinc/04/20/69/1056042069.db2.gz VMDHFMNJZGRYDT-AWEZNQCLSA-N 0 0 374.872 2.878 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2nnc([C@H](C)O)n2CC(C)C)cc1 ZINC001357986443 1056089659 /nfs/dbraw/zinc/08/96/59/1056089659.db2.gz AMLNNUGPYRWTSG-HNNXBMFYSA-N 0 0 361.490 2.569 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@](C)(O)CCc2ccccc2)cc1 ZINC001300282019 1056351728 /nfs/dbraw/zinc/35/17/28/1056351728.db2.gz UQDGOWBQOIOKIK-QFIPXVFZSA-N 0 0 370.493 2.974 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC(C(=O)OC(C)(C)C)CC1 ZINC001339454055 1056468612 /nfs/dbraw/zinc/46/86/12/1056468612.db2.gz HRNZVCDDJSJLMW-UHFFFAOYSA-N 0 0 364.471 2.807 20 10 FFCDRN COc1ccc(N2CCCN(c3nnc(C(C)(F)F)n3C)CC2)cc1 ZINC001339461071 1056477909 /nfs/dbraw/zinc/47/79/09/1056477909.db2.gz RZYJORUDUDKJSV-UHFFFAOYSA-N 0 0 351.401 2.652 20 10 FFCDRN C[C@H](NC(=O)c1cccc2c1CCN2)c1ccc(N2CCOCC2)cc1 ZINC001353517970 1056488011 /nfs/dbraw/zinc/48/80/11/1056488011.db2.gz LUFVPHZITLHMHN-HNNXBMFYSA-N 0 0 351.450 2.982 20 10 FFCDRN Cn1c2ccc(OC(=O)c3ccc(-n4cnnn4)cn3)cc2c2c1CCCC2 ZINC000847735633 1056488552 /nfs/dbraw/zinc/48/85/52/1056488552.db2.gz VCXVGNFTEMAQGC-UHFFFAOYSA-N 0 0 374.404 2.647 20 10 FFCDRN COc1ccc(N2CC[C@H](N3C(=O)N[C@](C)(c4ccccc4)C3=O)C2)cc1 ZINC000849357322 1056841600 /nfs/dbraw/zinc/84/16/00/1056841600.db2.gz LKXWXBUBRMDBGN-LAUBAEHRSA-N 0 0 365.433 2.741 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cccc4ccoc43)C2)cc1 ZINC000849417570 1056848663 /nfs/dbraw/zinc/84/86/63/1056848663.db2.gz VIASUQHUKOLYHN-OAHLLOKOSA-N 0 0 372.446 2.999 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C1=NN(c2ccc(F)cc2)C(=O)CC1 ZINC001445653199 1058428198 /nfs/dbraw/zinc/42/81/98/1058428198.db2.gz UWBCHIMJTXGUDM-UHFFFAOYSA-N 0 0 355.369 2.673 20 10 FFCDRN CCOC(=O)C1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CCCC1 ZINC001354007908 1058490438 /nfs/dbraw/zinc/49/04/38/1058490438.db2.gz RCYKJXIYKUGVDJ-UHFFFAOYSA-N 0 0 373.497 2.992 20 10 FFCDRN CCOC(=O)CN(Cc1ccc(OC)cc1)C(=S)NCc1ccco1 ZINC001200560866 1058589647 /nfs/dbraw/zinc/58/96/47/1058589647.db2.gz ICQQEZDSFLVFNF-UHFFFAOYSA-N 0 0 362.451 2.728 20 10 FFCDRN Cc1cc(C(=O)OCc2nnn(C(C)(C)C)n2)c(C)n1-c1ccccn1 ZINC000848000662 1058634837 /nfs/dbraw/zinc/63/48/37/1058634837.db2.gz QMXJJLMMHLPHSQ-UHFFFAOYSA-N 0 0 354.414 2.588 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H]3Cc4cccnc4C3)C2)cc1 ZINC001519117115 1058636666 /nfs/dbraw/zinc/63/66/66/1058636666.db2.gz OUWCGHTWNZPCTC-WBVHZDCISA-N 0 0 352.434 2.875 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CC[C@H](Nc2cnccn2)CC1 ZINC001447562631 1058670471 /nfs/dbraw/zinc/67/04/71/1058670471.db2.gz LBVCVOLRMDJYDW-BPUTZDHNSA-N 0 0 370.453 2.606 20 10 FFCDRN CON(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc2c(c1)CCCN2C ZINC001519463968 1058761320 /nfs/dbraw/zinc/76/13/20/1058761320.db2.gz LFRIUAARYCOSOW-UHFFFAOYSA-N 0 0 352.442 2.702 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](O)[C@@H](C)c1ccccc1F ZINC001449117394 1058866271 /nfs/dbraw/zinc/86/62/71/1058866271.db2.gz HLARSUBTUKCNPB-YVEFUNNKSA-N 0 0 352.402 2.798 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@]1(C)Cc2ccc(C)cc2C(=O)O1 ZINC001449122093 1058866846 /nfs/dbraw/zinc/86/68/46/1058866846.db2.gz NKWCDDKTHTWCDT-NRFANRHFSA-N 0 0 374.433 2.974 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001450311336 1059004074 /nfs/dbraw/zinc/00/40/74/1059004074.db2.gz QFXLOKNITBPHSV-NSHDSACASA-N 0 0 371.363 2.853 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H]1c2ccccc2CC12CCOCC2 ZINC001450697285 1059042594 /nfs/dbraw/zinc/04/25/94/1059042594.db2.gz FMCDFOQOIALWAE-FQEVSTJZSA-N 0 0 353.418 2.851 20 10 FFCDRN Fc1cc(F)cc(NC(=S)NCc2cc(OC3COC3)ccn2)c1 ZINC001200677609 1059058127 /nfs/dbraw/zinc/05/81/27/1059058127.db2.gz VAEJZWUKHAAKSA-UHFFFAOYSA-N 0 0 351.378 2.624 20 10 FFCDRN CO[C@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O)C(C)C ZINC001503987114 1059128333 /nfs/dbraw/zinc/12/83/33/1059128333.db2.gz OLDATDNRDUNOME-FUHWJXTLSA-N 0 0 374.485 2.795 20 10 FFCDRN COCCOc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001451946133 1059168675 /nfs/dbraw/zinc/16/86/75/1059168675.db2.gz CCOAGVITJSGNMB-UHFFFAOYSA-N 0 0 352.390 2.896 20 10 FFCDRN Cc1cc(C(=O)Nc2cncnc2-n2cccn2)c(C)n1-c1ccccn1 ZINC001452542575 1059244863 /nfs/dbraw/zinc/24/48/63/1059244863.db2.gz PUBZHTDIKINOKJ-UHFFFAOYSA-N 0 0 359.393 2.717 20 10 FFCDRN COCCn1c(C2Sc3ncccc3C2=O)nnc1N1CCCCC1 ZINC001354831068 1059545610 /nfs/dbraw/zinc/54/56/10/1059545610.db2.gz VJQFUQVLURDSPG-UHFFFAOYSA-N 0 0 359.455 2.897 20 10 FFCDRN CCN(C)c1nnc(C2CCC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001515349410 1059593243 /nfs/dbraw/zinc/59/32/43/1059593243.db2.gz KVVDTJMKBAPVRW-UHFFFAOYSA-N 0 0 355.486 2.887 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)c(C)n1-c1ccccn1 ZINC000848294886 1059625569 /nfs/dbraw/zinc/62/55/69/1059625569.db2.gz IJKSZVOJLAJKFC-YESZJQIVSA-N 0 0 370.497 2.717 20 10 FFCDRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](C(=O)NCc1cc(O)ccc1O)C2 ZINC001455352334 1059768323 /nfs/dbraw/zinc/76/83/23/1059768323.db2.gz IAFKOGGWPOIXEQ-SNPRPXQTSA-N 0 0 362.426 2.502 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2nccs2)n1C[C@H]1CCOC1 ZINC001515765467 1059784089 /nfs/dbraw/zinc/78/40/89/1059784089.db2.gz CQFLMFIQQAKVJF-CYBMUJFWSA-N 0 0 371.466 2.780 20 10 FFCDRN CO[C@H]1CCN(c2nnc(C3Sc4ncccc4C3=O)n2CC2CC2)C1 ZINC001520625010 1059887787 /nfs/dbraw/zinc/88/77/87/1059887787.db2.gz HMUMNAXVJHGFPR-LBPRGKRZSA-N 0 0 371.466 2.896 20 10 FFCDRN O=C(CCOc1cccc(Br)c1)NCc1c(O)cccc1O ZINC001456235396 1060063132 /nfs/dbraw/zinc/06/31/32/1060063132.db2.gz JEJMSUNDYXNKFY-UHFFFAOYSA-N 0 0 366.211 2.946 20 10 FFCDRN CCOC(=O)c1nc[nH]c1CNC(=O)c1sccc1-n1c(C)ccc1C ZINC001456403329 1060116215 /nfs/dbraw/zinc/11/62/15/1060116215.db2.gz ZWKJRYJDPBFYMS-UHFFFAOYSA-N 0 0 372.450 2.985 20 10 FFCDRN Cc1cccc(N2CCN(c3nnc(C4SC=CC4=O)n3C)CC2)c1 ZINC001355345192 1060153063 /nfs/dbraw/zinc/15/30/63/1060153063.db2.gz SFINUUVSFWUXOF-UHFFFAOYSA-N 0 0 355.467 2.884 20 10 FFCDRN Cn1ccnc1[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1F ZINC001456932337 1060232647 /nfs/dbraw/zinc/23/26/47/1060232647.db2.gz SLQMNVRQCOPXLM-GOSISDBHSA-N 0 0 373.359 2.558 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)Nc3cc4n(n3)CCNC4)c2C)cc1 ZINC001355441496 1060244429 /nfs/dbraw/zinc/24/44/29/1060244429.db2.gz KLTWUXWWXVHYPZ-UHFFFAOYSA-N 0 0 365.437 2.655 20 10 FFCDRN CCN(CC)c1nnc(C2CC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001547458685 1071961279 /nfs/dbraw/zinc/96/12/79/1071961279.db2.gz SIXMCQYDMOTRSP-UHFFFAOYSA-N 0 0 355.486 2.887 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCOC1 ZINC001517149233 1060371039 /nfs/dbraw/zinc/37/10/39/1060371039.db2.gz OIHPAKHBILEDCT-CRAIPNDOSA-N 0 0 372.469 2.898 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1cnc2ccnn2c1C(F)F ZINC001458031078 1060492357 /nfs/dbraw/zinc/49/23/57/1060492357.db2.gz DXKUMYNZUXOOHK-UHFFFAOYSA-N 0 0 352.728 2.956 20 10 FFCDRN Cc1noc(-c2ccc(NC(=O)C3=S=NC(c4ccccc4)=C3)cn2)n1 ZINC001460190153 1060917770 /nfs/dbraw/zinc/91/77/70/1060917770.db2.gz XZHHUBFAYYEMPF-UHFFFAOYSA-N 0 0 363.402 2.872 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)N(C)[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000938731186 1061095460 /nfs/dbraw/zinc/09/54/60/1061095460.db2.gz QEFFDBQTEWTKMS-UHOFOFEASA-N 0 0 371.441 2.568 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CC=NO2)n1C[C@@H]1CCCCO1 ZINC001526460937 1061136354 /nfs/dbraw/zinc/13/63/54/1061136354.db2.gz RQSVMJDKRASRJW-DOTOQJQBSA-N 0 0 371.441 2.636 20 10 FFCDRN CCc1ncc(Cl)c(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC001461075406 1061202576 /nfs/dbraw/zinc/20/25/76/1061202576.db2.gz FLRYFZMHEAYJNW-CYBMUJFWSA-N 0 0 374.872 2.957 20 10 FFCDRN CN(C)c1ccc(CNCc2cc(S(C)(=O)=O)ccc2F)cc1F ZINC001461460688 1061324279 /nfs/dbraw/zinc/32/42/79/1061324279.db2.gz QHGDFVUEYBYCRK-UHFFFAOYSA-N 0 0 354.422 2.724 20 10 FFCDRN CN(C)c1ccc(CNC(=O)/C=C/c2ccc3c(c2)NC(=O)CO3)cc1F ZINC001527013399 1061359175 /nfs/dbraw/zinc/35/91/75/1061359175.db2.gz CEMIZKGPTVELJY-VMPITWQZSA-N 0 0 369.396 2.552 20 10 FFCDRN O=C(NCCOCC1CC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001476767674 1061475421 /nfs/dbraw/zinc/47/54/21/1061475421.db2.gz FJMZJUUDFUYOLW-UHFFFAOYSA-N 0 0 351.410 2.944 20 10 FFCDRN [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC001462199201 1061533755 /nfs/dbraw/zinc/53/37/55/1061533755.db2.gz FZDDJPLZWOIQIL-BEFAXECRSA-N 0 0 362.420 2.643 20 10 FFCDRN COc1ccc(CN2CCNC(=O)[C@@H]2CC2CCCCC2)c(O)c1OC ZINC001462355046 1061593475 /nfs/dbraw/zinc/59/34/75/1061593475.db2.gz HSENTIPDCDMFKA-INIZCTEOSA-N 0 0 362.470 2.680 20 10 FFCDRN CC1(c2nnc(C3CCOCC3)o2)CN(Cc2cc(F)c(F)cc2O)C1 ZINC001462451469 1061629478 /nfs/dbraw/zinc/62/94/78/1061629478.db2.gz LRQZPFQLEUQMJQ-UHFFFAOYSA-N 0 0 365.380 2.721 20 10 FFCDRN CN(C)c1ccc(CN(c2ccc3ncc([N+](=O)[O-])n3n2)C2CC2)cc1 ZINC000767205389 1061747746 /nfs/dbraw/zinc/74/77/46/1061747746.db2.gz WIAYXJSTBGCBIY-UHFFFAOYSA-N 0 0 352.398 2.873 20 10 FFCDRN Cc1cc2n[nH]cc2cc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC001462927283 1061847558 /nfs/dbraw/zinc/84/75/58/1061847558.db2.gz DHDSHMBOJDDDBN-UHFFFAOYSA-N 0 0 370.478 2.732 20 10 FFCDRN C[C@@H]1Cc2cccc(S(=O)(=O)NCc3ccc4c(c3)CCCN4C)c2O1 ZINC001462929025 1061849723 /nfs/dbraw/zinc/84/97/23/1061849723.db2.gz KCWIAXHWOHCGOR-CQSZACIVSA-N 0 0 372.490 2.871 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](O)c2c[nH]cn2)c(C)n1-c1cc(C)cc(C)c1 ZINC001528869343 1062069350 /nfs/dbraw/zinc/06/93/50/1062069350.db2.gz FTCNLJITZQDEPY-LJQANCHMSA-N 0 0 352.438 2.897 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCCOCC2CCCC2)cc1 ZINC001478774832 1062111047 /nfs/dbraw/zinc/11/10/47/1062111047.db2.gz CTURPHRETWQXID-UHFFFAOYSA-N 0 0 363.502 2.980 20 10 FFCDRN Cc1nnc(N(C)Cc2ccc(N3CCCC3)cc2)n1CCc1cn[nH]c1 ZINC001492780323 1062203426 /nfs/dbraw/zinc/20/34/26/1062203426.db2.gz JTUUHRAKLSADOU-UHFFFAOYSA-N 0 0 365.485 2.789 20 10 FFCDRN C[C@H]1Oc2ccc(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2NC1=O ZINC001463806517 1062269710 /nfs/dbraw/zinc/26/97/10/1062269710.db2.gz JHWIWEMSBRNLQY-SECBINFHSA-N 0 0 353.338 2.821 20 10 FFCDRN O=C(NCc1nc(Cc2ccccc2F)no1)N1Cc2cccc(O)c2C1 ZINC001479309723 1062313684 /nfs/dbraw/zinc/31/36/84/1062313684.db2.gz WIRAQYDXQLXDPX-UHFFFAOYSA-N 0 0 368.368 2.731 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2ccc(O)cc2O)ccc1C(F)(F)F ZINC001463909802 1062328610 /nfs/dbraw/zinc/32/86/10/1062328610.db2.gz DWDLCBLKVXXFMB-UHFFFAOYSA-N 0 0 361.341 2.904 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc4ccccc4oc3=O)C2)cc1 ZINC001437578816 1062882716 /nfs/dbraw/zinc/88/27/16/1062882716.db2.gz OOCLESYGCFFPCM-OAHLLOKOSA-N 0 0 364.401 2.810 20 10 FFCDRN CCc1ncsc1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001546152101 1062981477 /nfs/dbraw/zinc/98/14/77/1062981477.db2.gz SJRKPIKXDAKFMD-UHFFFAOYSA-N 0 0 368.842 2.880 20 10 FFCDRN CN(C[C@H]1CCCO1)c1nnc(C2SC=CC2=O)n1C[C@H]1CCCO1 ZINC001525097778 1063145414 /nfs/dbraw/zinc/14/54/14/1063145414.db2.gz ICQUZKBVROWPHZ-CHWSQXEVSA-N 0 0 364.471 2.506 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H](C)S(C)(=O)=O ZINC001466397853 1063423029 /nfs/dbraw/zinc/42/30/29/1063423029.db2.gz ASOJBFLDPCGPKO-CABCVRRESA-N 0 0 361.463 2.915 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCc2cccnc2OCC(F)F)cc1 ZINC001466615594 1063495911 /nfs/dbraw/zinc/49/59/11/1063495911.db2.gz YOHCUAYYYBOAHU-UHFFFAOYSA-N 0 0 363.324 2.818 20 10 FFCDRN Cn1nnnc1-c1ccccc1NC(=O)NCc1cccc(Cl)c1O ZINC001467174437 1063659758 /nfs/dbraw/zinc/65/97/58/1063659758.db2.gz BBLAOEXMXWOFAZ-UHFFFAOYSA-N 0 0 358.789 2.558 20 10 FFCDRN CN(c1ccc(CNC(=O)Nc2cnn(C)c(=O)c2)cc1)C1CCCCC1 ZINC001467413989 1063739388 /nfs/dbraw/zinc/73/93/88/1063739388.db2.gz DDRRSGDDXBFSLD-UHFFFAOYSA-N 0 0 369.469 2.871 20 10 FFCDRN C[C@H](NC(=O)Nc1cc(=O)n(C)cc1Br)c1ccccc1O ZINC001467450219 1063750350 /nfs/dbraw/zinc/75/03/50/1063750350.db2.gz PRNCAWUQFPVFJZ-VIFPVBQESA-N 0 0 366.215 2.736 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cc(F)cc(F)c3N)C2)cc1 ZINC001469279930 1064120070 /nfs/dbraw/zinc/12/00/70/1064120070.db2.gz 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2.799 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCCO[C@H]2CCOC2)ccc1C ZINC001472016698 1064891183 /nfs/dbraw/zinc/89/11/83/1064891183.db2.gz OKROFHVVIKCNGJ-IBGZPJMESA-N 0 0 370.449 2.750 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H](CO)c1ccccc1C(F)(F)F ZINC001472032177 1064901793 /nfs/dbraw/zinc/90/17/93/1064901793.db2.gz FNNLFRUWTYFZCA-ZDUSSCGKSA-N 0 0 355.312 2.509 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1cc(COc2ccccc2F)on1 ZINC001472063104 1064914172 /nfs/dbraw/zinc/91/41/72/1064914172.db2.gz CMVHCPAZEGZRFE-UHFFFAOYSA-N 0 0 358.325 2.734 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CC[C@@H](O)[C@@H](O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001472119244 1064941063 /nfs/dbraw/zinc/94/10/63/1064941063.db2.gz MKRWVEXVXBPUOB-AHRSYUTCSA-N 0 0 356.466 2.715 20 10 FFCDRN CN1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1=O ZINC001472758146 1065140115 /nfs/dbraw/zinc/14/01/15/1065140115.db2.gz DMVBQQHTNPXDTG-CQSZACIVSA-N 0 0 353.378 2.859 20 10 FFCDRN O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474510528 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COc1ccc(N2CCN(CCNC(=O)[C@@H]3C[C@H]3C(C)(C)C)CC2)cc1 ZINC001583758476 1079260430 /nfs/dbraw/zinc/26/04/30/1079260430.db2.gz QZAIPBWEXCZCGP-RTBURBONSA-N 0 0 359.514 2.616 20 10 FFCDRN CC(C)C[C@H](O)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562965813 1074797000 /nfs/dbraw/zinc/79/70/00/1074797000.db2.gz BKYIUGVDTGXVAU-AWEZNQCLSA-N 0 0 353.426 2.925 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CC1 ZINC001556232406 1075719257 /nfs/dbraw/zinc/71/92/57/1075719257.db2.gz IXRGSPAMSVQZPG-CQSZACIVSA-N 0 0 364.442 2.546 20 10 FFCDRN Cc1cc(CC(=O)N2[C@H](C)C(=O)N[C@H](C)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001557312701 1075837570 /nfs/dbraw/zinc/83/75/70/1075837570.db2.gz DPIIIQQZNVAOJI-HLLBOEOZSA-N 0 0 353.466 2.761 20 10 FFCDRN COC(=O)c1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n(C)c1C ZINC001558118991 1075946430 /nfs/dbraw/zinc/94/64/30/1075946430.db2.gz IBIXIKVLWCOJJF-UHFFFAOYSA-N 0 0 374.418 2.676 20 10 FFCDRN Cc1c(NCc2ccc(N3CCN(C)CC3)c(F)c2)cccc1C(N)=O ZINC001560381205 1076269525 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COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(-n3cc[nH]c3=O)cc2)c1 ZINC001566374689 1076952966 /nfs/dbraw/zinc/95/29/66/1076952966.db2.gz QNTYFPPKOCSIGL-GFCCVEGCSA-N 0 0 353.378 2.783 20 10 FFCDRN C[C@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001566678254 1076974173 /nfs/dbraw/zinc/97/41/73/1076974173.db2.gz KANKTBSGAQNVJE-NSHDSACASA-N 0 0 363.418 2.740 20 10 FFCDRN O=C(N[C@@H](CO)C[C@@H](O)c1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001567252205 1077008737 /nfs/dbraw/zinc/00/87/37/1077008737.db2.gz CEOPLXQBWQULCQ-ZIAGYGMSSA-N 0 0 373.430 2.527 20 10 FFCDRN Cc1ccc(C2=NO[C@@H](C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001567467179 1077030319 /nfs/dbraw/zinc/03/03/19/1077030319.db2.gz CYSHJKSSRRKNMQ-ORAYPTAESA-N 0 0 354.406 2.647 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC001568898289 1077116920 /nfs/dbraw/zinc/11/69/20/1077116920.db2.gz PJLQXFAOTHHCIU-FGTMMUONSA-N 0 0 353.418 2.671 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC001568898290 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FFCDRN O=C1NCCN1CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000289534689 511104499 /nfs/dbraw/zinc/10/44/99/511104499.db2.gz DZWKLGXHDZPWBL-MRXNPFEDSA-N 0 0 372.494 2.846 20 10 FFCDRN C[C@H](NCc1ncnn1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000279501525 511106643 /nfs/dbraw/zinc/10/66/43/511106643.db2.gz MQOYAZHWGOKHAR-KRWDZBQOSA-N 0 0 363.465 2.955 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000297927936 511112338 /nfs/dbraw/zinc/11/23/38/511112338.db2.gz QZYNZNBLABFOQL-AWEZNQCLSA-N 0 0 373.419 2.852 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H](CNC(=O)OC(C)(C)C)OC ZINC000289857222 511118102 /nfs/dbraw/zinc/11/81/02/511118102.db2.gz QTSDAGAZDMGOOG-MRXNPFEDSA-N 0 0 366.458 2.671 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(SC)CC1 ZINC000290185766 511129016 /nfs/dbraw/zinc/12/90/16/511129016.db2.gz SSEDUUGDPMHTDO-UHFFFAOYSA-N 0 0 350.484 2.533 20 10 FFCDRN COCc1nc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cs1 ZINC000290688773 511148938 /nfs/dbraw/zinc/14/89/38/511148938.db2.gz MFNDCRKHAHEEIE-UHFFFAOYSA-N 0 0 360.483 2.889 20 10 FFCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000290780424 511150532 /nfs/dbraw/zinc/15/05/32/511150532.db2.gz NAWHNVVBSMQCOO-RBUKOAKNSA-N 0 0 373.497 2.622 20 10 FFCDRN CN(C)c1cccnc1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000290887541 511153030 /nfs/dbraw/zinc/15/30/30/511153030.db2.gz FJZCMWFAQVPGQZ-UHFFFAOYSA-N 0 0 354.454 2.731 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)O[C@]2(CCCOC2)C1 ZINC000332976053 511166351 /nfs/dbraw/zinc/16/63/51/511166351.db2.gz LEWJUIFAYNHJGS-QVKFZJNVSA-N 0 0 371.481 2.966 20 10 FFCDRN CC[C@@H](C)[C@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271399592 511191069 /nfs/dbraw/zinc/19/10/69/511191069.db2.gz NJDSMVSHFRDMMS-IUODEOHRSA-N 0 0 354.472 2.805 20 10 FFCDRN CCCc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)no1 ZINC000294898433 511213596 /nfs/dbraw/zinc/21/35/96/511213596.db2.gz RJJUQTINKOYSNE-UHFFFAOYSA-N 0 0 361.417 2.657 20 10 FFCDRN Cc1ccc2ncc(C(=O)NCc3ccc(N4CCCC4)cc3)c(=O)n2c1 ZINC000298375606 511264080 /nfs/dbraw/zinc/26/40/80/511264080.db2.gz FZXMFGPEEXASBU-UHFFFAOYSA-N 0 0 362.433 2.533 20 10 FFCDRN CO[C@@]1(C)CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CC1 ZINC000279937205 511274013 /nfs/dbraw/zinc/27/40/13/511274013.db2.gz IGERKKXCAXTZNZ-JLXBBBJOSA-N 0 0 358.482 2.954 20 10 FFCDRN CCOC(=O)c1csc([C@@H]2CCCN2C(=O)c2cccc(O)c2O)n1 ZINC000365143513 511282917 /nfs/dbraw/zinc/28/29/17/511282917.db2.gz ZHWVLINGHRQUHE-LBPRGKRZSA-N 0 0 362.407 2.708 20 10 FFCDRN CCOc1cccc(CNC(=O)CSc2ncc(C(=O)OC)s2)c1 ZINC000295158896 511304583 /nfs/dbraw/zinc/30/45/83/511304583.db2.gz GLKWQXWVWVJVIN-UHFFFAOYSA-N 0 0 366.464 2.737 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3coc4c3C(=O)CCC4)CC2)cc1F ZINC000295183341 511313450 /nfs/dbraw/zinc/31/34/50/511313450.db2.gz TYXULVUTUONYIB-UHFFFAOYSA-N 0 0 372.396 2.909 20 10 FFCDRN CCn1c(CC2CC2)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000283308304 511316347 /nfs/dbraw/zinc/31/63/47/511316347.db2.gz XVABXGSUGCXAFD-UHFFFAOYSA-N 0 0 359.449 2.725 20 10 FFCDRN Cc1csc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000283404326 511354925 /nfs/dbraw/zinc/35/49/25/511354925.db2.gz IVPQLLQISYZHLI-UHFFFAOYSA-N 0 0 374.510 2.571 20 10 FFCDRN C[C@@H]1C[C@@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC000271979719 511389854 /nfs/dbraw/zinc/38/98/54/511389854.db2.gz OHZRAAPVXHJJFH-AIANPOQGSA-N 0 0 364.461 2.871 20 10 FFCDRN C[C@@H](O)c1ncc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000283555366 511413542 /nfs/dbraw/zinc/41/35/42/511413542.db2.gz VJMFLAWJARESBU-OCCSQVGLSA-N 0 0 362.451 2.723 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N(Cc2cccc(F)c2)C2CC2)cc1 ZINC000283602235 511429798 /nfs/dbraw/zinc/42/97/98/511429798.db2.gz UVUKCZLSXQGGIV-UHFFFAOYSA-N 0 0 369.440 2.699 20 10 FFCDRN CC(=O)c1ccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000299078361 511506169 /nfs/dbraw/zinc/50/61/69/511506169.db2.gz DRLMYFIDDSYTMJ-UHFFFAOYSA-N 0 0 352.434 2.585 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)NCCn2ccnc2)cc1 ZINC000299095654 511513891 /nfs/dbraw/zinc/51/38/91/511513891.db2.gz VOVIMBUEFWHQMB-UHFFFAOYSA-N 0 0 367.453 2.954 20 10 FFCDRN COc1ccc(OC)c(CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273231866 511520569 /nfs/dbraw/zinc/52/05/69/511520569.db2.gz WZRMDMASFUOMKH-ZDUSSCGKSA-N 0 0 359.422 2.795 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)c1Br ZINC000273283064 511522263 /nfs/dbraw/zinc/52/22/63/511522263.db2.gz WWQPFEFBJLWFNZ-UHFFFAOYSA-N 0 0 365.275 2.911 20 10 FFCDRN C[C@H]([NH2+]C1CCN(C(=O)c2ccoc2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273407632 511524164 /nfs/dbraw/zinc/52/41/64/511524164.db2.gz OVVZHJGQCPDPGL-LBPRGKRZSA-N 0 0 359.382 2.849 20 10 FFCDRN COc1cc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(OC)c1OC ZINC000273467959 511527988 /nfs/dbraw/zinc/52/79/88/511527988.db2.gz HSXHSEKDLHWXID-UHFFFAOYSA-N 0 0 373.409 2.947 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 ZINC000273479986 511528007 /nfs/dbraw/zinc/52/80/07/511528007.db2.gz LUKZJUDPRPKBJQ-LLVKDONJSA-N 0 0 356.378 2.707 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCCc2occc21 ZINC000283877352 511530422 /nfs/dbraw/zinc/53/04/22/511530422.db2.gz CATYDDGZQLAMDM-SFHVURJKSA-N 0 0 367.449 2.690 20 10 FFCDRN C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273559507 511534351 /nfs/dbraw/zinc/53/43/51/511534351.db2.gz HTUYTJONEXNDET-CYBMUJFWSA-N 0 0 359.430 2.902 20 10 FFCDRN CCN(CCOC)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000299169166 511537800 /nfs/dbraw/zinc/53/78/00/511537800.db2.gz INTQOYUKXSMHIS-GJZGRUSLSA-N 0 0 367.465 2.617 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1noc2c1CCCC2 ZINC000299167475 511537807 /nfs/dbraw/zinc/53/78/07/511537807.db2.gz ROEIORJEMMGOKV-UHFFFAOYSA-N 0 0 369.465 2.692 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000273610869 511550503 /nfs/dbraw/zinc/55/05/03/511550503.db2.gz VTJZLKZODUXHLJ-RDTXWAMCSA-N 0 0 370.449 2.529 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccc(OCC(F)F)cc2)c1O ZINC000273634644 511557234 /nfs/dbraw/zinc/55/72/34/511557234.db2.gz XMPAYIXCXYAVCN-UHFFFAOYSA-N 0 0 373.377 2.523 20 10 FFCDRN CC(=O)CCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000299247889 511564871 /nfs/dbraw/zinc/56/48/71/511564871.db2.gz OCCCBUFQAAHOFQ-HUUCEWRRSA-N 0 0 350.434 2.815 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@]12CCCO2 ZINC000273705867 511581061 /nfs/dbraw/zinc/58/10/61/511581061.db2.gz PHPUKRVMQYNQNZ-QWFCFKBJSA-N 0 0 361.486 2.621 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NCC2CCC2)cc1 ZINC000284043553 511586485 /nfs/dbraw/zinc/58/64/85/511586485.db2.gz KXHBPSKMISAOIZ-UHFFFAOYSA-N 0 0 369.465 2.791 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)CCC2CCOCC2)cc1 ZINC000292536327 511634129 /nfs/dbraw/zinc/63/41/29/511634129.db2.gz WEFDKHFVAQMYFZ-UHFFFAOYSA-N 0 0 354.516 2.769 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccncc2)cc1 ZINC000284266711 511662236 /nfs/dbraw/zinc/66/22/36/511662236.db2.gz SDTMEJGRNAFFIJ-MRXNPFEDSA-N 0 0 368.481 2.764 20 10 FFCDRN COc1nccnc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000296230324 511664550 /nfs/dbraw/zinc/66/45/50/511664550.db2.gz CERCNVLFGAKWNX-ZIAGYGMSSA-N 0 0 360.433 2.528 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CCc1c(C)nc2ncnn2c1C ZINC000299631969 511666101 /nfs/dbraw/zinc/66/61/01/511666101.db2.gz KRROXCLNVCNRQD-UHFFFAOYSA-N 0 0 367.453 2.818 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)COCC(F)(F)F)cc1 ZINC000299692190 511667118 /nfs/dbraw/zinc/66/71/18/511667118.db2.gz WJEHDUMHEJCNNC-INIZCTEOSA-N 0 0 374.403 2.839 20 10 FFCDRN COc1cccc2c1OCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000365829618 511674490 /nfs/dbraw/zinc/67/44/90/511674490.db2.gz XYKQJWMQCIZKMO-CYBMUJFWSA-N 0 0 360.366 2.931 20 10 FFCDRN COCc1cc(NCc2cc(OC)c(OC)cc2O)cc(C(=O)OC)c1 ZINC000292699723 511690157 /nfs/dbraw/zinc/69/01/57/511690157.db2.gz CFZPOKAGCQRYHO-UHFFFAOYSA-N 0 0 361.394 2.955 20 10 FFCDRN Cc1ccn(-c2ccc(N[C@H](C)c3ccc(N4CCOCC4)cc3)nn2)n1 ZINC000301336375 511695016 /nfs/dbraw/zinc/69/50/16/511695016.db2.gz ODIDLLVUQHGCNP-MRXNPFEDSA-N 0 0 364.453 2.980 20 10 FFCDRN Cc1ccc(OCCN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1 ZINC000301631505 511698659 /nfs/dbraw/zinc/69/86/59/511698659.db2.gz BSCYDBGPQQBUHK-UHFFFAOYSA-N 0 0 357.366 2.749 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@@H](c4ccsc4)C3)cc2N1 ZINC000301659251 511698872 /nfs/dbraw/zinc/69/88/72/511698872.db2.gz JFJRKZRMQKDCKU-OAHLLOKOSA-N 0 0 361.379 2.565 20 10 FFCDRN COc1ccc(N2CCN(c3nc(OC)ncc3Cl)CC2)cc1F ZINC000301718495 511701330 /nfs/dbraw/zinc/70/13/30/511701330.db2.gz LKYXIWDQQVVGEF-UHFFFAOYSA-N 0 0 352.797 2.613 20 10 FFCDRN O=C1NC[C@H](CSc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)O1 ZINC000296353484 511711908 /nfs/dbraw/zinc/71/19/08/511711908.db2.gz RGZWEFSVOKKJQH-LSDHHAIUSA-N 0 0 359.451 2.930 20 10 FFCDRN COc1ccc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)cc1F ZINC000292771135 511713601 /nfs/dbraw/zinc/71/36/01/511713601.db2.gz OYZLJKDXCHWMFG-UHFFFAOYSA-N 0 0 368.416 2.636 20 10 FFCDRN CNC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000292803460 511725761 /nfs/dbraw/zinc/72/57/61/511725761.db2.gz XQLWRNDNGPCFBG-STQMWFEESA-N 0 0 366.893 2.510 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Nc3cncnc3)cc2F)C[C@@H](C)O1 ZINC000274345451 511803279 /nfs/dbraw/zinc/80/32/79/511803279.db2.gz LXEDFCJAGDJDOK-CHWSQXEVSA-N 0 0 359.405 2.551 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CCN(CC(F)(F)F)C1 ZINC000281413792 511838231 /nfs/dbraw/zinc/83/82/31/511838231.db2.gz CRFPOWJYGGRBQC-ZDUSSCGKSA-N 0 0 356.388 2.771 20 10 FFCDRN CN(c1ccc(CNC(=O)CCn2cnccc2=O)cc1)C1CCCCC1 ZINC000293389096 511946046 /nfs/dbraw/zinc/94/60/46/511946046.db2.gz QFIDCEVRMWDGIT-UHFFFAOYSA-N 0 0 368.481 2.719 20 10 FFCDRN Cc1nnc([C@H]2CCCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)[nH]1 ZINC000274837635 511958329 /nfs/dbraw/zinc/95/83/29/511958329.db2.gz AIAUDXNTTKAUDF-KRWDZBQOSA-N 0 0 368.485 2.585 20 10 FFCDRN COc1ccc(C(=O)CCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000274914908 511986413 /nfs/dbraw/zinc/98/64/13/511986413.db2.gz JUNNJHZEABMYLO-ZDUSSCGKSA-N 0 0 357.406 2.817 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3cc[nH]c3C(C)C)CC2)cc1 ZINC000285108488 512001974 /nfs/dbraw/zinc/00/19/74/512001974.db2.gz LSGMISXNOPKPNV-UHFFFAOYSA-N 0 0 370.497 2.699 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCC1([S@](C)=O)CC1 ZINC000281895697 512003147 /nfs/dbraw/zinc/00/31/47/512003147.db2.gz HKOCAGJJYZHKMG-VWLOTQADSA-N 0 0 363.527 2.729 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)CC[C@H]3CCOC3)cc2)CC1 ZINC000293649309 512039829 /nfs/dbraw/zinc/03/98/29/512039829.db2.gz XYOHTZZNNOZQSI-GOSISDBHSA-N 0 0 366.527 2.769 20 10 FFCDRN CCOC(=O)Cc1cnc(NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000297165083 512044433 /nfs/dbraw/zinc/04/44/33/512044433.db2.gz LYSXXFCPZJQZFW-UHFFFAOYSA-N 0 0 362.455 2.636 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)c(O)c1 ZINC000375690356 512457535 /nfs/dbraw/zinc/45/75/35/512457535.db2.gz KBRWJJIDXRPHCV-KRWDZBQOSA-N 0 0 369.421 2.698 20 10 FFCDRN O=C(C[C@H]1CCOC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000369575599 512488775 /nfs/dbraw/zinc/48/87/75/512488775.db2.gz ZNVJMWHQOZQTNT-CYBMUJFWSA-N 0 0 354.397 2.800 20 10 FFCDRN CC[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@]2(CCOC2)O1 ZINC000373831697 512526732 /nfs/dbraw/zinc/52/67/32/512526732.db2.gz KIBRGGLWJTVSNO-PZJWPPBQSA-N 0 0 371.481 2.542 20 10 FFCDRN CC[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@]2(CCOC2)O1 ZINC000373831696 512526985 /nfs/dbraw/zinc/52/69/85/512526985.db2.gz KIBRGGLWJTVSNO-FPOVZHCZSA-N 0 0 371.481 2.542 20 10 FFCDRN Oc1cc(OCc2ccccc2)ccc1CN1CCOC[C@H]1c1ncon1 ZINC000371804764 512581581 /nfs/dbraw/zinc/58/15/81/512581581.db2.gz ZSMIHOSAMKEZFV-SFHVURJKSA-N 0 0 367.405 2.928 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000376230497 512723268 /nfs/dbraw/zinc/72/32/68/512723268.db2.gz PFDMLFQDANOTMA-QZTJIDSGSA-N 0 0 355.438 2.509 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000376286980 512750777 /nfs/dbraw/zinc/75/07/77/512750777.db2.gz BXXAQZFCDAYDOW-MOPGFXCFSA-N 0 0 361.486 2.622 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCN(c3ccccc3F)C2)c1 ZINC000368304452 512892554 /nfs/dbraw/zinc/89/25/54/512892554.db2.gz NICAMZXTJKXEKK-AWEZNQCLSA-N 0 0 359.401 2.618 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCc2nnc(C3CC3)n2C1 ZINC000368393245 512928132 /nfs/dbraw/zinc/92/81/32/512928132.db2.gz NKAVFUHONFFXQP-KRWDZBQOSA-N 0 0 367.497 2.833 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2cccnc2-c2cnn(C)c2)c1 ZINC000377038452 513096572 /nfs/dbraw/zinc/09/65/72/513096572.db2.gz WYHQNMSLNDSGKV-UHFFFAOYSA-N 0 0 353.382 2.518 20 10 FFCDRN Cc1ccccc1-n1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1 ZINC000413527576 513699795 /nfs/dbraw/zinc/69/97/95/513699795.db2.gz BJSQBYQRVGHONN-UHFFFAOYSA-N 0 0 363.421 2.681 20 10 FFCDRN CC(=O)Nc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437016966 514075161 /nfs/dbraw/zinc/07/51/61/514075161.db2.gz IDQJLUPWWVGTGV-UHFFFAOYSA-N 0 0 353.422 2.679 20 10 FFCDRN Cc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc(C(N)=O)c1 ZINC000455836146 514771428 /nfs/dbraw/zinc/77/14/28/514771428.db2.gz MNNDTPOFBZWSAY-UHFFFAOYSA-N 0 0 354.410 2.591 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3ccnn3C)ccc21 ZINC000471568417 514933733 /nfs/dbraw/zinc/93/37/33/514933733.db2.gz ZKBFATIPLFDMNH-UHFFFAOYSA-N 0 0 354.454 2.910 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000471898609 515046883 /nfs/dbraw/zinc/04/68/83/515046883.db2.gz WMYRKBZAYBQYOA-HNNXBMFYSA-N 0 0 356.470 2.687 20 10 FFCDRN CC[C@H](NC(=O)NCc1c(C)c2ccccc2n1C)[C@H](O)C(F)(F)F ZINC000472236428 515181278 /nfs/dbraw/zinc/18/12/78/515181278.db2.gz DTNHOFLKHPVHTP-WFASDCNBSA-N 0 0 357.376 2.988 20 10 FFCDRN CC(=O)Nc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000528882673 516769652 /nfs/dbraw/zinc/76/96/52/516769652.db2.gz MQRRKUNYKURZEA-QGZVFWFLSA-N 0 0 369.421 2.567 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1n[nH]c(=O)c2ccccc12 ZINC000548428957 516979435 /nfs/dbraw/zinc/97/94/35/516979435.db2.gz IHZTYXRCLGVCTB-UHFFFAOYSA-N 0 0 360.417 2.994 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)c1nnc2n1CCCC2 ZINC000525917717 517232783 /nfs/dbraw/zinc/23/27/83/517232783.db2.gz AJAWOSSNZVHPNL-CQSZACIVSA-N 0 0 366.469 2.975 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnn(-c2ccccn2)c1 ZINC000542024216 517343171 /nfs/dbraw/zinc/34/31/71/517343171.db2.gz YCPBQIKTLHVGKN-UHFFFAOYSA-N 0 0 364.409 2.764 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC[C@@H]1CCCOC1 ZINC000530197719 517620346 /nfs/dbraw/zinc/62/03/46/517620346.db2.gz SZXVLJCQAQAOLR-LBPRGKRZSA-N 0 0 352.818 2.627 20 10 FFCDRN Cc1cc(C)c(C(=O)NC2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)o1 ZINC000527585284 517773169 /nfs/dbraw/zinc/77/31/69/517773169.db2.gz ZEIPDMJOFAOYMF-UHFFFAOYSA-N 0 0 372.421 2.651 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCCOC1CCCC1 ZINC000557249009 517934729 /nfs/dbraw/zinc/93/47/29/517934729.db2.gz BVHVAJITOOKXJA-UHFFFAOYSA-N 0 0 371.481 2.568 20 10 FFCDRN CCOCCOC1CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)C1 ZINC000539704129 518144269 /nfs/dbraw/zinc/14/42/69/518144269.db2.gz KOVDOKGCWVCJRH-UHFFFAOYSA-N 0 0 374.481 2.782 20 10 FFCDRN COCC[C@@H](COC)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000573258736 518580082 /nfs/dbraw/zinc/58/00/82/518580082.db2.gz QGRJGELRHVEBQV-KRWDZBQOSA-N 0 0 362.470 2.686 20 10 FFCDRN Cc1ccsc1CNC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000583514117 519287804 /nfs/dbraw/zinc/28/78/04/519287804.db2.gz KESKTMSFSRKFAQ-UHFFFAOYSA-N 0 0 355.463 2.789 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)Cc2nnc(C)o2)CCCC1 ZINC000618070570 520866275 /nfs/dbraw/zinc/86/62/75/520866275.db2.gz NWQDDTLXJMTDIZ-UHFFFAOYSA-N 0 0 368.437 2.879 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H](Oc1ccccc1)C(C)(C)O ZINC000611649542 521264545 /nfs/dbraw/zinc/26/45/45/521264545.db2.gz JPGIJUJKMFGNLQ-LJQANCHMSA-N 0 0 370.449 2.697 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](n1cccn1)C(F)(F)F ZINC000611657005 521267966 /nfs/dbraw/zinc/26/79/66/521267966.db2.gz HXOZSEMNXFGDPN-HNNXBMFYSA-N 0 0 368.359 2.868 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c(C(F)(F)F)cnn1C ZINC000611658701 521268828 /nfs/dbraw/zinc/26/88/28/521268828.db2.gz YKKQPGXKLCUUMH-UHFFFAOYSA-N 0 0 354.332 2.544 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(C)COc2ccccc2O1 ZINC000625915919 521782761 /nfs/dbraw/zinc/78/27/61/521782761.db2.gz DRKUHUXHEIGMMM-HXUWFJFHSA-N 0 0 354.406 2.708 20 10 FFCDRN Clc1ccc(NCc2ccc(N3CC=CC3)cc2)nc1-c1nn[nH]n1 ZINC000737573429 598973252 /nfs/dbraw/zinc/97/32/52/598973252.db2.gz HLRNRIANSJWNCE-UHFFFAOYSA-N 0 0 353.817 2.903 20 10 FFCDRN O=[N+]([O-])c1cc(-c2nn[nH]n2)ccc1NCc1ccc(N2CC=CC2)cc1 ZINC000738357661 598973675 /nfs/dbraw/zinc/97/36/75/598973675.db2.gz HUWIKBKDKQOALC-UHFFFAOYSA-N 0 0 363.381 2.763 20 10 FFCDRN COc1ccc2c(c1)CCCN2Cc1ccc(-c2nn[nH]n2)cc1OC ZINC000826213041 608355589 /nfs/dbraw/zinc/35/55/89/608355589.db2.gz JLOWXYVVSSICMX-UHFFFAOYSA-N 0 0 351.410 2.837 20 10 FFCDRN C[C@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000820136113 598164498 /nfs/dbraw/zinc/16/44/98/598164498.db2.gz GRDVYKYNCIJZJL-HLIUYOAVSA-N 0 0 350.434 2.956 20 10 FFCDRN Cc1cc(C(=O)OCc2ccno2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737240417 598621441 /nfs/dbraw/zinc/62/14/41/598621441.db2.gz FXOVNVNQQROYRY-UHFFFAOYSA-N 0 0 364.365 2.619 20 10 FFCDRN CCCC(=O)COC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000736410934 599605612 /nfs/dbraw/zinc/60/56/12/599605612.db2.gz MMIVARAHOMQATA-UHFFFAOYSA-N 0 0 367.409 2.800 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830830538 601616316 /nfs/dbraw/zinc/61/63/16/601616316.db2.gz GVCGYPNJIBLQAW-UHFFFAOYSA-N 0 0 358.413 2.993 20 10 FFCDRN COc1ccc(-c2nn[nH]n2)cc1CN(C)c1ccc(OC)c(OC)c1 ZINC000826181665 607519575 /nfs/dbraw/zinc/51/95/75/607519575.db2.gz JTPPJYONFGQTLR-UHFFFAOYSA-N 0 0 355.398 2.529 20 10 FFCDRN O=C([O-])N(CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000740490755 602057144 /nfs/dbraw/zinc/05/71/44/602057144.db2.gz ZHYZSYRQXLRXFM-UHFFFAOYSA-N 0 0 362.430 2.817 20 10 FFCDRN C[C@@H]([NH2+]CC[C@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1 ZINC000825490689 604299434 /nfs/dbraw/zinc/29/94/34/604299434.db2.gz ODGIARIJXJZGRH-IAGOWNOFSA-N 0 0 361.486 2.954 20 10 FFCDRN COc1ccc(N(C)Cc2cn3ccccc3c2-c2nn[nH]n2)c(OC)c1 ZINC000826208948 607753811 /nfs/dbraw/zinc/75/38/11/607753811.db2.gz GXCURCYIQKTBPQ-UHFFFAOYSA-N 0 0 364.409 2.773 20 10 FFCDRN CN(CCCOc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCO2 ZINC000825923591 607927217 /nfs/dbraw/zinc/92/72/17/607927217.db2.gz NPMFPYGJRUEDIS-UHFFFAOYSA-N 0 0 353.382 2.501 20 10 FFCDRN CCCn1c2ccc(-c3nn[nH]n3)cc2nc1-c1cc(O)c(O)c(OC)c1 ZINC000825352608 607974947 /nfs/dbraw/zinc/97/49/47/607974947.db2.gz NZFUZDLAVNSREG-UHFFFAOYSA-N 0 0 366.381 2.713 20 10 FFCDRN CN(Cc1ccccc1O)c1nc(C(F)(F)F)ccc1-c1nn[nH]n1 ZINC000825981109 608015899 /nfs/dbraw/zinc/01/58/99/608015899.db2.gz OZVCLALKQSDNJB-UHFFFAOYSA-N 0 0 350.304 2.623 20 10 FFCDRN O=C(Cn1cnc(-c2ccccc2)n1)NCCCSc1nccs1 ZINC000153122277 728772590 /nfs/dbraw/zinc/77/25/90/728772590.db2.gz BJVOQNOAKUBOPT-UHFFFAOYSA-N 0 0 359.480 2.700 20 10 FFCDRN Cc1cc(S(=O)(=O)N(C)Cc2ccccc2O)cc([N+](=O)[O-])c1F ZINC000154278165 728800820 /nfs/dbraw/zinc/80/08/20/728800820.db2.gz BBOZJJBOAUZXMN-UHFFFAOYSA-N 0 0 354.359 2.569 20 10 FFCDRN Cc1ccc([C@H](O)CNC(=O)NCCCSc2nccs2)cc1 ZINC000154606928 728807950 /nfs/dbraw/zinc/80/79/50/728807950.db2.gz NWHGMRKEEOHBOM-CQSZACIVSA-N 0 0 351.497 2.967 20 10 FFCDRN CSC[C@H](CCO)NC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000154870946 728814114 /nfs/dbraw/zinc/81/41/14/728814114.db2.gz PLLNDELVHYUFLV-KRWDZBQOSA-N 0 0 365.543 2.836 20 10 FFCDRN CCCN(CC(F)F)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000155101102 728820585 /nfs/dbraw/zinc/82/05/85/728820585.db2.gz NGTCCUFVYNPUKG-UHFFFAOYSA-N 0 0 359.392 2.849 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCc3c2cccc3Cl)c1 ZINC000155658952 728833922 /nfs/dbraw/zinc/83/39/22/728833922.db2.gz GDOGXSCIKKCURY-UHFFFAOYSA-N 0 0 366.826 2.620 20 10 FFCDRN O=C(CCCc1nc(-c2cccs2)no1)NCc1ccc(O)c(O)c1 ZINC000158943351 728897396 /nfs/dbraw/zinc/89/73/96/728897396.db2.gz OXXDXUDBDCJDLX-UHFFFAOYSA-N 0 0 359.407 2.848 20 10 FFCDRN Cc1cc(C)c(S(=O)(=O)NCCC(=O)Nc2ccc(N)cc2)c(C)c1 ZINC000160362379 728920858 /nfs/dbraw/zinc/92/08/58/728920858.db2.gz UZDNKWBZSGIGNN-UHFFFAOYSA-N 0 0 361.467 2.501 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000161180820 728929495 /nfs/dbraw/zinc/92/94/95/728929495.db2.gz KKBRSBLJMNDVJW-MRVPVSSYSA-N 0 0 361.341 2.858 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000161164093 728929632 /nfs/dbraw/zinc/92/96/32/728929632.db2.gz ZLEFJNYUSDYEOU-JTQLQIEISA-N 0 0 356.831 2.797 20 10 FFCDRN C[C@@H](NC(=O)C[C@H]1CSCCS1)c1ccc(N2CCOCC2)cc1 ZINC000161454377 728932311 /nfs/dbraw/zinc/93/23/11/728932311.db2.gz RWHUXNHCQBUQPB-PBHICJAKSA-N 0 0 366.552 2.939 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSc3ccccc3O)CC2)cc1 ZINC000161741590 728935423 /nfs/dbraw/zinc/93/54/23/728935423.db2.gz WYNBCNKDKFPUPF-UHFFFAOYSA-N 0 0 358.463 2.842 20 10 FFCDRN Cc1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)c(OC(F)F)cc1C ZINC000743281975 735287494 /nfs/dbraw/zinc/28/74/94/735287494.db2.gz IANJEQNBIIICKL-VZUCSPMQSA-N 0 0 372.418 2.591 20 10 FFCDRN COc1cc(C(=O)NCc2ccccc2O)cc(OC)c1OC(F)F ZINC000743326434 735289549 /nfs/dbraw/zinc/28/95/49/735289549.db2.gz DWCHNRACYJVDIJ-UHFFFAOYSA-N 0 0 353.321 2.941 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)COc1cc(C)on1 ZINC000743808319 735320672 /nfs/dbraw/zinc/32/06/72/735320672.db2.gz UOWXFTFYXLMTLU-UHFFFAOYSA-N 0 0 369.215 2.879 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)COC[C@H]1CCCO1 ZINC000743809160 735320784 /nfs/dbraw/zinc/32/07/84/735320784.db2.gz OFBCTFXNQCXJPA-CQSZACIVSA-N 0 0 372.259 2.699 20 10 FFCDRN O=S(=O)(Nc1cccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])c1)C1CC1 ZINC000898288106 735337194 /nfs/dbraw/zinc/33/71/94/735337194.db2.gz FDDXDZWCKVCQDG-UHFFFAOYSA-N 0 0 368.405 2.864 20 10 FFCDRN C[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000898435790 735360848 /nfs/dbraw/zinc/36/08/48/735360848.db2.gz GGUUFUWUVYGSDZ-UTUOFQBUSA-N 0 0 364.467 2.540 20 10 FFCDRN Cc1cc(C)c2c(N)c(C(=O)OCCOC[C@H]3CCCO3)sc2n1 ZINC000744575852 735364962 /nfs/dbraw/zinc/36/49/62/735364962.db2.gz DRGWZUCBRWJGPG-GFCCVEGCSA-N 0 0 350.440 2.848 20 10 FFCDRN O=C(NC[C@]12OCCC[C@H]1C2(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000898782451 735408034 /nfs/dbraw/zinc/40/80/34/735408034.db2.gz ISFPQNRLSDBAQL-HIFRSBDPSA-N 0 0 355.362 2.857 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cccnc2Cl)cc1 ZINC000007891108 727799647 /nfs/dbraw/zinc/79/96/47/727799647.db2.gz WSDWDNNVNXKWJO-UHFFFAOYSA-N 0 0 361.829 2.616 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CSc2nc(C(C)(C)C)n[nH]2)cc1 ZINC000031800580 727918004 /nfs/dbraw/zinc/91/80/04/727918004.db2.gz MNEPNUNWTIISOF-UHFFFAOYSA-N 0 0 361.515 2.919 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1cccc(Br)c1 ZINC000040692050 727936197 /nfs/dbraw/zinc/93/61/97/727936197.db2.gz BXYXYMABWRDXCL-UHFFFAOYSA-N 0 0 356.241 2.975 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccnc1Cl ZINC000091240841 728458588 /nfs/dbraw/zinc/45/85/88/728458588.db2.gz DCVVAOOFGZHVSR-UHFFFAOYSA-N 0 0 359.813 2.574 20 10 FFCDRN Oc1ccc(Cl)cc1CN1CCN(Cc2nccn2C(F)F)CC1 ZINC000092614471 728469409 /nfs/dbraw/zinc/46/94/09/728469409.db2.gz ZGLFLFOQNDPEQX-UHFFFAOYSA-N 0 0 356.804 2.955 20 10 FFCDRN CCCNC(=O)CCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000104146706 728500718 /nfs/dbraw/zinc/50/07/18/728500718.db2.gz TZRWHGVWNBUSSX-UHFFFAOYSA-N 0 0 363.527 2.553 20 10 FFCDRN COc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1OC(F)F ZINC000747148351 735538536 /nfs/dbraw/zinc/53/85/36/735538536.db2.gz WDHVUDQEZHPJDY-LCYFTJDESA-N 0 0 370.377 2.599 20 10 FFCDRN CCS(=O)(=O)C[C@H](C)NC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000113234165 728553052 /nfs/dbraw/zinc/55/30/52/728553052.db2.gz SMMSQMUXYAFRLQ-AWEZNQCLSA-N 0 0 362.495 2.956 20 10 FFCDRN CCC(CC)CS(=O)(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000113283369 728553781 /nfs/dbraw/zinc/55/37/81/728553781.db2.gz SXNTVGVSVVYCMG-OAHLLOKOSA-N 0 0 354.516 2.940 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000114375720 728559987 /nfs/dbraw/zinc/55/99/87/728559987.db2.gz JSOHIVKCVDYTOB-LBPRGKRZSA-N 0 0 353.513 2.533 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2[nH]nc(C(C)C)c2Br)c1 ZINC000114542858 728561251 /nfs/dbraw/zinc/56/12/51/728561251.db2.gz UAQHNACKBDBZRZ-UHFFFAOYSA-N 0 0 368.231 2.940 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c1 ZINC000114612046 728561625 /nfs/dbraw/zinc/56/16/25/728561625.db2.gz IZDKPHYTBVMXLZ-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCCOc2ccc(F)c(F)c2)c1 ZINC000114596773 728561748 /nfs/dbraw/zinc/56/17/48/728561748.db2.gz CAHXVTPMGWMDHC-UHFFFAOYSA-N 0 0 352.337 2.557 20 10 FFCDRN COc1cc(N(C)CC(=O)N[C@H]2CCCC[C@H]2C)cc(OC)c1OC ZINC000125717655 728686583 /nfs/dbraw/zinc/68/65/83/728686583.db2.gz UPANAOKAWGMAKV-HIFRSBDPSA-N 0 0 350.459 2.844 20 10 FFCDRN CS(=O)(=O)N1CCC[C@@H](CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000131168498 728721671 /nfs/dbraw/zinc/72/16/71/728721671.db2.gz IZWMSJTVBYXTFF-ZDUSSCGKSA-N 0 0 374.453 2.712 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000131694312 728722862 /nfs/dbraw/zinc/72/28/62/728722862.db2.gz AEKHYURDQMLTBE-UHFFFAOYSA-N 0 0 352.431 2.721 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccccc1OCC(F)(F)F ZINC000132555375 728724780 /nfs/dbraw/zinc/72/47/80/728724780.db2.gz DHOCZOWJTWLWHX-LCYFTJDESA-N 0 0 372.368 2.930 20 10 FFCDRN CNC(=O)c1cccc(CCC(=O)NCCCSc2nccs2)c1 ZINC000132756437 728725289 /nfs/dbraw/zinc/72/52/89/728725289.db2.gz QLZHHOCEMHKJOS-UHFFFAOYSA-N 0 0 363.508 2.734 20 10 FFCDRN C[C@@H](O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000134899157 728733874 /nfs/dbraw/zinc/73/38/74/728733874.db2.gz ZKUVPLMNDHRVRR-RNFRBKRXSA-N 0 0 353.054 2.949 20 10 FFCDRN C[C@@H](O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000134899117 728733888 /nfs/dbraw/zinc/73/38/88/728733888.db2.gz ZKUVPLMNDHRVRR-RQJHMYQMSA-N 0 0 353.054 2.949 20 10 FFCDRN C[C@H]([NH2+]CCCO)c1cc(Br)cc(Br)c1[O-] ZINC000134903824 728733985 /nfs/dbraw/zinc/73/39/85/728733985.db2.gz DETDULHWEBRNDK-ZETCQYMHSA-N 0 0 353.054 2.950 20 10 FFCDRN CC(C)[C@H](C)CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000172477593 729026530 /nfs/dbraw/zinc/02/65/30/729026530.db2.gz WGFJEMWMNRHIQG-CQSZACIVSA-N 0 0 351.466 2.878 20 10 FFCDRN Cn1ccc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)cc21 ZINC000175634713 729099215 /nfs/dbraw/zinc/09/92/15/729099215.db2.gz AJRJHOFLYYIQQY-UHFFFAOYSA-N 0 0 359.407 2.508 20 10 FFCDRN CCN(CC)c1ccc(CNc2cccc(S(N)(=O)=O)c2)cc1F ZINC000182114825 729269158 /nfs/dbraw/zinc/26/91/58/729269158.db2.gz HQXMUSNJOASJTF-UHFFFAOYSA-N 0 0 351.447 2.931 20 10 FFCDRN COc1ccc(N(CC(=O)NCC(=O)OC(C)(C)C)C(C)C)cc1F ZINC000182143535 729270155 /nfs/dbraw/zinc/27/01/55/729270155.db2.gz ZNRGWYVYEWNECY-UHFFFAOYSA-N 0 0 354.422 2.507 20 10 FFCDRN Cc1cc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])c(C)s1 ZINC000186141486 729361186 /nfs/dbraw/zinc/36/11/86/729361186.db2.gz NDAZZXMGODSZCO-NSHDSACASA-N 0 0 372.487 2.839 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H](C)c1nnnn1C1CC1 ZINC000190339988 729407407 /nfs/dbraw/zinc/40/74/07/729407407.db2.gz PHWNJUAPWHLFHO-GFCCVEGCSA-N 0 0 356.455 2.968 20 10 FFCDRN COC(=O)CNC(=O)c1ccc(NCc2c(O)ccc(Cl)c2F)cc1 ZINC000195072793 729528403 /nfs/dbraw/zinc/52/84/03/729528403.db2.gz QQNIQDIEFVFPFZ-UHFFFAOYSA-N 0 0 366.776 2.700 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC1CCSCC1 ZINC000195472556 729539437 /nfs/dbraw/zinc/53/94/37/729539437.db2.gz QPGSUZPPLNBXGS-UHFFFAOYSA-N 0 0 363.527 2.590 20 10 FFCDRN COc1cc(Br)c(/C=C2/SC(=S)N(C)C2=O)cc1O ZINC000208267779 729543289 /nfs/dbraw/zinc/54/32/89/729543289.db2.gz GOEJQESIGFPHDN-ONNFQVAWSA-N 0 0 360.254 2.994 20 10 FFCDRN Nc1ccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000238017924 729565961 /nfs/dbraw/zinc/56/59/61/729565961.db2.gz XCTSHPLKNUGENI-UHFFFAOYSA-N 0 0 365.480 2.757 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCCO1 ZINC000246152618 729581508 /nfs/dbraw/zinc/58/15/08/729581508.db2.gz FEDQDQIWUJKTSI-XJKSGUPXSA-N 0 0 354.397 2.942 20 10 FFCDRN O=C1N[C@@H](Cc2ccc(F)cc2)C(=O)N1CCCSc1nccs1 ZINC000924641955 738435853 /nfs/dbraw/zinc/43/58/53/738435853.db2.gz WUVGVXOVTQMQLI-ZDUSSCGKSA-N 0 0 365.455 2.928 20 10 FFCDRN O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000857057813 730376502 /nfs/dbraw/zinc/37/65/02/730376502.db2.gz DZJLVVCVKRZKRE-OAHLLOKOSA-N 0 0 355.818 2.944 20 10 FFCDRN O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1c(F)ccc(O)c1O ZINC000857306423 730390472 /nfs/dbraw/zinc/39/04/72/730390472.db2.gz FGVXTLWUQYFFJK-LLVKDONJSA-N 0 0 351.296 2.857 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c(C)nc4sccn43)CC2)cc1 ZINC000858128283 730417343 /nfs/dbraw/zinc/41/73/43/730417343.db2.gz HORLRCXXCGLJFI-UHFFFAOYSA-N 0 0 356.451 2.675 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(C)c(O)c1 ZINC000779546005 738469853 /nfs/dbraw/zinc/46/98/53/738469853.db2.gz WHDWWLMEVBNGAA-UHFFFAOYSA-N 0 0 363.797 2.875 20 10 FFCDRN CC(C)n1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1Cl ZINC000858725078 730432147 /nfs/dbraw/zinc/43/21/47/730432147.db2.gz XLIZTJZYDDNUFM-UHFFFAOYSA-N 0 0 362.861 2.884 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000858883932 730435796 /nfs/dbraw/zinc/43/57/96/730435796.db2.gz ZDRMJVIPXSUNOY-GOSISDBHSA-N 0 0 366.458 2.699 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cncc(OC(C)C)c2)c1 ZINC000859006367 730439268 /nfs/dbraw/zinc/43/92/68/730439268.db2.gz GQGPCYJFZPPYPQ-LBPRGKRZSA-N 0 0 366.439 2.623 20 10 FFCDRN O=C(COCC(F)F)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000859675168 730462592 /nfs/dbraw/zinc/46/25/92/730462592.db2.gz DUKMYNYOZBHJOQ-LLVKDONJSA-N 0 0 364.339 2.655 20 10 FFCDRN C[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F ZINC000859733842 730464410 /nfs/dbraw/zinc/46/44/10/730464410.db2.gz BFLCUFBYJJCTPA-NSHDSACASA-N 0 0 362.367 2.992 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCCC(=O)NC ZINC000779648786 738474076 /nfs/dbraw/zinc/47/40/76/738474076.db2.gz ORBONSGNFUNKFG-UHFFFAOYSA-N 0 0 371.275 2.810 20 10 FFCDRN Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000860950470 730561288 /nfs/dbraw/zinc/56/12/88/730561288.db2.gz NADWSADTPVTVPY-NSHDSACASA-N 0 0 350.440 2.549 20 10 FFCDRN C[C@H](NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)c1ccc(N(C)C)cc1 ZINC000860950666 730561296 /nfs/dbraw/zinc/56/12/96/730561296.db2.gz QBAHCXGOOXWZEY-FUWURINLSA-N 0 0 362.451 2.640 20 10 FFCDRN COC(=O)CCN(Cc1cc(F)c(N(C)C)cc1F)C[C@@H]1CCCO1 ZINC000862247272 730681374 /nfs/dbraw/zinc/68/13/74/730681374.db2.gz YMCFVRZPBUBYDF-AWEZNQCLSA-N 0 0 356.413 2.575 20 10 FFCDRN C[C@H]1CN(Cc2c(O)cccc2Br)CC2(CCOCC2)O1 ZINC000862351862 730690772 /nfs/dbraw/zinc/69/07/72/730690772.db2.gz UCCLTTUMQIZEAZ-LBPRGKRZSA-N 0 0 356.260 2.925 20 10 FFCDRN O=C(NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)C1=CC(=O)CS1 ZINC000862788472 730725853 /nfs/dbraw/zinc/72/58/53/730725853.db2.gz DDMOOXZRQUQPNZ-CQSZACIVSA-N 0 0 352.843 2.742 20 10 FFCDRN COC(=O)COCCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000862952472 730737204 /nfs/dbraw/zinc/73/72/04/730737204.db2.gz AQCWXIQWWKRDLK-UHFFFAOYSA-N 0 0 364.829 2.667 20 10 FFCDRN Cc1ccn(C[C@H](C)C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000864918908 730891709 /nfs/dbraw/zinc/89/17/09/730891709.db2.gz NRDILPCKLDRBDK-HNNXBMFYSA-N 0 0 358.511 2.697 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(OC(F)F)cc1F ZINC000865216170 730924705 /nfs/dbraw/zinc/92/47/05/730924705.db2.gz FGDFIBQCOYUVBW-KPKJPENVSA-N 0 0 358.341 2.730 20 10 FFCDRN O=C1/C(=C/c2cn(C[C@@H]3CCOC3)nn2)SC(=S)N1c1ccccc1 ZINC000865214579 730924719 /nfs/dbraw/zinc/92/47/19/730924719.db2.gz BZTLHWJOGUNJHD-IYVNWDGISA-N 0 0 372.475 2.720 20 10 FFCDRN Cc1cc(CNC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)no1 ZINC000865229939 730926411 /nfs/dbraw/zinc/92/64/11/730926411.db2.gz IDDVZLDVMMYQGB-CQSZACIVSA-N 0 0 360.483 2.545 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000779898781 738495198 /nfs/dbraw/zinc/49/51/98/738495198.db2.gz GALPJYOMBADHDP-JTQLQIEISA-N 0 0 357.378 2.860 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c[nH]c(=O)s2)cc1 ZINC000866452472 731061893 /nfs/dbraw/zinc/06/18/93/731061893.db2.gz HPLSJJIYGGUOQK-UHFFFAOYSA-N 0 0 355.485 2.516 20 10 FFCDRN CC(F)(F)CCS(=O)(=O)NCc1cccc(Br)c1O ZINC000867194638 731153237 /nfs/dbraw/zinc/15/32/37/731153237.db2.gz AXULIOYXSKZZAC-UHFFFAOYSA-N 0 0 358.204 2.619 20 10 FFCDRN COc1ccc(OCCCS(=O)(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000867834481 731232094 /nfs/dbraw/zinc/23/20/94/731232094.db2.gz JJJHSZBSSZVCPG-CQSZACIVSA-N 0 0 365.451 2.850 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCC(=O)O3)cc2Cl)C1 ZINC000868064927 731256044 /nfs/dbraw/zinc/25/60/44/731256044.db2.gz HGADAMVLHQQRNG-BLLLJJGKSA-N 0 0 350.846 2.898 20 10 FFCDRN O=C(Cc1cnn2c1CCCC2)NCc1cc(Br)ccc1O ZINC000868307281 731279927 /nfs/dbraw/zinc/27/99/27/731279927.db2.gz WFKVONWUYBCDIZ-UHFFFAOYSA-N 0 0 364.243 2.546 20 10 FFCDRN COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)nc3)C2=O)cn1 ZINC000780144318 738521966 /nfs/dbraw/zinc/52/19/66/738521966.db2.gz XOCDYJSNBTWYJW-GHXNOFRVSA-N 0 0 359.432 2.900 20 10 FFCDRN CC(C)(C)OC(=O)N[C@]1(C(=O)N2Cc3cccc(O)c3C2)CC1(F)F ZINC000871198370 731605373 /nfs/dbraw/zinc/60/53/73/731605373.db2.gz IOHHJKJTQBVTEO-INIZCTEOSA-N 0 0 354.353 2.537 20 10 FFCDRN CC(C)(C)OC(=O)NCC(F)(F)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871205467 731606028 /nfs/dbraw/zinc/60/60/28/731606028.db2.gz FFRWSFINROJPMM-UHFFFAOYSA-N 0 0 356.369 2.785 20 10 FFCDRN Cc1cc(NS(=O)(=O)C[C@]2(OC(C)C)CCOC2)c(C)c(C)c1O ZINC000872363810 731756352 /nfs/dbraw/zinc/75/63/52/731756352.db2.gz RSVYPJTZBKEUEK-KRWDZBQOSA-N 0 0 357.472 2.643 20 10 FFCDRN CC[N@H+](Cc1cc(C(=O)[O-])nn1C)Cc1cc(Br)ccc1O ZINC000874039422 731999990 /nfs/dbraw/zinc/99/99/90/731999990.db2.gz KABMQKNKEOSSIO-UHFFFAOYSA-N 0 0 368.231 2.609 20 10 FFCDRN C[C@H](NC(=O)C1(Br)CC1)c1ccc(N2CCOCC2)cc1 ZINC000874197149 732024358 /nfs/dbraw/zinc/02/43/58/732024358.db2.gz JSXGLQFRFIHXRC-LBPRGKRZSA-N 0 0 353.260 2.628 20 10 FFCDRN CC(=O)c1cc(F)c(NS(=O)(=O)c2cccc3nonc32)c(F)c1 ZINC000780733128 738572399 /nfs/dbraw/zinc/57/23/99/738572399.db2.gz ZSMWNUAKKPHBQQ-UHFFFAOYSA-N 0 0 353.306 2.504 20 10 FFCDRN COC(C)(C)CCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876080582 732214103 /nfs/dbraw/zinc/21/41/03/732214103.db2.gz FNVQQLSZNIAPBM-MRXNPFEDSA-N 0 0 350.459 2.898 20 10 FFCDRN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000876545101 732255506 /nfs/dbraw/zinc/25/55/06/732255506.db2.gz AFHZVOXNWCOMNU-SNVBAGLBSA-N 0 0 356.394 2.511 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C/c2c(Cl)ccc3cccnc32)SC1=S ZINC000781099521 738598687 /nfs/dbraw/zinc/59/86/87/738598687.db2.gz GOMRHQLNTYZPLU-WDZFZDKYSA-N 0 0 363.851 2.575 20 10 FFCDRN COC(=O)c1[nH]c(C[NH2+]Cc2cccc(Br)c2[O-])cc1C ZINC000877479408 732369978 /nfs/dbraw/zinc/36/99/78/732369978.db2.gz TVPIPKPJSKHJLJ-UHFFFAOYSA-N 0 0 353.216 2.868 20 10 FFCDRN O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000877700691 732416299 /nfs/dbraw/zinc/41/62/99/732416299.db2.gz FRGKNMRXZSPWQQ-HUUCEWRRSA-N 0 0 358.891 2.528 20 10 FFCDRN O=C(NCc1c(O)cccc1F)NC[C@@H]1CCC[C@@H](C(F)(F)F)O1 ZINC000926404580 738611262 /nfs/dbraw/zinc/61/12/62/738611262.db2.gz ZJJHYQIIFNNAAP-ZANVPECISA-N 0 0 350.312 2.831 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C1CCC(S(C)(=O)=O)CC1 ZINC000878598055 732562524 /nfs/dbraw/zinc/56/25/24/732562524.db2.gz VMWKTXFCXGPOIM-UHFFFAOYSA-N 0 0 353.484 2.734 20 10 FFCDRN COC(=O)[C@H]1CCCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000781526178 738634240 /nfs/dbraw/zinc/63/42/40/738634240.db2.gz CVVWDVMVRBSINM-GOSISDBHSA-N 0 0 350.434 2.580 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cn(C)nc2Br)c1 ZINC000880044256 732828356 /nfs/dbraw/zinc/82/83/56/732828356.db2.gz CHZSSQNGZAADSU-MRVPVSSYSA-N 0 0 369.219 2.780 20 10 FFCDRN COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(C)cc(Br)c1O ZINC000781922343 738673473 /nfs/dbraw/zinc/67/34/73/738673473.db2.gz XRDVAIPUPMHKCD-GXTWGEPZSA-N 0 0 372.259 2.616 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)CC[C@@H]2CC2(Cl)Cl)cc1 ZINC000881761191 733102355 /nfs/dbraw/zinc/10/23/55/733102355.db2.gz OFKVIEUIGKCYDG-GFCCVEGCSA-N 0 0 351.299 2.756 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1ccc2nnc(Br)n2n1 ZINC000881987570 733151495 /nfs/dbraw/zinc/15/14/95/733151495.db2.gz ARIYPAKVQNQVTQ-UHFFFAOYSA-N 0 0 361.247 2.873 20 10 FFCDRN c1nc(SCCn2cnnn2)n(C[C@H]2CCCO2)c1-c1ccccc1 ZINC000882089645 733169691 /nfs/dbraw/zinc/16/96/91/733169691.db2.gz SKUNWXIZFCBXOR-OAHLLOKOSA-N 0 0 356.455 2.508 20 10 FFCDRN C[C@@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000927136759 738695539 /nfs/dbraw/zinc/69/55/39/738695539.db2.gz SBLTUNHGZHJHGL-OQPBUACISA-N 0 0 374.666 2.926 20 10 FFCDRN CO[C@H](CS(=O)(=O)Nc1ccc(O)c(C(C)C)c1)C1CCOCC1 ZINC000882799838 733296871 /nfs/dbraw/zinc/29/68/71/733296871.db2.gz QJGGIOHEJCEXFD-QGZVFWFLSA-N 0 0 357.472 2.699 20 10 FFCDRN O=C(NCCC[NH2+]Cc1cc(Br)cc(F)c1[O-])C1CCC1 ZINC000883027901 733323664 /nfs/dbraw/zinc/32/36/64/733323664.db2.gz SILRAXPAWLEJLW-UHFFFAOYSA-N 0 0 359.239 2.690 20 10 FFCDRN COc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(F)cc(F)c1O ZINC000883116095 733336728 /nfs/dbraw/zinc/33/67/28/733336728.db2.gz NWNFLJHJRZTIRU-UHFFFAOYSA-N 0 0 372.393 2.541 20 10 FFCDRN Cn1cc(NCc2ccc(N3CCOCC3)cc2)c(Br)n1 ZINC000883163000 733344633 /nfs/dbraw/zinc/34/46/33/733344633.db2.gz KRWQSURUVXWNRP-UHFFFAOYSA-N 0 0 351.248 2.631 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCCc3ccns3)C2)cc1 ZINC000883697840 733424659 /nfs/dbraw/zinc/42/46/59/733424659.db2.gz QMDGHBZLKGLOEB-CQSZACIVSA-N 0 0 360.483 2.520 20 10 FFCDRN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1c([O-])cccc1F ZINC000886601341 733807935 /nfs/dbraw/zinc/80/79/35/733807935.db2.gz PQOFFCKWIORXJN-GFCCVEGCSA-N 0 0 358.479 2.775 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1c([O-])cccc1F ZINC000886646623 733812487 /nfs/dbraw/zinc/81/24/87/733812487.db2.gz OACBQXNSKSGKDY-LNSITVRQSA-N 0 0 354.422 2.552 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000890757749 734336328 /nfs/dbraw/zinc/33/63/28/734336328.db2.gz KJFXNFKWGJALPU-NSHDSACASA-N 0 0 350.768 2.936 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000890759419 734336866 /nfs/dbraw/zinc/33/68/66/734336866.db2.gz AZDLADXVAVCHQE-KRWDZBQOSA-N 0 0 360.841 2.563 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cnc2n1CCOC2 ZINC000890843883 734345259 /nfs/dbraw/zinc/34/52/59/734345259.db2.gz SYOWJNAOVQOHQI-UHFFFAOYSA-N 0 0 356.451 2.812 20 10 FFCDRN CC(C)(C)OC(=O)NC1(C[NH2+]Cc2cc(F)ccc2O)CCOCC1 ZINC000700312828 734354538 /nfs/dbraw/zinc/35/45/38/734354538.db2.gz IROMXCQPXUFHEP-UHFFFAOYSA-N 0 0 354.422 2.695 20 10 FFCDRN O=C(CCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-])NC1CC1 ZINC000708056938 734362622 /nfs/dbraw/zinc/36/26/22/734362622.db2.gz RLJFLVXRHXKQBA-UHFFFAOYSA-N 0 0 361.667 2.957 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S ZINC000727175442 734469859 /nfs/dbraw/zinc/46/98/59/734469859.db2.gz BJNQVSYBRDFKRA-NTUHNPAUSA-N 0 0 362.407 2.772 20 10 FFCDRN CCC(=O)N1CSC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000727989045 734511207 /nfs/dbraw/zinc/51/12/07/734511207.db2.gz PSSITPOWAALFNC-KRWDZBQOSA-N 0 0 363.527 2.801 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccccc2SC)c1 ZINC000729065358 734556559 /nfs/dbraw/zinc/55/65/59/734556559.db2.gz DKJLDGSKYKVERD-NSHDSACASA-N 0 0 360.435 2.939 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000729286396 734569313 /nfs/dbraw/zinc/56/93/13/734569313.db2.gz PBRMCKCNWZZGMH-JKSUJKDBSA-N 0 0 361.511 2.995 20 10 FFCDRN O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc(O)c(O)c1 ZINC000783725946 738829582 /nfs/dbraw/zinc/82/95/82/738829582.db2.gz MTIGSUNHCXTNRK-UHFFFAOYSA-N 0 0 351.698 2.699 20 10 FFCDRN CC[C@@H](CO)Nc1cc(NCc2cccc(Br)c2O)ncn1 ZINC000893514721 734712702 /nfs/dbraw/zinc/71/27/02/734712702.db2.gz DQGNGLGNJNPWBE-NSHDSACASA-N 0 0 367.247 2.740 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H](C2N=NC(=S)N2C2CC2)C1 ZINC000732305423 734731876 /nfs/dbraw/zinc/73/18/76/734731876.db2.gz MIWXGZCGLHHSOR-VIFPVBQESA-N 0 0 350.469 2.689 20 10 FFCDRN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)NCCCSc3nccs3)[C@@H]2C1 ZINC000893645778 734732001 /nfs/dbraw/zinc/73/20/01/734732001.db2.gz MQZNAOIHSQDRRZ-LPWJVIDDSA-N 0 0 369.512 2.512 20 10 FFCDRN Cc1occc1C(=O)NC1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893996178 734783847 /nfs/dbraw/zinc/78/38/47/734783847.db2.gz UOYFQALSVWFJPY-UHFFFAOYSA-N 0 0 350.365 2.966 20 10 FFCDRN Cc1nc(CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000733097030 734789547 /nfs/dbraw/zinc/78/95/47/734789547.db2.gz DKZQLDLKPCYNBX-UHFFFAOYSA-N 0 0 363.458 2.676 20 10 FFCDRN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCCCSc1nccs1 ZINC000733972877 734864995 /nfs/dbraw/zinc/86/49/95/734864995.db2.gz NNTMRVNVDPRADI-NEPJUHHUSA-N 0 0 373.569 2.689 20 10 FFCDRN Cc1c(C(=O)NCCCSc2nccs2)nnn1-c1ccccc1 ZINC000733974717 734865056 /nfs/dbraw/zinc/86/50/56/734865056.db2.gz LCXIESCSRZNPQR-UHFFFAOYSA-N 0 0 359.480 2.944 20 10 FFCDRN O=C([C@H]1CC[N@@H+](Cc2cc(Br)cc(F)c2[O-])C1)N1CCCC1 ZINC000894780427 734915601 /nfs/dbraw/zinc/91/56/01/734915601.db2.gz CVQUSOCETSPVNK-NSHDSACASA-N 0 0 371.250 2.738 20 10 FFCDRN CCOC(=O)CCCS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000734842818 734917716 /nfs/dbraw/zinc/91/77/16/734917716.db2.gz YMCQGUFDTHKPSQ-UHFFFAOYSA-N 0 0 370.515 2.636 20 10 FFCDRN CC1CCN(S(=O)(=O)c2cc(CO)ccc2N2CCC(F)CC2)CC1 ZINC000895137276 734967577 /nfs/dbraw/zinc/96/75/77/734967577.db2.gz ZIQSPBWKYYBJNZ-UHFFFAOYSA-N 0 0 370.490 2.538 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000895137764 734967714 /nfs/dbraw/zinc/96/77/14/734967714.db2.gz WZCDVJJYZBYHKI-UHFFFAOYSA-N 0 0 369.238 2.798 20 10 FFCDRN O=C1N(CC[NH2+]Cc2cccc(Br)c2[O-])C[C@@H]2CCCCN12 ZINC000895342023 734993686 /nfs/dbraw/zinc/99/36/86/734993686.db2.gz LMBRELBFFJDEGC-ZDUSSCGKSA-N 0 0 368.275 2.534 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000897357825 735224550 /nfs/dbraw/zinc/22/45/50/735224550.db2.gz NKFMLAJBNKHDAP-GVJMRKKJSA-N 0 0 365.065 2.778 20 10 FFCDRN O=C(NCCCO[C@@H]1CCCCO1)c1cc2cc(O)c(O)cc2s1 ZINC000897622968 735255882 /nfs/dbraw/zinc/25/58/82/735255882.db2.gz GBEGPOQMWAZOIR-MRXNPFEDSA-N 0 0 351.424 2.976 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000747249717 735549240 /nfs/dbraw/zinc/54/92/40/735549240.db2.gz DFSKZKUEMDLZMB-UHFFFAOYSA-N 0 0 360.479 2.905 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1cc(Cl)cc2cccnc21 ZINC000748482666 735649333 /nfs/dbraw/zinc/64/93/33/735649333.db2.gz WYJQTWSXZIIXEA-UHFFFAOYSA-N 0 0 355.781 2.849 20 10 FFCDRN CNC(=O)Cc1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)cs1 ZINC000749196861 735703440 /nfs/dbraw/zinc/70/34/40/735703440.db2.gz ZDGPBLUSSRVXCV-UHFFFAOYSA-N 0 0 358.511 2.662 20 10 FFCDRN CCC[C@@H](O)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000750282507 735780430 /nfs/dbraw/zinc/78/04/30/735780430.db2.gz JGTVEHVYVWNNJG-OAHLLOKOSA-N 0 0 356.413 2.924 20 10 FFCDRN COc1cc(S(=O)(=O)NCc2ccccc2O)ccc1Br ZINC000751148995 735849115 /nfs/dbraw/zinc/84/91/15/735849115.db2.gz HIZNUAXQUYMHPQ-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN O=C(CSc1nncs1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751307252 735863267 /nfs/dbraw/zinc/86/32/67/735863267.db2.gz IDRAGKZIKBSBTI-UHFFFAOYSA-N 0 0 368.447 2.979 20 10 FFCDRN CCCCCNC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751935839 735937773 /nfs/dbraw/zinc/93/77/73/735937773.db2.gz DBXLOXOCCVEVOI-UHFFFAOYSA-N 0 0 361.467 2.779 20 10 FFCDRN CC(C)O[C@]1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCOC1 ZINC000928745859 738903673 /nfs/dbraw/zinc/90/36/73/738903673.db2.gz IMVHQHUJGDMILO-KRWDZBQOSA-N 0 0 351.424 2.626 20 10 FFCDRN C[C@@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Br)cc(F)c1[O-] ZINC000903215934 736057045 /nfs/dbraw/zinc/05/70/45/736057045.db2.gz QYKFTEHYSXIKHM-ZJUUUORDSA-N 0 0 359.239 2.813 20 10 FFCDRN C[C@@H]([NH2+]CCN1CCCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000903226546 736060219 /nfs/dbraw/zinc/06/02/19/736060219.db2.gz HDMHSAYMNPFNMM-LLVKDONJSA-N 0 0 361.255 2.667 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCc2ccccc2O)cc(C(F)(F)F)c1 ZINC000753823548 736097524 /nfs/dbraw/zinc/09/75/24/736097524.db2.gz UTKJEIVDBXSURK-UHFFFAOYSA-N 0 0 352.312 2.974 20 10 FFCDRN CCOC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)[C@H]1CCCOC1 ZINC000754259117 736140852 /nfs/dbraw/zinc/14/08/52/736140852.db2.gz GSKIYSBKKQNYKZ-BLLLJJGKSA-N 0 0 369.845 2.696 20 10 FFCDRN C[C@H]([NH2+]CCNC(=O)C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756370398 736325765 /nfs/dbraw/zinc/32/57/65/736325765.db2.gz GWKJFGXECDMGEV-QMMMGPOBSA-N 0 0 361.667 2.985 20 10 FFCDRN C[C@H](CN1CCCC1=O)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756448294 736332155 /nfs/dbraw/zinc/33/21/55/736332155.db2.gz BDBBJGJDQOPPCM-ZJUUUORDSA-N 0 0 359.239 2.955 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(F)(F)c1nccs1 ZINC000756447914 736332258 /nfs/dbraw/zinc/33/22/58/736332258.db2.gz WTDYAPJDDPHXBD-UHFFFAOYSA-N 0 0 371.384 2.527 20 10 FFCDRN C[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(F)cc(F)c1[O-] ZINC000756456002 736332551 /nfs/dbraw/zinc/33/25/51/736332551.db2.gz LMPFRFREHKGXBL-YVEFUNNKSA-N 0 0 358.454 2.529 20 10 FFCDRN C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000756456751 736332909 /nfs/dbraw/zinc/33/29/09/736332909.db2.gz OGAGWPXJJOKZFN-GFCCVEGCSA-N 0 0 355.406 2.936 20 10 FFCDRN C[C@@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)cc(F)c1[O-] ZINC000756511153 736337661 /nfs/dbraw/zinc/33/76/61/736337661.db2.gz LXMVQYAZOYLUAJ-SKDRFNHKSA-N 0 0 362.239 2.732 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)c(F)cc1[O-] ZINC000756639827 736349223 /nfs/dbraw/zinc/34/92/23/736349223.db2.gz GFQXYFVMXWSGNX-QMMMGPOBSA-N 0 0 368.206 2.639 20 10 FFCDRN C[C@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756735645 736356578 /nfs/dbraw/zinc/35/65/78/736356578.db2.gz GGUQJLFKKUYUTE-IUCAKERBSA-N 0 0 357.223 2.708 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756776484 736360684 /nfs/dbraw/zinc/36/06/84/736360684.db2.gz ZOYJOQBSLGXTGU-JRKPZEMJSA-N 0 0 359.239 2.859 20 10 FFCDRN C[C@@H]([NH2+][C@H](CO)C1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000757659278 736417439 /nfs/dbraw/zinc/41/74/39/736417439.db2.gz LLWPGWKNWSACIB-YMTOWFKASA-N 0 0 362.239 2.732 20 10 FFCDRN CCOC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000758168529 736457997 /nfs/dbraw/zinc/45/79/97/736457997.db2.gz BMHVQWNOJWSVNF-UHFFFAOYSA-N 0 0 357.334 2.648 20 10 FFCDRN Cc1cc(C(N)=O)ccc1NC(=O)NCCCSc1nccs1 ZINC000758539350 736498796 /nfs/dbraw/zinc/49/87/96/736498796.db2.gz FNLPVLZMUOTWEV-UHFFFAOYSA-N 0 0 350.469 2.854 20 10 FFCDRN CCCCNC(=S)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000758920776 736531574 /nfs/dbraw/zinc/53/15/74/736531574.db2.gz VCFNCQWVHOIACM-UHFFFAOYSA-N 0 0 367.515 2.509 20 10 FFCDRN O=C(C[C@@H](O)C(Cl)(Cl)Cl)NCCCSc1nccs1 ZINC000906668985 736531692 /nfs/dbraw/zinc/53/16/92/736531692.db2.gz CFQKVXCBGJHJJF-SSDOTTSWSA-N 0 0 363.719 2.863 20 10 FFCDRN Cc1cc(C(=O)NC(C)(C)CS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000759266845 736558585 /nfs/dbraw/zinc/55/85/85/736558585.db2.gz RSSWDKDYRFWTMP-UHFFFAOYSA-N 0 0 362.495 2.956 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccccc2CSC)c1O ZINC000759381917 736565739 /nfs/dbraw/zinc/56/57/39/736565739.db2.gz YRMGXFOACDCGIS-UHFFFAOYSA-N 0 0 360.435 2.519 20 10 FFCDRN Cc1cc(C)c(CNC(=O)NCCCSc2nccs2)c(=O)[nH]1 ZINC000759547012 736576333 /nfs/dbraw/zinc/57/63/33/736576333.db2.gz YTVRTVTVGAQPEA-UHFFFAOYSA-N 0 0 352.485 2.842 20 10 FFCDRN O=C(NCCCOC1CCOCC1)NCCCSc1nccs1 ZINC000759585531 736578829 /nfs/dbraw/zinc/57/88/29/736578829.db2.gz SWESDVRTDBOBCG-UHFFFAOYSA-N 0 0 359.517 2.510 20 10 FFCDRN C[C@H](CNC(=O)NCCCSc1nccs1)CC1(C)OCCO1 ZINC000759585359 736578868 /nfs/dbraw/zinc/57/88/68/736578868.db2.gz HQDQYZFPLJVNNB-LBPRGKRZSA-N 0 0 359.517 2.714 20 10 FFCDRN COC(=O)c1cccc(CNC(=O)NCCCSc2nccs2)c1 ZINC000759603350 736580292 /nfs/dbraw/zinc/58/02/92/736580292.db2.gz VLBAWZYCTKZTQG-UHFFFAOYSA-N 0 0 365.480 2.911 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)[C@@]12CCCO2 ZINC000760127909 736616785 /nfs/dbraw/zinc/61/67/85/736616785.db2.gz GACZIRXIGFVOHT-ZENOOKHLSA-N 0 0 371.528 2.651 20 10 FFCDRN COc1cc(Cl)cc(CN2CCNC(=O)[C@H]2c2ccccc2F)c1O ZINC000761217405 736708405 /nfs/dbraw/zinc/70/84/05/736708405.db2.gz USABENOAVMDBFD-MRXNPFEDSA-N 0 0 364.804 2.866 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1csc(Nc2ccccn2)n1 ZINC000762268534 736809512 /nfs/dbraw/zinc/80/95/12/736809512.db2.gz JCWITVOFVJBPLC-UHFFFAOYSA-N 0 0 356.407 2.665 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](CCO)C2CCOCC2)c1 ZINC000763467835 736939501 /nfs/dbraw/zinc/93/95/01/736939501.db2.gz TVYSYCQDZPWGGO-OAHLLOKOSA-N 0 0 358.276 2.730 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cccc(-n2cccn2)n1 ZINC000765730529 737150198 /nfs/dbraw/zinc/15/01/98/737150198.db2.gz WCWQPZHGZWPKET-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN CNc1snc(C)c1C(=O)NCc1cccc(Br)c1O ZINC000765756919 737154655 /nfs/dbraw/zinc/15/46/55/737154655.db2.gz OTJYUDIKFAVAJO-UHFFFAOYSA-N 0 0 356.245 2.891 20 10 FFCDRN COc1cccc(C(=O)NCc2cccc(Br)c2O)c1O ZINC000765763410 737155445 /nfs/dbraw/zinc/15/54/45/737155445.db2.gz BATCLHAACIQWHV-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN COC(=O)c1ccc(C(=O)NCc2cccc(Br)c2O)s1 ZINC000765771287 737157003 /nfs/dbraw/zinc/15/70/03/737157003.db2.gz ZJNJKFCIAZTOTD-UHFFFAOYSA-N 0 0 370.224 2.933 20 10 FFCDRN CN(C)c1ccc(CNc2ncc(I)cn2)cc1 ZINC000766042620 737185943 /nfs/dbraw/zinc/18/59/43/737185943.db2.gz LRBLWRJKXIRTPH-UHFFFAOYSA-N 0 0 354.195 2.759 20 10 FFCDRN COc1ccc(O)c([C@@H](C)Nc2ncc(I)cn2)c1 ZINC000766077083 737190948 /nfs/dbraw/zinc/19/09/48/737190948.db2.gz KVIMSDFBSZMCDA-MRVPVSSYSA-N 0 0 371.178 2.969 20 10 FFCDRN COc1ccc2c(c1)CCCN2Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000766239608 737211539 /nfs/dbraw/zinc/21/15/39/737211539.db2.gz NPKUVHOARWFHSD-UHFFFAOYSA-N 0 0 360.479 2.898 20 10 FFCDRN Cc1csc(CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000766414224 737228038 /nfs/dbraw/zinc/22/80/38/737228038.db2.gz DZDZEIGDOJDNDU-UHFFFAOYSA-N 0 0 363.458 2.676 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC(C(F)F)CC1 ZINC000766885887 737271716 /nfs/dbraw/zinc/27/17/16/737271716.db2.gz RVPBWDQLLIUALC-UHFFFAOYSA-N 0 0 353.413 2.710 20 10 FFCDRN O=C(NCCCSc1nccs1)c1coc(C2CCOCC2)n1 ZINC000767920898 737382594 /nfs/dbraw/zinc/38/25/94/737382594.db2.gz FSADPAVCAFQJLK-UHFFFAOYSA-N 0 0 353.469 2.937 20 10 FFCDRN O=S(=O)(CC1(F)CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000914137502 737513404 /nfs/dbraw/zinc/51/34/04/737513404.db2.gz CWGOAYWYQBOXNO-HNNXBMFYSA-N 0 0 357.447 2.595 20 10 FFCDRN CC(C)[C@@H](C(=O)NCc1ccccc1O)S(=O)(=O)C1CCCCC1 ZINC000769362368 737521256 /nfs/dbraw/zinc/52/12/56/737521256.db2.gz IYZVICBEXGPKDR-KRWDZBQOSA-N 0 0 353.484 2.781 20 10 FFCDRN CCC[C@@H]1CCCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769765555 737564419 /nfs/dbraw/zinc/56/44/19/737564419.db2.gz CDZQGWIYNJKULO-IUODEOHRSA-N 0 0 354.472 2.852 20 10 FFCDRN CCCCC[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000770030810 737590341 /nfs/dbraw/zinc/59/03/41/737590341.db2.gz SQBRFEHAAKAEAE-AWEZNQCLSA-N 0 0 354.472 2.949 20 10 FFCDRN C[S@@](=O)c1cccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000770221893 737607009 /nfs/dbraw/zinc/60/70/09/737607009.db2.gz YQCNQBLQFJUWOI-RUZDIDTESA-N 0 0 374.531 2.907 20 10 FFCDRN COc1ccc(CNS(=O)(=O)[C@H]2C[C@@H]2c2cccc(F)c2)c(O)c1 ZINC000915164949 737611259 /nfs/dbraw/zinc/61/12/59/737611259.db2.gz PPPMMJUJNCWYBH-WBVHZDCISA-N 0 0 351.399 2.515 20 10 FFCDRN Cc1nc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cs1 ZINC000916230025 737688342 /nfs/dbraw/zinc/68/83/42/737688342.db2.gz IPZDGFCQHAROTD-UHFFFAOYSA-N 0 0 360.483 2.630 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000771756112 737752275 /nfs/dbraw/zinc/75/22/75/737752275.db2.gz LSRGTVUQJFBGPZ-UHFFFAOYSA-N 0 0 360.479 2.865 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CCn2cc(Br)cn2)cc1 ZINC000917954012 737785821 /nfs/dbraw/zinc/78/58/21/737785821.db2.gz BLWHDMABJHSHNW-UHFFFAOYSA-N 0 0 365.275 2.760 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OCC(=O)NCc1cccc(Cl)c1 ZINC000772764948 737840665 /nfs/dbraw/zinc/84/06/65/737840665.db2.gz ITECEORJAGNLHP-ALCCZGGFSA-N 0 0 361.781 2.624 20 10 FFCDRN Cc1csc2ncc(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)c(=O)n12 ZINC000773016231 737863840 /nfs/dbraw/zinc/86/38/40/737863840.db2.gz RXWIFENYRSXJHZ-GFCCVEGCSA-N 0 0 356.451 2.621 20 10 FFCDRN COc1cc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnc1Cl ZINC000773086614 737870274 /nfs/dbraw/zinc/87/02/74/737870274.db2.gz FDSIJRACYQYWJI-LLVKDONJSA-N 0 0 369.874 2.849 20 10 FFCDRN COc1ccc(Cl)cc1NC=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000920974181 737937426 /nfs/dbraw/zinc/93/74/26/737937426.db2.gz COCUDGZAKXCCKA-YRNVUSSQSA-N 0 0 367.858 2.544 20 10 FFCDRN CC(C)CN1C(=O)C(=CN[C@@H](C)c2ccc(Cl)cc2)C(=O)NC1=S ZINC000920980742 737937784 /nfs/dbraw/zinc/93/77/84/737937784.db2.gz ZJPPWHGLESUUEV-KYJZABPNSA-N 0 0 365.886 2.774 20 10 FFCDRN CC(C)CN1C(=O)C(=CN[C@@H](C)c2ccccc2Cl)C(=O)NC1=S ZINC000920980414 737937820 /nfs/dbraw/zinc/93/78/20/737937820.db2.gz MTMNIHJGJIUOAQ-LFTLCWSBSA-N 0 0 365.886 2.774 20 10 FFCDRN C[C@H](NC(=O)C(=O)Nc1scnc1C1CC1)c1ccc(N(C)C)cc1 ZINC000773845408 737938776 /nfs/dbraw/zinc/93/87/76/737938776.db2.gz JBIDJLYDYGWDCP-NSHDSACASA-N 0 0 358.467 2.902 20 10 FFCDRN O=S(=O)(CCCOCc1ccccc1)NCc1c(O)cccc1F ZINC000921452753 737986727 /nfs/dbraw/zinc/98/67/27/737986727.db2.gz YNGSQHLMKXCMTC-UHFFFAOYSA-N 0 0 353.415 2.558 20 10 FFCDRN CO[C@H]1CCC[C@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000774684386 738014626 /nfs/dbraw/zinc/01/46/26/738014626.db2.gz 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738168415 /nfs/dbraw/zinc/16/84/15/738168415.db2.gz ARRCIMSEDDFBLE-LLVKDONJSA-N 0 0 365.065 2.778 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]CC1(C2(O)CCOCC2)CC1 ZINC000922597617 738171498 /nfs/dbraw/zinc/17/14/98/738171498.db2.gz SDPBTSDJHVNFRI-UHFFFAOYSA-N 0 0 356.260 2.566 20 10 FFCDRN C[C@H](NC(=O)N1CCCN(CC(F)F)CC1)c1ccc(N(C)C)cc1 ZINC000776243564 738174094 /nfs/dbraw/zinc/17/40/94/738174094.db2.gz DUXVAISXNPMPRO-AWEZNQCLSA-N 0 0 354.445 2.796 20 10 FFCDRN O=C(COC(=O)c1cccc(O)c1O)NCCCSc1ccccc1 ZINC000776281412 738177565 /nfs/dbraw/zinc/17/75/65/738177565.db2.gz CLEXQLKSMDKECH-UHFFFAOYSA-N 0 0 361.419 2.553 20 10 FFCDRN CC(C)(C)OC(=O)NC1CC(CC(=O)NCc2c(O)cccc2F)C1 ZINC000928710151 738898358 /nfs/dbraw/zinc/89/83/58/738898358.db2.gz OWVFRJMWKHJVHO-UHFFFAOYSA-N 0 0 352.406 2.841 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CCCCS2(=O)=O)c1 ZINC000784614477 738908341 /nfs/dbraw/zinc/90/83/41/738908341.db2.gz ZYFBFFTYKKTBLQ-GFCCVEGCSA-N 0 0 362.289 2.520 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CC[C@H](C2CC2)O1 ZINC000929004735 738929950 /nfs/dbraw/zinc/92/99/50/738929950.db2.gz YAPGOHIDTBYTEU-GDBMZVCRSA-N 0 0 364.829 2.767 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cn3cnc(Cl)c3Cl)CC2)cc1 ZINC000784985429 738930581 /nfs/dbraw/zinc/93/05/81/738930581.db2.gz IFIRQJNLOOBDAV-UHFFFAOYSA-N 0 0 369.252 2.547 20 10 FFCDRN COC(=O)COc1ccc(N(C)C[C@@H](C)NC(=O)OC(C)(C)C)cc1 ZINC000785490785 738969842 /nfs/dbraw/zinc/96/98/42/738969842.db2.gz ZFIWVLZHBFKWBM-CYBMUJFWSA-N 0 0 352.431 2.588 20 10 FFCDRN C[C@H](NC(=O)c1cn2ccnc2s1)c1ccc(N2CCOCC2)cc1 ZINC000785539824 738975841 /nfs/dbraw/zinc/97/58/41/738975841.db2.gz BZCAMJUKFNIPKP-ZDUSSCGKSA-N 0 0 356.451 2.723 20 10 FFCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCCc1c[nH][nH]c1=O ZINC000929740183 739016698 /nfs/dbraw/zinc/01/66/98/739016698.db2.gz ITAUVDAKSROLLC-NSHDSACASA-N 0 0 367.247 2.699 20 10 FFCDRN COc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1F ZINC000786867168 739084001 /nfs/dbraw/zinc/08/40/01/739084001.db2.gz SRMZIOAUXGFKPW-LBPRGKRZSA-N 0 0 352.431 2.940 20 10 FFCDRN O=Cc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(Cl)s1 ZINC000930520304 739121907 /nfs/dbraw/zinc/12/19/07/739121907.db2.gz RWOBJPKGZROCDW-UHFFFAOYSA-N 0 0 364.854 2.981 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C)cnc2Cl)c1 ZINC000787883670 739183216 /nfs/dbraw/zinc/18/32/16/739183216.db2.gz LZTABISAVOTKGC-SNVBAGLBSA-N 0 0 363.801 2.574 20 10 FFCDRN CCCCS(=O)(=O)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000930933375 739187685 /nfs/dbraw/zinc/18/76/85/739187685.db2.gz CJPZGWHBNRCKKW-UHFFFAOYSA-N 0 0 352.500 2.508 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccc(N2CCOCC2)cn1 ZINC000931027570 739201088 /nfs/dbraw/zinc/20/10/88/739201088.db2.gz UEVIZYKAZKBXFA-UHFFFAOYSA-N 0 0 362.817 2.599 20 10 FFCDRN COc1ccc(N2CCN(CCOC3CCSCC3)CC2)c(OC)c1 ZINC000931530806 739280720 /nfs/dbraw/zinc/28/07/20/739280720.db2.gz QDDRUEHNLXOGKR-UHFFFAOYSA-N 0 0 366.527 2.738 20 10 FFCDRN Cc1cscc1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788936288 739300142 /nfs/dbraw/zinc/30/01/42/739300142.db2.gz JOAXGCHGEDCBOZ-UHFFFAOYSA-N 0 0 357.479 2.589 20 10 FFCDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000789880785 739393635 /nfs/dbraw/zinc/39/36/35/739393635.db2.gz UIVZUZUHQRWSTP-INIZCTEOSA-N 0 0 354.516 2.610 20 10 FFCDRN COC[C@@H](C)CS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000790018134 739407187 /nfs/dbraw/zinc/40/71/87/739407187.db2.gz QTZFQBRFUCJKLJ-MRXNPFEDSA-N 0 0 354.516 2.625 20 10 FFCDRN COC[C@@](C)(NC(=O)NCc1ccc(N2CC=CC2)cc1)C(F)(F)F ZINC000932339500 739435369 /nfs/dbraw/zinc/43/53/69/739435369.db2.gz VZADFAKCDCUPOC-MRXNPFEDSA-N 0 0 357.376 2.829 20 10 FFCDRN COc1cc(Cl)c(S(=O)(=O)NCc2ccccc2O)cc1OC ZINC000790384253 739446151 /nfs/dbraw/zinc/44/61/51/739446151.db2.gz LSTMUSSESFXFLH-UHFFFAOYSA-N 0 0 357.815 2.541 20 10 FFCDRN O=[N+]([O-])c1ccc(NC(=S)NNc2cccc(F)c2[N+](=O)[O-])cc1 ZINC000790606917 739473667 /nfs/dbraw/zinc/47/36/67/739473667.db2.gz FPJUMBAKLKYWQJ-UHFFFAOYSA-N 0 0 351.319 2.956 20 10 FFCDRN Cc1cc(C(=O)OCCC2CS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000790630467 739477532 /nfs/dbraw/zinc/47/75/32/739477532.db2.gz FQJICNJMDUSRGV-UHFFFAOYSA-N 0 0 361.463 2.994 20 10 FFCDRN CCCNc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000790871538 739507439 /nfs/dbraw/zinc/50/74/39/739507439.db2.gz YJMQQDZMGYLOHT-UHFFFAOYSA-N 0 0 363.439 2.838 20 10 FFCDRN C[C@@H](NC(=O)c1ccc(F)c(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000790968069 739519362 /nfs/dbraw/zinc/51/93/62/739519362.db2.gz LQCHGJXWMMZMDT-GFCCVEGCSA-N 0 0 364.442 2.786 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCCOC ZINC000791249958 739540004 /nfs/dbraw/zinc/54/00/04/739540004.db2.gz NXXOYKRMJMOTCQ-UHFFFAOYSA-N 0 0 350.459 2.802 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cccc(=O)[nH]1 ZINC000791384524 739556882 /nfs/dbraw/zinc/55/68/82/739556882.db2.gz HZYODGQFIVHFTK-UHFFFAOYSA-N 0 0 351.200 2.918 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000792098175 739637976 /nfs/dbraw/zinc/63/79/76/739637976.db2.gz 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/nfs/dbraw/zinc/14/21/55/740142155.db2.gz ZBEZKZPKZYZKMI-UHFFFAOYSA-N 0 0 350.469 2.634 20 10 FFCDRN COc1ccc(CS(C)(=O)=O)cc1NCc1cccc2c1OCCO2 ZINC000796469860 740145788 /nfs/dbraw/zinc/14/57/88/740145788.db2.gz KJEATOWCESFBTR-UHFFFAOYSA-N 0 0 363.435 2.623 20 10 FFCDRN CCOc1ccc(N(C)Cc2c(C)nn(CCS(C)(=O)=O)c2C)cc1 ZINC000797964832 740293278 /nfs/dbraw/zinc/29/32/78/740293278.db2.gz DOXARQSPLFDVJX-UHFFFAOYSA-N 0 0 365.499 2.580 20 10 FFCDRN Cc1c[nH]nc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000799418172 740417290 /nfs/dbraw/zinc/41/72/90/740417290.db2.gz FJGNLPWVERPJLH-LBPRGKRZSA-N 0 0 350.369 2.718 20 10 FFCDRN COc1ccc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000799763902 740448706 /nfs/dbraw/zinc/44/87/06/740448706.db2.gz KQTFLFASWYAWBK-UHFFFAOYSA-N 0 0 361.467 2.510 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCNC(=O)C3)cc2Cl)C1 ZINC000800048438 740478320 /nfs/dbraw/zinc/47/83/20/740478320.db2.gz BCKDSPQFSMGUMZ-ZFWWWQNUSA-N 0 0 363.889 2.719 20 10 FFCDRN CCOc1cccc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000800057573 740479580 /nfs/dbraw/zinc/47/95/80/740479580.db2.gz HGTYGOXFPKAGJX-LBPRGKRZSA-N 0 0 351.424 2.839 20 10 FFCDRN O=C(N[C@H]1COc2cc(F)c(Br)cc21)c1cccc(O)c1O ZINC000800661262 740541122 /nfs/dbraw/zinc/54/11/22/740541122.db2.gz QWHQWACTBPKYTD-NSHDSACASA-N 0 0 368.158 2.863 20 10 FFCDRN O=C(NCCCOC(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000802440345 740703709 /nfs/dbraw/zinc/70/37/09/740703709.db2.gz ROAKDBMKGIKKKF-CQSZACIVSA-N 0 0 358.385 2.712 20 10 FFCDRN COc1ccc(CNC(=O)[C@H](O)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000803292185 740785282 /nfs/dbraw/zinc/78/52/82/740785282.db2.gz KJJXPWJQQDKKIX-OAHLLOKOSA-N 0 0 355.312 2.769 20 10 FFCDRN COC(=O)c1cc(C)nc(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000804357683 740863840 /nfs/dbraw/zinc/86/38/40/740863840.db2.gz IVGOZGUXFIOURH-UHFFFAOYSA-N 0 0 358.467 2.737 20 10 FFCDRN COC(=O)c1ccc(C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804737092 740901100 /nfs/dbraw/zinc/90/11/00/740901100.db2.gz DZJLAYCBEFLHAU-UHFFFAOYSA-N 0 0 364.195 2.871 20 10 FFCDRN O=C(Cc1ccc2c(c1)CCO2)NCc1cc(Br)ccc1O ZINC000804737227 740901470 /nfs/dbraw/zinc/90/14/70/740901470.db2.gz GGPMXDKNWIHSGC-UHFFFAOYSA-N 0 0 362.223 2.949 20 10 FFCDRN C[C@@H](Oc1cccnc1)C(=O)NCc1cc(Br)ccc1O ZINC000804738840 740901848 /nfs/dbraw/zinc/90/18/48/740901848.db2.gz GRMYOGUGGCJNLU-SNVBAGLBSA-N 0 0 351.200 2.633 20 10 FFCDRN O=C(COCc1ccccc1)NCc1cc(Br)ccc1O ZINC000804738347 740901859 /nfs/dbraw/zinc/90/18/59/740901859.db2.gz MUVZSPFMILHYQJ-UHFFFAOYSA-N 0 0 350.212 2.988 20 10 FFCDRN COCc1ncsc1C(=O)NCc1cc(Br)ccc1O ZINC000804741263 740902312 /nfs/dbraw/zinc/90/23/12/740902312.db2.gz VSACCXJRPLORIZ-UHFFFAOYSA-N 0 0 357.229 2.688 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1occ2c1CCOC2 ZINC000804740979 740902345 /nfs/dbraw/zinc/90/23/45/740902345.db2.gz QUAMOCHNCDCZBI-UHFFFAOYSA-N 0 0 352.184 2.750 20 10 FFCDRN COC(=O)c1cc(Cl)cc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1O ZINC000804899174 740913982 /nfs/dbraw/zinc/91/39/82/740913982.db2.gz CURZFMNLEGNJJY-HWKANZROSA-N 0 0 363.753 2.895 20 10 FFCDRN CCOC(=O)C(C)(C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000805166959 740947026 /nfs/dbraw/zinc/94/70/26/740947026.db2.gz VPJBBOCJBYJIRJ-UHFFFAOYSA-N 0 0 364.511 2.835 20 10 FFCDRN Cc1cc(C[C@H](C)NC(=O)NCc2cc(Br)ccc2O)[nH]n1 ZINC000805218646 740950705 /nfs/dbraw/zinc/95/07/05/740950705.db2.gz IOMJJDFJKKZNCR-VIFPVBQESA-N 0 0 367.247 2.617 20 10 FFCDRN CC[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806158810 741044305 /nfs/dbraw/zinc/04/43/05/741044305.db2.gz RTAUNBIAOSUXAI-GFCCVEGCSA-N 0 0 357.241 2.893 20 10 FFCDRN C[C@H]1CO[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000806633725 741077221 /nfs/dbraw/zinc/07/72/21/741077221.db2.gz BHCFJIUNTVWXRA-HZMBPMFUSA-N 0 0 363.355 2.753 20 10 FFCDRN COC[C@]1(CNC(=O)C2=CC(=O)CS2)CCCN1C(=O)OC(C)(C)C ZINC000807754393 741154356 /nfs/dbraw/zinc/15/43/56/741154356.db2.gz GLADCGBCIZSFHS-QGZVFWFLSA-N 0 0 370.471 2.600 20 10 FFCDRN Cn1cnc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000808378929 741220474 /nfs/dbraw/zinc/22/04/74/741220474.db2.gz ATUBEGUMZMEYHG-UHFFFAOYSA-N 0 0 354.376 2.565 20 10 FFCDRN CC(=O)C(=O)COC(=O)CCc1nc2cc(Br)ccc2s1 ZINC000808524485 741232538 /nfs/dbraw/zinc/23/25/38/741232538.db2.gz VRBXCONTTJIOGS-UHFFFAOYSA-N 0 0 370.224 2.693 20 10 FFCDRN COc1cc(Br)cc(C[N@H+](C)CCCn2ccnc2)c1O ZINC000809752773 741340107 /nfs/dbraw/zinc/34/01/07/741340107.db2.gz IKEHZDCXVNFGAF-UHFFFAOYSA-N 0 0 354.248 2.882 20 10 FFCDRN O=C([C@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1)N1CCCC1 ZINC000809771948 741342067 /nfs/dbraw/zinc/34/20/67/741342067.db2.gz QLIHFLPXGJPLRA-ZDUSSCGKSA-N 0 0 353.260 2.599 20 10 FFCDRN CCS(=O)(=O)N1CCC([C@@H](C)[N@H+](C)Cc2cc(Cl)ccc2[O-])CC1 ZINC000809785982 741343675 /nfs/dbraw/zinc/34/36/75/741343675.db2.gz JZLSWDOIOZWCRV-CYBMUJFWSA-N 0 0 374.934 2.928 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)CCC3CCC3)CC2)cc1 ZINC000809814653 741346845 /nfs/dbraw/zinc/34/68/45/741346845.db2.gz WAJFTKKMNBSGRN-UHFFFAOYSA-N 0 0 352.500 2.774 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)C[C@@H](C)S1(=O)=O ZINC000811517787 741533327 /nfs/dbraw/zinc/53/33/27/741533327.db2.gz CCJSAHXIAOYZTO-VXGBXAGGSA-N 0 0 364.433 2.779 20 10 FFCDRN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC000816495182 742034238 /nfs/dbraw/zinc/03/42/38/742034238.db2.gz NBYVIHLDBCVWMT-VXGBXAGGSA-N 0 0 358.841 2.548 20 10 FFCDRN COc1ccc(CNC(=O)C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816542164 742039828 /nfs/dbraw/zinc/03/98/28/742039828.db2.gz FLJLNLGEEBQOQH-UHFFFAOYSA-N 0 0 352.793 2.599 20 10 FFCDRN CCOC(=O)C1(COC)CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000816596773 742045903 /nfs/dbraw/zinc/04/59/03/742045903.db2.gz PWVWVYWLUIMBBC-UHFFFAOYSA-N 0 0 359.825 2.976 20 10 FFCDRN O=C(Cc1ccncc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000816891530 742069184 /nfs/dbraw/zinc/06/91/84/742069184.db2.gz VPCAFTDIBGUXEG-UHFFFAOYSA-N 0 0 363.820 2.570 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817456337 742148457 /nfs/dbraw/zinc/14/84/57/742148457.db2.gz ZSZHOJQATLCTCW-ZNMIVQPWSA-N 0 0 350.409 2.854 20 10 FFCDRN Cc1cc(C(=O)N2CC3(C2)CNC(=O)O3)c(C)n1-c1cccc(Cl)c1 ZINC000817681682 742195942 /nfs/dbraw/zinc/19/59/42/742195942.db2.gz HJEDEXCOIQWLPG-UHFFFAOYSA-N 0 0 359.813 2.682 20 10 FFCDRN COC1([C@H](C)NC(=O)NCCCSc2nccs2)CCOCC1 ZINC000817776245 742211064 /nfs/dbraw/zinc/21/10/64/742211064.db2.gz DEIONLWVWCCSDW-LBPRGKRZSA-N 0 0 359.517 2.509 20 10 FFCDRN COC(=O)c1ccc(CNC(=O)NCCCSc2nccs2)s1 ZINC000817777157 742211560 /nfs/dbraw/zinc/21/15/60/742211560.db2.gz RXADOQTULUNREQ-UHFFFAOYSA-N 0 0 371.509 2.973 20 10 FFCDRN CC[C@H](COCC(F)(F)F)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819170154 742347133 /nfs/dbraw/zinc/34/71/33/742347133.db2.gz XKIPMYOQUPOAMH-GFCCVEGCSA-N 0 0 360.332 2.514 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]3CSCCS3)C2)cc1 ZINC000819585467 742410932 /nfs/dbraw/zinc/41/09/32/742410932.db2.gz FQZIMIADUCCDFD-RHSMWYFYSA-N 0 0 366.552 2.876 20 10 FFCDRN Cn1ncc(Cl)c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000822553812 742751112 /nfs/dbraw/zinc/75/11/12/742751112.db2.gz NXOUAWZKDFRLTK-UHFFFAOYSA-N 0 0 350.875 2.557 20 10 FFCDRN Cc1cc(C2(C(=O)NCc3cc(Br)ccc3O)CC2)on1 ZINC000822898535 742799428 /nfs/dbraw/zinc/79/94/28/742799428.db2.gz JHRSKIZYZAUUMI-UHFFFAOYSA-N 0 0 351.200 2.799 20 10 FFCDRN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc(CF)cc1 ZINC000823430997 742909528 /nfs/dbraw/zinc/90/95/28/742909528.db2.gz PHLJBDOAXNKSHL-UHFFFAOYSA-N 0 0 362.426 2.643 20 10 FFCDRN C[C@@H]1[C@H](C)SCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823554265 742935538 /nfs/dbraw/zinc/93/55/38/742935538.db2.gz UFOTVEXAUVQPIY-CABCVRRESA-N 0 0 363.527 2.683 20 10 FFCDRN CCSCCCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823569896 742937973 /nfs/dbraw/zinc/93/79/73/742937973.db2.gz MQZRJOOHLIPIHD-OAHLLOKOSA-N 0 0 351.516 2.964 20 10 FFCDRN C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)N(C)Cc1ccccc1O ZINC000824205401 743037478 /nfs/dbraw/zinc/03/74/78/743037478.db2.gz BDRJBDCMHHYCRI-CYBMUJFWSA-N 0 0 351.447 2.789 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H](C(=O)OC(C)(C)C)C2CC2)cc1F ZINC000824669113 743126560 /nfs/dbraw/zinc/12/65/60/743126560.db2.gz GCXKLIQLSGCLKL-INIZCTEOSA-N 0 0 350.434 2.876 20 10 FFCDRN Oc1cc(Br)ccc1CNc1ccc(N2CCOCC2)cn1 ZINC000825132023 743216078 /nfs/dbraw/zinc/21/60/78/743216078.db2.gz VYBYRDGDWDXOIX-UHFFFAOYSA-N 0 0 364.243 2.998 20 10 FFCDRN C/C(=C\C(=O)NCc1ccc(N2CCSCC2)cc1)c1cnccn1 ZINC000825305632 743244983 /nfs/dbraw/zinc/24/49/83/743244983.db2.gz PCQOSZFIQZBZPB-NTCAYCPXSA-N 0 0 354.479 2.750 20 10 FFCDRN COC(=O)[C@@H](CC(F)(F)F)NCc1ccc(Br)cc1O ZINC000825671857 743308914 /nfs/dbraw/zinc/30/89/14/743308914.db2.gz QVJUYIUYJMKVAZ-SECBINFHSA-N 0 0 356.138 2.738 20 10 FFCDRN CCN(CCSC)C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000825776974 743326076 /nfs/dbraw/zinc/32/60/76/743326076.db2.gz WWDCWTKAEKODPQ-HNNXBMFYSA-N 0 0 351.516 2.979 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1ccc(N2CCCCC2)cc1)C(C)C ZINC000827047705 743494995 /nfs/dbraw/zinc/49/49/95/743494995.db2.gz JUALPISSRAPSGK-SFHVURJKSA-N 0 0 354.516 2.767 20 10 FFCDRN CC(C)(C)OC(=O)N1CC2(C1)C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])CO2 ZINC000827065158 743497914 /nfs/dbraw/zinc/49/79/14/743497914.db2.gz IEYMYZAFSKGRHB-CYBMUJFWSA-N 0 0 368.861 2.914 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C=O)n1C ZINC000827081890 743501733 /nfs/dbraw/zinc/50/17/33/743501733.db2.gz YARKFOJYHROLOB-UHFFFAOYSA-N 0 0 365.227 2.968 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCCC1CCOCC1 ZINC000827159643 743522643 /nfs/dbraw/zinc/52/26/43/743522643.db2.gz GDECRWYSFJYLOM-UHFFFAOYSA-N 0 0 354.516 2.687 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)CCOCC1CCC1 ZINC000827694177 744961953 /nfs/dbraw/zinc/96/19/53/744961953.db2.gz AFOHUBIBYMXNJK-MRXNPFEDSA-N 0 0 368.543 2.728 20 10 FFCDRN Oc1ccc(F)cc1CN1CC(O)(c2ccc(Br)cc2)C1 ZINC000827757677 744972158 /nfs/dbraw/zinc/97/21/58/744972158.db2.gz IAJRWNPAVLZULT-UHFFFAOYSA-N 0 0 352.203 2.997 20 10 FFCDRN C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)c1ccccc1O ZINC000827930649 745003241 /nfs/dbraw/zinc/00/32/41/745003241.db2.gz OGMGUECLZGWKKQ-YPMHNXCESA-N 0 0 352.456 2.879 20 10 FFCDRN C[C@H](NC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC1(F)F)c1ccccc1O ZINC000827984798 745010535 /nfs/dbraw/zinc/01/05/35/745010535.db2.gz FOPFHJSXOAXXAV-QFYYESIMSA-N 0 0 356.369 2.872 20 10 FFCDRN Cc1cc(C(=O)CN2C[C@H]3C[C@@]3(CO)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000829106073 745165982 /nfs/dbraw/zinc/16/59/82/745165982.db2.gz GWHPZMJMRCDPIJ-KUHUBIRLSA-N 0 0 359.857 2.639 20 10 FFCDRN CCOC[C@@H](C)CS(=O)(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000829872622 745272926 /nfs/dbraw/zinc/27/29/26/745272926.db2.gz SKOYKCOVROGEHD-MRXNPFEDSA-N 0 0 356.532 2.967 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H](CC(=O)NCc1c(O)cccc1F)C(F)F ZINC000830180125 745319021 /nfs/dbraw/zinc/31/90/21/745319021.db2.gz IDIRWSCKYXBVMU-LLVKDONJSA-N 0 0 362.348 2.696 20 10 FFCDRN C[C@@H](NS(=O)(=O)CC1CC(F)(F)C1)c1ccc(N2CCOCC2)cc1 ZINC000830200238 745322385 /nfs/dbraw/zinc/32/23/85/745322385.db2.gz AFISZGCYSSKKLO-CYBMUJFWSA-N 0 0 374.453 2.549 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000830540266 745377686 /nfs/dbraw/zinc/37/76/86/745377686.db2.gz IDLFJDDPJSLTLT-QMTHXVAHSA-N 0 0 357.332 2.968 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834828260 745909040 /nfs/dbraw/zinc/90/90/40/745909040.db2.gz QTHHOGRAMYPYEN-RYUDHWBXSA-N 0 0 362.407 2.522 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000834828773 745909645 /nfs/dbraw/zinc/90/96/45/745909645.db2.gz ZETRNCDIBXRXQQ-WDEREUQCSA-N 0 0 353.390 2.892 20 10 FFCDRN COC[C@](C)(O)CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000834845182 745913540 /nfs/dbraw/zinc/91/35/40/745913540.db2.gz XWIBZEFXOLAUBB-LKFCYVNXSA-N 0 0 350.228 2.732 20 10 FFCDRN O=C(NC(CF)CF)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000836530661 746248774 /nfs/dbraw/zinc/24/87/74/746248774.db2.gz ZQWROHGOXZWAQA-UHFFFAOYSA-N 0 0 363.355 2.864 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H](c2nccs2)C(F)(F)F)c1 ZINC000836691851 746285508 /nfs/dbraw/zinc/28/55/08/746285508.db2.gz AYOWDKWLSVNNEL-NSHDSACASA-N 0 0 361.345 2.960 20 10 FFCDRN CN(C(=O)c1cccc(O)c1O)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000836874938 746322738 /nfs/dbraw/zinc/32/27/38/746322738.db2.gz ZYNYTZGOBPVFPL-UHFFFAOYSA-N 0 0 350.415 2.617 20 10 FFCDRN CC(Cl)(Cl)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709405 746503981 /nfs/dbraw/zinc/50/39/81/746503981.db2.gz VCOWFIBADBTHKQ-UHFFFAOYSA-N 0 0 353.196 2.611 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1sccc1F ZINC000837715106 746505182 /nfs/dbraw/zinc/50/51/82/746505182.db2.gz QTLFYGOHZUXUBI-UHFFFAOYSA-N 0 0 356.369 2.932 20 10 FFCDRN CC[C@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000838390556 746629923 /nfs/dbraw/zinc/62/99/23/746629923.db2.gz GJSXRYNXSUGJBZ-WBVHZDCISA-N 0 0 351.466 2.974 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000838512831 746655611 /nfs/dbraw/zinc/65/56/11/746655611.db2.gz AFKNNMHQNHYQOS-MCIONIFRSA-N 0 0 355.529 2.960 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)[C@H](C)NC(=O)OC(C)(C)C ZINC000838652019 746685663 /nfs/dbraw/zinc/68/56/63/746685663.db2.gz IIOVNNAUBGLLDM-OLZOCXBDSA-N 0 0 351.447 2.835 20 10 FFCDRN C[C@H]1c2ccc(Cl)n2CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839529290 746848119 /nfs/dbraw/zinc/84/81/19/746848119.db2.gz RNEGLCHGXUZFRG-AWEZNQCLSA-N 0 0 360.889 2.901 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H](C)N(C)CC(F)(F)F ZINC000839922499 746961514 /nfs/dbraw/zinc/96/15/14/746961514.db2.gz WJFFGLYOJPWLHC-KGLIPLIRSA-N 0 0 359.436 2.991 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccnn1CC(F)F ZINC000839922209 746961526 /nfs/dbraw/zinc/96/15/26/746961526.db2.gz RNPWAGHCRPJTML-CYBMUJFWSA-N 0 0 350.413 2.884 20 10 FFCDRN C[C@@H]1C[C@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)O1 ZINC000840259272 747050368 /nfs/dbraw/zinc/05/03/68/747050368.db2.gz XSIDEVOAOXGPEQ-HLLBOEOZSA-N 0 0 363.527 2.853 20 10 FFCDRN COC(=O)[C@@]1(C)CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000840325397 747065747 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COc1ccc(N2CCN(C(=O)c3cccc(SC)n3)CC2)cc1F ZINC000843817056 747902383 /nfs/dbraw/zinc/90/23/83/747902383.db2.gz DRDULFMEGGNHCM-UHFFFAOYSA-N 0 0 361.442 2.914 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2nn(C)cc2Br)cc1 ZINC000844401848 748021779 /nfs/dbraw/zinc/02/17/79/748021779.db2.gz NTIXEXATZHMXJI-UHFFFAOYSA-N 0 0 367.291 2.759 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000845066209 748172374 /nfs/dbraw/zinc/17/23/74/748172374.db2.gz VHXWWBVPJCFRNS-CJNGLKHVSA-N 0 0 356.875 2.900 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCCc2scnc2C)cc1 ZINC000845233499 748209078 /nfs/dbraw/zinc/20/90/78/748209078.db2.gz RRXCHVHAHVTILU-UHFFFAOYSA-N 0 0 362.499 2.780 20 10 FFCDRN CSc1ccnc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000845471251 748265214 /nfs/dbraw/zinc/26/52/14/748265214.db2.gz GURDVYJRSIEGOS-AWEZNQCLSA-N 0 0 357.483 2.512 20 10 FFCDRN CO[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000845479189 748266990 /nfs/dbraw/zinc/26/69/90/748266990.db2.gz HXCGIANTZPOFMV-TZMCWYRMSA-N 0 0 357.248 2.912 20 10 FFCDRN CSCC1(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000845673876 748303311 /nfs/dbraw/zinc/30/33/11/748303311.db2.gz VXKYVDOYDKSEAO-UHFFFAOYSA-N 0 0 366.502 2.936 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)c2ccc(Cl)nc2)cc1 ZINC000845986844 748375443 /nfs/dbraw/zinc/37/54/43/748375443.db2.gz ATIZWMNSDYUFKN-UHFFFAOYSA-N 0 0 369.874 2.501 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1N(C)C ZINC000845996710 748378651 /nfs/dbraw/zinc/37/86/51/748378651.db2.gz RULNSOLCSURQBC-UHFFFAOYSA-N 0 0 354.859 2.899 20 10 FFCDRN CC(C)(C)c1cc(CS(=O)(=O)NCc2cc(Cl)ccc2O)no1 ZINC000845997004 748378677 /nfs/dbraw/zinc/37/86/77/748378677.db2.gz VMNALCIXPVPJCT-UHFFFAOYSA-N 0 0 358.847 2.951 20 10 FFCDRN COC(=O)[C@H](NCc1cc(Cl)cc(OC)c1O)[C@@H]1CCC[C@H](OC)C1 ZINC000846108582 748409098 /nfs/dbraw/zinc/40/90/98/748409098.db2.gz PCWKDDUMVRPTBC-DIOULYMOSA-N 0 0 371.861 2.891 20 10 FFCDRN CC[C@@H]([NH2+][C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000846186130 748425812 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COc1ccc(N2CC[C@@H](CNC(=O)N3CC4(CC4(F)F)C3)C2)cc1 ZINC000847387737 748690712 /nfs/dbraw/zinc/69/07/12/748690712.db2.gz SZKGXGHJXVXGSW-ZDUSSCGKSA-N 0 0 351.397 2.572 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CC[C@H]3C(N)=O)cc2Cl)C1 ZINC000848037025 748832424 /nfs/dbraw/zinc/83/24/24/748832424.db2.gz OSMXVSMMMZIBSA-YUELXQCFSA-N 0 0 363.889 2.704 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC[C@@H]3C(N)=O)cc2Cl)C1 ZINC000848037023 748832514 /nfs/dbraw/zinc/83/25/14/748832514.db2.gz OSMXVSMMMZIBSA-VHDGCEQUSA-N 0 0 363.889 2.704 20 10 FFCDRN Cc1cc(C(=O)N2CCn3nncc3C2)c(C)n1-c1cccc(Cl)c1 ZINC000848269611 748889852 /nfs/dbraw/zinc/88/98/52/748889852.db2.gz FORKHGOSHOKCOG-UHFFFAOYSA-N 0 0 355.829 2.995 20 10 FFCDRN Cc1cc(Br)cc(C[NH2+]Cc2nnc([C@@H]3CCCO3)[n-]2)c1O ZINC000848923172 749035972 /nfs/dbraw/zinc/03/59/72/749035972.db2.gz AIDRBVYDCBZUSA-LBPRGKRZSA-N 0 0 367.247 2.723 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)CCc1ccc(F)cc1 ZINC000849374815 749118387 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COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCCC2)c1 ZINC000850532219 749382741 /nfs/dbraw/zinc/38/27/41/749382741.db2.gz RSMYLGGQHXNVAB-ZDUSSCGKSA-N 0 0 369.483 2.577 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3cccc(N)c3Cl)CC2)cc1 ZINC000851629584 749636120 /nfs/dbraw/zinc/63/61/20/749636120.db2.gz QBBTYSAHEPLQBM-UHFFFAOYSA-N 0 0 359.857 2.822 20 10 FFCDRN CCN(CC1=NS(=O)(=O)c2ccccc21)c1ccc(OC)c(OC)c1 ZINC000851829483 749692477 /nfs/dbraw/zinc/69/24/77/749692477.db2.gz YBTRQFARQFJSJP-UHFFFAOYSA-N 0 0 360.435 2.722 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCc3nc(C)cs3)C2)cc1 ZINC000851949524 749733969 /nfs/dbraw/zinc/73/39/69/749733969.db2.gz SVGAAWOIGZVGDU-CQSZACIVSA-N 0 0 360.483 2.581 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCCSC(F)(F)F)C2)cc1 ZINC000851984002 749742937 /nfs/dbraw/zinc/74/29/37/749742937.db2.gz OQVPVHIDCHOZDC-NSHDSACASA-N 0 0 363.405 2.826 20 10 FFCDRN CC1(C)OCC[C@@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000851991205 749745443 /nfs/dbraw/zinc/74/54/43/749745443.db2.gz IWARIWLSHGKBSW-MRXNPFEDSA-N 0 0 363.527 2.854 20 10 FFCDRN CCN(C)c1ccc(CN2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)cc1 ZINC000852340683 749839227 /nfs/dbraw/zinc/83/92/27/749839227.db2.gz PRILRYOVXDSEKC-GJZGRUSLSA-N 0 0 364.433 2.550 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC(F)(F)C(F)(F)C3)C2)cc1 ZINC000852449148 749861545 /nfs/dbraw/zinc/86/15/45/749861545.db2.gz QAQCAESBGNBWOG-NSHDSACASA-N 0 0 361.339 2.570 20 10 FFCDRN CCOC(=O)[C@@]1(C)CCC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000852694364 749927700 /nfs/dbraw/zinc/92/77/00/749927700.db2.gz ROTNFGMFVAACDD-PBHICJAKSA-N 0 0 354.834 2.967 20 10 FFCDRN OC1CCN(c2ccc(CNc3ccncc3Br)cc2)CC1 ZINC000853955870 750209119 /nfs/dbraw/zinc/20/91/19/750209119.db2.gz ZUOGMBGYDSHBDV-UHFFFAOYSA-N 0 0 362.271 2.839 20 10 FFCDRN Nc1ccc(Cc2noc([C@H](C[C@H]3COCCO3)C(F)(F)F)n2)cc1 ZINC000854133770 750246565 /nfs/dbraw/zinc/24/65/65/750246565.db2.gz JQLRABIMVYWWJE-STQMWFEESA-N 0 0 357.332 2.694 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C[C@@H]3CCC(=O)N3)cc2Cl)C1 ZINC000854344882 750288752 /nfs/dbraw/zinc/28/87/52/750288752.db2.gz RPPYYKRSMHHELX-ZFWWWQNUSA-N 0 0 363.889 2.861 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@H]1CCCN(CC(F)(F)F)C1 ZINC000854653441 750345833 /nfs/dbraw/zinc/34/58/33/750345833.db2.gz MLDNBJINOQEVRW-RYWCDNDXSA-N 0 0 358.360 2.502 20 10 FFCDRN CC(C)C(=O)N1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000048797084 845179522 /nfs/dbraw/zinc/17/95/22/845179522.db2.gz GEOQVUSHOJPZFR-UHFFFAOYSA-N 0 0 355.276 2.891 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000058507597 845398545 /nfs/dbraw/zinc/39/85/45/845398545.db2.gz SYZHXCSZASMUDA-UHFFFAOYSA-N 0 0 367.402 2.587 20 10 FFCDRN CCC[C@@H](CCO)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000073744951 845572352 /nfs/dbraw/zinc/57/23/52/845572352.db2.gz HMAIZRVWPGNZHQ-INIZCTEOSA-N 0 0 365.543 2.838 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(F)cc1[O-] ZINC000397412213 845867544 /nfs/dbraw/zinc/86/75/44/845867544.db2.gz VEEYRJOZMGFIFV-TZMCWYRMSA-N 0 0 354.422 2.818 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1CCCC[C@H]1F ZINC000840260203 970863512 /nfs/dbraw/zinc/86/35/12/970863512.db2.gz FDROFOQBYBFSRI-NVXWUHKLSA-N 0 0 367.440 2.867 20 10 FFCDRN CN(OCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000181688614 970952668 /nfs/dbraw/zinc/95/26/68/970952668.db2.gz ZNACMBLSTHJUFR-UHFFFAOYSA-N 0 0 373.428 2.936 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2ccncn2)cc1 ZINC000181926761 970976031 /nfs/dbraw/zinc/97/60/31/970976031.db2.gz OARWNOBWXJRADY-OSICKASQSA-N 0 0 366.465 2.764 20 10 FFCDRN COc1cc(N(C)Cc2ccc(-c3nn[nH]n3)cc2F)cc(OC)c1OC ZINC000737054669 944939729 /nfs/dbraw/zinc/93/97/29/944939729.db2.gz UHAPMHXEHOJRJK-UHFFFAOYSA-N 0 0 373.388 2.668 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2C[C@@H]3COC[C@]3(c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000896221623 971344376 /nfs/dbraw/zinc/34/43/76/971344376.db2.gz CFQFLQFRMBCYID-UZLBHIALSA-N 0 0 370.405 2.709 20 10 FFCDRN CCN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C(C)(C)C1=O ZINC000186446918 971365246 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Cc1cc(C(=O)NCCn2cc([N+](=O)[O-])cn2)c(C)n1-c1cccc(C)c1 ZINC000164454014 984368806 /nfs/dbraw/zinc/36/88/06/984368806.db2.gz PFTUUICGILOXDM-UHFFFAOYSA-N 0 0 367.409 2.937 20 10 FFCDRN CCOC(=O)C1=CC[C@H]([NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])C1 ZINC001596565018 984449119 /nfs/dbraw/zinc/44/91/19/984449119.db2.gz KORUWASPZKLPAZ-ZDUSSCGKSA-N 0 0 360.385 2.757 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(F)cn1)c1ccc(N2CCOCC2)cc1 ZINC000764356162 984449320 /nfs/dbraw/zinc/44/93/20/984449320.db2.gz DYZWJNZFSGLZLV-AWEZNQCLSA-N 0 0 358.417 2.618 20 10 FFCDRN COc1ccc(-n2ccc(CNC(=O)N(C)Cc3ccccc3O)n2)cc1 ZINC000056822133 984463868 /nfs/dbraw/zinc/46/38/68/984463868.db2.gz NVVSWNKZNUECAN-UHFFFAOYSA-N 0 0 366.421 2.928 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCc3cccc(C)n3)CC2)cc1 ZINC000056914416 984469322 /nfs/dbraw/zinc/46/93/22/984469322.db2.gz DWQATCDKCRVSDH-UHFFFAOYSA-N 0 0 354.454 2.821 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=S)NCc2ccon2)cc1 ZINC000764451646 984500381 /nfs/dbraw/zinc/50/03/81/984500381.db2.gz GZEPCCMCWWIYMO-GOSISDBHSA-N 0 0 374.510 2.796 20 10 FFCDRN CN(C)c1ccc(CN2C(=O)N[C@H](Cc3c[nH]c4ccccc34)C2=O)cc1 ZINC000760949295 984593158 /nfs/dbraw/zinc/59/31/58/984593158.db2.gz LXUOSAKFADSOMX-LJQANCHMSA-N 0 0 362.433 2.897 20 10 FFCDRN COc1ccc(OCCNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000058556194 984615892 /nfs/dbraw/zinc/61/58/92/984615892.db2.gz KIFZFYOKYJDPQH-UHFFFAOYSA-N 0 0 361.417 2.779 20 10 FFCDRN Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1CC(C)C ZINC000158254072 984817319 /nfs/dbraw/zinc/81/73/19/984817319.db2.gz RYYFEWBKVVFWQJ-UHFFFAOYSA-N 0 0 370.497 2.956 20 10 FFCDRN COc1ccc([C@@H]2NC(=O)N(Cc3ccc(N(C)C)c(F)c3)C2=O)cc1 ZINC000761184201 984880293 /nfs/dbraw/zinc/88/02/93/984880293.db2.gz VFPKIPNYUKAEKV-KRWDZBQOSA-N 0 0 357.385 2.693 20 10 FFCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cccc2c1OCCO2 ZINC000170661466 985108625 /nfs/dbraw/zinc/10/86/25/985108625.db2.gz ODKKFOAATNLVIE-UHFFFAOYSA-N 0 0 374.462 2.537 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Nc3cccnc3OC)CC2)cc1 ZINC000171057469 985209909 /nfs/dbraw/zinc/20/99/09/985209909.db2.gz DXLHBGJIBJIZQP-UHFFFAOYSA-N 0 0 356.426 2.889 20 10 FFCDRN Cc1cc(N(C)C)ccc1CN1C(=O)N[C@@H](c2ccc3c(c2)CCO3)C1=O ZINC000761353341 985216207 /nfs/dbraw/zinc/21/62/07/985216207.db2.gz GXDVJIXESZHZCO-IBGZPJMESA-N 0 0 365.433 2.789 20 10 FFCDRN CCO[C@@H]1C[C@@]2(NC(=O)N(Cc3ccc(N(C)C)cc3C)C2=O)C1(C)C ZINC000761357998 985224366 /nfs/dbraw/zinc/22/43/66/985224366.db2.gz RSMOMNQGSOUPQN-UZLBHIALSA-N 0 0 359.470 2.687 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cnn(-c2ccc(F)cc2)n1 ZINC000172336326 985514908 /nfs/dbraw/zinc/51/49/08/985514908.db2.gz TUGPVOSHOWMIEF-UHFFFAOYSA-N 0 0 365.412 2.937 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)CCc3ccccc3)C2)cc1 ZINC000062575225 985545936 /nfs/dbraw/zinc/54/59/36/985545936.db2.gz OUEDBFKAHHHBMG-SFHVURJKSA-N 0 0 374.506 2.684 20 10 FFCDRN Cc1c(F)cccc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000173184346 985773341 /nfs/dbraw/zinc/77/33/41/985773341.db2.gz NFHHKJYPAAYQBY-UHFFFAOYSA-N 0 0 353.397 2.765 20 10 FFCDRN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 ZINC000173257493 985786128 /nfs/dbraw/zinc/78/61/28/985786128.db2.gz XFZNOLIPLAJXMY-BEFAXECRSA-N 0 0 366.465 2.746 20 10 FFCDRN CCO[C@@H]1C[C@@]2(NC(=O)N(Cc3ccc(N4CC=CC4)cc3)C2=O)C1(C)C ZINC000761381187 985891014 /nfs/dbraw/zinc/89/10/14/985891014.db2.gz ZIAILQRMJULSAT-UTKZUKDTSA-N 0 0 369.465 2.688 20 10 FFCDRN CNC(=O)[C@@H](C)CN(C)CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000176380018 986868667 /nfs/dbraw/zinc/86/86/67/986868667.db2.gz LNXKXVBGIDNFLD-ZDUSSCGKSA-N 0 0 359.445 2.730 20 10 FFCDRN O=C(NCc1c(O)cccc1F)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000913960542 987068428 /nfs/dbraw/zinc/06/84/28/987068428.db2.gz GVAIRAOWUZUGDL-UHFFFAOYSA-N 0 0 371.412 2.635 20 10 FFCDRN O=C(NCc1c(O)cccc1F)N[C@H](CN1CCCC1=O)c1ccccc1 ZINC000914081116 987172803 /nfs/dbraw/zinc/17/28/03/987172803.db2.gz PVBBYZIHKUGWRY-QGZVFWFLSA-N 0 0 371.412 2.694 20 10 FFCDRN COc1ccc([C@H]2NC(=O)N([C@H](C)c3ccc(N(C)C)cc3)C2=O)cc1O ZINC000761573424 987315492 /nfs/dbraw/zinc/31/54/92/987315492.db2.gz CQDKKHSKYXGSKH-KZULUSFZSA-N 0 0 369.421 2.821 20 10 FFCDRN Cc1nc(-c2ccc(C)c(NC(=O)NCCc3ccc(O)c(O)c3)c2)n[nH]1 ZINC000761658382 987677302 /nfs/dbraw/zinc/67/73/02/987677302.db2.gz WDNPIWZXRFDSIR-UHFFFAOYSA-N 0 0 367.409 2.864 20 10 FFCDRN CC(C)CN1C[C@@H](C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1=O ZINC000914608733 987815899 /nfs/dbraw/zinc/81/58/99/987815899.db2.gz RGUUUICOEGACHW-SFHVURJKSA-N 0 0 359.514 2.994 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1ccccc1C=O ZINC001212201341 987869999 /nfs/dbraw/zinc/86/99/99/987869999.db2.gz AKMRPOFJUJAMPI-HNNXBMFYSA-N 0 0 360.479 2.783 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000153356537 987908517 /nfs/dbraw/zinc/90/85/17/987908517.db2.gz QUOAGEAWQNTWPB-SFHVURJKSA-N 0 0 367.449 2.753 20 10 FFCDRN COCCN(CC(=O)NCc1ccccc1C)c1ccc(OC)c(OC)c1 ZINC000174799669 987934700 /nfs/dbraw/zinc/93/47/00/987934700.db2.gz FIGZYWKNYWDLQX-UHFFFAOYSA-N 0 0 372.465 2.781 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@H](C)N3CCOCC3)c2C)cc1 ZINC000914879867 988025664 /nfs/dbraw/zinc/02/56/64/988025664.db2.gz VAAFOVXBSDXRHT-INIZCTEOSA-N 0 0 371.481 2.553 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3c(C)cccc3C)CC2)cc1 ZINC000762110281 988122464 /nfs/dbraw/zinc/12/24/64/988122464.db2.gz ISHGBVFZPQWFLP-UHFFFAOYSA-N 0 0 367.493 2.864 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc(Nc2ncccn2)c1 ZINC000762275525 988268915 /nfs/dbraw/zinc/26/89/15/988268915.db2.gz SPDRGJGAMXHQHB-UHFFFAOYSA-N 0 0 350.378 2.604 20 10 FFCDRN Cc1noc(C)c1CO[C@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C1 ZINC000762789387 988628355 /nfs/dbraw/zinc/62/83/55/988628355.db2.gz UGMLJPCRTQTUSL-VOKGJARPSA-N 0 0 358.394 2.534 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(CCO)CC(F)F)CCCC1 ZINC000651952818 1015413456 /nfs/dbraw/zinc/41/34/56/1015413456.db2.gz DGADFUVDGHQBRN-UHFFFAOYSA-N 0 0 366.408 2.615 20 10 FFCDRN Cc1cc(CCNC(=O)CN(C)C(=O)C2CC2)c(C)n1-c1ccccc1 ZINC000915686410 988851246 /nfs/dbraw/zinc/85/12/46/988851246.db2.gz WGRCGTAXTWKFAO-UHFFFAOYSA-N 0 0 353.466 2.621 20 10 FFCDRN CC(C)c1nnc([C@H](C)NC(=O)NCc2ccc3c(c2)CCCN3C)[nH]1 ZINC000763021627 988974932 /nfs/dbraw/zinc/97/49/32/988974932.db2.gz MWOSCNBXGLKDIK-ZDUSSCGKSA-N 0 0 356.474 2.871 20 10 FFCDRN COCC1(CCNC(=O)NC2CCN(c3ccc(OC)cc3)CC2)CC1 ZINC000826104852 1015471095 /nfs/dbraw/zinc/47/10/95/1015471095.db2.gz HVPYNRVKFIYVHD-UHFFFAOYSA-N 0 0 361.486 2.780 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc(C4OCCO4)c3)CC2)cc1 ZINC000763306283 989666572 /nfs/dbraw/zinc/66/65/72/989666572.db2.gz SQMJOXMRYLCXCZ-UHFFFAOYSA-N 0 0 368.433 2.703 20 10 FFCDRN CCCN(C(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000826105508 1015500172 /nfs/dbraw/zinc/50/01/72/1015500172.db2.gz YQLYQSLBCJKINV-LJQANCHMSA-N 0 0 374.529 2.790 20 10 FFCDRN O=C(COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc(O)c(O)c1 ZINC000916614344 989840969 /nfs/dbraw/zinc/84/09/69/989840969.db2.gz GIIBKBIGUZFQOU-UHFFFAOYSA-N 0 0 372.333 2.620 20 10 FFCDRN COc1nc(NCc2cc(Cl)c3cccnc3c2O)nc2nc[nH]c21 ZINC001168522983 990157976 /nfs/dbraw/zinc/15/79/76/990157976.db2.gz XNFHDGYQZOFQEA-UHFFFAOYSA-N 0 0 356.773 2.881 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CC[C@H](C4OCCO4)C3)cc2)CC1 ZINC000917521839 990232496 /nfs/dbraw/zinc/23/24/96/990232496.db2.gz BGBVNBUKZYWNKZ-SFHVURJKSA-N 0 0 373.497 2.827 20 10 FFCDRN COc1ccc(N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)c(OC)c1 ZINC000879463397 1015548670 /nfs/dbraw/zinc/54/86/70/1015548670.db2.gz FYLGSMSGYINECO-ZDUSSCGKSA-N 0 0 358.442 2.847 20 10 FFCDRN CC(C)CCCNC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000918006427 990316234 /nfs/dbraw/zinc/31/62/34/990316234.db2.gz RDYJWMXYHKJKLF-QGZVFWFLSA-N 0 0 360.502 2.624 20 10 FFCDRN COC(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000918051722 990322652 /nfs/dbraw/zinc/32/26/52/990322652.db2.gz AGZGDQCRWUCUQK-UHFFFAOYSA-N 0 0 353.422 2.739 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OCC(=O)OC)cc1 ZINC000918299543 990369722 /nfs/dbraw/zinc/36/97/22/990369722.db2.gz PNVAAQDOWWLTBE-UHFFFAOYSA-N 0 0 370.449 2.967 20 10 FFCDRN CCc1n[nH]cc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000918632679 990453913 /nfs/dbraw/zinc/45/39/13/990453913.db2.gz BNWNKGQQDCLRHN-BETUJISGSA-N 0 0 360.433 2.655 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc2c(c1)ncn2C ZINC000919073249 990566155 /nfs/dbraw/zinc/56/61/55/990566155.db2.gz VMTABSZKKYTNBA-UHFFFAOYSA-N 0 0 351.454 2.947 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1cccnc1 ZINC000919790465 990731393 /nfs/dbraw/zinc/73/13/93/990731393.db2.gz INPDVOAKBBODCT-HXUWFJFHSA-N 0 0 366.465 2.965 20 10 FFCDRN Cc1cc(CCNC(=O)NCc2cnn(C)c2)c(C)n1-c1ccccc1 ZINC000919792808 990732667 /nfs/dbraw/zinc/73/26/67/990732667.db2.gz IEEJQVMTRDVHGJ-UHFFFAOYSA-N 0 0 351.454 2.870 20 10 FFCDRN COc1ccc(CNCc2nc3c(s2)COCC3)cc1Cn1cccn1 ZINC000922961113 990770641 /nfs/dbraw/zinc/77/06/41/990770641.db2.gz YDUNUBDAUUALEJ-UHFFFAOYSA-N 0 0 370.478 2.759 20 10 FFCDRN COc1cccc(O)c1CNc1cccc(CN2CCN(C(C)=O)CC2)c1 ZINC000780556806 991172581 /nfs/dbraw/zinc/17/25/81/991172581.db2.gz RCTMYTGRWRDCAN-UHFFFAOYSA-N 0 0 369.465 2.677 20 10 FFCDRN Cc1cc(C(=O)COC(=O)CC2(O)CCOCC2)c(C)n1-c1ccccc1 ZINC000923547889 991233615 /nfs/dbraw/zinc/23/36/15/991233615.db2.gz XRRYFNBSRWQXPV-UHFFFAOYSA-N 0 0 371.433 2.752 20 10 FFCDRN COc1cc2c(cc1OC)CN(C(=O)C[NH2+][C@H](C)c1ccccc1O)CC2 ZINC000879647574 1015623782 /nfs/dbraw/zinc/62/37/82/1015623782.db2.gz FBFQPBKLVPRKOP-CQSZACIVSA-N 0 0 370.449 2.645 20 10 FFCDRN CN(C)c1ccc(/C=C\CN(CCC(=O)[O-])CC(=O)OC(C)(C)C)cc1 ZINC001598314278 991294937 /nfs/dbraw/zinc/29/49/37/991294937.db2.gz LHRCDJMTPNZPCT-SREVYHEPSA-N 0 0 362.470 2.884 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1OC ZINC000067984691 991295344 /nfs/dbraw/zinc/29/53/44/991295344.db2.gz QSSZFCCKCUQZIL-NVXWUHKLSA-N 0 0 364.486 2.852 20 10 FFCDRN CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cc1 ZINC001598314398 991297192 /nfs/dbraw/zinc/29/71/92/991297192.db2.gz QYNABGVMUAUYNP-IXWARAEBSA-N 0 0 358.482 2.848 20 10 FFCDRN CCCCNC(=O)OC[C@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000804231391 991338806 /nfs/dbraw/zinc/33/88/06/991338806.db2.gz PDRSAVUTEJZXBG-CQSZACIVSA-N 0 0 364.442 2.927 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 ZINC000068479116 991443817 /nfs/dbraw/zinc/44/38/17/991443817.db2.gz OZKQCHCWOPRCQQ-INIZCTEOSA-N 0 0 364.449 2.955 20 10 FFCDRN COc1cccc(CNC(=O)c2ccn(-c3cc(C)ccc3OC)n2)c1O ZINC000068489402 991449873 /nfs/dbraw/zinc/44/98/73/991449873.db2.gz LWUIKPSRBJIJFW-UHFFFAOYSA-N 0 0 367.405 2.834 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCc2nc(C(C)C)no2)c1 ZINC000170881363 991460229 /nfs/dbraw/zinc/46/02/29/991460229.db2.gz QJOWSQNGBYOOSQ-LBPRGKRZSA-N 0 0 362.430 2.900 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)c1cccc(F)c1 ZINC000069110223 991583291 /nfs/dbraw/zinc/58/32/91/991583291.db2.gz HAXIMAFWPWNTBI-IBGZPJMESA-N 0 0 357.429 2.959 20 10 FFCDRN COc1nc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)ccc1C ZINC001599729983 991696147 /nfs/dbraw/zinc/69/61/47/991696147.db2.gz IAHPEIXMINEBSM-UHFFFAOYSA-N 0 0 350.802 2.844 20 10 FFCDRN CCC[C@@H]1C[C@H]1C(=O)NCCC1=CCN(c2cc(C)nc3ncnn32)CC1 ZINC001089859064 991988993 /nfs/dbraw/zinc/98/89/93/991988993.db2.gz HRUUUKUOFJRSKP-IAGOWNOFSA-N 0 0 368.485 2.512 20 10 FFCDRN Cc1nnc(-c2cccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2)o1 ZINC000183441541 992447057 /nfs/dbraw/zinc/44/70/57/992447057.db2.gz PUHTXQVCCVAKKD-LLVKDONJSA-N 0 0 353.378 2.817 20 10 FFCDRN CCOc1cc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]3C3CCC3)CC2)ncn1 ZINC001089867118 992683547 /nfs/dbraw/zinc/68/35/47/992683547.db2.gz BILOZKSEBNRJPT-ZWKOTPCHSA-N 0 0 370.497 2.954 20 10 FFCDRN CCOc1cc(N2CC=C(CCNC(=O)[C@]34C[C@H]3CCC4)CC2)ncn1 ZINC001089871378 992817933 /nfs/dbraw/zinc/81/79/33/992817933.db2.gz RQCXOJVQNKWKIM-OXQOHEQNSA-N 0 0 356.470 2.708 20 10 FFCDRN CC[C@@H]1OCC[C@H]1C(=O)NCCC1=CCN(c2cncc(Cl)n2)CC1 ZINC001089871651 992839207 /nfs/dbraw/zinc/83/92/07/992839207.db2.gz CRBYCYQVQJOPFI-CABCVRRESA-N 0 0 364.877 2.588 20 10 FFCDRN C[C@@H](NC(=O)Nc1cncc(N(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000880362023 1015815006 /nfs/dbraw/zinc/81/50/06/1015815006.db2.gz FUBVXIQPLDCIJJ-OAHLLOKOSA-N 0 0 369.469 2.867 20 10 FFCDRN C[NH+]1CCN(c2ccc(C=C(C(=O)[O-])c3ccc4cc[nH]c4n3)cc2)CC1 ZINC001598622612 994029148 /nfs/dbraw/zinc/02/91/48/994029148.db2.gz SZUGGTIPUREKER-NBVRZTHBSA-N 0 0 362.433 2.940 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1oc2ccccc2c1CSc1ncccn1 ZINC000808508597 994144963 /nfs/dbraw/zinc/14/49/63/994144963.db2.gz JCJXODILVRUUBV-UHFFFAOYSA-N 0 0 370.386 2.830 20 10 FFCDRN C[C@@H]1CS(=O)(=O)CCN1Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000809578927 994542875 /nfs/dbraw/zinc/54/28/75/994542875.db2.gz SEBHXSNWVAYUKU-QGZVFWFLSA-N 0 0 370.518 2.868 20 10 FFCDRN Cc1cccc(CN2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)c1O ZINC000809769635 994596810 /nfs/dbraw/zinc/59/68/10/994596810.db2.gz IVCYFDSUMLGSMP-IAGOWNOFSA-N 0 0 352.434 2.710 20 10 FFCDRN Fc1ccc(N2CCN(Cc3ccc(N4CCOCC4)c(F)c3)CC2)nc1 ZINC000809748730 994603099 /nfs/dbraw/zinc/60/30/99/994603099.db2.gz CBHRNYYVJXLVAD-UHFFFAOYSA-N 0 0 374.435 2.519 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc(N(C)C)c3)CC2)c(OC)c1 ZINC001132031896 994686383 /nfs/dbraw/zinc/68/63/83/994686383.db2.gz BDZDRVDISZXKLB-UHFFFAOYSA-N 0 0 369.465 2.732 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CC[C@@H](C4CC4)O3)CC2)c(OC)c1 ZINC001132031974 994687323 /nfs/dbraw/zinc/68/73/23/994687323.db2.gz DYPQZTPZPWAFOA-HKUYNNGSSA-N 0 0 374.481 2.700 20 10 FFCDRN COC(=O)Cc1occc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000810247974 994743229 /nfs/dbraw/zinc/74/32/29/994743229.db2.gz YVEQJWXMCNNMHU-UHFFFAOYSA-N 0 0 356.422 2.915 20 10 FFCDRN C[C@H](NC(=O)Nc1ccc(C(=O)N(C)C)cn1)c1ccc(N(C)C)cc1 ZINC000880605107 1015890888 /nfs/dbraw/zinc/89/08/88/1015890888.db2.gz LDUOXNYFVKLBHV-ZDUSSCGKSA-N 0 0 355.442 2.732 20 10 FFCDRN Oc1ccc(CCNc2nc3ccccc3nc2N2CCOCC2)cc1O ZINC000811811264 995260260 /nfs/dbraw/zinc/26/02/60/995260260.db2.gz QDQFZFFCLNFAJA-UHFFFAOYSA-N 0 0 366.421 2.532 20 10 FFCDRN COCCC1(C)CN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000812014100 995310794 /nfs/dbraw/zinc/31/07/94/995310794.db2.gz GKUXEXBCBMTHID-INIZCTEOSA-N 0 0 361.486 2.652 20 10 FFCDRN CCOCCCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC000812200077 995377056 /nfs/dbraw/zinc/37/70/56/995377056.db2.gz OCDXEYAPMDDHOF-INIZCTEOSA-N 0 0 360.458 2.551 20 10 FFCDRN Cn1nc2c(c1CNC(=O)NCc1ccc3c(c1)CCCN3C)CCCC2 ZINC000812928267 995580079 /nfs/dbraw/zinc/58/00/79/995580079.db2.gz OOIZMXRWGLXGDE-UHFFFAOYSA-N 0 0 367.497 2.681 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2cccc(C3CCC3)c2)c(O)c1 ZINC000812991513 995592709 /nfs/dbraw/zinc/59/27/09/995592709.db2.gz QHCWPKJFWRRAIW-UHFFFAOYSA-N 0 0 354.406 2.923 20 10 FFCDRN CC[C@@H]1NC(=O)N(CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1=O ZINC000747836805 995613337 /nfs/dbraw/zinc/61/33/37/995613337.db2.gz DMCYPJYDHDWDRV-KRWDZBQOSA-N 0 0 353.422 2.916 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cccc2nsnc21 ZINC000880750114 1015964003 /nfs/dbraw/zinc/96/40/03/1015964003.db2.gz FUUYUUREEWNUDP-UHFFFAOYSA-N 0 0 368.462 2.582 20 10 FFCDRN CC1(C)CC[C@H](CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)OC1 ZINC000880749919 1015964154 /nfs/dbraw/zinc/96/41/54/1015964154.db2.gz BHXMELIYKLIIDW-LJQANCHMSA-N 0 0 360.498 2.859 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCCCCC(=O)C1 ZINC000813416012 995685760 /nfs/dbraw/zinc/68/57/60/995685760.db2.gz IEZAYPIWXGZCLD-INIZCTEOSA-N 0 0 362.445 2.818 20 10 FFCDRN COCCN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1ccccc1 ZINC000727238448 995733618 /nfs/dbraw/zinc/73/36/18/995733618.db2.gz UNTVPHSJISMZFD-UHFFFAOYSA-N 0 0 369.509 2.860 20 10 FFCDRN C[C@@H](NC(=O)N[C@H](CO)CC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000128693114 1016032011 /nfs/dbraw/zinc/03/20/11/1016032011.db2.gz PGKBSZGKTQHVSA-WBVHZDCISA-N 0 0 363.502 2.681 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)NCc2ccccc2O)C1 ZINC000730126479 996857826 /nfs/dbraw/zinc/85/78/26/996857826.db2.gz YZOROCXZJNIHCS-CQSZACIVSA-N 0 0 363.458 2.839 20 10 FFCDRN C[C@H]1CCC[C@H](N(C)C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000803685416 1016070295 /nfs/dbraw/zinc/07/02/95/1016070295.db2.gz GMWPLZNNCXZIMV-YJBOKZPZSA-N 0 0 357.498 2.722 20 10 FFCDRN CCC1(CNC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCCC1 ZINC000803687199 1016071237 /nfs/dbraw/zinc/07/12/37/1016071237.db2.gz XJPZCHLUMBFLPK-UHFFFAOYSA-N 0 0 357.498 2.772 20 10 FFCDRN C[C@H]1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC12CCC2 ZINC000803687125 1016071967 /nfs/dbraw/zinc/07/19/67/1016071967.db2.gz VIEXOVXIIDLBTM-INIZCTEOSA-N 0 0 369.509 2.724 20 10 FFCDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000803686487 1016072041 /nfs/dbraw/zinc/07/20/41/1016072041.db2.gz LNSGYKYORAHLAE-CRAIPNDOSA-N 0 0 357.498 2.770 20 10 FFCDRN C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)n1cc(COc2ccc(N)cc2)nn1 ZINC000881014570 1016080114 /nfs/dbraw/zinc/08/01/14/1016080114.db2.gz PLYSKFSNUGLFGB-ZNMIVQPWSA-N 0 0 357.458 2.505 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CSC(c3ccccc3O)=N2)cc1F ZINC000824669364 997042998 /nfs/dbraw/zinc/04/29/98/997042998.db2.gz JYSPYWAHXWBVMB-OAHLLOKOSA-N 0 0 373.453 2.776 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C[C@@H](C)OC)C(C)C)C2)cc1 ZINC000824695032 997059254 /nfs/dbraw/zinc/05/92/54/997059254.db2.gz UMNQFNXQURXKQA-IAGOWNOFSA-N 0 0 363.502 2.976 20 10 FFCDRN O=C(NCc1ccccc1O)Nc1ccc(CN2C(=O)CSC2=O)cc1 ZINC000730381701 997128531 /nfs/dbraw/zinc/12/85/31/997128531.db2.gz MSYSMZTXQYJYCD-UHFFFAOYSA-N 0 0 371.418 2.909 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CC[C@@H](c3ccccc3F)C2)cc1 ZINC000730432899 997191651 /nfs/dbraw/zinc/19/16/51/997191651.db2.gz VIOAZYICNQAJBG-QGZVFWFLSA-N 0 0 355.457 2.997 20 10 FFCDRN CNC(=O)N(C)c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000881063246 1016110849 /nfs/dbraw/zinc/11/08/49/1016110849.db2.gz WNUSGZBTNCCGFV-UHFFFAOYSA-N 0 0 355.442 2.850 20 10 FFCDRN COc1cc(C[N@@H+]2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c(O)c(C(C)(C)C)c1 ZINC001599407498 997351136 /nfs/dbraw/zinc/35/11/36/997351136.db2.gz MIFCBZLGYMAUQO-IBGZPJMESA-N 0 0 362.426 2.504 20 10 FFCDRN Cc1cccn2c(NC(=O)NCc3ccc(N4CCOCC4)cc3)cnc12 ZINC000825451680 997381867 /nfs/dbraw/zinc/38/18/67/997381867.db2.gz XPTZREMQXALBHN-UHFFFAOYSA-N 0 0 365.437 2.801 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000825461372 997384226 /nfs/dbraw/zinc/38/42/26/997384226.db2.gz UQMJFSIWWITBTI-GOSISDBHSA-N 0 0 357.410 2.743 20 10 FFCDRN COCc1nccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000825504842 997404951 /nfs/dbraw/zinc/40/49/51/997404951.db2.gz KENIYLZJCSYTDR-HNNXBMFYSA-N 0 0 372.425 2.542 20 10 FFCDRN O=C(Cc1cnn2ccccc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000843836281 997438130 /nfs/dbraw/zinc/43/81/30/997438130.db2.gz SMSBXNXSHLCZEU-SFHVURJKSA-N 0 0 365.433 2.790 20 10 FFCDRN C[C@@H]1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)C[C@H]1C(=O)OC(C)(C)C ZINC000843935196 997553498 /nfs/dbraw/zinc/55/34/98/997553498.db2.gz NTNXKEZVDPUIRK-VEXXYJEVSA-N 0 0 361.438 2.937 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCN(C(C)(C)C)C2=O)c(C)n1-c1ccccn1 ZINC000843940350 997559070 /nfs/dbraw/zinc/55/90/70/997559070.db2.gz BBLNNUYPJBGLOB-MRXNPFEDSA-N 0 0 354.454 2.618 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)c3cnc4n3CCOC4)cc2)CC1 ZINC000826861616 1016134003 /nfs/dbraw/zinc/13/40/03/1016134003.db2.gz HKSNSZXBJDRXTC-UHFFFAOYSA-N 0 0 354.454 2.580 20 10 FFCDRN Cc1cc(C(=O)NCCCc2ncn(C)n2)c(C)n1-c1ccc(F)cc1 ZINC000843975159 997579615 /nfs/dbraw/zinc/57/96/15/997579615.db2.gz OKYAVNGUFMMHPO-UHFFFAOYSA-N 0 0 355.417 2.724 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCc4cncn4C3)cc2)CC1 ZINC000844132005 997674043 /nfs/dbraw/zinc/67/40/43/997674043.db2.gz BSFFBDGPUSIIKC-SFHVURJKSA-N 0 0 352.482 2.998 20 10 FFCDRN CC[C@H](F)CN1CC[C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C1 ZINC001084861788 997708206 /nfs/dbraw/zinc/70/82/06/997708206.db2.gz FQEYXAJJNZBNQO-IJEWVQPXSA-N 0 0 361.421 2.743 20 10 FFCDRN Nc1ccc(CC(=O)N2CC[C@H](Oc3ccc(C(F)(F)F)cn3)C2)cc1 ZINC000844205515 997723180 /nfs/dbraw/zinc/72/31/80/997723180.db2.gz ZCIZDHUDHUBDQH-HNNXBMFYSA-N 0 0 365.355 2.905 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2ccccc2N2CCCC2=O)cc1 ZINC000844352871 997821422 /nfs/dbraw/zinc/82/14/22/997821422.db2.gz AUIGWQLEQZYTLT-UHFFFAOYSA-N 0 0 353.422 2.897 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1 ZINC000844352724 997821803 /nfs/dbraw/zinc/82/18/03/997821803.db2.gz DWNCSBKMQMHJQK-UHFFFAOYSA-N 0 0 369.465 2.812 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CNC(=O)C2CCCCC2)cc1F ZINC000731372770 997860993 /nfs/dbraw/zinc/86/09/93/997860993.db2.gz COHQENMTQKKNAL-UHFFFAOYSA-N 0 0 363.477 2.985 20 10 FFCDRN CCOC(=O)c1c(C)onc1CN(C)CCN(C)c1ccc(OC)cc1 ZINC000844400506 997862218 /nfs/dbraw/zinc/86/22/18/997862218.db2.gz DAPRVHIDDBUZEE-UHFFFAOYSA-N 0 0 361.442 2.737 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cc(C(N)=O)ccc2F)cc1 ZINC000844510972 997931503 /nfs/dbraw/zinc/93/15/03/997931503.db2.gz MBWOUOYGXRKYDZ-UHFFFAOYSA-N 0 0 374.416 2.533 20 10 FFCDRN COc1cc(C)cc(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1O ZINC000844712022 998084903 /nfs/dbraw/zinc/08/49/03/998084903.db2.gz MIOWGLSHERPQSH-LJQANCHMSA-N 0 0 366.461 2.915 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cc(C)cc(C(N)=O)c2)cc1 ZINC000844695310 998101218 /nfs/dbraw/zinc/10/12/18/998101218.db2.gz VSOPHBWGCDRDOC-UHFFFAOYSA-N 0 0 370.453 2.703 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc3nccnc3c2)cc1 ZINC000844851596 998195320 /nfs/dbraw/zinc/19/53/20/998195320.db2.gz BLGIULQIDOPQRZ-UHFFFAOYSA-N 0 0 350.422 2.847 20 10 FFCDRN COC(=O)c1ccc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)cc1 ZINC000844852604 998196767 /nfs/dbraw/zinc/19/67/67/998196767.db2.gz SDUHVCOIWJDLFQ-UHFFFAOYSA-N 0 0 356.422 2.690 20 10 FFCDRN COCCOc1ccccc1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000844853852 998198548 /nfs/dbraw/zinc/19/85/48/998198548.db2.gz LYEBXKKXFCHBIX-UHFFFAOYSA-N 0 0 372.465 2.929 20 10 FFCDRN NC(=O)C1(C(=O)OCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)CC1 ZINC000731727417 998204490 /nfs/dbraw/zinc/20/44/90/998204490.db2.gz DTVGMXRNCWKXFO-UHFFFAOYSA-N 0 0 366.377 2.849 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000844902939 998212884 /nfs/dbraw/zinc/21/28/84/998212884.db2.gz YFOWRRKOUWZFBV-UHFFFAOYSA-N 0 0 372.425 2.881 20 10 FFCDRN CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000844927538 998234630 /nfs/dbraw/zinc/23/46/30/998234630.db2.gz PGYDIQQXKWVEHW-VQIMIIECSA-N 0 0 361.486 2.795 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@]1(CO)CCc2ccccc21 ZINC000844987730 998289581 /nfs/dbraw/zinc/28/95/81/998289581.db2.gz CUAFXHUVSZZAKL-JOCHJYFZSA-N 0 0 367.493 2.737 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@@H]2C[C@@H](C)n3ccnc32)cc1 ZINC000845237745 998446935 /nfs/dbraw/zinc/44/69/35/998446935.db2.gz DMGIYDXIRZJKAL-RHSMWYFYSA-N 0 0 357.458 2.675 20 10 FFCDRN COC/C(C)=C\C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000845244169 998450806 /nfs/dbraw/zinc/45/08/06/998450806.db2.gz UVAVSOZCBCKWTI-GHXNOFRVSA-N 0 0 360.385 2.947 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)O[C@@H](C)CNC(C)=O)CCCC1 ZINC000845492298 998563279 /nfs/dbraw/zinc/56/32/79/998563279.db2.gz ACKYSHYTQXSTQM-ZDUSSCGKSA-N 0 0 358.438 2.597 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnc4n3[C@H](C)CCC4)CC2)cc1F ZINC000845748379 998646385 /nfs/dbraw/zinc/64/63/85/998646385.db2.gz PPEKLSVVSKWOLN-CQSZACIVSA-N 0 0 372.444 2.891 20 10 FFCDRN CC[C@H](C)CN(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000732451056 998662834 /nfs/dbraw/zinc/66/28/34/998662834.db2.gz SVXRXZXDNNZXPT-DOTOQJQBSA-N 0 0 360.502 2.576 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)/C=C\c2ccc(C(N)=O)o2)cc1F ZINC000826942713 1016238364 /nfs/dbraw/zinc/23/83/64/1016238364.db2.gz SFMCQBOIYCMEMI-YFHOEESVSA-N 0 0 359.401 2.693 20 10 FFCDRN Cc1cc(CC(=O)NCCc2nncn2C)c(C)n1-c1ccc(Cl)cc1 ZINC000732761699 998764514 /nfs/dbraw/zinc/76/45/14/998764514.db2.gz MNKORQMGORALKF-UHFFFAOYSA-N 0 0 371.872 2.777 20 10 FFCDRN COc1ccc(N2CCC(Nc3ccc(C(=O)N(C)C)cn3)CC2)cc1 ZINC000732920107 998814518 /nfs/dbraw/zinc/81/45/18/998814518.db2.gz MKQPIOKQIHUOOK-UHFFFAOYSA-N 0 0 354.454 2.873 20 10 FFCDRN Cc1cc(C(=O)CN(C)CCN2CCCC2=O)c(C)n1-c1ccc(F)cc1 ZINC000733195022 998907062 /nfs/dbraw/zinc/90/70/62/998907062.db2.gz AXUPCIAERKSXOE-UHFFFAOYSA-N 0 0 371.456 2.970 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H](c2nccn2C)c2ccccc2)c1 ZINC000734064314 999188776 /nfs/dbraw/zinc/18/87/76/999188776.db2.gz DCTHNYBHTWMAHJ-SFHVURJKSA-N 0 0 366.421 2.723 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2nc(C)c3ccccc3n2)c1 ZINC000734069296 999189999 /nfs/dbraw/zinc/18/99/99/999189999.db2.gz OLZLVLPXXWJSIA-UHFFFAOYSA-N 0 0 352.394 2.652 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccccc1N1CCOCC1 ZINC000734405089 999285793 /nfs/dbraw/zinc/28/57/93/999285793.db2.gz SLKQFBWOBNTDMX-UHFFFAOYSA-N 0 0 353.466 2.828 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(Cc2ccco2)CC1 ZINC000734687419 999311810 /nfs/dbraw/zinc/31/18/10/999311810.db2.gz ZVYRDYYQVJCPQC-UHFFFAOYSA-N 0 0 356.470 2.681 20 10 FFCDRN COc1ccccc1[C@H](CO)NC(=O)NCc1ccc(N(C)C)cc1C ZINC000734946872 999368557 /nfs/dbraw/zinc/36/85/57/999368557.db2.gz LGDJXHXIQKENDH-SFHVURJKSA-N 0 0 357.454 2.602 20 10 FFCDRN COC(=O)N(C)Cc1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000735372458 999416046 /nfs/dbraw/zinc/41/60/46/999416046.db2.gz GLBCKWVCBPSXKT-UHFFFAOYSA-N 0 0 373.409 2.921 20 10 FFCDRN CCn1nc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(=O)c2ccccc21 ZINC000735634547 999461462 /nfs/dbraw/zinc/46/14/62/999461462.db2.gz WDMBRFKZRVGTMK-UHFFFAOYSA-N 0 0 368.412 2.552 20 10 FFCDRN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000736067110 999539915 /nfs/dbraw/zinc/53/99/15/999539915.db2.gz FTHZTLQHQMWAGK-YJBOKZPZSA-N 0 0 360.502 2.589 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN[C@H](c2cn[nH]c2)C1 ZINC000828234786 999563172 /nfs/dbraw/zinc/56/31/72/999563172.db2.gz NGJDMXLNPQUQCC-HNNXBMFYSA-N 0 0 355.467 2.665 20 10 FFCDRN COC[C@](C)(O)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000737301332 999598208 /nfs/dbraw/zinc/59/82/08/999598208.db2.gz WWLNVXGSHVOAOR-LJQANCHMSA-N 0 0 370.409 2.554 20 10 FFCDRN Cc1cc(C(=O)CN(C)[C@H]2CCN(C)C2=O)c(C)n1-c1cccc(F)c1 ZINC000738333418 999624144 /nfs/dbraw/zinc/62/41/44/999624144.db2.gz VOQCJAXTGZGYSG-SFHVURJKSA-N 0 0 357.429 2.578 20 10 FFCDRN Cc1cc(CCNC(=O)N[C@H]2CCC(=O)N(C)C2)c(C)n1-c1ccccc1 ZINC000738499298 999628481 /nfs/dbraw/zinc/62/84/81/999628481.db2.gz BKQASIIBLWNAQM-SFHVURJKSA-N 0 0 368.481 2.557 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccnc(N3CCCC3)n2)cc1F ZINC000739721169 999653609 /nfs/dbraw/zinc/65/36/09/999653609.db2.gz AKQHDBHSMGONDR-UHFFFAOYSA-N 0 0 371.460 2.992 20 10 FFCDRN Cc1cc(C(=O)CN(C)C[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000740888621 999690079 /nfs/dbraw/zinc/69/00/79/999690079.db2.gz SANQBVHBHHECMB-QGZVFWFLSA-N 0 0 374.506 2.643 20 10 FFCDRN Cc1cc(C(=O)CN2CCN3C(=O)CC[C@@H]3C2)c(C)n1-c1cccc(F)c1 ZINC000766270715 999720248 /nfs/dbraw/zinc/72/02/48/999720248.db2.gz KZOVAORGHDYQQF-GOSISDBHSA-N 0 0 369.440 2.723 20 10 FFCDRN COc1cc(N(C)C[C@@H](O)COc2ccccc2C)cc(OC)c1OC ZINC000741798758 999744761 /nfs/dbraw/zinc/74/47/61/999744761.db2.gz LLCJVDQTTSHHIU-MRXNPFEDSA-N 0 0 361.438 2.897 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000766277589 999746359 /nfs/dbraw/zinc/74/63/59/999746359.db2.gz DIWLXEXJAUOLFY-QZTJIDSGSA-N 0 0 360.502 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O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(C(F)F)CC1 ZINC000766878435 1000085242 /nfs/dbraw/zinc/08/52/42/1000085242.db2.gz FKVLNTAZZONAAZ-UHFFFAOYSA-N 0 0 371.403 2.849 20 10 FFCDRN CCc1cc(C)c(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)o1 ZINC000767888124 1000155641 /nfs/dbraw/zinc/15/56/41/1000155641.db2.gz OOKIOCUETAAZON-MRXNPFEDSA-N 0 0 369.465 2.782 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCCCC3)c(O)c1 ZINC000845956754 1000184758 /nfs/dbraw/zinc/18/47/58/1000184758.db2.gz MPKSAEPGPIJUJB-UHFFFAOYSA-N 0 0 368.433 2.925 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCC2(C)OCCCO2)CCCC1 ZINC000846007490 1000193358 /nfs/dbraw/zinc/19/33/58/1000193358.db2.gz OALLCXIIQZPDHJ-UHFFFAOYSA-N 0 0 372.465 2.798 20 10 FFCDRN COC(=O)C[C@H](C)c1c(Cl)ncnc1NCc1ccc(O)c(O)c1 ZINC001169991049 1000206373 /nfs/dbraw/zinc/20/63/73/1000206373.db2.gz WZVKMNVHLLFVON-VIFPVBQESA-N 0 0 351.790 2.820 20 10 FFCDRN CC(C)(C)OC(=O)NCCc1ccccc1C(=O)N1CCn2nccc21 ZINC000846100251 1000208186 /nfs/dbraw/zinc/20/81/86/1000208186.db2.gz 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COc1ccc(N(C)CCN(C)C(=O)C(F)(F)C2(O)CCCC2)cc1 ZINC001144868028 1000367811 /nfs/dbraw/zinc/36/78/11/1000367811.db2.gz JOJIPXOVJJATQE-UHFFFAOYSA-N 0 0 356.413 2.530 20 10 FFCDRN Cc1c(C(=O)NCCc2ccc(O)c(O)c2)nnn1-c1ccccc1Cl ZINC000768899196 1000377437 /nfs/dbraw/zinc/37/74/37/1000377437.db2.gz GXJWMTFOOIWGLT-UHFFFAOYSA-N 0 0 372.812 2.613 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)C[C@@H]3CCC[C@H]3C)CC2)cc1 ZINC000768983471 1000399332 /nfs/dbraw/zinc/39/93/32/1000399332.db2.gz JUNNTHIIRXEARL-MSOLQXFVSA-N 0 0 359.514 2.760 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)CNc3cccc(OC)c3)C2)cc1 ZINC000846683058 1000408230 /nfs/dbraw/zinc/40/82/30/1000408230.db2.gz NPZALVHOAUPKOS-INIZCTEOSA-N 0 0 369.465 2.758 20 10 FFCDRN O=C1N[C@@H](C2CCCCCC2)C(=O)N1Cc1ccc(N2CCOCC2)cc1 ZINC000846784497 1000428804 /nfs/dbraw/zinc/42/88/04/1000428804.db2.gz ONAVRZRTDBXHER-IBGZPJMESA-N 0 0 371.481 2.914 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3scc4c3OCCO4)CC2)cc1 ZINC000846829022 1000439036 /nfs/dbraw/zinc/43/90/36/1000439036.db2.gz 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CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](COC(C)C)C2)cc1 ZINC000770346472 1000763356 /nfs/dbraw/zinc/76/33/56/1000763356.db2.gz UQNBIFMLPAUNFW-LJQANCHMSA-N 0 0 363.502 2.868 20 10 FFCDRN Cc1cc(C(=O)NCCN2C(=O)CCCC2=O)c(C)n1-c1cccc(C)c1 ZINC001147549810 1000915665 /nfs/dbraw/zinc/91/56/65/1000915665.db2.gz QMKSAROHTYTECV-UHFFFAOYSA-N 0 0 367.449 2.671 20 10 FFCDRN COCCN(CC(F)F)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000103615100 1001042722 /nfs/dbraw/zinc/04/27/22/1001042722.db2.gz LAYWBQWHXXBVTK-UHFFFAOYSA-N 0 0 371.428 2.587 20 10 FFCDRN O=C(NCC1CC1)[C@@H]1CCC2(C1)CCN(C(=O)c1cccc(O)c1O)CC2 ZINC001148214047 1001069126 /nfs/dbraw/zinc/06/91/26/1001069126.db2.gz NQQIDIAFWUVEFZ-OAHLLOKOSA-N 0 0 372.465 2.647 20 10 FFCDRN COC(=O)CCN(C(=O)c1cccc(O)c1O)c1cc(Cl)ccc1N ZINC001148219850 1001071534 /nfs/dbraw/zinc/07/15/34/1001071534.db2.gz BLRGITGXSMQMMT-UHFFFAOYSA-N 0 0 364.785 2.543 20 10 FFCDRN Nc1ccc2c(c1NC(=O)c1cccc(O)c1O)C(=O)c1ccccc1C2=O ZINC001148218914 1001071605 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FFCDRN COC(=O)c1sccc1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001123903342 1024135561 /nfs/dbraw/zinc/13/55/61/1024135561.db2.gz JYZKHKJSIDVZHS-ZDUSSCGKSA-N 0 0 374.462 2.800 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N(C)C[C@]34CCC[C@H]3OCC4)C2)cc1 ZINC001121980216 1024229523 /nfs/dbraw/zinc/22/95/23/1024229523.db2.gz IJKZTEDKBGXRGX-OZOXKJRCSA-N 0 0 373.497 2.875 20 10 FFCDRN CCOC(=O)c1c(NC(=O)C[C@@H]2CCNC2=O)sc2c1CC[C@@H](C)C2 ZINC001124202696 1024310333 /nfs/dbraw/zinc/31/03/33/1024310333.db2.gz SCMRQNNBVFAJRB-MNOVXSKESA-N 0 0 364.467 2.514 20 10 FFCDRN O=C(Cc1ccccc1F)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000079606478 1024310401 /nfs/dbraw/zinc/31/04/01/1024310401.db2.gz KRQMTQXCPDVDMD-UHFFFAOYSA-N 0 0 356.441 2.893 20 10 FFCDRN CC(=O)N[C@H](CC1CCC1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001124549251 1024343876 /nfs/dbraw/zinc/34/38/76/1024343876.db2.gz DKVOAONENPJACK-HXUWFJFHSA-N 0 0 357.498 2.940 20 10 FFCDRN O=C(NCCCCCO)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000193083444 1024379971 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Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759581969 1024673643 /nfs/dbraw/zinc/67/36/43/1024673643.db2.gz XQLZKOZRLUAMNG-SOFGYWHQSA-N 0 0 372.333 2.510 20 10 FFCDRN Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759581973 1024673905 /nfs/dbraw/zinc/67/39/05/1024673905.db2.gz XQLZKOZRLUAMNG-VURMDHGXSA-N 0 0 372.333 2.510 20 10 FFCDRN Cc1cc(NC(=O)COC(=O)/C=C/c2ccc(O)c(O)c2)n(C(C)(C)C)n1 ZINC000759592876 1024676671 /nfs/dbraw/zinc/67/66/71/1024676671.db2.gz BBMYWOGITNUDFH-SOFGYWHQSA-N 0 0 373.409 2.553 20 10 FFCDRN C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ncccc12 ZINC000759597480 1024681028 /nfs/dbraw/zinc/68/10/28/1024681028.db2.gz SGNZOQUFKVIIRC-JPVGGKMYSA-N 0 0 352.346 2.802 20 10 FFCDRN Cc1cc(CN2Cc3cn(S(C)(=O)=O)nc3C2)c(C)n1-c1ccccc1 ZINC001137859216 1033229509 /nfs/dbraw/zinc/22/95/09/1033229509.db2.gz OCPLXMXYGDNLQR-UHFFFAOYSA-N 0 0 370.478 2.614 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](C)C[C@@H]3CCOC3)CC2)cc1 ZINC000759768937 1024777412 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352.346 2.993 20 10 FFCDRN CS(=O)(=O)c1ccccc1CC(=O)NCc1c(O)ccc2ccccc21 ZINC001304090444 1051529625 /nfs/dbraw/zinc/52/96/25/1051529625.db2.gz IGZIYLORXYBMRW-UHFFFAOYSA-N 0 0 369.442 2.808 20 10 FFCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccnc(N2CCCCC2)n1 ZINC001342951306 1051564987 /nfs/dbraw/zinc/56/49/87/1051564987.db2.gz LRRKKGYFHFESDJ-UHFFFAOYSA-N 0 0 358.789 2.909 20 10 FFCDRN Cn1nc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1C(F)F ZINC001341235705 1051596706 /nfs/dbraw/zinc/59/67/06/1051596706.db2.gz MTMXEFWLBSSBBW-UHFFFAOYSA-N 0 0 366.437 2.841 20 10 FFCDRN Cc1nnc(N2CC[C@@H](C)[C@@H]2C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001304817484 1051718422 /nfs/dbraw/zinc/71/84/22/1051718422.db2.gz OAAFUCWYCMTBHZ-CVEARBPZSA-N 0 0 355.486 2.706 20 10 FFCDRN CCc1nnc(N2CCC[C@@H]2C)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001306174456 1052053152 /nfs/dbraw/zinc/05/31/52/1052053152.db2.gz TYESOCIUUQXDQN-HNNXBMFYSA-N 0 0 373.476 2.853 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCC2(CC2(F)F)CC1 ZINC001343260723 1052111304 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FFCDRN CCC[C@]1(C)C(=O)NCCN1Cc1cc(Br)cc(C)c1O ZINC001308698767 1052488405 /nfs/dbraw/zinc/48/84/05/1052488405.db2.gz ZCHZAMYYWIVADX-MRXNPFEDSA-N 0 0 355.276 2.954 20 10 FFCDRN O=C([N-]C[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2O)C1)C(F)(F)F ZINC001308793473 1052499697 /nfs/dbraw/zinc/49/96/97/1052499697.db2.gz ALAOFLRESHMBAC-SNVBAGLBSA-N 0 0 350.768 2.936 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@H]3CNc4ccccc43)C2)cc1 ZINC001343973882 1052522151 /nfs/dbraw/zinc/52/21/51/1052522151.db2.gz HVFOSUVXRRHQOO-HOTGVXAUSA-N 0 0 351.450 2.990 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cnc4[nH]ccc4c3)CC2)cc1 ZINC001344112695 1052603480 /nfs/dbraw/zinc/60/34/80/1052603480.db2.gz GSJLREJUFZWSRJ-UHFFFAOYSA-N 0 0 350.422 2.876 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)Cc3ccc(O)c(F)c3)CC2)cc1 ZINC001344114556 1052604792 /nfs/dbraw/zinc/60/47/92/1052604792.db2.gz ZOHBRXRPNBZFFP-UHFFFAOYSA-N 0 0 358.413 2.821 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)[nH]c(=O)[nH]c2=S)cc1F ZINC001345921543 1052670631 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CCC/C=C\[C@H](O)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001543233520 1071422283 /nfs/dbraw/zinc/42/22/83/1071422283.db2.gz NVJCHTHKXMLDFN-BTAZLILTSA-N 0 0 364.461 2.773 20 10 FFCDRN COc1ccc([C@@H](C)CCNC(=O)C(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001336385854 1053959058 /nfs/dbraw/zinc/95/90/58/1053959058.db2.gz GHAIDKJHQRFRJH-AWEZNQCLSA-N 0 0 368.433 2.553 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NCc1cccc(O)c1O ZINC001347540727 1054085886 /nfs/dbraw/zinc/08/58/86/1054085886.db2.gz ACYPFQITDKTOOM-GOSISDBHSA-N 0 0 350.415 2.504 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)[C@@]1([C@@H]2CCCCO2)CCCO1 ZINC001347694662 1054233961 /nfs/dbraw/zinc/23/39/61/1054233961.db2.gz BTPIEQGMTQURST-JXFKEZNVSA-N 0 0 356.422 2.675 20 10 FFCDRN Cc1nnc(N2CCSC[C@H]2C)n1Cc1ccc2c(c1)CCCN2C ZINC001543359748 1071458323 /nfs/dbraw/zinc/45/83/23/1071458323.db2.gz DXUGIBXKZMTCHX-CQSZACIVSA-N 0 0 357.527 2.959 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnoc3C(C)C)CC2)c(OC)c1 ZINC001347878118 1054411726 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CCN(CC(OC)OC)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC001348143636 1054695102 /nfs/dbraw/zinc/69/51/02/1054695102.db2.gz JZKUGUFQARZHKO-UHFFFAOYSA-N 0 0 362.470 2.986 20 10 FFCDRN CC(C)c1cncc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001337772504 1055007019 /nfs/dbraw/zinc/00/70/19/1055007019.db2.gz XLWRSXWNXPNEHT-UHFFFAOYSA-N 0 0 358.417 2.665 20 10 FFCDRN CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC001337865584 1055069832 /nfs/dbraw/zinc/06/98/32/1055069832.db2.gz PBLSUDZHGBMIHD-UHFFFAOYSA-N 0 0 358.417 2.665 20 10 FFCDRN Cc1cccnc1[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001349253475 1055161485 /nfs/dbraw/zinc/16/14/85/1055161485.db2.gz BBMKXIYTWVECQQ-MRXNPFEDSA-N 0 0 368.481 2.912 20 10 FFCDRN CCNC(=O)COc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001543712125 1071529597 /nfs/dbraw/zinc/52/95/97/1071529597.db2.gz NZKKQEBFXQJGLT-UHFFFAOYSA-N 0 0 369.381 2.616 20 10 FFCDRN CCc1cccc(CN2CCN(C(=O)c3cccc(OC)c3)CC2)c1O ZINC000848881507 1055294231 /nfs/dbraw/zinc/29/42/31/1055294231.db2.gz PGJLMPAZVKMHPB-UHFFFAOYSA-N 0 0 354.450 2.921 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000847265657 1055349824 /nfs/dbraw/zinc/34/98/24/1055349824.db2.gz HKOAURMDBUDZLK-SFHVURJKSA-N 0 0 353.422 2.807 20 10 FFCDRN Fc1cccc(NC(=S)NCc2cccc(N3CCOCC3)n2)c1F ZINC001338288850 1055389467 /nfs/dbraw/zinc/38/94/67/1055389467.db2.gz QVAJBLVIQCEXLT-UHFFFAOYSA-N 0 0 364.421 2.683 20 10 FFCDRN C[C@@H](Cc1ccccn1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000847298935 1055416685 /nfs/dbraw/zinc/41/66/85/1055416685.db2.gz SWYIRDMXUXLIQB-IRXDYDNUSA-N 0 0 368.481 2.910 20 10 FFCDRN C/C(=C\c1ccncc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000847304688 1055437625 /nfs/dbraw/zinc/43/76/25/1055437625.db2.gz YUWHEBFUILRYEO-BMRADRMJSA-N 0 0 351.450 2.980 20 10 FFCDRN CCOC(=O)C[C@H]1CCN(C(=O)/C=C\c2cn(C)cn2)c2ccccc21 ZINC001338384845 1055466957 /nfs/dbraw/zinc/46/69/57/1055466957.db2.gz VUBTYELEGHVQAW-WHLNPGIBSA-N 0 0 353.422 2.907 20 10 FFCDRN CN(C)c1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(F)c2F)cc1 ZINC001473033996 1055512654 /nfs/dbraw/zinc/51/26/54/1055512654.db2.gz MAZSIGHIVUJAQL-UHFFFAOYSA-N 0 0 365.336 2.634 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)Cn1nnc2c1CCCC2 ZINC000847366286 1055608361 /nfs/dbraw/zinc/60/83/61/1055608361.db2.gz TYRCWEYUJONNTD-UHFFFAOYSA-N 0 0 355.486 2.660 20 10 FFCDRN CO[C@H]1CCn2cc(C(=O)N(C)Cc3ccc(N4CCCC4)cc3)nc2C1 ZINC001352627753 1055665160 /nfs/dbraw/zinc/66/51/60/1055665160.db2.gz WEMNGIGHDQBGRV-SFHVURJKSA-N 0 0 368.481 2.717 20 10 FFCDRN CC[C@]1(C(=O)NCc2cccc(O)c2O)CCN(C(=O)OC(C)(C)C)C1 ZINC001350300750 1055713980 /nfs/dbraw/zinc/71/39/80/1055713980.db2.gz XXTWPGFFWXDZNP-IBGZPJMESA-N 0 0 364.442 2.751 20 10 FFCDRN CC1(C)CN(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000847425752 1055756625 /nfs/dbraw/zinc/75/66/25/1055756625.db2.gz SPIABWPXDGRECG-UHFFFAOYSA-N 0 0 367.440 2.715 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000847429095 1055760416 /nfs/dbraw/zinc/76/04/16/1055760416.db2.gz FBJOLBXGWYHMTH-CQSZACIVSA-N 0 0 366.458 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FFCDRN COc1ccc2c(c1)CCCN2Cn1c2cc([N+](=O)[O-])ccc2oc1=O ZINC000766342677 1061695692 /nfs/dbraw/zinc/69/56/92/1061695692.db2.gz YXPPVRRJPNEBDZ-UHFFFAOYSA-N 0 0 355.350 2.922 20 10 FFCDRN C[C@H](Sc1nncn1C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001463804430 1062271173 /nfs/dbraw/zinc/27/11/73/1062271173.db2.gz FLWVIQCRQXFRGZ-AWEZNQCLSA-N 0 0 359.499 2.555 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc3oc(=O)[nH]c3c2)c1 ZINC001479222690 1062295770 /nfs/dbraw/zinc/29/57/70/1062295770.db2.gz LPAHRKHRNJWNJA-SNVBAGLBSA-N 0 0 357.366 2.808 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCCCNC(=O)[C@@H]2C[C@H]2C2CCC2)cc1 ZINC001522927257 1062331264 /nfs/dbraw/zinc/33/12/64/1062331264.db2.gz OIFRGARIGLEAMG-JKSUJKDBSA-N 0 0 371.441 2.521 20 10 FFCDRN COCCOc1ncccc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001523553880 1062517262 /nfs/dbraw/zinc/51/72/62/1062517262.db2.gz PMMKOFQUAAZQLB-UHFFFAOYSA-N 0 0 369.465 2.979 20 10 FFCDRN CCC[C@H](C)CS(=O)(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001464330249 1062551121 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COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(Cl)cn1C ZINC001546151632 1062978282 /nfs/dbraw/zinc/97/82/82/1062978282.db2.gz ASFBYFHKOWEVSZ-UHFFFAOYSA-N 0 0 371.220 2.853 20 10 FFCDRN CC(C)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OCc1ccccc1 ZINC001465211471 1063011708 /nfs/dbraw/zinc/01/17/08/1063011708.db2.gz IWRFETVNCONLPT-KRWDZBQOSA-N 0 0 371.433 2.915 20 10 FFCDRN Cc1nnnn1-c1cccc(NC(=O)NCc2cccc(Cl)c2O)c1 ZINC001465212767 1063012088 /nfs/dbraw/zinc/01/20/88/1063012088.db2.gz ZFWKCMOZDIQZQK-UHFFFAOYSA-N 0 0 358.789 2.651 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(-c3cccnc3)nn2C)c1 ZINC001465991357 1063291487 /nfs/dbraw/zinc/29/14/87/1063291487.db2.gz CCBGQKGMENNDDV-GFCCVEGCSA-N 0 0 352.394 2.687 20 10 FFCDRN CCOC(=O)[C@@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C(C)C ZINC001466290447 1063384364 /nfs/dbraw/zinc/38/43/64/1063384364.db2.gz XKBLXTIJRLTFRG-SJLPKXTDSA-N 0 0 363.454 2.735 20 10 FFCDRN CCOC(=O)[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(C)C ZINC001466290448 1063384432 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CC[C@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1noc(C)n1 ZINC001468323374 1063966225 /nfs/dbraw/zinc/96/62/25/1063966225.db2.gz UPZFMASLGMJYML-DYVFJYSZSA-N 0 0 373.457 2.726 20 10 FFCDRN CN(C(=O)NCc1ccc(N(C)C2CCCCC2)cc1)[C@H]1C[C@@H](C(N)=O)C1 ZINC001468338895 1063969422 /nfs/dbraw/zinc/96/94/22/1063969422.db2.gz QDHAANFHGFUJJY-UWUNEBHHSA-N 0 0 372.513 2.861 20 10 FFCDRN COc1c[nH]nc1NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001469689391 1064193135 /nfs/dbraw/zinc/19/31/35/1064193135.db2.gz ZEFUZIZFXYSRKQ-UHFFFAOYSA-N 0 0 354.410 2.899 20 10 FFCDRN Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC001469875157 1064222646 /nfs/dbraw/zinc/22/26/46/1064222646.db2.gz VQQIUBOROUNTHR-SXGWCWSVSA-N 0 0 369.812 2.655 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1ccc(-n2cnc3ccccc32)nc1 ZINC001471660900 1064749526 /nfs/dbraw/zinc/74/95/26/1064749526.db2.gz CSFZLYUKCNVJMG-UHFFFAOYSA-N 0 0 360.373 2.762 20 10 FFCDRN CC[C@@H]1C(=O)NCCCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001472014500 1064891102 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COc1c(F)cccc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC001474884855 1065636917 /nfs/dbraw/zinc/63/69/17/1065636917.db2.gz IAQJFRWXAUIYFK-UHFFFAOYSA-N 0 0 364.442 2.695 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnc(N)cn2)cc1 ZINC001578426097 1078473200 /nfs/dbraw/zinc/47/32/00/1078473200.db2.gz TZTXYFZEVDZZBT-UHFFFAOYSA-N 0 0 351.410 2.560 20 10 FFCDRN Nc1ccc(CNC(=O)C(F)(F)c2ncccc2Br)cc1 ZINC001580443463 1078805567 /nfs/dbraw/zinc/80/55/67/1078805567.db2.gz HKAIOZPACXIWAD-UHFFFAOYSA-N 0 0 356.170 2.835 20 10 FFCDRN Cc1cc(CCNc2cc(-c3nn[nH]n3)cnn2)c(C)n1-c1ccccc1 ZINC001580923369 1078892385 /nfs/dbraw/zinc/89/23/85/1078892385.db2.gz PMWOMRFDHUQHJJ-UHFFFAOYSA-N 0 0 360.425 2.719 20 10 FFCDRN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)Cc1ccc(O)c(O)c1)CCC2 ZINC001584027727 1079297600 /nfs/dbraw/zinc/29/76/00/1079297600.db2.gz SXDFVAHWPXJUOG-MRXNPFEDSA-N 0 0 369.417 2.663 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(F)c(Br)c1 ZINC001556157414 1075710110 /nfs/dbraw/zinc/71/01/10/1075710110.db2.gz BAAYZERAPKOGRI-QMMMGPOBSA-N 0 0 369.190 2.755 20 10 FFCDRN CCCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@H]1CC(=O)N(C)C1=O ZINC001556332716 1075731001 /nfs/dbraw/zinc/73/10/01/1075731001.db2.gz NBEGOUIXRNUPJF-SFHVURJKSA-N 0 0 367.449 2.704 20 10 FFCDRN COc1ccc(CNC(=O)c2nn(C(C)C)c(=O)c3ccccc32)c(O)c1 ZINC001556353927 1075732480 /nfs/dbraw/zinc/73/24/80/1075732480.db2.gz QRWDRTNAUBAECG-UHFFFAOYSA-N 0 0 367.405 2.622 20 10 FFCDRN CCN(CC)C(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O ZINC001556505946 1075747861 /nfs/dbraw/zinc/74/78/61/1075747861.db2.gz XSDUHPVIRZJOEL-AWEZNQCLSA-N 0 0 364.442 2.879 20 10 FFCDRN O=C(Nc1ccc(O[C@@H]2CC(=O)N2)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001556589378 1075755699 /nfs/dbraw/zinc/75/56/99/1075755699.db2.gz ICGJLORIRMLTRF-QGZVFWFLSA-N 0 0 370.386 2.790 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)c2ccccn2)c1 ZINC001556765356 1075773434 /nfs/dbraw/zinc/77/34/34/1075773434.db2.gz OHQVGMYAMMXMJU-HXUWFJFHSA-N 0 0 363.417 2.765 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H]1Cc2ccccc2O1 ZINC001557115496 1075809961 /nfs/dbraw/zinc/80/99/61/1075809961.db2.gz VNGRKDIVKDTDHY-KRWDZBQOSA-N 0 0 369.417 2.678 20 10 FFCDRN COC(=O)N1CC(C)(NC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C1 ZINC001558375762 1075992491 /nfs/dbraw/zinc/99/24/91/1075992491.db2.gz YMSQPWCIHAUMGA-UHFFFAOYSA-N 0 0 371.437 2.673 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NCc1c(O)cccc1F ZINC001558457169 1076009712 /nfs/dbraw/zinc/00/97/12/1076009712.db2.gz JBSDNSCQGGSJEK-GOSISDBHSA-N 0 0 352.406 2.937 20 10 FFCDRN Nc1c(C(=O)NCc2c(O)cccc2O)cc2ccccc2c1[N+](=O)[O-] ZINC001558536413 1076027800 /nfs/dbraw/zinc/02/78/00/1076027800.db2.gz XJUSSXLXJOJAQW-UHFFFAOYSA-N 0 0 353.334 2.671 20 10 FFCDRN COc1ccc(N2CCN(c3ncc([N+](=O)[O-])cc3C)CC2)c(OC)c1 ZINC001559262008 1076141548 /nfs/dbraw/zinc/14/15/48/1076141548.db2.gz WRAVOIDFMYWKRJ-UHFFFAOYSA-N 0 0 358.398 2.642 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)Nc1ncc(C(N)=O)s1 ZINC001563391582 1076549482 /nfs/dbraw/zinc/54/94/82/1076549482.db2.gz KUJGZLCSQDJCAY-UHFFFAOYSA-N 0 0 359.455 2.506 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2[C@H](C)C(=O)N(C)[C@@H](C)[C@H]2C)cc1 ZINC001563693361 1076576244 /nfs/dbraw/zinc/57/62/44/1076576244.db2.gz NVCHJTLSOOLOCL-ARFHVFGLSA-N 0 0 360.502 2.682 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H]2C[C@]2(C)c2ccccc2OC)c(O)c1 ZINC001564138640 1076608684 /nfs/dbraw/zinc/60/86/84/1076608684.db2.gz NURGTURYBHJYDT-AZUAARDMSA-N 0 0 356.422 2.939 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC001565978693 1076824461 /nfs/dbraw/zinc/82/44/61/1076824461.db2.gz RTYGVWJZWPCULM-OAHLLOKOSA-N 0 0 356.205 2.797 20 10 FFCDRN O=C(Nc1cccc(O[C@@H]2CC(=O)N2)c1)c1cc2cc(O)c(O)cc2s1 ZINC001570301709 1077197956 /nfs/dbraw/zinc/19/79/56/1077197956.db2.gz FQSVIXSVIYETEJ-QGZVFWFLSA-N 0 0 370.386 2.790 20 10 FFCDRN Nc1cc(F)c(Br)cc1C(=O)NCc1ccc(O)cc1O ZINC001570463602 1077207511 /nfs/dbraw/zinc/20/75/11/1077207511.db2.gz USFJSPXLLFTOHQ-UHFFFAOYSA-N 0 0 355.163 2.512 20 10 FFCDRN CCc1ccc(CN2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)s1 ZINC001586476425 1079636026 /nfs/dbraw/zinc/63/60/26/1079636026.db2.gz JYLWIJBTFFHWQB-UHFFFAOYSA-N 0 0 360.479 2.609 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](CO)c2cccc(C(F)(F)F)c2)c(O)c1O ZINC001587355436 1079780100 /nfs/dbraw/zinc/78/01/00/1079780100.db2.gz FWJFOARIYBAGGM-CYBMUJFWSA-N 0 0 355.312 2.888 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3Cc4ccccc43)CC2)c(OC)c1 ZINC001587486622 1079799237 /nfs/dbraw/zinc/79/92/37/1079799237.db2.gz CJAPUCMOVHVNTC-GOSISDBHSA-N 0 0 352.434 2.692 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589962600 1080906270 /nfs/dbraw/zinc/90/62/70/1080906270.db2.gz HRMNHKHMAMOYHL-HUUCEWRRSA-N 0 0 364.453 2.749 20 10 FFCDRN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc1 ZINC000008178415 132373725 /nfs/dbraw/zinc/37/37/25/132373725.db2.gz IKNPSLLBMKXINI-UHFFFAOYSA-N 0 0 358.354 2.838 20 10 FFCDRN Cc1noc(C)c1CCNC(=O)NCc1cccc(Br)c1O ZINC000277629111 510967517 /nfs/dbraw/zinc/96/75/17/510967517.db2.gz WWSVMEOEWQZDNS-UHFFFAOYSA-N 0 0 368.231 2.801 20 10 FFCDRN O=C(Nc1ccncn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000373213630 512223100 /nfs/dbraw/zinc/22/31/00/512223100.db2.gz BKKCYTCIPOWATE-UHFFFAOYSA-N 0 0 363.368 2.869 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000371138594 512237524 /nfs/dbraw/zinc/23/75/24/512237524.db2.gz GAJOWZHELSZVCW-QGZVFWFLSA-N 0 0 355.486 2.953 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@H](c2nc[nH]n2)c2ccccc2)cc1F ZINC000375345229 512278325 /nfs/dbraw/zinc/27/83/25/512278325.db2.gz MPCLPTJSDOTXMN-KRWDZBQOSA-N 0 0 368.416 2.599 20 10 FFCDRN COCc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054787111 506622625 /nfs/dbraw/zinc/62/26/25/506622625.db2.gz AJUCAHOIVKEZLM-UHFFFAOYSA-N 0 0 369.465 2.669 20 10 FFCDRN COc1cccc(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054786751 506622944 /nfs/dbraw/zinc/62/29/44/506622944.db2.gz FQLZSKCMRWDMPP-UHFFFAOYSA-N 0 0 369.465 2.873 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(F)ccc1F ZINC000055523315 506769678 /nfs/dbraw/zinc/76/96/78/506769678.db2.gz RQVCSDMYRHQWID-UHFFFAOYSA-N 0 0 350.340 2.871 20 10 FFCDRN COCc1cccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000016134887 507075772 /nfs/dbraw/zinc/07/57/72/507075772.db2.gz RDJDIHCOEGCLBR-UHFFFAOYSA-N 0 0 354.450 2.942 20 10 FFCDRN COc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c(OC)c1OC ZINC000058730563 507458489 /nfs/dbraw/zinc/45/84/89/507458489.db2.gz JDJRUDGJFFQXTP-UHFFFAOYSA-N 0 0 362.401 2.848 20 10 FFCDRN COc1ccccc1CCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000049740563 507634111 /nfs/dbraw/zinc/63/41/11/507634111.db2.gz AKOKTANUAQBDCH-UHFFFAOYSA-N 0 0 354.450 2.781 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C[C@@H]2Oc3ccccc3NC2=O)cc1 ZINC000029471852 507779214 /nfs/dbraw/zinc/77/92/14/507779214.db2.gz QBQBJAUAAYJLOR-SFHVURJKSA-N 0 0 353.422 2.501 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000031727280 507821215 /nfs/dbraw/zinc/82/12/15/507821215.db2.gz KRUXNRDZIHSMGA-OAHLLOKOSA-N 0 0 364.453 2.894 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000072552628 507823341 /nfs/dbraw/zinc/82/33/41/507823341.db2.gz ZXEIEXYPQSIZNE-MRXNPFEDSA-N 0 0 370.453 2.968 20 10 FFCDRN Cc1ccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1O ZINC000089437107 507838030 /nfs/dbraw/zinc/83/80/30/507838030.db2.gz XZUGNQRSLGRZJC-UHFFFAOYSA-N 0 0 358.413 2.535 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc(=O)n2C)cc1 ZINC000089530187 507845317 /nfs/dbraw/zinc/84/53/17/507845317.db2.gz SZKQGDALHCXZKC-UHFFFAOYSA-N 0 0 367.371 2.656 20 10 FFCDRN CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000078353223 507864048 /nfs/dbraw/zinc/86/40/48/507864048.db2.gz NIAPTFQYFYQTIW-NRFANRHFSA-N 0 0 365.477 2.684 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nncn1C ZINC000108443881 507894967 /nfs/dbraw/zinc/89/49/67/507894967.db2.gz LQINRNZIVILQDP-OAHLLOKOSA-N 0 0 356.474 2.612 20 10 FFCDRN Cc1cc(C(=O)N2CCC3(CNC(=O)C3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000073306857 507912737 /nfs/dbraw/zinc/91/27/37/507912737.db2.gz ILHKTUMKOQAUQL-UHFFFAOYSA-N 0 0 369.440 2.976 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]1[C@H](O)C(F)(F)F ZINC000078896548 507915109 /nfs/dbraw/zinc/91/51/09/507915109.db2.gz SRCQUGBIFVFHOD-HOTGVXAUSA-N 0 0 371.403 2.884 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@@H](O)c3cccc(F)c3)CC2)cc1 ZINC000090820369 507938015 /nfs/dbraw/zinc/93/80/15/507938015.db2.gz HRGFJNSGGDBZSX-LJQANCHMSA-N 0 0 358.413 2.607 20 10 FFCDRN CCCCNC(=O)Cc1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000109447103 507963830 /nfs/dbraw/zinc/96/38/30/507963830.db2.gz MRIALWVNUYSHGJ-RMKNXTFCSA-N 0 0 370.453 2.535 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(c2cnccn2)CC1 ZINC000073955032 507971345 /nfs/dbraw/zinc/97/13/45/507971345.db2.gz BETMICJZUYHJBQ-UHFFFAOYSA-N 0 0 365.481 2.610 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCC(C)(C)CCCO)CC2)cc1 ZINC000371391877 512373553 /nfs/dbraw/zinc/37/35/53/512373553.db2.gz GXJMUTIYFOSJNS-UHFFFAOYSA-N 0 0 363.502 2.716 20 10 FFCDRN C[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H]1c1ccccc1 ZINC000091984397 508029599 /nfs/dbraw/zinc/02/95/99/508029599.db2.gz FQLHLUFLFDFRFT-SJCJKPOMSA-N 0 0 360.435 2.597 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCCCC(=O)N1CCc2ccccc21 ZINC000111897899 508135480 /nfs/dbraw/zinc/13/54/80/508135480.db2.gz HTNJIGREJLHPLV-UHFFFAOYSA-N 0 0 367.449 2.903 20 10 FFCDRN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCc2ccccc21 ZINC000093913430 508160794 /nfs/dbraw/zinc/16/07/94/508160794.db2.gz UOIRLVFPVQKECG-INIZCTEOSA-N 0 0 360.435 2.523 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)Cc3ccc(Cl)nc3)ccc21 ZINC000101575493 508248379 /nfs/dbraw/zinc/24/83/79/508248379.db2.gz ZEBBZFRVPHTDJY-UHFFFAOYSA-N 0 0 365.886 2.737 20 10 FFCDRN COc1cccc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1O ZINC000105652045 508379842 /nfs/dbraw/zinc/37/98/42/508379842.db2.gz VFOZERLHOHYNIU-CQSZACIVSA-N 0 0 354.406 2.608 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)c1O ZINC000105652474 508379882 /nfs/dbraw/zinc/37/98/82/508379882.db2.gz MYPWNZYZGATDAZ-CYBMUJFWSA-N 0 0 374.824 2.724 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O ZINC000089239851 508393933 /nfs/dbraw/zinc/39/39/33/508393933.db2.gz HNHBFMMHNMNJHO-SFHVURJKSA-N 0 0 367.449 2.725 20 10 FFCDRN COc1cccnc1N(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000121887134 508441203 /nfs/dbraw/zinc/44/12/03/508441203.db2.gz HMKARJGJOPWVFM-JXMROGBWSA-N 0 0 353.422 2.603 20 10 FFCDRN COc1ccc([C@@H]2[C@@H](C(=O)N(C)Cc3ccccc3O)CC(=O)N2C)cc1 ZINC000116443153 508514487 /nfs/dbraw/zinc/51/44/87/508514487.db2.gz DFMMGJYVPYVTKO-FXAWDEMLSA-N 0 0 368.433 2.579 20 10 FFCDRN CCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000127965548 508528462 /nfs/dbraw/zinc/52/84/62/508528462.db2.gz AXUOQJPRBAKBBX-GOSISDBHSA-N 0 0 370.497 2.511 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCc3cnn(C)c3)c2C)cc1 ZINC000117731100 508614936 /nfs/dbraw/zinc/61/49/36/508614936.db2.gz WSDAMJDDULKSNF-UHFFFAOYSA-N 0 0 352.438 2.809 20 10 FFCDRN Cc1ccn2ncc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)c2n1 ZINC000117974970 508625221 /nfs/dbraw/zinc/62/52/21/508625221.db2.gz IEDRUEQAGUTZOR-INIZCTEOSA-N 0 0 366.421 2.565 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCCNc1ccccn1 ZINC000136190885 508677313 /nfs/dbraw/zinc/67/73/13/508677313.db2.gz CVLYEVOSJMAWJN-JXMROGBWSA-N 0 0 366.465 2.550 20 10 FFCDRN CCS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000119075034 508720044 /nfs/dbraw/zinc/72/00/44/508720044.db2.gz CWFPTBNZPXUPGK-UHFFFAOYSA-N 0 0 360.479 2.818 20 10 FFCDRN Cc1noc(C)c1[C@@H](C)CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000154183609 508732092 /nfs/dbraw/zinc/73/20/92/508732092.db2.gz PAGMEHISRMPWCU-AWEZNQCLSA-N 0 0 372.469 2.731 20 10 FFCDRN COC[C@H](C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000139500264 508790374 /nfs/dbraw/zinc/79/03/74/508790374.db2.gz QVCLXNSDGXLAJI-ILXRZTDVSA-N 0 0 367.465 2.521 20 10 FFCDRN Cc1cc(C(=O)Nc2cc(-c3nccn3C)[nH]n2)c(C)n1-c1ccccn1 ZINC000119564176 508819862 /nfs/dbraw/zinc/81/98/62/508819862.db2.gz NFZRZUBUTVOROP-UHFFFAOYSA-N 0 0 361.409 2.865 20 10 FFCDRN CNc1c(Cl)ncnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000125056357 508924177 /nfs/dbraw/zinc/92/41/77/508924177.db2.gz NMDFYOQEVJRHHX-UHFFFAOYSA-N 0 0 351.813 2.646 20 10 FFCDRN COC(=O)C[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000150987599 508935884 /nfs/dbraw/zinc/93/58/84/508935884.db2.gz HWHAPNMFRZOUTI-CHWSQXEVSA-N 0 0 370.396 2.572 20 10 FFCDRN CN(CCC(=O)OC(C)(C)C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000151000630 508937561 /nfs/dbraw/zinc/93/75/61/508937561.db2.gz BFVBKTJIJJDGAZ-UHFFFAOYSA-N 0 0 359.470 2.936 20 10 FFCDRN Cc1nn(C)c(C)c1OCC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000131844039 508974614 /nfs/dbraw/zinc/97/46/14/508974614.db2.gz ZATXMJNPIWPHAS-UHFFFAOYSA-N 0 0 370.497 2.968 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)c1O ZINC000155457684 509005123 /nfs/dbraw/zinc/00/51/23/509005123.db2.gz GUQIMHKHTBHYLL-RHSMWYFYSA-N 0 0 368.433 2.627 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000125732316 509023085 /nfs/dbraw/zinc/02/30/85/509023085.db2.gz JPBDMHKKDKBSII-AREMUKBSSA-N 0 0 374.462 2.507 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C)C)cc1 ZINC000125752453 509025211 /nfs/dbraw/zinc/02/52/11/509025211.db2.gz RGWFEXWFILGWSU-UHFFFAOYSA-N 0 0 355.438 2.836 20 10 FFCDRN CCCCn1nccc1NC(=O)C(=O)N(CCC)Cc1ccccc1O ZINC000125883920 509040920 /nfs/dbraw/zinc/04/09/20/509040920.db2.gz MFEZGXSOABPFMG-UHFFFAOYSA-N 0 0 358.442 2.766 20 10 FFCDRN COc1cccc(CNC(=O)C2(c3ccc(F)cc3)CCOCC2)c1O ZINC000155715332 509058250 /nfs/dbraw/zinc/05/82/50/509058250.db2.gz MYRKTVQWAGTNRB-UHFFFAOYSA-N 0 0 359.397 2.905 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1c(F)cc(F)cc1F ZINC000161537001 509126173 /nfs/dbraw/zinc/12/61/73/509126173.db2.gz WKPJRPFMNNXXRA-UHFFFAOYSA-N 0 0 350.340 2.871 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@H]3CSCCS3)CC2)cc1 ZINC000178916618 509181743 /nfs/dbraw/zinc/18/17/43/509181743.db2.gz APXYTBJNOWUXRL-INIZCTEOSA-N 0 0 352.525 2.583 20 10 FFCDRN CNC(=O)C1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)CC1 ZINC000266793194 509196216 /nfs/dbraw/zinc/19/62/16/509196216.db2.gz TYPUKCJFHUNHJZ-UHFFFAOYSA-N 0 0 374.529 2.977 20 10 FFCDRN COc1cc(N2CCN(C(=O)[C@@H]3CC=CCC3)CC2)cc(OC)c1OC ZINC000185500618 509208394 /nfs/dbraw/zinc/20/83/94/509208394.db2.gz MMRVQWDBNNYQKZ-OAHLLOKOSA-N 0 0 360.454 2.717 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(CN(C)C(=O)C(C)C)cc2)c1O ZINC000175930008 509224211 /nfs/dbraw/zinc/22/42/11/509224211.db2.gz OOWPLTZWGGIKOF-UHFFFAOYSA-N 0 0 370.449 2.945 20 10 FFCDRN CC(=O)N1CCN(Cc2cccc(NCc3cccc(C)c3O)c2)CC1 ZINC000188767168 509253980 /nfs/dbraw/zinc/25/39/80/509253980.db2.gz SLNLAIFUQSPWQA-UHFFFAOYSA-N 0 0 353.466 2.977 20 10 FFCDRN C[C@H](C1CC1)n1nccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191984970 509278408 /nfs/dbraw/zinc/27/84/08/509278408.db2.gz AAQSXDYHBYITDD-CQSZACIVSA-N 0 0 369.469 2.517 20 10 FFCDRN Cc1cc(C(=O)N2CCC(NC(N)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000176055400 509299651 /nfs/dbraw/zinc/29/96/51/509299651.db2.gz BCMNGNRLSLLZPK-UHFFFAOYSA-N 0 0 354.454 2.675 20 10 FFCDRN CCCNC(=O)c1cccc(NC(=O)NCc2cccc(OC)c2O)c1 ZINC000264224213 509394390 /nfs/dbraw/zinc/39/43/90/509394390.db2.gz JUSSNILVJCXGIS-UHFFFAOYSA-N 0 0 357.410 2.862 20 10 FFCDRN Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c(O)c1O ZINC000179393732 509419575 /nfs/dbraw/zinc/41/95/75/509419575.db2.gz GNOLFVBUDICJID-ZDUSSCGKSA-N 0 0 352.394 2.820 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(N2CCCC2)ccn1 ZINC000189162703 509444159 /nfs/dbraw/zinc/44/41/59/509444159.db2.gz OVXJZRXHMAVGOC-UHFFFAOYSA-N 0 0 352.438 2.787 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NC[C@]3(O)CCSC3)cc2)CC1 ZINC000176342477 509455450 /nfs/dbraw/zinc/45/54/50/509455450.db2.gz XTPYRQDHAUUOTM-LJQANCHMSA-N 0 0 363.527 2.590 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C=O)[nH]3)cc2F)C[C@H](C)O1 ZINC000267355385 509463401 /nfs/dbraw/zinc/46/34/01/509463401.db2.gz MXUPNKNEKMWXGL-BETUJISGSA-N 0 0 359.401 2.510 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000186054965 509500515 /nfs/dbraw/zinc/50/05/15/509500515.db2.gz AJXZYXCQOVMNTH-ZANVPECISA-N 0 0 369.252 2.889 20 10 FFCDRN CCOc1cccc(CNc2ccc3c(c2)CCN3C(=O)COC)c1O ZINC000189316406 509516218 /nfs/dbraw/zinc/51/62/18/509516218.db2.gz DFAQIGYJQXHGQU-UHFFFAOYSA-N 0 0 356.422 2.939 20 10 FFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000189346499 509531566 /nfs/dbraw/zinc/53/15/66/509531566.db2.gz QNPWTYURPJSDRL-UHFFFAOYSA-N 0 0 368.393 2.516 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)NC1CCC1 ZINC000264450914 509535754 /nfs/dbraw/zinc/53/57/54/509535754.db2.gz OXODQIRQLSEZCH-UHFFFAOYSA-N 0 0 357.376 2.894 20 10 FFCDRN CCn1nc(C)c([N+](=O)[O-])c1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000192511820 509541706 /nfs/dbraw/zinc/54/17/06/509541706.db2.gz DDIVEWFIBCHJEI-UHFFFAOYSA-N 0 0 363.393 2.707 20 10 FFCDRN CN(C(=O)Cc1ccc(N)cc1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000237032304 509555805 /nfs/dbraw/zinc/55/58/05/509555805.db2.gz WNFVHUXPSZGEST-KRWDZBQOSA-N 0 0 357.841 2.729 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186167209 509557448 /nfs/dbraw/zinc/55/74/48/509557448.db2.gz CFMZMILFCGIIAW-UWVGGRQHSA-N 0 0 367.298 2.631 20 10 FFCDRN C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000176530236 509566273 /nfs/dbraw/zinc/56/62/73/509566273.db2.gz ZXVUUTFPSZBBML-CJNGLKHVSA-N 0 0 374.462 2.782 20 10 FFCDRN CC(=O)CSCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000192632852 509573745 /nfs/dbraw/zinc/57/37/45/509573745.db2.gz IRBGJBKJPFKTKC-CYBMUJFWSA-N 0 0 372.437 2.695 20 10 FFCDRN Cc1nccn1CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000264523228 509578796 /nfs/dbraw/zinc/57/87/96/509578796.db2.gz IJPJEVKBPVMWOT-UHFFFAOYSA-N 0 0 355.486 2.927 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCCCN1CCOCC1 ZINC000264648848 509623344 /nfs/dbraw/zinc/62/33/44/509623344.db2.gz GEGUOBKTHKXQTN-UHFFFAOYSA-N 0 0 361.530 2.992 20 10 FFCDRN COc1ccc(C(=O)N2CCN(Cc3cc(F)ccc3O)CC2)cc1OC ZINC000179908182 509669494 /nfs/dbraw/zinc/66/94/94/509669494.db2.gz XJWKZFRWRVZSBJ-UHFFFAOYSA-N 0 0 374.412 2.507 20 10 FFCDRN Oc1ccccc1CN(Cc1nnc2n1CCCCC2)C[C@@H]1CCCO1 ZINC000264760831 509688632 /nfs/dbraw/zinc/68/86/32/509688632.db2.gz YWRJNXRBPSWDNJ-KRWDZBQOSA-N 0 0 356.470 2.891 20 10 FFCDRN CN(C)[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000264779153 509700246 /nfs/dbraw/zinc/70/02/46/509700246.db2.gz TWLFUWFUWJLDFR-VQFGERMISA-N 0 0 369.465 2.549 20 10 FFCDRN COC(=O)C1(NC(=O)c2cc(C)n(-c3ccccn3)c2C)CCSCC1 ZINC000180061123 509731931 /nfs/dbraw/zinc/73/19/31/509731931.db2.gz NMYLQHRBRJGKCU-UHFFFAOYSA-N 0 0 373.478 2.658 20 10 FFCDRN COC[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000173766663 509764116 /nfs/dbraw/zinc/76/41/16/509764116.db2.gz QLROUJSHGGGONV-YOCVDRLZSA-N 0 0 356.422 2.633 20 10 FFCDRN Nc1ccc(CC(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)cc1 ZINC000237916145 509772510 /nfs/dbraw/zinc/77/25/10/509772510.db2.gz VXMCZCDOUAJZGS-INIZCTEOSA-N 0 0 374.282 2.969 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CCCOC1 ZINC000170794091 509780569 /nfs/dbraw/zinc/78/05/69/509780569.db2.gz SQQJDZULBATGSJ-AWEZNQCLSA-N 0 0 372.387 2.585 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)NC(=O)CC1CCCCC1 ZINC000183439334 509790287 /nfs/dbraw/zinc/79/02/87/509790287.db2.gz YGNYKMPVYOQSSJ-ZIAGYGMSSA-N 0 0 362.470 2.620 20 10 FFCDRN Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 ZINC000237982934 509790583 /nfs/dbraw/zinc/79/05/83/509790583.db2.gz QINZDUKOQPTLIY-UHFFFAOYSA-N 0 0 373.478 2.625 20 10 FFCDRN Cc1ccc(CNC(=O)NCc2ccccc2O)c(O[C@@H]2CCOC2)c1 ZINC000268266898 509843497 /nfs/dbraw/zinc/84/34/97/509843497.db2.gz ZAYPUVGBGZYOGA-QGZVFWFLSA-N 0 0 356.422 2.868 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCC[C@@H]1C ZINC000171067369 509919709 /nfs/dbraw/zinc/91/97/09/509919709.db2.gz OVNPBRDBHQXEAM-IRXDYDNUSA-N 0 0 372.513 2.876 20 10 FFCDRN CC(=O)c1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000174061861 509929712 /nfs/dbraw/zinc/92/97/12/509929712.db2.gz GYLVZNRONJWUKJ-UHFFFAOYSA-N 0 0 360.435 2.543 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC1CCOCC1 ZINC000174153404 509973230 /nfs/dbraw/zinc/97/32/30/509973230.db2.gz KIEMQEAZKHVYNY-UHFFFAOYSA-N 0 0 357.248 2.865 20 10 FFCDRN C[C@@H](NCc1nnc2n1CCCC2)c1cc(Br)ccc1O ZINC000183852022 510006553 /nfs/dbraw/zinc/00/65/53/510006553.db2.gz LFUXTTAJTXHLRN-SNVBAGLBSA-N 0 0 351.248 2.933 20 10 FFCDRN CCOc1cc([N+](=O)[O-])c(C(=O)N(C)Cc2ccccc2O)cc1OC ZINC000268592119 510024500 /nfs/dbraw/zinc/02/45/00/510024500.db2.gz BWACDIOQPHRBGN-UHFFFAOYSA-N 0 0 360.366 2.980 20 10 FFCDRN O=C(c1cccc2c1OCCO2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000265398519 510032943 /nfs/dbraw/zinc/03/29/43/510032943.db2.gz KAEIZCYITZCGPM-INIZCTEOSA-N 0 0 369.417 2.985 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc(C(C)=O)c3)CC2)cc1F ZINC000268855463 510103367 /nfs/dbraw/zinc/10/33/67/510103367.db2.gz GRFLNWWFKPMIRN-UHFFFAOYSA-N 0 0 356.397 2.999 20 10 FFCDRN Cc1ccnc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000184181603 510178148 /nfs/dbraw/zinc/17/81/48/510178148.db2.gz FDPXHBFFWWYBGP-UHFFFAOYSA-N 0 0 354.454 2.920 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000194021132 510178418 /nfs/dbraw/zinc/17/84/18/510178418.db2.gz RTRYCGQTRMMTFZ-UHFFFAOYSA-N 0 0 371.412 2.512 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)c3ccncc3F)cc2F)C[C@H](C)O1 ZINC000265832897 510254548 /nfs/dbraw/zinc/25/45/48/510254548.db2.gz CSBWZFMUFADLPK-STQMWFEESA-N 0 0 361.392 2.903 20 10 FFCDRN COc1cccc(CNC(=O)[C@H]2CCCCN2C(=O)OC(C)(C)C)c1O ZINC000269205473 510289571 /nfs/dbraw/zinc/28/95/71/510289571.db2.gz TXVBIQNQOBTXKM-CQSZACIVSA-N 0 0 364.442 2.807 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCOC2(CCC2)C1 ZINC000269208594 510292751 /nfs/dbraw/zinc/29/27/51/510292751.db2.gz ANRKAVACUFKORS-GOSISDBHSA-N 0 0 373.497 2.766 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(c2ncccc2Cl)C1 ZINC000181188050 510295283 /nfs/dbraw/zinc/29/52/83/510295283.db2.gz SUBPBVXSEZITBB-BPJJOFIESA-N 0 0 359.813 2.555 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCCC(=O)N1 ZINC000194324733 510313601 /nfs/dbraw/zinc/31/36/01/510313601.db2.gz RAQQAUCEMUNVEL-CYBMUJFWSA-N 0 0 369.259 2.562 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC([C@H]2CCCO2)CC1 ZINC000187523605 510314911 /nfs/dbraw/zinc/31/49/11/510314911.db2.gz OIAHJKVWUGKSSB-WKOQKXSESA-N 0 0 370.493 2.954 20 10 FFCDRN CCn1nc(C)c(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1C ZINC000265978358 510335731 /nfs/dbraw/zinc/33/57/31/510335731.db2.gz DXGIOXHCTWAEPU-UHFFFAOYSA-N 0 0 362.499 2.599 20 10 FFCDRN COc1cc(N(C)C[C@H](O)COc2ccc(F)cc2)cc(OC)c1OC ZINC000265980406 510337962 /nfs/dbraw/zinc/33/79/62/510337962.db2.gz BJMAFVJZVYNKNW-HNNXBMFYSA-N 0 0 365.401 2.728 20 10 FFCDRN C[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000262659843 510357955 /nfs/dbraw/zinc/35/79/55/510357955.db2.gz WVXDXUAQGCTTJY-HNNXBMFYSA-N 0 0 366.465 2.555 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCC1(C)COC1 ZINC000174886285 510367650 /nfs/dbraw/zinc/36/76/50/510367650.db2.gz BOMQLERWCIDORI-UHFFFAOYSA-N 0 0 357.248 2.723 20 10 FFCDRN CC[C@@H](CSC)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000181440066 510408717 /nfs/dbraw/zinc/40/87/17/510408717.db2.gz HFUFGKIJEDXPKN-INIZCTEOSA-N 0 0 351.516 2.806 20 10 FFCDRN Cc1cc(C(=O)NCc2ccnc(-n3ccnc3)c2)c(C)n1-c1ccccn1 ZINC000194657239 510468331 /nfs/dbraw/zinc/46/83/31/510468331.db2.gz IPPCMMOLKBDBNO-UHFFFAOYSA-N 0 0 372.432 3.000 20 10 FFCDRN C[C@@H]1CN(S(=O)(=O)c2cccc3nsnc32)c2ccc(F)cc2O1 ZINC000194785778 510525370 /nfs/dbraw/zinc/52/53/70/510525370.db2.gz OJHYGUHNWAXGQL-SECBINFHSA-N 0 0 365.411 2.807 20 10 FFCDRN CC(=O)N1c2ccc(S(=O)(=O)N(C)Cc3ccccc3O)cc2C[C@H]1C ZINC000269768402 510539621 /nfs/dbraw/zinc/53/96/21/510539621.db2.gz GLFRRKOSVSOXNN-CYBMUJFWSA-N 0 0 374.462 2.510 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(OC3CCOCC3)cc2)c1O ZINC000266429727 510582076 /nfs/dbraw/zinc/58/20/76/510582076.db2.gz IHPUQEMEMQODTA-UHFFFAOYSA-N 0 0 357.406 2.889 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCC(C)(C)S(=O)(=O)CC2)c1O ZINC000194975573 510614901 /nfs/dbraw/zinc/61/49/01/510614901.db2.gz 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/nfs/dbraw/zinc/51/79/79/511517979.db2.gz DKTLBLHZGJXDBB-UHFFFAOYSA-N 0 0 360.439 2.596 20 10 FFCDRN CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000273147390 511519117 /nfs/dbraw/zinc/51/91/17/511519117.db2.gz GRBIBVCFWQBGOB-JTQLQIEISA-N 0 0 360.410 2.580 20 10 FFCDRN COC(=O)c1cnc(SC[C@H](O)COc2ccc(C(C)=O)cc2)s1 ZINC000295815656 511523727 /nfs/dbraw/zinc/52/37/27/511523727.db2.gz BUGZPBULJZTXHK-GFCCVEGCSA-N 0 0 367.448 2.664 20 10 FFCDRN CC(=O)Nc1cccc(OCC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273477871 511527630 /nfs/dbraw/zinc/52/76/30/511527630.db2.gz LHYKOBMEPLUSNB-GFCCVEGCSA-N 0 0 359.382 2.988 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464394 511527841 /nfs/dbraw/zinc/52/78/41/511527841.db2.gz IOVBNAYGSIFJDL-CXAGYDPISA-N 0 0 355.394 2.752 20 10 FFCDRN COc1ccc(O)c(C[NH2+][C@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 ZINC000280603403 511527916 /nfs/dbraw/zinc/52/79/16/511527916.db2.gz CNDBYDMMMMTGIU-KUHUBIRLSA-N 0 0 363.479 2.973 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(OCC(=O)N(C)C)cc2)c1 ZINC000273483272 511529208 /nfs/dbraw/zinc/52/92/08/511529208.db2.gz MOOQCTJYZYERCG-ZDUSSCGKSA-N 0 0 372.421 2.819 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC2CCN(C(=O)OC)CC2)cc1 ZINC000299178750 511541916 /nfs/dbraw/zinc/54/19/16/511541916.db2.gz WNNDUOWGQCAEAN-UHFFFAOYSA-N 0 0 362.474 2.563 20 10 FFCDRN C[C@@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273590180 511544612 /nfs/dbraw/zinc/54/46/12/511544612.db2.gz OWPAXJFOZANGTR-CYBMUJFWSA-N 0 0 357.410 2.896 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CCC2CCOCC2)cc1 ZINC000292412208 511587961 /nfs/dbraw/zinc/58/79/61/511587961.db2.gz JPACNNIBUQHBMF-UHFFFAOYSA-N 0 0 366.527 2.864 20 10 FFCDRN Cc1nn(C)c(/C=C2\SC(N3CCCCC3)=NC2=O)c1Br ZINC000280770946 511595775 /nfs/dbraw/zinc/59/57/75/511595775.db2.gz YYEAUZNESGNDOL-FLIBITNWSA-N 0 0 369.288 2.947 20 10 FFCDRN COC(=O)c1cc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000280839531 511623332 /nfs/dbraw/zinc/62/33/32/511623332.db2.gz VGXKXRQNSDTTTG-UHFFFAOYSA-N 0 0 357.410 2.724 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)cc1F ZINC000299450569 511640973 /nfs/dbraw/zinc/64/09/73/511640973.db2.gz UEUKFSMDCROOIM-INIZCTEOSA-N 0 0 358.417 2.869 20 10 FFCDRN Cc1cccc([C@@H](CNC(=O)NCc2ccccc2O)N2CCOCC2)c1 ZINC000299546732 511663029 /nfs/dbraw/zinc/66/30/29/511663029.db2.gz WQSDIEGRHQAILB-LJQANCHMSA-N 0 0 369.465 2.573 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccn(CC(=O)N(C)C)n2)cc1 ZINC000299680284 511667354 /nfs/dbraw/zinc/66/73/54/511667354.db2.gz OZYPWGRMRNUBEP-UHFFFAOYSA-N 0 0 365.437 2.631 20 10 FFCDRN COc1ccc(N2CCCN(c3ccccc3S(C)(=O)=O)CC2)cc1 ZINC000301328482 511695355 /nfs/dbraw/zinc/69/53/55/511695355.db2.gz JMWPVENVSUJGQZ-UHFFFAOYSA-N 0 0 360.479 2.815 20 10 FFCDRN CC(C)(C)OC(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000274068508 511709889 /nfs/dbraw/zinc/70/98/89/511709889.db2.gz KIHFUKKJJIQKPA-GFCCVEGCSA-N 0 0 370.396 2.715 20 10 FFCDRN O=C(CN1CCOCC1)Nc1ccc(N[C@H]2CCc3cccc(O)c32)cc1 ZINC000296395963 511726362 /nfs/dbraw/zinc/72/63/62/511726362.db2.gz KBUUROPERKWDBP-SFHVURJKSA-N 0 0 367.449 2.762 20 10 FFCDRN COc1ccc(O)c(CNc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c1 ZINC000281157962 511741681 /nfs/dbraw/zinc/74/16/81/511741681.db2.gz FXIDTCNLXDXOKV-LJQANCHMSA-N 0 0 356.422 2.931 20 10 FFCDRN CC(C)ONC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000296455696 511750730 /nfs/dbraw/zinc/75/07/30/511750730.db2.gz VTVPQNLQXQMQSS-UHFFFAOYSA-N 0 0 361.364 2.681 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC2(CC1)OCCCO2 ZINC000296481722 511760946 /nfs/dbraw/zinc/76/09/46/511760946.db2.gz XMYCKSWJEDLIIO-UHFFFAOYSA-N 0 0 359.470 2.725 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1CCO[C@H](C)C1 ZINC000296541263 511789992 /nfs/dbraw/zinc/78/99/92/511789992.db2.gz FEGLDBBYWZRXKF-QAPCUYQASA-N 0 0 354.516 2.860 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000296555383 511796045 /nfs/dbraw/zinc/79/60/45/511796045.db2.gz WKSDLZPGEBLOKU-FPOVZHCZSA-N 0 0 353.466 2.916 20 10 FFCDRN CC(=O)C1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000293012747 511806479 /nfs/dbraw/zinc/80/64/79/511806479.db2.gz HNPITRHOVAHVSS-UHFFFAOYSA-N 0 0 370.371 2.527 20 10 FFCDRN O=C(CCC(=O)c1ccc2c(c1)CCC(=O)N2)NCc1ccccc1O ZINC000274432762 511832394 /nfs/dbraw/zinc/83/23/94/511832394.db2.gz WCZSIZBZSNQJAC-UHFFFAOYSA-N 0 0 352.390 2.556 20 10 FFCDRN COc1ccc(CN2CCCN(Cc3cc(OC)ccc3O)CC2=O)cc1 ZINC000274435646 511833651 /nfs/dbraw/zinc/83/36/51/511833651.db2.gz RDJYMXRFCNZZJI-UHFFFAOYSA-N 0 0 370.449 2.644 20 10 FFCDRN Cc1nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c(C)o1 ZINC000293178710 511870826 /nfs/dbraw/zinc/87/08/26/511870826.db2.gz YIQSTMGJLRILDJ-TXEJJXNPSA-N 0 0 361.417 2.974 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281801078 511971737 /nfs/dbraw/zinc/97/17/37/511971737.db2.gz TUCPQZXIUXMWDN-KGLIPLIRSA-N 0 0 359.451 2.726 20 10 FFCDRN CCOc1ccc(O)c(CN2CCO[C@H](CNC(=O)OC(C)(C)C)C2)c1 ZINC000274908508 511984321 /nfs/dbraw/zinc/98/43/21/511984321.db2.gz JDRURKKLKYKAKJ-MRXNPFEDSA-N 0 0 366.458 2.516 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H](c2cccnc2)C(C)(C)CO)ccc1[N+](=O)[O-] ZINC000293529285 511998583 /nfs/dbraw/zinc/99/85/83/511998583.db2.gz BQQGELFIZPIXDQ-KRWDZBQOSA-N 0 0 361.398 2.553 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C(=O)c1cccc(O)c1O ZINC000274966713 512001296 /nfs/dbraw/zinc/00/12/96/512001296.db2.gz JWNGGOYCWYRRFK-GFCCVEGCSA-N 0 0 350.415 2.617 20 10 FFCDRN O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cccc(O)c1O ZINC000274997699 512011007 /nfs/dbraw/zinc/01/10/07/512011007.db2.gz NOBAGBUFHDDVSM-UHFFFAOYSA-N 0 0 355.394 2.656 20 10 FFCDRN CC(F)(F)CCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000297127894 512030555 /nfs/dbraw/zinc/03/05/55/512030555.db2.gz IPEICRURLUQLLD-UHFFFAOYSA-N 0 0 355.429 2.740 20 10 FFCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cccc(F)n2)cc1 ZINC000285192088 512032219 /nfs/dbraw/zinc/03/22/19/512032219.db2.gz LFPGWNAYZHRWIK-UHFFFAOYSA-N 0 0 356.401 2.965 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H]2CN(C(=O)c3cccc(O)c3O)CC[C@H]21 ZINC000293680595 512049095 /nfs/dbraw/zinc/04/90/95/512049095.db2.gz LJJAVFRCYUYNOV-GXTWGEPZSA-N 0 0 362.426 2.569 20 10 FFCDRN NC(=O)C[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000297197271 512057504 /nfs/dbraw/zinc/05/75/04/512057504.db2.gz VRPNYXJROKJWGU-IBGZPJMESA-N 0 0 366.465 2.703 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@]3(CCOC3)C2)c(C)n1-c1ccccn1 ZINC000375899498 512560256 /nfs/dbraw/zinc/56/02/56/512560256.db2.gz CFJBQKXXDMPCRM-OXQOHEQNSA-N 0 0 355.438 2.557 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)[C@@H]3C[C@H](OC)CCN3C2=O)cc1F ZINC000370105971 512769463 /nfs/dbraw/zinc/76/94/63/512769463.db2.gz SSZXLGFNTZMDOJ-PBHICJAKSA-N 0 0 363.433 2.614 20 10 FFCDRN CC(=O)OC(C)(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000372444553 512878168 /nfs/dbraw/zinc/87/81/68/512878168.db2.gz FYMAEQODHRKUTF-UHFFFAOYSA-N 0 0 370.396 2.715 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCc4nccn4C3)cc2)CC1 ZINC000372728680 513019165 /nfs/dbraw/zinc/01/91/65/513019165.db2.gz SFLSBAHGDXIJEZ-SFHVURJKSA-N 0 0 352.482 2.998 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cn1cnc2sccc2c1=O ZINC000471235726 514808435 /nfs/dbraw/zinc/80/84/35/514808435.db2.gz QIYUZXGXHMPYRN-UHFFFAOYSA-N 0 0 366.446 2.575 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cnn(CC(C)C)c1 ZINC000472809073 515406285 /nfs/dbraw/zinc/40/62/85/515406285.db2.gz MMDUHPVHGWQYBB-UHFFFAOYSA-N 0 0 367.453 2.594 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccnc(O[C@H]2CCOC2)c1 ZINC000547773129 516554399 /nfs/dbraw/zinc/55/43/99/516554399.db2.gz XFDZNJMIZSIUHC-INIZCTEOSA-N 0 0 365.433 2.979 20 10 FFCDRN Cc1nc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)co1 ZINC000518257660 516592206 /nfs/dbraw/zinc/59/22/06/516592206.db2.gz HPJVCHWYTNJHSI-UHFFFAOYSA-N 0 0 352.375 2.916 20 10 FFCDRN COc1ccc(CNC(=O)Cc2ccc(OC)c(OC(F)F)c2)c(O)c1 ZINC000529230356 517019341 /nfs/dbraw/zinc/01/93/41/517019341.db2.gz VODHKEHTPQHJIW-UHFFFAOYSA-N 0 0 367.348 2.870 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000526926570 517393220 /nfs/dbraw/zinc/39/32/20/517393220.db2.gz MTHOYNMOAMRLLH-INIZCTEOSA-N 0 0 365.481 2.994 20 10 FFCDRN CCOC[C@H]1CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CCO1 ZINC000529900750 517426467 /nfs/dbraw/zinc/42/64/67/517426467.db2.gz GHRHJVOEELNFOP-GOSISDBHSA-N 0 0 374.481 2.782 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnc(CC2CC2)nc1 ZINC000581301453 518219059 /nfs/dbraw/zinc/21/90/59/518219059.db2.gz BOVKCHCGCSUWRT-UHFFFAOYSA-N 0 0 353.426 2.926 20 10 FFCDRN CCn1ncc2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)c(C)nc21 ZINC000573065929 518489095 /nfs/dbraw/zinc/48/90/95/518489095.db2.gz LKSRJXVJGSXCOM-UHFFFAOYSA-N 0 0 365.437 2.865 20 10 FFCDRN CS[C@@H]1CCCCN(C(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000588771509 518826983 /nfs/dbraw/zinc/82/69/83/518826983.db2.gz ZAQGEELRDSBZCJ-OAHLLOKOSA-N 0 0 373.522 2.847 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1C[C@@H]2CCCC[C@H]2C1 ZINC000574718080 519296687 /nfs/dbraw/zinc/29/66/87/519296687.db2.gz QENKIDKANLULSD-HOTGVXAUSA-N 0 0 353.466 2.752 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(C(F)F)o1 ZINC000632051091 521852530 /nfs/dbraw/zinc/85/25/30/521852530.db2.gz BNTBUXNUELGWKJ-UHFFFAOYSA-N 0 0 358.366 2.871 20 10 FFCDRN COc1cc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cnc1OC ZINC000626718486 522395797 /nfs/dbraw/zinc/39/57/97/522395797.db2.gz LPDLHGKYTMOCQY-UHFFFAOYSA-N 0 0 358.398 2.596 20 10 FFCDRN CCN(Cc1ccc(OC)c(-c2nn[nH]n2)c1)c1ccc(OC)c(OC)c1 ZINC000825434819 607516935 /nfs/dbraw/zinc/51/69/35/607516935.db2.gz GHAKOXLGPZTTCD-UHFFFAOYSA-N 0 0 369.425 2.919 20 10 FFCDRN C[C@@H]([NH2+]C1CCC(NC(=O)[O-])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825472961 604356218 /nfs/dbraw/zinc/35/62/18/604356218.db2.gz MHGILTAZYHFAEV-IUDNXUCKSA-N 0 0 365.449 2.892 20 10 FFCDRN C[C@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000833812369 605599694 /nfs/dbraw/zinc/59/96/94/605599694.db2.gz IYOGZRQXOBKFFP-HOCLYGCPSA-N 0 0 365.449 2.530 20 10 FFCDRN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000834109765 605987586 /nfs/dbraw/zinc/98/75/86/605987586.db2.gz VOCJRGIKZRPRLI-VAMGGRTRSA-N 0 0 373.497 2.924 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(-c2nn[nH]n2)cs1 ZINC000823254623 606556518 /nfs/dbraw/zinc/55/65/18/606556518.db2.gz ZSQLWNCKWRGIID-UHFFFAOYSA-N 0 0 368.466 2.849 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ncc(-c3nn[nH]n3)s2)cc1 ZINC000822231772 607024165 /nfs/dbraw/zinc/02/41/65/607024165.db2.gz HAPYVEDZZIMBTF-UHFFFAOYSA-N 0 0 365.422 2.983 20 10 FFCDRN O=C(C=Cc1ccc(Cl)nc1)N1CCc2ccc(-c3nn[nH]n3)cc21 ZINC000826399614 607996402 /nfs/dbraw/zinc/99/64/02/607996402.db2.gz ALYNJIULKMAGFD-KXFIGUGUSA-N 0 0 352.785 2.518 20 10 FFCDRN CN(C)c1ccc(CNc2nc3c(cc2-c2nn[nH]n2)CCCC3)cc1F ZINC000825879743 608280018 /nfs/dbraw/zinc/28/00/18/608280018.db2.gz QMOURSKAJQCALS-UHFFFAOYSA-N 0 0 367.432 2.958 20 10 FFCDRN CCN(C(=O)C=Cc1cccnc1)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825367324 608345078 /nfs/dbraw/zinc/34/50/78/608345078.db2.gz NIHRSKWPTXFZFQ-VMPITWQZSA-N 0 0 354.801 2.981 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(-c3nn[nH]n3)cc2OC)c(OC)c1 ZINC000826209241 608374817 /nfs/dbraw/zinc/37/48/17/608374817.db2.gz SNDJQTKDKRCTEB-UHFFFAOYSA-N 0 0 355.398 2.529 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826499059 608508433 /nfs/dbraw/zinc/50/84/33/608508433.db2.gz UIWGFNANKXQMBD-INIZCTEOSA-N 0 0 366.381 2.648 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)c1 ZINC000826499060 608508563 /nfs/dbraw/zinc/50/85/63/608508563.db2.gz UIWGFNANKXQMBD-MRXNPFEDSA-N 0 0 366.381 2.648 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000152517904 728760326 /nfs/dbraw/zinc/76/03/26/728760326.db2.gz SACCTZNKIDMGGT-APWZRJJASA-N 0 0 363.527 2.915 20 10 FFCDRN CCNC(=O)NC(=O)[C@@H](C)N(Cc1cccs1)c1ccc(OC)cc1 ZINC000152802879 728766754 /nfs/dbraw/zinc/76/67/54/728766754.db2.gz CWPXCWBESGDCRZ-CYBMUJFWSA-N 0 0 361.467 2.998 20 10 FFCDRN CN(C)c1nc(CNC(=O)NCCCSc2nccs2)cs1 ZINC000154225232 728799015 /nfs/dbraw/zinc/79/90/15/728799015.db2.gz MDQIQZHAYSKJQG-UHFFFAOYSA-N 0 0 357.530 2.647 20 10 FFCDRN COCCNC(=O)c1ccc(NCCCSc2nccs2)nc1 ZINC000156408800 728850429 /nfs/dbraw/zinc/85/04/29/728850429.db2.gz XAYKZZJWBPJPFX-UHFFFAOYSA-N 0 0 352.485 2.509 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1c(F)cccc1Br ZINC000156589983 728854747 /nfs/dbraw/zinc/85/47/47/728854747.db2.gz DFPAZOPQUZHTRQ-UHFFFAOYSA-N 0 0 354.175 2.972 20 10 FFCDRN Cc1cccc([C@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000157210223 728868188 /nfs/dbraw/zinc/86/81/88/728868188.db2.gz AVHUJUMEHCMSLG-CYBMUJFWSA-N 0 0 362.451 2.606 20 10 FFCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)OCCCO ZINC000744677698 735371760 /nfs/dbraw/zinc/37/17/60/735371760.db2.gz OLQXKZCQCUYTKP-BENRWUELSA-N 0 0 371.505 2.655 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CSc2nnc3ccccn32)cc1 ZINC000007247232 727791113 /nfs/dbraw/zinc/79/11/13/727791113.db2.gz WGPIXYHHZJUBGV-UHFFFAOYSA-N 0 0 355.467 2.546 20 10 FFCDRN CCN(C(=O)c1cccc(O)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000899267019 735467914 /nfs/dbraw/zinc/46/79/14/735467914.db2.gz IJJAZCHZIVRYKC-LBPRGKRZSA-N 0 0 350.415 2.569 20 10 FFCDRN CCNC(=O)NC(=O)[C@@H](C)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000029923119 727899310 /nfs/dbraw/zinc/89/93/10/727899310.db2.gz INZHRYJTJMYYKK-SNVBAGLBSA-N 0 0 359.348 2.572 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2C)c(C)n1-c1ccccc1C ZINC000899450386 735495751 /nfs/dbraw/zinc/49/57/51/735495751.db2.gz GRCZYGGOSKLPGF-DYVFJYSZSA-N 0 0 360.479 2.565 20 10 FFCDRN O=CNc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000072982442 728215903 /nfs/dbraw/zinc/21/59/03/728215903.db2.gz ORJCSKJSQGTQJB-UHFFFAOYSA-N 0 0 355.463 2.738 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1CCCOC1 ZINC000074132116 728232079 /nfs/dbraw/zinc/23/20/79/728232079.db2.gz QUPUHPZRZGBMKB-CYBMUJFWSA-N 0 0 357.248 2.865 20 10 FFCDRN CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](C)Sc3ccccc32)c1 ZINC000088224566 728435546 /nfs/dbraw/zinc/43/55/46/728435546.db2.gz RMHVBXMZVVHTRY-SBDDDAINSA-N 0 0 353.447 2.982 20 10 FFCDRN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccc(Cl)c1 ZINC000097681257 728483520 /nfs/dbraw/zinc/48/35/20/728483520.db2.gz JMIOBTVWJXZBKV-UHFFFAOYSA-N 0 0 364.854 2.827 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC(=O)Nc1cccnc1 ZINC000101528445 728485687 /nfs/dbraw/zinc/48/56/87/728485687.db2.gz XFADMJHEHVRPID-UHFFFAOYSA-N 0 0 354.435 2.919 20 10 FFCDRN CC(=O)c1csc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000106624995 728511585 /nfs/dbraw/zinc/51/15/85/728511585.db2.gz XZNIKWTZAXHLFV-UHFFFAOYSA-N 0 0 362.426 2.856 20 10 FFCDRN CCOc1ncccc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000108197130 728520403 /nfs/dbraw/zinc/52/04/03/728520403.db2.gz PHDAASQNCJBDJF-UHFFFAOYSA-N 0 0 357.479 2.964 20 10 FFCDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(O)c1O ZINC000110526265 728532413 /nfs/dbraw/zinc/53/24/13/728532413.db2.gz FCMVLKMVRLCJOI-VIFPVBQESA-N 0 0 350.758 2.639 20 10 FFCDRN CCCCn1nc(C)c(/C=C2/SC(N3CCOCC3)=NC2=O)c1Cl ZINC000747147995 735538598 /nfs/dbraw/zinc/53/85/98/735538598.db2.gz MQSQNQKYVLGKEX-JLHYYAGUSA-N 0 0 368.890 2.948 20 10 FFCDRN C[C@H](CC(=O)NCCCSc1nccs1)NC(=O)C1CCCC1 ZINC000114374178 728559563 /nfs/dbraw/zinc/55/95/63/728559563.db2.gz UCYXHGFSXGIMAC-GFCCVEGCSA-N 0 0 355.529 2.827 20 10 FFCDRN C[C@@H](NC(=O)CSc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000115948864 728568698 /nfs/dbraw/zinc/56/86/98/728568698.db2.gz ZLLXJJZRFPDTIX-OAHLLOKOSA-N 0 0 357.479 2.888 20 10 FFCDRN C[C@H](O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000120785717 728615547 /nfs/dbraw/zinc/61/55/47/728615547.db2.gz DNERXIXOSOJSOK-DOTOQJQBSA-N 0 0 363.527 2.542 20 10 FFCDRN COc1cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c(O)c(C(C)(C)C)c1 ZINC000122369975 728646888 /nfs/dbraw/zinc/64/68/88/728646888.db2.gz GWOWFFHDFFJOOR-OAHLLOKOSA-N 0 0 367.511 2.850 20 10 FFCDRN O=C(CN1CCN(Cc2cc(Cl)ccc2O)CC1)Nc1ccccc1 ZINC000124708553 728673390 /nfs/dbraw/zinc/67/33/90/728673390.db2.gz GBBWNIVZFPPENO-UHFFFAOYSA-N 0 0 359.857 2.802 20 10 FFCDRN CC(C)(C)C[C@H](CO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000128456031 728708819 /nfs/dbraw/zinc/70/88/19/728708819.db2.gz FRJJMAMIAFUOEV-MRXNPFEDSA-N 0 0 365.543 2.836 20 10 FFCDRN Cc1ccc(C(N)=O)cc1NC(=O)NCCCSc1nccs1 ZINC000130453958 728718126 /nfs/dbraw/zinc/71/81/26/728718126.db2.gz UPPVYCULONSPGB-UHFFFAOYSA-N 0 0 350.469 2.854 20 10 FFCDRN O=C1[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C1CCCCC1 ZINC000131555384 728722528 /nfs/dbraw/zinc/72/25/28/728722528.db2.gz VVHDMHYAANDOOE-AWEZNQCLSA-N 0 0 367.833 2.977 20 10 FFCDRN Cc1cncc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000133489721 728727065 /nfs/dbraw/zinc/72/70/65/728727065.db2.gz OTJIZIWZKDIMPB-UHFFFAOYSA-N 0 0 356.495 2.943 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCCc3nccs3)CC2)cc1 ZINC000171072767 728996331 /nfs/dbraw/zinc/99/63/31/728996331.db2.gz FGKQSKBOQJZAGL-UHFFFAOYSA-N 0 0 360.483 2.662 20 10 FFCDRN CC(C)NC(=O)CSc1ccccc1C(=O)N1CCSC[C@@H]1C ZINC000172519956 729027794 /nfs/dbraw/zinc/02/77/94/729027794.db2.gz BXZWKLAGFXTSOZ-ZDUSSCGKSA-N 0 0 352.525 2.881 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)C[C@H]2C)c(C)n1-c1ccccc1C ZINC000172559197 729028136 /nfs/dbraw/zinc/02/81/36/729028136.db2.gz WMSHQKBYSPNTLO-OAHLLOKOSA-N 0 0 360.479 2.662 20 10 FFCDRN CC[N@H+](Cc1cc(Br)ccc1O)[C@H]1CCN(C(C)C)C1=O ZINC000175285487 729092761 /nfs/dbraw/zinc/09/27/61/729092761.db2.gz CNBPPEHVQZEMQL-AWEZNQCLSA-N 0 0 355.276 2.986 20 10 FFCDRN Cc1cc(C(F)(F)F)nn1CCNC(=O)N(C)Cc1ccccc1O ZINC000924376159 738407306 /nfs/dbraw/zinc/40/73/06/738407306.db2.gz LDVMGGYWOBPURD-UHFFFAOYSA-N 0 0 356.348 2.758 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(Cc3ccccn3)CC2)c1O ZINC000177238949 729132545 /nfs/dbraw/zinc/13/25/45/729132545.db2.gz BLFJOPSZFJCDHO-UHFFFAOYSA-N 0 0 359.857 2.961 20 10 FFCDRN CC(C)S(=O)(=O)c1ccc(CC(=O)N(C)Cc2ccccc2O)cc1 ZINC000182157739 729270509 /nfs/dbraw/zinc/27/05/09/729270509.db2.gz ZYPRJWWZWWPCAZ-UHFFFAOYSA-N 0 0 361.463 2.775 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000182597993 729282360 /nfs/dbraw/zinc/28/23/60/729282360.db2.gz WBVXSKOWUXGUKY-UHFFFAOYSA-N 0 0 362.451 2.692 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)c(C)o1 ZINC000183094605 729295262 /nfs/dbraw/zinc/29/52/62/729295262.db2.gz WBGWIPOPOZJYOQ-UHFFFAOYSA-N 0 0 366.508 2.928 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(-c2nc(CCc3ccccc3)no2)c1 ZINC000184864831 729335347 /nfs/dbraw/zinc/33/53/47/729335347.db2.gz SIWUMHYSJLLUGX-UHFFFAOYSA-N 0 0 359.407 2.599 20 10 FFCDRN Cc1cnc([C@H](NCC(=O)NCc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000185335917 729346957 /nfs/dbraw/zinc/34/69/57/729346957.db2.gz MXJKKTUFRCSRBL-GOSISDBHSA-N 0 0 358.511 2.875 20 10 FFCDRN CC(C)C[C@]1(CO)CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000190427212 729408273 /nfs/dbraw/zinc/40/82/73/729408273.db2.gz DZWSJNIJEDVROX-IBGZPJMESA-N 0 0 351.466 2.974 20 10 FFCDRN CC(=O)CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000194526783 729512842 /nfs/dbraw/zinc/51/28/42/729512842.db2.gz QGXMJNXRQCYMLK-UHFFFAOYSA-N 0 0 358.360 2.527 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000246246728 729583204 /nfs/dbraw/zinc/58/32/04/729583204.db2.gz XXSRNYNZFLZVBX-YNEHKIRRSA-N 0 0 353.513 2.882 20 10 FFCDRN Cc1ncc(/C=C\C(=O)N(CCN2CCOCC2)c2ccccc2)s1 ZINC000255080969 729631307 /nfs/dbraw/zinc/63/13/07/729631307.db2.gz FEXNNWIPRHWPSK-FPLPWBNLSA-N 0 0 357.479 2.830 20 10 FFCDRN Cc1cccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)c1C ZINC000255903904 729649030 /nfs/dbraw/zinc/64/90/30/729649030.db2.gz XACNMPJUDQJZGO-FOWTUZBSSA-N 0 0 362.520 2.837 20 10 FFCDRN CN(C)c1cc(F)c(CNCCS(=O)(=O)Cc2ccccc2)cc1F ZINC000858109019 730416851 /nfs/dbraw/zinc/41/68/51/730416851.db2.gz LVYQCPJCLGEBRN-UHFFFAOYSA-N 0 0 368.449 2.735 20 10 FFCDRN COc1ccccc1[C@H](CO)NCc1c(O)cccc1Br ZINC000858139626 730417514 /nfs/dbraw/zinc/41/75/14/730417514.db2.gz XHJABMLJZQJYGQ-AWEZNQCLSA-N 0 0 352.228 2.987 20 10 FFCDRN Cc1[nH]c(C(=O)NCc2ccc(N3CCSCC3)cc2)c(C)c1C=O ZINC000858590390 730429359 /nfs/dbraw/zinc/42/93/59/730429359.db2.gz WCIUNPVRYXIPAQ-UHFFFAOYSA-N 0 0 357.479 2.927 20 10 FFCDRN Cc1ncc(S(=O)(=O)Oc2ccc3c(c2)c2c(n3C)CCCC2)n1C ZINC000859204746 730445318 /nfs/dbraw/zinc/44/53/18/730445318.db2.gz YSJAIJYYIPWGLK-UHFFFAOYSA-N 0 0 359.451 2.867 20 10 FFCDRN COC[C@H](C)CS(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000859363213 730452017 /nfs/dbraw/zinc/45/20/17/730452017.db2.gz SYJXBTVASWITQL-AWEZNQCLSA-N 0 0 350.484 2.796 20 10 FFCDRN COC1CC(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000859675705 730462639 /nfs/dbraw/zinc/46/26/39/730462639.db2.gz NKIVQRLIOZDZGT-MFOWVQHXSA-N 0 0 354.397 2.798 20 10 FFCDRN C[C@@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000860317661 730501238 /nfs/dbraw/zinc/50/12/38/730501238.db2.gz DPULDQVQEKYMPT-LBPRGKRZSA-N 0 0 360.376 2.843 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2c(C)nc3sccn32)cc1 ZINC000862129231 730668996 /nfs/dbraw/zinc/66/89/96/730668996.db2.gz NGNCJKBAQRRZCO-UHFFFAOYSA-N 0 0 358.467 2.921 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)cc1F ZINC000862243019 730680774 /nfs/dbraw/zinc/68/07/74/730680774.db2.gz ANTHCRGRUPCCBG-DOTOQJQBSA-N 0 0 358.454 2.572 20 10 FFCDRN CO[C@@H]1CC[C@H]2OCCN(Cc3c(O)cccc3Br)[C@@H]2C1 ZINC000862252754 730682397 /nfs/dbraw/zinc/68/23/97/730682397.db2.gz GRGMOOAUUVZMPT-DJSGYFEHSA-N 0 0 356.260 2.923 20 10 FFCDRN CCOC(=O)[C@@H](NC(=O)C1=CC(=O)CS1)[C@H](O)c1ccc(Cl)cc1 ZINC000862334004 730689247 /nfs/dbraw/zinc/68/92/47/730689247.db2.gz QSRSPBIMOHFCHX-UONOGXRCSA-N 0 0 369.826 2.502 20 10 FFCDRN C[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@]2(CCCOC2)O1 ZINC000862352592 730690824 /nfs/dbraw/zinc/69/08/24/730690824.db2.gz FIYMMCRYFJEINZ-MLGOLLRUSA-N 0 0 356.260 2.925 20 10 FFCDRN COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(Br)ccc1O ZINC000862516422 730706102 /nfs/dbraw/zinc/70/61/02/730706102.db2.gz QYTMTUFHTKRIRT-FZMZJTMJSA-N 0 0 372.259 2.603 20 10 FFCDRN COC(=O)[C@@]1(OC)CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1 ZINC000862739948 730722881 /nfs/dbraw/zinc/72/28/81/730722881.db2.gz CYVLTQRGESLURM-GOSISDBHSA-N 0 0 362.451 2.560 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)CC(F)(F)CNC(=O)OC(C)(C)C)c1 ZINC000862754362 730723390 /nfs/dbraw/zinc/72/33/90/730723390.db2.gz BLNLWMXPAQKNIJ-UHFFFAOYSA-N 0 0 358.385 2.867 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2[nH]nc(C3CC3)c2Br)c1 ZINC000862758741 730723727 /nfs/dbraw/zinc/72/37/27/730723727.db2.gz JBTWOYNQWVNVAR-UHFFFAOYSA-N 0 0 350.216 2.994 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C[C@H](C)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000862760997 730724004 /nfs/dbraw/zinc/72/40/04/730724004.db2.gz ZMHURADXJIQTBI-ZDUSSCGKSA-N 0 0 365.426 2.708 20 10 FFCDRN Cc1csc([C@](O)(CC(=O)NCc2cc(C)ccc2O)C(F)(F)F)n1 ZINC000862759181 730724050 /nfs/dbraw/zinc/72/40/50/730724050.db2.gz XYENJABMZSYMNT-OAHLLOKOSA-N 0 0 374.384 2.922 20 10 FFCDRN COc1cc(NS(=O)(=O)C[C@H](Cc2ccc(F)cc2)OC)ccc1O ZINC000863407617 730777542 /nfs/dbraw/zinc/77/75/42/730777542.db2.gz FDJUDFGOYCEMCX-HNNXBMFYSA-N 0 0 369.414 2.539 20 10 FFCDRN O=C1/C(=C/c2cn(C[C@H]3CCOC3)nn2)SC(=S)N1c1ccccc1 ZINC000865214581 730924805 /nfs/dbraw/zinc/92/48/05/730924805.db2.gz BZTLHWJOGUNJHD-PWDRSIHYSA-N 0 0 372.475 2.720 20 10 FFCDRN CC(F)(F)CCS(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000866829692 731105779 /nfs/dbraw/zinc/10/57/79/731105779.db2.gz YMQUXACXYAVCSN-AWEZNQCLSA-N 0 0 363.426 2.748 20 10 FFCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CS(=O)(=O)C1 ZINC000867222915 731157118 /nfs/dbraw/zinc/15/71/18/731157118.db2.gz PEUGMHCRCAPZQO-AWEZNQCLSA-N 0 0 359.447 2.527 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)C[C@H]3CCC(F)(F)C3)C2)cc1 ZINC000867496658 731191955 /nfs/dbraw/zinc/19/19/55/731191955.db2.gz GSHYONNYHBORPD-KBPBESRZSA-N 0 0 374.453 2.629 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCc1ccnc(F)c1 ZINC000868116386 731260539 /nfs/dbraw/zinc/26/05/39/731260539.db2.gz KFCNVCJRQLABQH-UHFFFAOYSA-N 0 0 360.458 2.773 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1scnc1C(F)F ZINC000869295170 731384128 /nfs/dbraw/zinc/38/41/28/731384128.db2.gz MONFVLOEYZFOIF-UHFFFAOYSA-N 0 0 367.421 2.972 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)N[C@@H](Cc3cncs3)C2=O)cc1 ZINC000871893140 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COc1ccc(N(C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1OC ZINC000877341637 732346931 /nfs/dbraw/zinc/34/69/31/732346931.db2.gz CQAMGADIKAIYMC-UHFFFAOYSA-N 0 0 370.858 2.641 20 10 FFCDRN CCOC(=O)c1ccc(C[NH2+]Cc2cccc(Br)c2[O-])[nH]1 ZINC000877479808 732369923 /nfs/dbraw/zinc/36/99/23/732369923.db2.gz YEAUDSXIHSQQOS-UHFFFAOYSA-N 0 0 353.216 2.949 20 10 FFCDRN CSc1ccccc1COC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000781237391 738609962 /nfs/dbraw/zinc/60/99/62/738609962.db2.gz VZUYBZPRLOPNKD-UHFFFAOYSA-N 0 0 367.448 2.843 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)O2)c1O ZINC000926411531 738612456 /nfs/dbraw/zinc/61/24/56/738612456.db2.gz MKIZXDQBMMHNTF-AAEUAGOBSA-N 0 0 362.348 2.700 20 10 FFCDRN COCCN(Cc1nccn1CC(F)F)c1ccc(OC)c(OC)c1 ZINC000878255388 732505302 /nfs/dbraw/zinc/50/53/02/732505302.db2.gz HJYZBEGGXSQRBN-UHFFFAOYSA-N 0 0 355.385 2.818 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1c[nH]cc(C)c1=O ZINC000781428487 738626970 /nfs/dbraw/zinc/62/69/70/738626970.db2.gz UWIHSYGAZZNMOF-UHFFFAOYSA-N 0 0 365.227 2.814 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCO[C@]3(CCOC3)C2)c1 ZINC000781635599 738643680 /nfs/dbraw/zinc/64/36/80/738643680.db2.gz KIXAYROAOTZHAW-CZUORRHYSA-N 0 0 356.260 2.891 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccn(C3CCSCC3)n2)c1O ZINC000880352950 732895635 /nfs/dbraw/zinc/89/56/35/732895635.db2.gz XAMVXLWBKCPCQT-UHFFFAOYSA-N 0 0 362.455 2.987 20 10 FFCDRN CCOC(=O)N1CCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC000781901413 738669548 /nfs/dbraw/zinc/66/95/48/738669548.db2.gz SJFAFDCKWCUONX-UHFFFAOYSA-N 0 0 357.248 2.737 20 10 FFCDRN O=S(=O)(NC1CCCC1)[C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000781920047 738673026 /nfs/dbraw/zinc/67/30/26/738673026.db2.gz ICFGMQNIAKKWAL-CQSZACIVSA-N 0 0 372.918 2.872 20 10 FFCDRN O=c1[nH]cnc2ccc(NCc3ccc(N4CCSCC4)cc3)nc21 ZINC000881819910 733114652 /nfs/dbraw/zinc/11/46/52/733114652.db2.gz PEPCTJDIZFHDQN-UHFFFAOYSA-N 0 0 353.451 2.896 20 10 FFCDRN C[S@@](=O)(=NS(=O)(=O)Nc1ccc(O)cc1F)C1CCCCC1 ZINC000882712782 733276976 /nfs/dbraw/zinc/27/69/76/733276976.db2.gz 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353.260 2.845 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@H](C(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000739757225 735058683 /nfs/dbraw/zinc/05/86/83/735058683.db2.gz CKXYKOIAEPRHDW-AWEZNQCLSA-N 0 0 353.344 2.892 20 10 FFCDRN CC[C@@H](C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000739962694 735063852 /nfs/dbraw/zinc/06/38/52/735063852.db2.gz OFRJBAZJNGFDPC-CZUORRHYSA-N 0 0 374.934 2.976 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CC[C@H](c3noc(C)n3)C2)c1O ZINC000896240243 735123799 /nfs/dbraw/zinc/12/37/99/735123799.db2.gz PDWNUPCPHVCCKF-JTQLQIEISA-N 0 0 368.231 2.844 20 10 FFCDRN CCc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)on1 ZINC000741272351 735129708 /nfs/dbraw/zinc/12/97/08/735129708.db2.gz YXPORPUVGKFRRF-UHFFFAOYSA-N 0 0 360.483 2.790 20 10 FFCDRN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000741648483 735153994 /nfs/dbraw/zinc/15/39/94/735153994.db2.gz JTMXKFXSBSNUJW-UHFFFAOYSA-N 0 0 372.368 2.741 20 10 FFCDRN Cc1cc(Br)cc(C[NH+]2CCC3(CCNC(=O)O3)CC2)c1O ZINC000897012726 735191922 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Cc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000900254119 735619862 /nfs/dbraw/zinc/61/98/62/735619862.db2.gz CAKCAVTVJWNRCY-UHFFFAOYSA-N 0 0 350.875 2.855 20 10 FFCDRN O=C(COc1ccc(F)cc1Br)NCc1ccccc1O ZINC000748353511 735637738 /nfs/dbraw/zinc/63/77/38/735637738.db2.gz ARSUJOMFSBIXLR-UHFFFAOYSA-N 0 0 354.175 2.989 20 10 FFCDRN CNC(=O)Cc1nc(CN(Cc2ccc(N(C)C)cc2)C(C)C)cs1 ZINC000749196776 735703470 /nfs/dbraw/zinc/70/34/70/735703470.db2.gz XZOJBUSHWBWQNX-UHFFFAOYSA-N 0 0 360.527 2.908 20 10 FFCDRN Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)sn1 ZINC000749240016 735707220 /nfs/dbraw/zinc/70/72/20/735707220.db2.gz NXJHCVOIYOCBJN-UHFFFAOYSA-N 0 0 360.483 2.982 20 10 FFCDRN CCOc1cccc(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000749731412 735742855 /nfs/dbraw/zinc/74/28/55/735742855.db2.gz ORDDRDSISUFNHK-UHFFFAOYSA-N 0 0 365.480 2.779 20 10 FFCDRN CCn1c(Br)ncc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000901128028 735747029 /nfs/dbraw/zinc/74/70/29/735747029.db2.gz SZCWUENMKHTOHM-VIFPVBQESA-N 0 0 368.231 2.871 20 10 FFCDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c(O)c1O ZINC000750621853 735804943 /nfs/dbraw/zinc/80/49/43/735804943.db2.gz LJZCLBQTLVGAPW-VIFPVBQESA-N 0 0 351.305 2.868 20 10 FFCDRN Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2F)c(O)c1O ZINC000750622293 735805334 /nfs/dbraw/zinc/80/53/34/735805334.db2.gz OTIFFTRFCMHMNC-UHFFFAOYSA-N 0 0 353.733 2.994 20 10 FFCDRN COC(=O)CCCS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000751137688 735848315 /nfs/dbraw/zinc/84/83/15/735848315.db2.gz UUZQYWWZFGWULU-UHFFFAOYSA-N 0 0 369.483 2.810 20 10 FFCDRN CC(C)CS(=O)(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000751360656 735866033 /nfs/dbraw/zinc/86/60/33/735866033.db2.gz OCIUGNMCQWFZHG-HNNXBMFYSA-N 0 0 360.907 2.585 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(OC)c(C)c2C)c1 ZINC000751415743 735871727 /nfs/dbraw/zinc/87/17/27/735871727.db2.gz WCSRZNQPHDZBLV-UHFFFAOYSA-N 0 0 351.424 2.505 20 10 FFCDRN CC[C@H](C)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000751647092 735902887 /nfs/dbraw/zinc/90/28/87/735902887.db2.gz XHTNZXSYPLYJBH-RRFJBIMHSA-N 0 0 352.450 2.871 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)OCCOC[C@@H]3CCCO3)cs2)cc1 ZINC000751931993 735937221 /nfs/dbraw/zinc/93/72/21/735937221.db2.gz RFFZZFNLUBEHKP-HNNXBMFYSA-N 0 0 362.451 2.669 20 10 FFCDRN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270260 739226118 /nfs/dbraw/zinc/22/61/18/739226118.db2.gz QTAHOWZKDSDAGT-GMSGAONNSA-N 0 0 365.065 2.872 20 10 FFCDRN CC(C)(C)OC(=O)N1CC(C(=O)NCCCSc2nccs2)C1 ZINC000752352647 735979738 /nfs/dbraw/zinc/97/97/38/735979738.db2.gz UUZDJJIKQJXNTC-UHFFFAOYSA-N 0 0 357.501 2.608 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1c([O-])cccc1F ZINC000903172747 736047671 /nfs/dbraw/zinc/04/76/71/736047671.db2.gz CVLUNRLFTMIVAA-ZDUSSCGKSA-N 0 0 366.458 2.774 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCCS1 ZINC000753255186 736049438 /nfs/dbraw/zinc/04/94/38/736049438.db2.gz KGGBOYXYMRYWNL-SFHVURJKSA-N 0 0 363.527 2.950 20 10 FFCDRN CC1(CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCOCC1 ZINC000753351374 736058863 /nfs/dbraw/zinc/05/88/63/736058863.db2.gz VCMXPMNNMVCNHT-UHFFFAOYSA-N 0 0 363.527 2.856 20 10 FFCDRN COc1nn(C)cc1CN[C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000903337511 736077198 /nfs/dbraw/zinc/07/71/98/736077198.db2.gz VVSKESSXJVMVHI-CYBMUJFWSA-N 0 0 364.877 2.770 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1cc(F)cc(F)c1[O-] ZINC000903433769 736093498 /nfs/dbraw/zinc/09/34/98/736093498.db2.gz FBERZJAYGCZPIB-SCZZXKLOSA-N 0 0 370.787 2.749 20 10 FFCDRN O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCSCC3)cc2)C12CCC2 ZINC000904209237 736233981 /nfs/dbraw/zinc/23/39/81/736233981.db2.gz GRKBNHPIRZGUBR-IAGOWNOFSA-N 0 0 361.511 2.908 20 10 FFCDRN Nc1ccc(Cc2noc(C3(n4cc(Br)cn4)CC3)n2)cc1 ZINC000904505549 736256223 /nfs/dbraw/zinc/25/62/23/736256223.db2.gz YQUJUXVNXORZQC-UHFFFAOYSA-N 0 0 360.215 2.739 20 10 FFCDRN C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)cc(F)c1[O-] ZINC000756535135 736339866 /nfs/dbraw/zinc/33/98/66/736339866.db2.gz OTEPFMNRANBRSA-MNOVXSKESA-N 0 0 361.255 2.665 20 10 FFCDRN CCc1nncn1CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756620576 736347775 /nfs/dbraw/zinc/34/77/75/736347775.db2.gz KWTLBSFWKOCSKX-VIFPVBQESA-N 0 0 357.227 2.799 20 10 FFCDRN O=C(c1cccc(O)c1O)N(CCO)Cc1cc(Br)cs1 ZINC000757648365 736415858 /nfs/dbraw/zinc/41/58/58/736415858.db2.gz DIQLPTBJLVIOHT-UHFFFAOYSA-N 0 0 372.240 2.557 20 10 FFCDRN Cc1nnc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1 ZINC000758353283 736478227 /nfs/dbraw/zinc/47/82/27/736478227.db2.gz CFLUIEAFLQWTHR-UHFFFAOYSA-N 0 0 368.409 2.847 20 10 FFCDRN O=C(COC(=O)c1cccc(O)c1O)c1ccc(Br)cc1 ZINC000758560414 736501449 /nfs/dbraw/zinc/50/14/49/736501449.db2.gz KOSTVKHYGJRTJE-UHFFFAOYSA-N 0 0 351.152 2.900 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1ccccc1[N+](=O)[O-] ZINC000759024504 736541810 /nfs/dbraw/zinc/54/18/10/736541810.db2.gz OCGZLZSTIYNSTN-UHFFFAOYSA-N 0 0 363.439 2.589 20 10 FFCDRN COc1cc(N2CCN(C(=O)CSC(C)C)CC2)cc(OC)c1OC ZINC000759242227 736556320 /nfs/dbraw/zinc/55/63/20/736556320.db2.gz VKHBVJHERRVOSQ-UHFFFAOYSA-N 0 0 368.499 2.503 20 10 FFCDRN CCCSCC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000759240628 736556372 /nfs/dbraw/zinc/55/63/72/736556372.db2.gz VOPXLIJQOOMQPT-UHFFFAOYSA-N 0 0 368.499 2.504 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2nn(C(C)C)cc2Br)c1 ZINC000907059400 736578082 /nfs/dbraw/zinc/57/80/82/736578082.db2.gz CMJGWNMTAXYAEE-UHFFFAOYSA-N 0 0 368.231 2.871 20 10 FFCDRN C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@H](C(F)(F)F)O1 ZINC000759602346 736580034 /nfs/dbraw/zinc/58/00/34/736580034.db2.gz SZCMMAFJYQBMNE-VHSXEESVSA-N 0 0 369.434 2.987 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000907289842 736607176 /nfs/dbraw/zinc/60/71/76/736607176.db2.gz PWCQVBXWBZWJTA-NEPJUHHUSA-N 0 0 361.419 2.523 20 10 FFCDRN COc1cc(Cl)cc(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)c1O ZINC000761202851 736707104 /nfs/dbraw/zinc/70/71/04/736707104.db2.gz PLDKKQDAYLLICJ-AWEZNQCLSA-N 0 0 357.834 2.597 20 10 FFCDRN Cc1cc(C)c(CC(=O)NCc2cc(Br)ccc2O)c(=O)[nH]1 ZINC000908170516 736731283 /nfs/dbraw/zinc/73/12/83/736731283.db2.gz PWDBFCHFSHRXLF-UHFFFAOYSA-N 0 0 365.227 2.731 20 10 FFCDRN COC(=O)c1cc(Cl)cc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000761649408 736751052 /nfs/dbraw/zinc/75/10/52/736751052.db2.gz HIMNPSCYUOKKJX-UHFFFAOYSA-N 0 0 364.785 2.902 20 10 FFCDRN CO[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1(C)C ZINC000761992989 736780125 /nfs/dbraw/zinc/78/01/25/736780125.db2.gz JEMSSICREJMGKR-KGLIPLIRSA-N 0 0 352.818 2.623 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)COc1ccsc1 ZINC000800530522 740532008 /nfs/dbraw/zinc/53/20/08/740532008.db2.gz LCEBKQIPGIKUFC-UHFFFAOYSA-N 0 0 369.826 2.688 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Br)c(F)c1 ZINC000763106014 736902567 /nfs/dbraw/zinc/90/25/67/736902567.db2.gz DJCZTEFSOXKXIS-WQLSENKSSA-N 0 0 371.231 2.891 20 10 FFCDRN C[C@@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(Br)c1O ZINC000764797703 737050441 /nfs/dbraw/zinc/05/04/41/737050441.db2.gz MDKHFJAMXHLGQT-WDEREUQCSA-N 0 0 357.248 2.769 20 10 FFCDRN O=C(N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1=CC(=O)CS1 ZINC000765417495 737116994 /nfs/dbraw/zinc/11/69/94/737116994.db2.gz IGFHWEAHPXDJQS-LBPRGKRZSA-N 0 0 354.790 2.782 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@H]2CCO)c(C)n1-c1cccc(Cl)c1 ZINC000765432224 737118671 /nfs/dbraw/zinc/11/86/71/737118671.db2.gz YPUULUQJXRMTGW-QGZVFWFLSA-N 0 0 362.857 2.971 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)C(=O)Nc1ccccc1F ZINC000765925494 737172545 /nfs/dbraw/zinc/17/25/45/737172545.db2.gz GTQKXGCDCXCEOE-UHFFFAOYSA-N 0 0 367.174 2.549 20 10 FFCDRN COc1ccc(N2CCC(NCc3n[nH]cc3Br)CC2)cc1 ZINC000766085851 737192443 /nfs/dbraw/zinc/19/24/43/737192443.db2.gz VSPZYGJVDLDETO-UHFFFAOYSA-N 0 0 365.275 2.939 20 10 FFCDRN O=S(=O)(NCc1cccc(Br)c1O)c1cccc(F)c1 ZINC000766202305 737207086 /nfs/dbraw/zinc/20/70/86/737207086.db2.gz ZPAIXUWRNUQCBE-UHFFFAOYSA-N 0 0 360.204 2.772 20 10 FFCDRN CC(C)(C)S(=O)(=O)CC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000767339157 737316451 /nfs/dbraw/zinc/31/64/51/737316451.db2.gz LHXVEZYUJPMBAP-UHFFFAOYSA-N 0 0 352.500 2.506 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)Cc2noc3c2CCCC3)cc1 ZINC000913860393 737459783 /nfs/dbraw/zinc/45/97/83/737459783.db2.gz JLWLMXYNXVFHHW-UHFFFAOYSA-N 0 0 363.483 2.581 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1noc2c1CCCC2 ZINC000914118964 737510483 /nfs/dbraw/zinc/51/04/83/737510483.db2.gz BRNYGZJYHAXWTB-UHFFFAOYSA-N 0 0 363.483 2.547 20 10 FFCDRN O=S1(=O)CCN(Cc2cc(Br)ccc2O)[C@@H]2CCCC[C@H]21 ZINC000769411792 737525717 /nfs/dbraw/zinc/52/57/17/737525717.db2.gz KYKVNUVDSKRPBB-UKRRQHHQSA-N 0 0 374.300 2.696 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)O[C@@H]1CCOC1 ZINC000914199377 737526693 /nfs/dbraw/zinc/52/66/93/737526693.db2.gz HMTYYOJTPXFLDD-IUODEOHRSA-N 0 0 356.369 2.772 20 10 FFCDRN CCC1(CC)CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[S@@]1=O ZINC000769558951 737541888 /nfs/dbraw/zinc/54/18/88/737541888.db2.gz YVKLYTNKPFNOGF-VWLOTQADSA-N 0 0 368.518 2.785 20 10 FFCDRN COc1c(Cl)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769720816 737557609 /nfs/dbraw/zinc/55/76/09/737557609.db2.gz WKCVHFMTFOODIM-UHFFFAOYSA-N 0 0 370.814 2.678 20 10 FFCDRN CO[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(C)C ZINC000769863851 737575289 /nfs/dbraw/zinc/57/52/89/737575289.db2.gz AWTVXHUBNSAAEA-LBTNJELSSA-N 0 0 352.450 2.727 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)cnc1Cl ZINC000770625506 737646531 /nfs/dbraw/zinc/64/65/31/737646531.db2.gz QLHUQKPLKNVTMZ-UHFFFAOYSA-N 0 0 371.618 2.881 20 10 FFCDRN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1nccs1 ZINC000770628963 737647016 /nfs/dbraw/zinc/64/70/16/737647016.db2.gz IAGRZOWYRXYIQA-CYBMUJFWSA-N 0 0 351.859 2.897 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)CS(=O)(=O)CC(C)C)cc1 ZINC000915683636 737648410 /nfs/dbraw/zinc/64/84/10/737648410.db2.gz CFSSTTWLBLMMMY-UHFFFAOYSA-N 0 0 354.516 2.562 20 10 FFCDRN COC(=O)C[C@@]1([NH2+]Cc2cc(C)cc(Br)c2[O-])CCCOC1 ZINC000770677780 737652127 /nfs/dbraw/zinc/65/21/27/737652127.db2.gz MBGUEWDONCRPAY-INIZCTEOSA-N 0 0 372.259 2.665 20 10 FFCDRN C[C@@H]1C[C@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000770757501 737660304 /nfs/dbraw/zinc/66/03/04/737660304.db2.gz VCMIWZHAZNKVLD-NVXWUHKLSA-N 0 0 363.527 2.854 20 10 FFCDRN COC[C@H](C)CS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000771566213 737736045 /nfs/dbraw/zinc/73/60/45/737736045.db2.gz HTNFYRFFCALJDJ-INIZCTEOSA-N 0 0 354.516 2.721 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1cccc2c1OCCO2)c1ccc(N(C)C)cc1 ZINC000773087786 737870126 /nfs/dbraw/zinc/87/01/26/737870126.db2.gz KQXKAEJOASKYSX-CYBMUJFWSA-N 0 0 362.451 2.563 20 10 FFCDRN CCN1C(=O)/C(=C\c2cc3c(cc2OCCOC)OCO3)SC1=S ZINC000920755958 737925143 /nfs/dbraw/zinc/92/51/43/737925143.db2.gz VIEUSICTAGEETE-VGOFMYFVSA-N 0 0 367.448 2.662 20 10 FFCDRN C[C@@H](NC(=O)c1ccc([N+](=O)[O-])s1)c1ccc(N2CCOCC2)cc1 ZINC000920880904 737932540 /nfs/dbraw/zinc/93/25/40/737932540.db2.gz IZCHDZBWLNMSER-GFCCVEGCSA-N 0 0 361.423 2.984 20 10 FFCDRN CCC[C@H](NC=C1C(=O)N(CC)C(=S)N(CC)C1=O)c1ccccc1 ZINC000920979469 737937802 /nfs/dbraw/zinc/93/78/02/737937802.db2.gz OKBMNLANOVQJSC-INIZCTEOSA-N 0 0 359.495 2.997 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(OCC(F)(F)F)cc1 ZINC000921266601 737956150 /nfs/dbraw/zinc/95/61/50/737956150.db2.gz ZMQHYHYWUBBSDE-UKTHLTGXSA-N 0 0 372.368 2.930 20 10 FFCDRN Cn1ccc(C2CCN(C(=O)NCCCSc3nccs3)CC2)n1 ZINC000921447965 737986177 /nfs/dbraw/zinc/98/61/77/737986177.db2.gz ZCFIGFKRCOFRQK-UHFFFAOYSA-N 0 0 365.528 2.948 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)NCc1cccc(Cl)c1 ZINC000774554839 738000862 /nfs/dbraw/zinc/00/08/62/738000862.db2.gz ZFXNZNGRMIECBH-UHFFFAOYSA-N 0 0 369.899 2.711 20 10 FFCDRN COc1c([O-])c(C[NH2+]CC(C)(C)N2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974942 738046870 /nfs/dbraw/zinc/04/68/70/738046870.db2.gz MMQYUASMYMNPLE-CYBMUJFWSA-N 0 0 351.447 2.909 20 10 FFCDRN COc1cc(Cl)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000775358349 738086940 /nfs/dbraw/zinc/08/69/40/738086940.db2.gz NPTXGONQWJRXPA-UHFFFAOYSA-N 0 0 370.814 2.678 20 10 FFCDRN C[C@H](NC(=O)c1ccn(C(F)F)n1)c1ccc(N2CCOCC2)cc1 ZINC000775676441 738111725 /nfs/dbraw/zinc/11/17/25/738111725.db2.gz UNYRMMAHVORCSX-LBPRGKRZSA-N 0 0 350.369 2.606 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2cc(SC)ccc2C)c1O ZINC000776045985 738155779 /nfs/dbraw/zinc/15/57/79/738155779.db2.gz VWKUDFYUHTXBBG-UHFFFAOYSA-N 0 0 360.435 2.686 20 10 FFCDRN C[C@@]1(CNC(=O)NCc2c(O)cccc2F)OCCc2sccc21 ZINC000922530316 738161704 /nfs/dbraw/zinc/16/17/04/738161704.db2.gz FOLGRBYBFGPFSY-KRWDZBQOSA-N 0 0 350.415 2.880 20 10 FFCDRN C[C@H]1CN(Cc2cc(-c3ccccc3)ccc2O)CCN1S(C)(=O)=O ZINC000776690548 738222349 /nfs/dbraw/zinc/22/23/49/738222349.db2.gz GBFHCVAFLUUNOC-HNNXBMFYSA-N 0 0 360.479 2.525 20 10 FFCDRN Oc1cccc(Br)c1CNCc1nc2c(s1)COCC2 ZINC000922960611 738225072 /nfs/dbraw/zinc/22/50/72/738225072.db2.gz RIQTXYNAJHFWMI-UHFFFAOYSA-N 0 0 355.257 2.974 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cnn(-c3cccc(Cl)c3)n2)cc1 ZINC000776754110 738229716 /nfs/dbraw/zinc/22/97/16/738229716.db2.gz YSVVOFLRHUWSCQ-UHFFFAOYSA-N 0 0 355.829 2.917 20 10 FFCDRN CC[C@@H](COCC(F)(F)F)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819170155 742347763 /nfs/dbraw/zinc/34/77/63/742347763.db2.gz XKIPMYOQUPOAMH-LBPRGKRZSA-N 0 0 360.332 2.514 20 10 FFCDRN CCOC(=O)c1cnc(NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000777729062 738315691 /nfs/dbraw/zinc/31/56/91/738315691.db2.gz ICKHDJUHYFAVCX-UHFFFAOYSA-N 0 0 358.467 2.819 20 10 FFCDRN C[C@H](C(=O)NCc1c(O)cccc1F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000928708225 738898314 /nfs/dbraw/zinc/89/83/14/738898314.db2.gz JDFYWBRYRGEERG-NSHDSACASA-N 0 0 352.406 2.651 20 10 FFCDRN O=C(CCC(=O)c1ccc(Cl)cn1)OCC(=O)c1ccc(O)c(O)c1 ZINC000784762213 738917553 /nfs/dbraw/zinc/91/75/53/738917553.db2.gz KUNIBEONGDMGBC-UHFFFAOYSA-N 0 0 363.753 2.535 20 10 FFCDRN C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cccc(Br)c1[O-] ZINC000787301499 739124546 /nfs/dbraw/zinc/12/45/46/739124546.db2.gz DLFRZVGQEHQZJO-ZDUSSCGKSA-N 0 0 369.303 2.840 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CCCc2occc21 ZINC000788614727 739263910 /nfs/dbraw/zinc/26/39/10/739263910.db2.gz WBVWAKZUVMMGNQ-GFCCVEGCSA-N 0 0 365.480 2.528 20 10 FFCDRN COc1ccc2nc(/C=C3/SC(N4CCOCC4)=NC3=O)sc2c1 ZINC000788732496 739277689 /nfs/dbraw/zinc/27/76/89/739277689.db2.gz NEOAJRUIWQTHRF-UKTHLTGXSA-N 0 0 361.448 2.607 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCS[C@@H](C)[C@@H]2C)cc1 ZINC000788974342 739305087 /nfs/dbraw/zinc/30/50/87/739305087.db2.gz CUJCRMZVRCAVDN-GJZGRUSLSA-N 0 0 363.527 2.501 20 10 FFCDRN CCOC(=O)[C@@H](NCc1cc(Cl)cc(OC)c1O)C1CCOCC1 ZINC000789579253 739369892 /nfs/dbraw/zinc/36/98/92/739369892.db2.gz GDWHNZMUBWIBAE-HNNXBMFYSA-N 0 0 357.834 2.502 20 10 FFCDRN COC(=O)[C@H](CC(F)F)NCc1cc(Br)cc(C)c1O ZINC000789578539 739369976 /nfs/dbraw/zinc/36/99/76/739369976.db2.gz BMWUDTFKUHOMJM-JTQLQIEISA-N 0 0 352.175 2.750 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)c1[O-] ZINC000932023964 739375339 /nfs/dbraw/zinc/37/53/39/739375339.db2.gz FUBKPTQBJBWTRK-SCLBCKFNSA-N 0 0 366.845 2.959 20 10 FFCDRN CCc1cncc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)c1 ZINC000790011745 739406101 /nfs/dbraw/zinc/40/61/01/739406101.db2.gz YEHVKDCSWKDXSH-UHFFFAOYSA-N 0 0 362.813 2.818 20 10 FFCDRN Cc1nsc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000790051529 739413167 /nfs/dbraw/zinc/41/31/67/739413167.db2.gz CKYQPOSVCWXVCT-UHFFFAOYSA-N 0 0 368.409 2.847 20 10 FFCDRN Cc1c([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1[N+](=O)[O-] ZINC000790382156 739445665 /nfs/dbraw/zinc/44/56/65/739445665.db2.gz MEDSALHFEWQPTO-UHFFFAOYSA-N 0 0 367.339 2.626 20 10 FFCDRN CCOC(=O)CSc1nnc(NCc2ccc(OCC)cc2O)s1 ZINC000790517555 739464235 /nfs/dbraw/zinc/46/42/35/739464235.db2.gz FVICJTNDTUJTLT-UHFFFAOYSA-N 0 0 369.468 2.910 20 10 FFCDRN O=C(Nc1cccc(C(=O)N2CCSCC2)c1)c1cccc(O)c1O ZINC000790597249 739473187 /nfs/dbraw/zinc/47/31/87/739473187.db2.gz AETXASLRZQWZOQ-UHFFFAOYSA-N 0 0 358.419 2.539 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCOCC(F)(F)C(F)F ZINC000790648763 739481332 /nfs/dbraw/zinc/48/13/32/739481332.db2.gz QHQMBUYGGJAIPX-UHFFFAOYSA-N 0 0 350.356 2.984 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000792098173 739637986 /nfs/dbraw/zinc/63/79/86/739637986.db2.gz UHRFUAIECIJECH-HNNXBMFYSA-N 0 0 357.420 2.985 20 10 FFCDRN COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792167364 739645515 /nfs/dbraw/zinc/64/55/15/739645515.db2.gz PMNPEHQDBBMAJB-VXGBXAGGSA-N 0 0 358.841 2.548 20 10 FFCDRN COc1cc(Cl)c(Cl)cc1NC(=O)C(=O)NCc1ccccc1O ZINC000792218332 739652371 /nfs/dbraw/zinc/65/23/71/739652371.db2.gz XERKWXONXKGFGA-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1nc(Br)ccc1F ZINC000792307377 739660757 /nfs/dbraw/zinc/66/07/57/739660757.db2.gz NQMKUQYYNWIMQY-QMMMGPOBSA-N 0 0 369.190 2.755 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000933814560 739693621 /nfs/dbraw/zinc/69/36/21/739693621.db2.gz IZXMXOQVKPDZSP-SWLSCSKDSA-N 0 0 358.360 2.978 20 10 FFCDRN CCC[C@@](C)(CC)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000793122382 739741665 /nfs/dbraw/zinc/74/16/65/739741665.db2.gz GEPQMBGDSFLDRS-LJQANCHMSA-N 0 0 366.527 2.754 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NOCCSC ZINC000793426499 739780167 /nfs/dbraw/zinc/78/01/67/739780167.db2.gz PYCKXCLKLOGWHV-UHFFFAOYSA-N 0 0 363.277 2.981 20 10 FFCDRN C[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1cc(Cl)ccc1O ZINC000793564791 739794502 /nfs/dbraw/zinc/79/45/02/739794502.db2.gz MPZMLVZSWPHJHR-NSHDSACASA-N 0 0 361.829 2.776 20 10 FFCDRN COc1ccc(CNC(=O)CCCN(C)C(=O)OC(C)(C)C)c(O)c1 ZINC000794390928 739886050 /nfs/dbraw/zinc/88/60/50/739886050.db2.gz RNBKLBFTLOXMQU-UHFFFAOYSA-N 0 0 352.431 2.664 20 10 FFCDRN CS(=O)(=O)c1nnc(CN(Cc2ccccc2O)C2CCCC2)s1 ZINC000794554412 739904368 /nfs/dbraw/zinc/90/43/68/739904368.db2.gz BIKGAUYLJXKPNI-UHFFFAOYSA-N 0 0 367.496 2.592 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2cccc3ccc(C)nc32)c(O)c1 ZINC000795362448 740010524 /nfs/dbraw/zinc/01/05/24/740010524.db2.gz MEIDRQPCDZOCHM-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN O=C(N1CCCC1)N1CCC[C@@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000796470818 740145736 /nfs/dbraw/zinc/14/57/36/740145736.db2.gz WUFDSMZKXOGSDA-GFCCVEGCSA-N 0 0 355.841 2.955 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2c(C)cc(C)cc2Cl)c(O)c1 ZINC000797389429 740241786 /nfs/dbraw/zinc/24/17/86/740241786.db2.gz HKIQZUFDDQTLNV-UHFFFAOYSA-N 0 0 362.813 2.926 20 10 FFCDRN C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@]2(CCCOC2)O1 ZINC000797476830 740250413 /nfs/dbraw/zinc/25/04/13/740250413.db2.gz ZVZRESJMXWKGNY-BBRMVZONSA-N 0 0 371.528 2.605 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000797647104 740261510 /nfs/dbraw/zinc/26/15/10/740261510.db2.gz XLPCWCHYWCFZOU-MRVPVSSYSA-N 0 0 356.304 2.659 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCC(F)(F)C1 ZINC000797750172 740270031 /nfs/dbraw/zinc/27/00/31/740270031.db2.gz NULLUSTVDGDHQG-JTQLQIEISA-N 0 0 361.772 2.983 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCN(C)C3=O)cc2Cl)C1 ZINC000800571933 740534704 /nfs/dbraw/zinc/53/47/04/740534704.db2.gz QLQMQOHCIULJEH-ZFWWWQNUSA-N 0 0 363.889 2.671 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C(F)F)cc2F)C[C@H](C)O1 ZINC000800848326 740555677 /nfs/dbraw/zinc/55/56/77/740555677.db2.gz RTYYLTZZZUUXTE-IMIFBBOLSA-N 0 0 356.388 2.957 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2cc(C)cc(C)c2OC)c1 ZINC000800916785 740564569 /nfs/dbraw/zinc/56/45/69/740564569.db2.gz NMGXGBIMKSPULT-UHFFFAOYSA-N 0 0 351.424 2.505 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CSCN1C(=O)CC ZINC000801548802 740629673 /nfs/dbraw/zinc/62/96/73/740629673.db2.gz QYIWPIRICCRQSW-OAHLLOKOSA-N 0 0 350.484 2.832 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CCCCS1(=O)=O ZINC000802287043 740692958 /nfs/dbraw/zinc/69/29/58/740692958.db2.gz DLIROGCOXCYUDN-MRXNPFEDSA-N 0 0 368.499 2.671 20 10 FFCDRN Cc1ccc(C(=O)NC[C@@H](O)c2cccc(Br)c2)c(O)c1O ZINC000802319146 740696443 /nfs/dbraw/zinc/69/64/43/740696443.db2.gz CUUSRFCWWRSVTC-CYBMUJFWSA-N 0 0 366.211 2.632 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cnn(Cc2ccccc2)c1Cl ZINC000802784091 740730751 /nfs/dbraw/zinc/73/07/51/740730751.db2.gz IBRQSVBMTYSQNR-UHFFFAOYSA-N 0 0 357.797 2.926 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc(Br)ccc1O ZINC000804734998 740900676 /nfs/dbraw/zinc/90/06/76/740900676.db2.gz GXOOJVSBEWUARP-QHHAFSJGSA-N 0 0 364.195 2.896 20 10 FFCDRN Cn1ncc(C(=O)NCc2cc(Br)ccc2O)c1C1CC1 ZINC000804735064 740900690 /nfs/dbraw/zinc/90/06/90/740900690.db2.gz KBYKVQSXGSYLKE-UHFFFAOYSA-N 0 0 350.216 2.696 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(-n2ccnc2)nc1 ZINC000804737636 740901416 /nfs/dbraw/zinc/90/14/16/740901416.db2.gz UVMXJOMHNJBEAR-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN O=C(COc1ccc(F)cc1)NCc1cc(Br)ccc1O ZINC000804737438 740901570 /nfs/dbraw/zinc/90/15/70/740901570.db2.gz RKPISESMDKHWFF-UHFFFAOYSA-N 0 0 354.175 2.989 20 10 FFCDRN O=C(NCCOC1CCCC1)NCc1cc(Br)ccc1O ZINC000805072462 740934991 /nfs/dbraw/zinc/93/49/91/740934991.db2.gz OOHAOFMIMZJGFD-UHFFFAOYSA-N 0 0 357.248 2.913 20 10 FFCDRN CCNS(=O)(=O)CC[NH2+][C@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806146041 741043559 /nfs/dbraw/zinc/04/35/59/741043559.db2.gz QOOLPJKCBIJGSQ-GFCCVEGCSA-N 0 0 355.287 2.679 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCCC2(CCCC2)C1 ZINC000806278321 741049924 /nfs/dbraw/zinc/04/99/24/741049924.db2.gz OYIRRDJTBZIIEQ-UHFFFAOYSA-N 0 0 367.540 2.924 20 10 FFCDRN CS[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807202081 741119714 /nfs/dbraw/zinc/11/97/14/741119714.db2.gz AQBVFKYKPAZUEF-UKPHBRMFSA-N 0 0 363.527 2.720 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@@H](SC)C1 ZINC000807767392 741156961 /nfs/dbraw/zinc/15/69/61/741156961.db2.gz YPNHLXYMFWIDDA-HZPDHXFCSA-N 0 0 364.511 2.921 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1cc(NC(=O)NC(C)(C)C)ccc1Cl ZINC000808520051 741232043 /nfs/dbraw/zinc/23/20/43/741232043.db2.gz LIUCDYXRYUEDEM-UHFFFAOYSA-N 0 0 354.790 2.575 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccc(Br)c(C(F)(F)F)c1 ZINC000808527967 741232531 /nfs/dbraw/zinc/23/25/31/741232531.db2.gz RVAVDLZWRMHGHD-UHFFFAOYSA-N 0 0 353.090 2.783 20 10 FFCDRN C[C@@H]1CO[C@@H](C(F)(F)F)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809696316 741332577 /nfs/dbraw/zinc/33/25/77/741332577.db2.gz HALHDBYQOLNZMP-MLGOLLRUSA-N 0 0 362.367 2.814 20 10 FFCDRN O=C1c2ccccc2C(=O)N1CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000809706202 741334050 /nfs/dbraw/zinc/33/40/50/741334050.db2.gz PWSLUUWVVMVTDA-UHFFFAOYSA-N 0 0 362.788 2.961 20 10 FFCDRN CCN(CC)c1ccc(CN2CCN(CC(F)(F)F)C(=O)C2)cc1F ZINC000809710952 741335210 /nfs/dbraw/zinc/33/52/10/741335210.db2.gz DPMMIKMSKKRFCI-UHFFFAOYSA-N 0 0 361.383 2.878 20 10 FFCDRN O=C([N-]C[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)C(F)(F)F ZINC000811514749 741532801 /nfs/dbraw/zinc/53/28/01/741532801.db2.gz POKDPWNLUYHVNF-JTQLQIEISA-N 0 0 350.768 2.936 20 10 FFCDRN CCOc1ccc(CNc2ccc(C(=O)NCCO)c(Cl)c2)c(O)c1 ZINC000811838379 741566647 /nfs/dbraw/zinc/56/66/47/741566647.db2.gz GICQDJWOMMZTJK-UHFFFAOYSA-N 0 0 364.829 2.779 20 10 FFCDRN COCc1nc(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)cs1 ZINC000811946354 741576509 /nfs/dbraw/zinc/57/65/09/741576509.db2.gz YAYMPMCVFPYUFV-SNVBAGLBSA-N 0 0 351.428 2.564 20 10 FFCDRN O=S(=O)(c1ccc(Cl)c2nonc21)N1CCOc2cc(F)ccc21 ZINC000814382159 741816385 /nfs/dbraw/zinc/81/63/85/741816385.db2.gz LFQYVPRKAUQVPH-UHFFFAOYSA-N 0 0 369.761 2.603 20 10 FFCDRN O=S(=O)(c1ccc(Cl)c2nonc21)N1CCOCc2ccccc21 ZINC000814393355 741819154 /nfs/dbraw/zinc/81/91/54/741819154.db2.gz ZTKNXFIDCFSTCV-UHFFFAOYSA-N 0 0 365.798 2.602 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H](OC)C3)CC2)cc1F ZINC000814411203 741823342 /nfs/dbraw/zinc/82/33/42/741823342.db2.gz QXDVVTYGNISOBA-HOCLYGCPSA-N 0 0 350.434 2.688 20 10 FFCDRN O=C(Cc1cscc1Br)OCC(=O)c1ccc(O)c(O)c1 ZINC000814566497 741842929 /nfs/dbraw/zinc/84/29/29/741842929.db2.gz SOVXAXOCTZDBNT-UHFFFAOYSA-N 0 0 371.208 2.890 20 10 FFCDRN CN(C)c1ccc(Cn2nc(Br)nc2Br)cc1 ZINC000814751021 741861865 /nfs/dbraw/zinc/86/18/65/741861865.db2.gz DYNBGLPQZNQZNW-UHFFFAOYSA-N 0 0 360.053 2.917 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)c1[O-] ZINC000815289919 741921694 /nfs/dbraw/zinc/92/16/94/741921694.db2.gz RHKSWFTWCRYVRK-ZWKOTPCHSA-N 0 0 353.846 2.658 20 10 FFCDRN CN(C)c1cc(Br)cc(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000815836010 741964416 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CO[C@H](Cc1ccccc1)CS(=O)(=O)Nc1ccc(O)c(F)c1F ZINC000817352781 742127526 /nfs/dbraw/zinc/12/75/26/742127526.db2.gz MMGCFUZWRNTOSN-GFCCVEGCSA-N 0 0 357.378 2.670 20 10 FFCDRN CCCS(=O)(=O)Nc1cccc(NCc2cc3c(cc2O)OCO3)c1 ZINC000817406118 742138433 /nfs/dbraw/zinc/13/84/33/742138433.db2.gz MXZXERVFQRDAKT-UHFFFAOYSA-N 0 0 364.423 2.885 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@H]1CC12CC2 ZINC000817428154 742142198 /nfs/dbraw/zinc/14/21/98/742142198.db2.gz CATJIKXIIVOACA-OAHLLOKOSA-N 0 0 354.372 2.958 20 10 FFCDRN CNC(=O)[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 ZINC000817639494 742188770 /nfs/dbraw/zinc/18/87/70/742188770.db2.gz KHAOEZMJSXWLPY-AWEZNQCLSA-N 0 0 359.857 2.956 20 10 FFCDRN CCOC(=O)[C@@H](C)[C@H](C)NC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817997894 742227955 /nfs/dbraw/zinc/22/79/55/742227955.db2.gz ZEYKOUBMYDZSOV-RYUDHWBXSA-N 0 0 361.467 2.634 20 10 FFCDRN CCn1cc(NC(=S)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000819021721 742326040 /nfs/dbraw/zinc/32/60/40/742326040.db2.gz 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COc1ccc(N(C)CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000109100585 979312406 /nfs/dbraw/zinc/31/24/06/979312406.db2.gz SLNIXQRJIPBEHK-DZGCQCFKSA-N 0 0 363.458 2.545 20 10 FFCDRN C[C@](Cc1ccc(F)cc1)([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001592853054 979640950 /nfs/dbraw/zinc/64/09/50/979640950.db2.gz BSQDLDFQOBASRY-OAQYLSRUSA-N 0 0 372.440 2.838 20 10 FFCDRN C[C@@](Cc1ccc(F)cc1)([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC001592853053 979640991 /nfs/dbraw/zinc/64/09/91/979640991.db2.gz BSQDLDFQOBASRY-NRFANRHFSA-N 0 0 372.440 2.838 20 10 FFCDRN Cc1ccc(NC(=O)N(C)C)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000783672604 979648446 /nfs/dbraw/zinc/64/84/46/979648446.db2.gz MHQUMRQAGBXOPO-UHFFFAOYSA-N 0 0 372.377 2.539 20 10 FFCDRN CN1C(=O)c2ccccc2/C(=C/c2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000905068732 980380622 /nfs/dbraw/zinc/38/06/22/980380622.db2.gz ILAKPWLASFJJCF-ZHZULCJRSA-N 0 0 362.429 2.801 20 10 FFCDRN C[C@@H](NC(=O)NCc1cccc(CO)c1)c1ccc(N2CCOCC2)cc1 ZINC000729602979 980408439 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2.807 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(c3nc(C)cc(C)n3)CC2)c1O ZINC000783010371 1029878905 /nfs/dbraw/zinc/87/89/05/1029878905.db2.gz CLKKKLQFGCUJSJ-UHFFFAOYSA-N 0 0 374.872 2.977 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1cccc(C(=O)N2CCC[C@@H]2CO)n1 ZINC000840883215 1029905319 /nfs/dbraw/zinc/90/53/19/1029905319.db2.gz SZCJBWXQKTYQQA-GOSISDBHSA-N 0 0 368.481 2.665 20 10 FFCDRN Cc1cc(N(C)C)ccc1CN(CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000840916288 1029922396 /nfs/dbraw/zinc/92/23/96/1029922396.db2.gz ILYBYZOERKRAGF-HXUWFJFHSA-N 0 0 359.514 2.664 20 10 FFCDRN COc1nc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc2ccccc21 ZINC000783198112 1029963466 /nfs/dbraw/zinc/96/34/66/1029963466.db2.gz HESKUIUHKIPTRK-UHFFFAOYSA-N 0 0 353.330 2.694 20 10 FFCDRN COc1ccc(C[NH2+][C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1C ZINC000840998162 1029967854 /nfs/dbraw/zinc/96/78/54/1029967854.db2.gz OVWKFYHHHKOSBA-HKUYNNGSSA-N 0 0 368.433 2.520 20 10 FFCDRN Cc1cc(O)c(C[NH2+][C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1C ZINC000840998060 1029968124 /nfs/dbraw/zinc/96/81/24/1029968124.db2.gz BCNCHQBWKVLPSI-PKOBYXMFSA-N 0 0 368.433 2.525 20 10 FFCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)c1cccc(N2CCCC2)c1 ZINC000841064238 1030012301 /nfs/dbraw/zinc/01/23/01/1030012301.db2.gz WKZVLXHIEOYNKT-CQSZACIVSA-N 0 0 352.438 2.685 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)c(N)c1 ZINC000841126336 1030060084 /nfs/dbraw/zinc/06/00/84/1030060084.db2.gz WTLGERKKVLRVGX-UHFFFAOYSA-N 0 0 371.437 2.750 20 10 FFCDRN CCN1c2ccc(NC(=O)NCCc3ccc(N)cc3)cc2CCC1=O ZINC000841190434 1030100115 /nfs/dbraw/zinc/10/01/15/1030100115.db2.gz DSTPYBMBRWFJLA-UHFFFAOYSA-N 0 0 352.438 2.932 20 10 FFCDRN C[C@@H](CNC(=O)Nc1ccc(N)cc1)N1CCN(c2ccccc2)CC1 ZINC000841302182 1030172541 /nfs/dbraw/zinc/17/25/41/1030172541.db2.gz OGBXRIQBQXHIQN-INIZCTEOSA-N 0 0 353.470 2.601 20 10 FFCDRN Nc1ccc(NC(=O)N2CCCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000841301383 1030172683 /nfs/dbraw/zinc/17/26/83/1030172683.db2.gz NCUWMNVHKHTIDY-UHFFFAOYSA-N 0 0 356.401 2.788 20 10 FFCDRN O=C(COC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccc(O)c(O)c1 ZINC000783809521 1030284234 /nfs/dbraw/zinc/28/42/34/1030284234.db2.gz NMELTXQGYPCXTL-QGZVFWFLSA-N 0 0 369.417 2.878 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)Nc2c(C)cccc2[N+](=O)[O-])s1 ZINC001166227688 1030312498 /nfs/dbraw/zinc/31/24/98/1030312498.db2.gz RCRXOVOZMSHXAF-UHFFFAOYSA-N 0 0 367.408 2.877 20 10 FFCDRN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000841587405 1030350967 /nfs/dbraw/zinc/35/09/67/1030350967.db2.gz PWQXLBLQCQPOKN-HZSPNIEDSA-N 0 0 367.440 2.987 20 10 FFCDRN Cc1cc(C)n(-c2ccc(CNC(=O)NCCc3ccc(N)cc3)cn2)n1 ZINC000841690472 1030406088 /nfs/dbraw/zinc/40/60/88/1030406088.db2.gz QPUDZWTWXBJEOD-UHFFFAOYSA-N 0 0 364.453 2.508 20 10 FFCDRN Nc1ccc(CCNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000841707313 1030418856 /nfs/dbraw/zinc/41/88/56/1030418856.db2.gz PWLLUGOWYOJICB-UHFFFAOYSA-N 0 0 370.522 2.864 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1ccc2ncnn2c1 ZINC000841723515 1030429081 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CCOC(=O)c1cc(N2CCc3c(c4cc(OC)ccc4n3C)C2)ncn1 ZINC001166815719 1030531089 /nfs/dbraw/zinc/53/10/89/1030531089.db2.gz FZOVDEPPIGEWMO-UHFFFAOYSA-N 0 0 366.421 2.716 20 10 FFCDRN C[C@H](O)[C@](C)(CNC(=O)NCCc1ccc(N)cc1)Cc1ccccc1 ZINC000841957472 1030558419 /nfs/dbraw/zinc/55/84/19/1030558419.db2.gz BOYDEFOQHKOPRX-KKSFZXQISA-N 0 0 355.482 2.740 20 10 FFCDRN Cn1cc2c(n1)CN(Cc1cc(F)c(F)cc1O)C[C@@H]2COCC1CC1 ZINC001142512942 1030562333 /nfs/dbraw/zinc/56/23/33/1030562333.db2.gz QPPCHFNGSDNBGG-CQSZACIVSA-N 0 0 363.408 2.930 20 10 FFCDRN O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc(O)c(O)c1 ZINC000784435967 1030618939 /nfs/dbraw/zinc/61/89/39/1030618939.db2.gz RXHQWNNKOBHUPM-UHFFFAOYSA-N 0 0 356.290 2.527 20 10 FFCDRN CCOC(=O)[C@H](CC(C)C)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000842161298 1030629807 /nfs/dbraw/zinc/62/98/07/1030629807.db2.gz NNKDVTHXFXWWDA-KRWDZBQOSA-N 0 0 370.440 2.869 20 10 FFCDRN COC(=O)COc1ccc(N(C)CCOc2ccccc2C(C)=O)cc1 ZINC000784553897 1030678713 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CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000842517884 1030776825 /nfs/dbraw/zinc/77/68/25/1030776825.db2.gz NKVYNQGTVNGKSJ-KZNAEPCWSA-N 0 0 357.498 2.796 20 10 FFCDRN COc1cccc(CN2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](F)C2)c1O ZINC001203597288 1030777505 /nfs/dbraw/zinc/77/75/05/1030777505.db2.gz YUDCJZULJODWGZ-UONOGXRCSA-N 0 0 354.422 2.838 20 10 FFCDRN CCOc1cccc(CN2CCc3onc(Cn4ccnc4)c3C2)c1O ZINC001203602825 1030781923 /nfs/dbraw/zinc/78/19/23/1030781923.db2.gz AMGGYGYVIBYFRH-UHFFFAOYSA-N 0 0 354.410 2.582 20 10 FFCDRN CCOc1cccc(CN2CCn3cc(CN4CCCCC4)nc3C2)c1O ZINC001203608603 1030783942 /nfs/dbraw/zinc/78/39/42/1030783942.db2.gz WALYJTVLBUXOHG-UHFFFAOYSA-N 0 0 370.497 2.989 20 10 FFCDRN CCOC(=O)NC1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC001203650608 1030805562 /nfs/dbraw/zinc/80/55/62/1030805562.db2.gz XPDKSBHLDMIYMR-UHFFFAOYSA-N 0 0 357.248 2.865 20 10 FFCDRN Oc1ccc(Cl)cc1CN1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001203657387 1030807982 /nfs/dbraw/zinc/80/79/82/1030807982.db2.gz DGVYWGKCSGFICM-AWEZNQCLSA-N 0 0 357.845 2.771 20 10 FFCDRN COc1ccc(O)c(CN2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001203665656 1030814480 /nfs/dbraw/zinc/81/44/80/1030814480.db2.gz RTQZFZXFDKFWBR-MRXNPFEDSA-N 0 0 366.458 2.516 20 10 FFCDRN CCN(CC)c1ccnc([C@H]2COCCN2Cc2cc(OC)ccc2O)n1 ZINC001203674836 1030819971 /nfs/dbraw/zinc/81/99/71/1030819971.db2.gz CVYMMCYHPUNFGT-QGZVFWFLSA-N 0 0 372.469 2.611 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001142847654 1030950362 /nfs/dbraw/zinc/95/03/62/1030950362.db2.gz WWGLTHYJWCNCHU-CVEARBPZSA-N 0 0 372.387 2.639 20 10 FFCDRN CCOC[C@@H]1CN(Cc2ccc(O)c(O)c2)Cc2cn(CC3CC3)nc21 ZINC001203877929 1030952877 /nfs/dbraw/zinc/95/28/77/1030952877.db2.gz LKKLXVAKFNKZOQ-KRWDZBQOSA-N 0 0 357.454 2.840 20 10 FFCDRN CCOC(=O)c1cn2c(n1)CN(Cc1ccc(N(CC)CC)cc1)CC2 ZINC001203938651 1030998529 /nfs/dbraw/zinc/99/85/29/1030998529.db2.gz BBWOBEZRGJDMPA-UHFFFAOYSA-N 0 0 356.470 2.922 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc(N)c([N+](=O)[O-])c3)C2)cc1 ZINC000842881281 1031014538 /nfs/dbraw/zinc/01/45/38/1031014538.db2.gz LGAJPFKLCWECTD-ZDUSSCGKSA-N 0 0 371.393 2.869 20 10 FFCDRN COc1ccc(Cn2cc(C[NH2+]Cc3cccc(Cl)c3[O-])nn2)cc1 ZINC001204001683 1031032815 /nfs/dbraw/zinc/03/28/15/1031032815.db2.gz BZEIEZCZMKELLP-UHFFFAOYSA-N 0 0 358.829 2.984 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2cccc(N(C)C(C)C)c2)c(O)c1 ZINC000797389089 1031096609 /nfs/dbraw/zinc/09/66/09/1031096609.db2.gz OVABYKTYGRCAGV-UHFFFAOYSA-N 0 0 371.437 2.500 20 10 FFCDRN CC(=O)N(C)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000797618151 1031164585 /nfs/dbraw/zinc/16/45/85/1031164585.db2.gz AIMAEEBDJGZWHY-LBPRGKRZSA-N 0 0 357.410 2.833 20 10 FFCDRN COC(=O)CCOc1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1 ZINC000797620121 1031165501 /nfs/dbraw/zinc/16/55/01/1031165501.db2.gz JSSCKEOSWTWSRD-UHFFFAOYSA-N 0 0 374.393 2.664 20 10 FFCDRN CCOC(=O)c1cnc(C)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000797639334 1031171908 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Cc1cc(Cl)cc(CN2CCn3cc(Cn4cccn4)nc3C2)c1O ZINC001237684435 1043311572 /nfs/dbraw/zinc/31/15/72/1043311572.db2.gz KTIAJYZMAKNMSD-UHFFFAOYSA-N 0 0 357.845 2.811 20 10 FFCDRN Cc1cc(Cl)cc(CN2CCn3c(CNC(=O)C4CC4)cnc3C2)c1O ZINC001237686914 1043313677 /nfs/dbraw/zinc/31/36/77/1043313677.db2.gz VFIRIXXCDCLYMJ-UHFFFAOYSA-N 0 0 374.872 2.593 20 10 FFCDRN [O-]c1c(I)cccc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001237777956 1043350037 /nfs/dbraw/zinc/35/00/37/1043350037.db2.gz QPUMDJPDHIEQJT-FZMZJTMJSA-N 0 0 373.234 2.998 20 10 FFCDRN CN1CCC([N@H+](C)Cc2cccc(I)c2[O-])CC1 ZINC001237787857 1043358104 /nfs/dbraw/zinc/35/81/04/1043358104.db2.gz UNVSBHKJANVXHM-UHFFFAOYSA-N 0 0 360.239 2.523 20 10 FFCDRN CC(C)OCc1nnc2n1CCN(Cc1cc(F)cc(Cl)c1[O-])C2 ZINC001237799939 1043365401 /nfs/dbraw/zinc/36/54/01/1043365401.db2.gz KJPKUWDUKQNCHG-UHFFFAOYSA-N 0 0 354.813 2.717 20 10 FFCDRN CCOC(=O)c1ncn2c1CN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237799858 1043366894 /nfs/dbraw/zinc/36/68/94/1043366894.db2.gz IVORVFAFCNUPCM-UHFFFAOYSA-N 0 0 353.781 2.574 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)CC[C@@H]1CCCCO1 ZINC001309595014 1043447970 /nfs/dbraw/zinc/44/79/70/1043447970.db2.gz OFVYNJQPFDPZCT-APWZRJJASA-N 0 0 368.543 2.871 20 10 FFCDRN Cc1cc(=O)oc2c1ccc([O-])c2CN1CC2(C1)C[NH+](C1CCCC1)C2 ZINC001279677662 1043452327 /nfs/dbraw/zinc/45/23/27/1043452327.db2.gz OERKRXZFBANVNN-UHFFFAOYSA-N 0 0 354.450 2.867 20 10 FFCDRN COc1ccc(C(=O)N2CCN(Cc3cc(F)cc(C)c3O)CC2)cc1 ZINC001238066792 1043512840 /nfs/dbraw/zinc/51/28/40/1043512840.db2.gz LARVLUXWAAJOMZ-UHFFFAOYSA-N 0 0 358.413 2.806 20 10 FFCDRN O=C(N1CC(F)(C2CC2)C1)C12CC([NH2+]Cc3c(F)ccc(F)c3[O-])(C1)C2 ZINC001279739889 1043561875 /nfs/dbraw/zinc/56/18/75/1043561875.db2.gz DHJXHCWRDABBLM-UHFFFAOYSA-N 0 0 366.383 2.643 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2c(O)cccc2F)c(C)cc1[N+](=O)[O-] ZINC001309878730 1043568946 /nfs/dbraw/zinc/56/89/46/1043568946.db2.gz HOUQXEXBQOHAHU-UHFFFAOYSA-N 0 0 354.359 2.535 20 10 FFCDRN O=C([O-])C[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000756379497 1043598567 /nfs/dbraw/zinc/59/85/67/1043598567.db2.gz MWPHHHACUMYWLM-SFHVURJKSA-N 0 0 372.440 2.838 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756379919 1043598649 /nfs/dbraw/zinc/59/86/49/1043598649.db2.gz DIRWKXAMUAJWAU-CYBMUJFWSA-N 0 0 353.382 2.791 20 10 FFCDRN O=C([O-])[C@@H](Cc1cccc(Cl)c1)[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000756379325 1043598743 /nfs/dbraw/zinc/59/87/43/1043598743.db2.gz ADNXEGKFNXDZPF-LJQANCHMSA-N 0 0 374.868 2.962 20 10 FFCDRN O=C(Cc1ccsc1)N1CCC2(CN(c3ccc4c(c3)OCCO4)C2)C1 ZINC001279764443 1043607241 /nfs/dbraw/zinc/60/72/41/1043607241.db2.gz CAJXIXURKCKSTM-UHFFFAOYSA-N 0 0 370.474 2.801 20 10 FFCDRN CN1CCc2c(NC(=O)NCc3cc(Cl)ccc3O)cccc2C1=O ZINC001311006440 1043778795 /nfs/dbraw/zinc/77/87/95/1043778795.db2.gz FMJKNICCRPHMBJ-UHFFFAOYSA-N 0 0 359.813 2.995 20 10 FFCDRN [NH3+]C1(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CCCCC1 ZINC001238611680 1043790186 /nfs/dbraw/zinc/79/01/86/1043790186.db2.gz VDPQGGFHYVDSAL-UHFFFAOYSA-N 0 0 353.271 2.639 20 10 FFCDRN C[NH2+]C1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001279990648 1044051755 /nfs/dbraw/zinc/05/17/55/1044051755.db2.gz QGHBYLVBAQCCRO-FGWVZKOKSA-N 0 0 365.282 2.603 20 10 FFCDRN Cn1ccnc1NC(=O)[C@@H]1CC12CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001280006770 1044078843 /nfs/dbraw/zinc/07/88/43/1044078843.db2.gz PGAHFLACAWMZNF-AWEZNQCLSA-N 0 0 358.417 2.506 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1COC2(CCCCC2)O1 ZINC001312382468 1044103987 /nfs/dbraw/zinc/10/39/87/1044103987.db2.gz SCDQJZJXFYTKTR-CYBMUJFWSA-N 0 0 354.834 2.921 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1COC2(CCCCC2)O1 ZINC001312382470 1044104142 /nfs/dbraw/zinc/10/41/42/1044104142.db2.gz SCDQJZJXFYTKTR-ZDUSSCGKSA-N 0 0 354.834 2.921 20 10 FFCDRN CS(=O)(=O)c1cncc(-c2ncnc3c2ccn3Cc2ccccc2)c1 ZINC001239692647 1044153260 /nfs/dbraw/zinc/15/32/60/1044153260.db2.gz CXKCCHVDHJNOHC-UHFFFAOYSA-N 0 0 364.430 2.945 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCCC3(F)F)CC2)c(OC)c1 ZINC001312817389 1044176383 /nfs/dbraw/zinc/17/63/83/1044176383.db2.gz HQUMZTPRESPNSJ-INIZCTEOSA-N 0 0 369.412 2.723 20 10 FFCDRN CCOC(=O)c1ncnc(C(=O)OCC)c1-c1ccc2ccn(C)c2c1 ZINC001240575295 1044391178 /nfs/dbraw/zinc/39/11/78/1044391178.db2.gz XJGOVIJSFCIXCN-UHFFFAOYSA-N 0 0 353.378 2.989 20 10 FFCDRN CC1=S=C(c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nn2)C=C1 ZINC001241531595 1044537231 /nfs/dbraw/zinc/53/72/31/1044537231.db2.gz PDHKGWVKQRUIFL-UHFFFAOYSA-N 0 0 365.458 2.632 20 10 FFCDRN O=C(NC[C@@H]1CCOC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001318775700 1044869266 /nfs/dbraw/zinc/86/92/66/1044869266.db2.gz DRBDMHNZZOAZLJ-UONOGXRCSA-N 0 0 369.412 2.593 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000726562121 1044877402 /nfs/dbraw/zinc/87/74/02/1044877402.db2.gz GMANHSMXMHNJAA-UHFFFAOYSA-N 0 0 369.421 2.931 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCO4)CC2)cc1 ZINC001319381701 1045132218 /nfs/dbraw/zinc/13/22/18/1045132218.db2.gz SPCRNYWPGFNDKY-UHFFFAOYSA-N 0 0 352.434 2.983 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cncc(OCC(F)F)c2)c1 ZINC001319391096 1045134597 /nfs/dbraw/zinc/13/45/97/1045134597.db2.gz KRSPGCSGVVCZJC-JTQLQIEISA-N 0 0 352.337 2.931 20 10 FFCDRN CNC(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC001319702824 1045244891 /nfs/dbraw/zinc/24/48/91/1045244891.db2.gz UWKFLUBOBPKFQN-UHFFFAOYSA-N 0 0 354.454 2.558 20 10 FFCDRN CSc1ncc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(=O)[nH]1 ZINC001539468890 1070644398 /nfs/dbraw/zinc/64/43/98/1070644398.db2.gz SLBZHAIYGYAEEX-UHFFFAOYSA-N 0 0 358.467 2.777 20 10 FFCDRN CC(=O)OC[C@H](CO)NC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001320765766 1045463478 /nfs/dbraw/zinc/46/34/78/1045463478.db2.gz CYXRPFQMCAIHCA-SFHVURJKSA-N 0 0 372.465 2.871 20 10 FFCDRN Cc1ccn(-c2cccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c2)n1 ZINC001320878971 1045486953 /nfs/dbraw/zinc/48/69/53/1045486953.db2.gz NEWGXTGLGNLYMF-UHFFFAOYSA-N 0 0 352.346 2.632 20 10 FFCDRN CS(=O)(=O)c1cc(C(=O)Nc2c3nonc3ccc2Cl)ccc1F ZINC001323481886 1045606570 /nfs/dbraw/zinc/60/65/70/1045606570.db2.gz DMZYLBLNBPEEBS-UHFFFAOYSA-N 0 0 369.761 2.671 20 10 FFCDRN C[C@H](O)[C@H](NCc1ccc(N2CCCC2)cc1)C(=O)OCc1ccccc1 ZINC001324333070 1045975622 /nfs/dbraw/zinc/97/56/22/1045975622.db2.gz FBRXQBHBHSFKQV-UWJYYQICSA-N 0 0 368.477 2.869 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cnc4onc(C)c4c3)CC2)cc1 ZINC001324381830 1045998758 /nfs/dbraw/zinc/99/87/58/1045998758.db2.gz WDJSQNWNTLCPCL-UHFFFAOYSA-N 0 0 366.421 2.892 20 10 FFCDRN CN(C(=O)C(=O)NCCCSc1nccs1)[C@H]1CCC(C)(C)C1 ZINC001323025914 1046311398 /nfs/dbraw/zinc/31/13/98/1046311398.db2.gz JOYCSNPOBNFRER-LBPRGKRZSA-N 0 0 355.529 2.779 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H](CO)c2cnn(C)c2)c1 ZINC001325006513 1046332637 /nfs/dbraw/zinc/33/26/37/1046332637.db2.gz NQSBWMZJAMIALX-SFHVURJKSA-N 0 0 372.856 2.944 20 10 FFCDRN CCOc1ccc(N2CC[NH+](C[C@H](O)COc3cccc(C)c3)CC2)cc1 ZINC001323176641 1046371869 /nfs/dbraw/zinc/37/18/69/1046371869.db2.gz IPTYVQPVQXOZRR-FQEVSTJZSA-N 0 0 370.493 2.956 20 10 FFCDRN CN1CCN(c2ccc(CNCc3nccc(C(F)F)n3)cc2F)CC1 ZINC001325733784 1046626936 /nfs/dbraw/zinc/62/69/36/1046626936.db2.gz CCHDRIQECFBQJI-UHFFFAOYSA-N 0 0 365.403 2.595 20 10 FFCDRN Nc1cccc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC001326393272 1046913361 /nfs/dbraw/zinc/91/33/61/1046913361.db2.gz AJZSCTPKLLTZJV-LBPRGKRZSA-N 0 0 362.380 2.664 20 10 FFCDRN Cc1n[nH]c(C)c1C[C@@H](C)C(=O)NCc1cc(Br)ccc1O ZINC001326456586 1046940296 /nfs/dbraw/zinc/94/02/96/1046940296.db2.gz FZWKMFOXMSCFFV-SECBINFHSA-N 0 0 366.259 2.990 20 10 FFCDRN CC(C)[C@@H](C)N(C(=O)C(=O)NCCCSc1nccs1)C1CC1 ZINC001326639755 1047015152 /nfs/dbraw/zinc/01/51/52/1047015152.db2.gz DRVZKKBEGXKEDW-GFCCVEGCSA-N 0 0 355.529 2.777 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[nH]c3=O)cc2)CC1 ZINC000731053661 1047236742 /nfs/dbraw/zinc/23/67/42/1047236742.db2.gz WRQBIIQNZRJCMG-UHFFFAOYSA-N 0 0 370.409 2.862 20 10 FFCDRN CC[N@H+](Cc1cncc(OC)n1)Cc1cc(Br)ccc1O ZINC001331573991 1048015298 /nfs/dbraw/zinc/01/52/98/1048015298.db2.gz WLAMQEZZOJOMLT-UHFFFAOYSA-N 0 0 352.232 2.975 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@@H]2OCCO[C@@H]2C(F)(F)F)cc1 ZINC001290324067 1048015890 /nfs/dbraw/zinc/01/58/90/1048015890.db2.gz KRBNNVCKJHBQHK-CVEARBPZSA-N 0 0 374.403 2.838 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3C[C@]3(C)Br)CC2)cc1 ZINC001331698080 1048067114 /nfs/dbraw/zinc/06/71/14/1048067114.db2.gz RKKQNGHDWUWPJP-WBVHZDCISA-N 0 0 367.287 2.907 20 10 FFCDRN Cc1cc(-c2nnc(CCN3C(=O)CCC3=O)o2)c(C)n1-c1ccccc1 ZINC001328102612 1048177003 /nfs/dbraw/zinc/17/70/03/1048177003.db2.gz VJPQFKGJZVIFSX-UHFFFAOYSA-N 0 0 364.405 2.836 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2C(C)(C)C2(F)F)cc1 ZINC001328277952 1048245876 /nfs/dbraw/zinc/24/58/76/1048245876.db2.gz PYTYVHGQWZNSDG-OAHLLOKOSA-N 0 0 367.440 2.557 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cn1c2ccccc2oc1=O ZINC001328632923 1048390090 /nfs/dbraw/zinc/39/00/90/1048390090.db2.gz OWDPNQBHAINYKR-OAHLLOKOSA-N 0 0 367.449 2.716 20 10 FFCDRN CCN(CC)C(=O)COc1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC001540817245 1071005541 /nfs/dbraw/zinc/00/55/41/1071005541.db2.gz LYLRGSLXKBWIKV-UHFFFAOYSA-N 0 0 358.394 2.597 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3scc4c3OCCO4)CC2)cc1 ZINC001332890775 1048608666 /nfs/dbraw/zinc/60/86/66/1048608666.db2.gz ZTTKTZMKLVIMHC-UHFFFAOYSA-N 0 0 374.462 2.880 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CC[C@H]4OCCC[C@@H]4C3)C2)cc1 ZINC001329179576 1048609134 /nfs/dbraw/zinc/60/91/34/1048609134.db2.gz LIATZFCQSDCLMC-MBOZVWFJSA-N 0 0 373.497 2.732 20 10 FFCDRN CCCOc1ccc(C[NH2+][C@@H](Cn2cc(Cl)cn2)C(=O)[O-])cc1C ZINC001329633276 1048819344 /nfs/dbraw/zinc/81/93/44/1048819344.db2.gz SBLRIXFYYCIYAD-HNNXBMFYSA-N 0 0 351.834 2.877 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)/C=C\c3cncc(F)c3)CC2)cc1 ZINC001333490310 1048935368 /nfs/dbraw/zinc/93/53/68/1048935368.db2.gz FCGNOPZKNWAFNV-BAQGIRSFSA-N 0 0 355.413 2.981 20 10 FFCDRN C[C@@H](NC(=O)c1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccccc1O ZINC001329881196 1048947593 /nfs/dbraw/zinc/94/75/93/1048947593.db2.gz JCPLWQQCGKKGHT-GDBMZVCRSA-N 0 0 367.449 2.585 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@](C)(C(F)F)O1 ZINC001330045524 1049019495 /nfs/dbraw/zinc/01/94/95/1049019495.db2.gz LTUSSRSGCDTDLQ-APPDUMDISA-N 0 0 359.392 2.846 20 10 FFCDRN O=C(Cc1cncc2ccccc21)NCc1ccc(N2CCOCC2)cc1 ZINC001330213147 1049084686 /nfs/dbraw/zinc/08/46/86/1049084686.db2.gz GGSCPMWNOOFQLG-UHFFFAOYSA-N 0 0 361.445 2.930 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3ncoc3[C@@H]3CCCO3)C2)cc1 ZINC001330889095 1049378071 /nfs/dbraw/zinc/37/80/71/1049378071.db2.gz ZTDIBFRHJBTXFB-BBRMVZONSA-N 0 0 357.410 2.543 20 10 FFCDRN O=C([O-])C[C@@H](C[NH2+]Cc1c(O)cccc1Br)c1ccncc1 ZINC001334409527 1049411786 /nfs/dbraw/zinc/41/17/86/1049411786.db2.gz ZLGCTFUSVHWHKO-LBPRGKRZSA-N 0 0 365.227 2.898 20 10 FFCDRN CC(C)CCN(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001330989129 1049426746 /nfs/dbraw/zinc/42/67/46/1049426746.db2.gz MLHSOTKDDUNODW-UHFFFAOYSA-N 0 0 360.502 2.576 20 10 FFCDRN Cc1ccc(NCCCNC(=O)NCc2ccccc2O)c([N+](=O)[O-])c1 ZINC000740480008 1049464559 /nfs/dbraw/zinc/46/45/59/1049464559.db2.gz JSHDLJPJJDTLEH-UHFFFAOYSA-N 0 0 358.398 2.910 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ncoc3-c3ccon3)CC2)cc1 ZINC001331142135 1049486133 /nfs/dbraw/zinc/48/61/33/1049486133.db2.gz DXCHZSFPIZKXAC-UHFFFAOYSA-N 0 0 368.393 2.691 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H]1CCCC1(F)F ZINC001334715585 1049543090 /nfs/dbraw/zinc/54/30/90/1049543090.db2.gz ZUMAUQDOBPMCIC-OLZOCXBDSA-N 0 0 371.380 2.514 20 10 FFCDRN CCCNC(=O)CCNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001331277766 1049546439 /nfs/dbraw/zinc/54/64/39/1049546439.db2.gz QMHSVCLJKRIAFV-UHFFFAOYSA-N 0 0 356.470 2.810 20 10 FFCDRN CC(C)(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)C(=O)OCc1ccccc1 ZINC001295644569 1049966506 /nfs/dbraw/zinc/96/65/06/1049966506.db2.gz UEFZVHQGXMZRLO-LJQANCHMSA-N 0 0 371.433 2.915 20 10 FFCDRN CNC(=O)N[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001296166971 1050033259 /nfs/dbraw/zinc/03/32/59/1050033259.db2.gz JMRDZCBKJBQGHZ-MRXNPFEDSA-N 0 0 354.454 2.546 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@H](O)C(C)(C)C2)CCCC1 ZINC001297419673 1050160783 /nfs/dbraw/zinc/16/07/83/1050160783.db2.gz BEWYWNDVXTUKHZ-IBGZPJMESA-N 0 0 356.466 2.758 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@H](CO)[C@H](O)C2)c1 ZINC001339846588 1050267026 /nfs/dbraw/zinc/26/70/26/1050267026.db2.gz OMGRNPVZAOKMKY-RDTXWAMCSA-N 0 0 362.857 2.563 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(CN2CCCC2=O)n1CCC1CC1 ZINC001298364884 1050424954 /nfs/dbraw/zinc/42/49/54/1050424954.db2.gz KQFXCNILBQCCSN-UHFFFAOYSA-N 0 0 369.469 2.543 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC(c3cncn3C)CC2)c([N+](=O)[O-])c1 ZINC001340028060 1050440004 /nfs/dbraw/zinc/44/00/04/1050440004.db2.gz PTTXOLPDYTYBQX-GQCTYLIASA-N 0 0 370.409 2.899 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2C[C@H](C(F)(F)F)O[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000745975681 1050624804 /nfs/dbraw/zinc/62/48/04/1050624804.db2.gz RPHRIEKODTVIQO-ABCJJHQDSA-N 0 0 374.315 2.937 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)cc1 ZINC001542089263 1071167276 /nfs/dbraw/zinc/16/72/76/1071167276.db2.gz IFAAVLZENIHYDC-LJQANCHMSA-N 0 0 355.486 2.953 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CC[C@@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000747227080 1051048411 /nfs/dbraw/zinc/04/84/11/1051048411.db2.gz QZZLNLFZUFPEQH-VOKGJARPSA-N 0 0 370.409 2.584 20 10 FFCDRN CO[C@@H]1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)[C@](C)(CO)C1 ZINC001302366311 1051096242 /nfs/dbraw/zinc/09/62/42/1051096242.db2.gz BJOBKRSOCFSPSQ-FPOVZHCZSA-N 0 0 356.466 2.635 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(F)cc(OC)cc3F)C2)cc1 ZINC001340777084 1051126035 /nfs/dbraw/zinc/12/60/35/1051126035.db2.gz MFODJGRJMUBKON-LBPRGKRZSA-N 0 0 362.376 2.991 20 10 FFCDRN C[C@@H](NC(=O)Cn1cnc2c3ccccc3oc2c1=O)c1ccccc1O ZINC001302530205 1051130073 /nfs/dbraw/zinc/13/00/73/1051130073.db2.gz FIBLHFPBPVFXPX-GFCCVEGCSA-N 0 0 363.373 2.726 20 10 FFCDRN C[C@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1ccccc1O ZINC001302537983 1051130589 /nfs/dbraw/zinc/13/05/89/1051130589.db2.gz BYUSVKJWGKDNJP-LBPRGKRZSA-N 0 0 353.353 2.568 20 10 FFCDRN CS[C@H](C)Cn1c(-c2cnccn2)nnc1N(C)Cc1ccccc1O ZINC001302554858 1051134504 /nfs/dbraw/zinc/13/45/04/1051134504.db2.gz PPWGRCJSFNYFFW-CYBMUJFWSA-N 0 0 370.482 2.829 20 10 FFCDRN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1cccc(O)c1O ZINC001303193489 1051298235 /nfs/dbraw/zinc/29/82/35/1051298235.db2.gz NBXXRMIUSFJSAN-KRWDZBQOSA-N 0 0 352.390 2.678 20 10 FFCDRN O=C(Cc1cc(F)ccc1Br)NCc1cc(O)ccc1O ZINC001303225298 1051307373 /nfs/dbraw/zinc/30/73/73/1051307373.db2.gz FTEHWMWRTKQMJQ-UHFFFAOYSA-N 0 0 354.175 2.858 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccccc1CN1CCSCC1 ZINC001542459262 1071236495 /nfs/dbraw/zinc/23/64/95/1071236495.db2.gz LFUIDKYDRAJHEF-UHFFFAOYSA-N 0 0 358.463 2.828 20 10 FFCDRN CO[C@@H]1CC[C@@H]1N(C)c1nnc(C2SC=CC2=O)n1C[C@@H]1CCCO1 ZINC001343029101 1051646202 /nfs/dbraw/zinc/64/62/02/1051646202.db2.gz VPMHAZCWPQNDRS-SGMGOOAPSA-N 0 0 364.471 2.505 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N[C@H](CCO)C3CCCC3)cs2)cc1 ZINC001343036191 1051651600 /nfs/dbraw/zinc/65/16/00/1051651600.db2.gz BUWTYIQHIBLTIU-MRXNPFEDSA-N 0 0 359.495 2.987 20 10 FFCDRN COc1cccc(C2=NO[C@@H](C(=O)NCc3cccc(Cl)c3O)C2)c1 ZINC001305084046 1051801619 /nfs/dbraw/zinc/80/16/19/1051801619.db2.gz FPICDKOEEVIPIX-MRXNPFEDSA-N 0 0 360.797 2.864 20 10 FFCDRN CC(C)c1n[nH]c(CC2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)n1 ZINC001306868942 1052206478 /nfs/dbraw/zinc/20/64/78/1052206478.db2.gz ODNBDCSMMYMLQL-UHFFFAOYSA-N 0 0 362.405 2.573 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@H]2C(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000752939890 1052315681 /nfs/dbraw/zinc/31/56/81/1052315681.db2.gz KFFQAUWPOQSXEZ-HEWZJLJBSA-N 0 0 362.382 2.701 20 10 FFCDRN C/C=C(/C)C(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@@H]1C ZINC001345298051 1052372919 /nfs/dbraw/zinc/37/29/19/1052372919.db2.gz KLCPMGZWLISASG-RLNFUCECSA-N 0 0 357.414 2.534 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cccc4c3CCN4)C2)cc1 ZINC001343722819 1052389256 /nfs/dbraw/zinc/38/92/56/1052389256.db2.gz UZWYRYQEDHHXPZ-OAHLLOKOSA-N 0 0 351.450 2.920 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000754499948 1052474486 /nfs/dbraw/zinc/47/44/86/1052474486.db2.gz USKCZTBWFZTKBD-UHFFFAOYSA-N 0 0 373.390 2.671 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCc3c(CC(N)=O)cccc3C2)cc1F ZINC001308895972 1052513400 /nfs/dbraw/zinc/51/34/00/1052513400.db2.gz GXZNCMAHGAKJCL-UHFFFAOYSA-N 0 0 359.420 2.617 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CCC[C@@H](F)C1 ZINC001345616503 1052540380 /nfs/dbraw/zinc/54/03/80/1052540380.db2.gz CZLIPJUGMIRBPF-LSDHHAIUSA-N 0 0 352.425 2.931 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCC[C@@H](F)C1 ZINC001345616502 1052540433 /nfs/dbraw/zinc/54/04/33/1052540433.db2.gz CZLIPJUGMIRBPF-HUUCEWRRSA-N 0 0 352.425 2.931 20 10 FFCDRN O=S(=O)(CCCC1CC1)NCc1ccc(N2CCSCC2)cc1 ZINC001309071107 1052549745 /nfs/dbraw/zinc/54/97/45/1052549745.db2.gz NBTKRQGKPABPEX-UHFFFAOYSA-N 0 0 354.541 2.849 20 10 FFCDRN CCOC(=O)N1CCC[C@@H](C(=O)Nc2c3nonc3ccc2Cl)C1 ZINC001344042443 1052562860 /nfs/dbraw/zinc/56/28/60/1052562860.db2.gz IKVIXVJZQGEKQF-SECBINFHSA-N 0 0 352.778 2.683 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cccc(C(=O)OC)c3)CC2)cc1 ZINC001335136602 1053229580 /nfs/dbraw/zinc/22/95/80/1053229580.db2.gz UPCCLQKXHSKILA-UHFFFAOYSA-N 0 0 368.433 2.834 20 10 FFCDRN COc1ccc(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1 ZINC001335419942 1053351575 /nfs/dbraw/zinc/35/15/75/1053351575.db2.gz VCOCDMFZKOCZST-UHFFFAOYSA-N 0 0 350.422 2.865 20 10 FFCDRN Nc1ccc(CNC(=O)NCCOc2ncccc2C(F)(F)F)cc1 ZINC001335493870 1053397066 /nfs/dbraw/zinc/39/70/66/1053397066.db2.gz RTKJEHMXNHVMAT-UHFFFAOYSA-N 0 0 354.332 2.561 20 10 FFCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2C[C@@H]2CCOC2)CCS1 ZINC001346930154 1053454474 /nfs/dbraw/zinc/45/44/74/1053454474.db2.gz KMSRMXGLWFHNDN-NEPJUHHUSA-N 0 0 366.512 2.690 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)c3ccc4[nH]c(=O)[nH]c4n3)cc2)CC1 ZINC001543143258 1071393433 /nfs/dbraw/zinc/39/34/33/1071393433.db2.gz XIUPQIJSSMRZPS-UHFFFAOYSA-N 0 0 365.437 2.830 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3C[C@@H](C)OCC[C@H]3C)CC2)cc1 ZINC001347336028 1053857021 /nfs/dbraw/zinc/85/70/21/1053857021.db2.gz QROKQMRIZDKDOY-HZPDHXFCSA-N 0 0 361.486 2.873 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)cc1 ZINC001336290589 1053901569 /nfs/dbraw/zinc/90/15/69/1053901569.db2.gz PROJGYCMSJMKHX-UHFFFAOYSA-N 0 0 358.486 2.593 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccn(CCC(F)(F)F)n1 ZINC001347470513 1054015352 /nfs/dbraw/zinc/01/53/52/1054015352.db2.gz APSQBSBDDKNPHL-UHFFFAOYSA-N 0 0 368.359 2.941 20 10 FFCDRN Cc1cc2cc(NC(=O)/C=C\c3ccc(O)c(O)c3)ccc2n(C)c1=O ZINC001347729711 1054263904 /nfs/dbraw/zinc/26/39/04/1054263904.db2.gz WRDRNRVEIAYCLK-YWEYNIOJSA-N 0 0 350.374 2.910 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCC(O)(c3c(F)cccc3F)CC2)cc1 ZINC001337070554 1054455735 /nfs/dbraw/zinc/45/57/35/1054455735.db2.gz RQUVSRPVUJTZSA-UHFFFAOYSA-N 0 0 361.392 2.740 20 10 FFCDRN CC1(C)C[C@H](C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCO1 ZINC001337115111 1054491338 /nfs/dbraw/zinc/49/13/38/1054491338.db2.gz OQTCYVITJJPBAX-OAHLLOKOSA-N 0 0 364.461 2.608 20 10 FFCDRN O=C(NCc1cccc(O)c1O)[C@H]1c2ccccc2C(=O)OC12CCC2 ZINC001348046014 1054591150 /nfs/dbraw/zinc/59/11/50/1054591150.db2.gz GWQSPAXGODUOQP-MRXNPFEDSA-N 0 0 353.374 2.591 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1ccccc1O ZINC001348301035 1054617221 /nfs/dbraw/zinc/61/72/21/1054617221.db2.gz VIKCHAFSFGHUMC-UHFFFAOYSA-N 0 0 370.449 2.885 20 10 FFCDRN Cc1nccn1-c1ncccc1CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001543487528 1071485677 /nfs/dbraw/zinc/48/56/77/1071485677.db2.gz VYZKZBSTMVBNMN-UHFFFAOYSA-N 0 0 363.381 2.668 20 10 FFCDRN Cc1cc(CNC(=O)NCCCC(=O)NC2CC2)c(C)n1-c1ccccc1 ZINC001348089213 1054636401 /nfs/dbraw/zinc/63/64/01/1054636401.db2.gz GJJJQFILLRNZTH-UHFFFAOYSA-N 0 0 368.481 2.952 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCC[C@H]2CO)cc1 ZINC001348111155 1054660441 /nfs/dbraw/zinc/66/04/41/1054660441.db2.gz SFGWYUVCWCKWKV-FQEVSTJZSA-N 0 0 354.450 2.823 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(C)cc(C)c1 ZINC001337827041 1055041453 /nfs/dbraw/zinc/04/14/53/1055041453.db2.gz UGOBMIFEEDLZJR-INIZCTEOSA-N 0 0 357.406 2.619 20 10 FFCDRN CCc1cccc(C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)c1O ZINC000848883325 1055298816 /nfs/dbraw/zinc/29/88/16/1055298816.db2.gz MHVHOVYKZRRVIZ-UHFFFAOYSA-N 0 0 374.506 2.851 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1CCS[C@H](c2ccccc2)C1 ZINC001349535160 1055325264 /nfs/dbraw/zinc/32/52/64/1055325264.db2.gz DCHALHBJPLSKSN-SFHVURJKSA-N 0 0 370.474 2.667 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CC)[C@H]1CCCCO1 ZINC000848939803 1055402599 /nfs/dbraw/zinc/40/25/99/1055402599.db2.gz QJTSHJZXUHPOQB-SJLPKXTDSA-N 0 0 362.470 2.595 20 10 FFCDRN Cc1cccc([C@@H]2C(=O)NCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000848951140 1055426481 /nfs/dbraw/zinc/42/64/81/1055426481.db2.gz OJEMFUDBFSXRRD-OAQYLSRUSA-N 0 0 365.477 2.505 20 10 FFCDRN CC(C)[C@H](NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC001349816413 1055483585 /nfs/dbraw/zinc/48/35/85/1055483585.db2.gz BLMKYFWNFOCLKU-IBGZPJMESA-N 0 0 372.513 2.622 20 10 FFCDRN CC(C)n1cc(C(=O)NCCc2ccc(N)cc2)c(C2CCOCC2)n1 ZINC001356629197 1055625898 /nfs/dbraw/zinc/62/58/98/1055625898.db2.gz MZYLKQAQOFJKIU-UHFFFAOYSA-N 0 0 356.470 2.913 20 10 FFCDRN CCc1nnc(N2CCCOCC2)n1Cc1ccc(N(CC)CC)cc1 ZINC001546519086 1071566920 /nfs/dbraw/zinc/56/69/20/1071566920.db2.gz XTXMEGQULCOBBL-UHFFFAOYSA-N 0 0 357.502 2.962 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCN(c2cccc(F)c2)CC1 ZINC001350470967 1055790186 /nfs/dbraw/zinc/79/01/86/1055790186.db2.gz VGKPZVUWWQYBML-UHFFFAOYSA-N 0 0 359.430 2.715 20 10 FFCDRN Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2CC2CC2)n(C)n1 ZINC001350518955 1055812520 /nfs/dbraw/zinc/81/25/20/1055812520.db2.gz WNSFBZYFNOGRTE-UHFFFAOYSA-N 0 0 352.442 2.739 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000847459450 1055828429 /nfs/dbraw/zinc/82/84/29/1055828429.db2.gz QMOSWXHSXYOQDK-GOSISDBHSA-N 0 0 374.485 2.656 20 10 FFCDRN COc1cccc(CNC(=O)CCN(C(=O)OC(C)(C)C)C2CC2)c1O ZINC000847590084 1056112655 /nfs/dbraw/zinc/11/26/55/1056112655.db2.gz RVEJVJUYICNACQ-UHFFFAOYSA-N 0 0 364.442 2.807 20 10 FFCDRN CCNc1cccnc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001351232036 1056147823 /nfs/dbraw/zinc/14/78/23/1056147823.db2.gz SZKCQEUIWRALES-UHFFFAOYSA-N 0 0 368.481 2.652 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C34CCC(CC3)CC4)cc2)CC1 ZINC001358148856 1056164311 /nfs/dbraw/zinc/16/43/11/1056164311.db2.gz SVWSQOYKYNZAPW-UHFFFAOYSA-N 0 0 369.509 2.942 20 10 FFCDRN CC[C@@H](C)CNC(=S)N1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001200263220 1056181138 /nfs/dbraw/zinc/18/11/38/1056181138.db2.gz VBLCRHFRWXHVGA-MRXNPFEDSA-N 0 0 365.543 2.754 20 10 FFCDRN C[C@@H]1CSCCN1c1nnc(C2SC=CC2=O)n1C[C@H]1CCCO1 ZINC001358235168 1056207911 /nfs/dbraw/zinc/20/79/11/1056207911.db2.gz JQNZXISHCRCUGV-VXGBXAGGSA-N 0 0 366.512 2.833 20 10 FFCDRN CCn1c(C[C@H](C)c2cnn(C)c2)nnc1N(C)Cc1ccccc1O ZINC001339301693 1056308560 /nfs/dbraw/zinc/30/85/60/1056308560.db2.gz BHJHNOSFQLRNCZ-AWEZNQCLSA-N 0 0 354.458 2.720 20 10 FFCDRN CCOc1cc2c(cc1CNC(=O)NCc1ccc(N)cc1)O[C@H](C)C2 ZINC001353492901 1056453012 /nfs/dbraw/zinc/45/30/12/1056453012.db2.gz PAHCVRWRVHFVRJ-CYBMUJFWSA-N 0 0 355.438 2.990 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCO[C@H](COc2ccccc2)C1 ZINC001339452574 1056468943 /nfs/dbraw/zinc/46/89/43/1056468943.db2.gz APURBAAAZDEOPC-AWEZNQCLSA-N 0 0 372.450 2.533 20 10 FFCDRN CO[C@@H]1CCC[C@H]1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC001353539867 1056513791 /nfs/dbraw/zinc/51/37/91/1056513791.db2.gz PBQNSIKNOXXACO-QHHYFVSCSA-N 0 0 364.461 2.871 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000849225356 1056803213 /nfs/dbraw/zinc/80/32/13/1056803213.db2.gz SLNHXAWITAHYDK-OAHLLOKOSA-N 0 0 369.421 2.502 20 10 FFCDRN CCN(C(C)=O)c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC000849347177 1056834274 /nfs/dbraw/zinc/83/42/74/1056834274.db2.gz VHPJJIFBWGZXJS-UHFFFAOYSA-N 0 0 367.497 2.818 20 10 FFCDRN CCC[C@@]12CCCN1C(=O)N([C@H]1CCN(c3ccc(OC)cc3)C1)C2=O ZINC000849355870 1056841614 /nfs/dbraw/zinc/84/16/14/1056841614.db2.gz BRQINWMCVZKROU-JXFKEZNVSA-N 0 0 357.454 2.871 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCN2CSCCSC2)c1 ZINC001445966998 1058463861 /nfs/dbraw/zinc/46/38/61/1058463861.db2.gz JNYSWRJNTLBLSF-GFCCVEGCSA-N 0 0 356.513 2.665 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H]3Cc4cccnc4C3)C2)cc1 ZINC001519117104 1058637170 /nfs/dbraw/zinc/63/71/70/1058637170.db2.gz OUWCGHTWNZPCTC-NVXWUHKLSA-N 0 0 352.434 2.875 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C(C)(F)F)n1C[C@@H]1CCOC1 ZINC001519694842 1058964936 /nfs/dbraw/zinc/96/49/36/1058964936.db2.gz CCVPOTBJDBGVLU-LBPRGKRZSA-N 0 0 352.385 2.768 20 10 FFCDRN CCCCOCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001514552343 1058980463 /nfs/dbraw/zinc/98/04/63/1058980463.db2.gz PNOOQMGWJCFSBB-QGZVFWFLSA-N 0 0 374.485 2.941 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(-c4ccc(C)o4)n[nH]3)C2)cc1 ZINC001300633778 1059100433 /nfs/dbraw/zinc/10/04/33/1059100433.db2.gz MDEOOCXSPJIODU-CQSZACIVSA-N 0 0 366.421 2.995 20 10 FFCDRN CC(=O)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1C ZINC001452488137 1059230952 /nfs/dbraw/zinc/23/09/52/1059230952.db2.gz HQTNOAUPAVEIFT-UHFFFAOYSA-N 0 0 362.407 2.527 20 10 FFCDRN Cc1ccc(C(=O)Nc2ccc(Br)c(CO)c2)c(O)c1O ZINC001452623530 1059264713 /nfs/dbraw/zinc/26/47/13/1059264713.db2.gz ATHBIANIBITPTJ-UHFFFAOYSA-N 0 0 352.184 2.913 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@](C)(O)c2ccc(F)cc2)cc1 ZINC001452832627 1059304306 /nfs/dbraw/zinc/30/43/06/1059304306.db2.gz GZKADGJQKAIGIX-HXUWFJFHSA-N 0 0 360.429 2.637 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCCC1(c2ccccc2)CC1 ZINC001354881015 1059595216 /nfs/dbraw/zinc/59/52/16/1059595216.db2.gz PGGDAUPVSJEXHU-UHFFFAOYSA-N 0 0 352.434 2.589 20 10 FFCDRN C[C@]1(c2cccc(NC(=O)C=Cc3ccc(O)c(O)c3)c2)COC(=O)N1 ZINC001455250416 1059739753 /nfs/dbraw/zinc/73/97/53/1059739753.db2.gz LKXCMVHMWRECBJ-ZLQZBKBYSA-N 0 0 354.362 2.705 20 10 FFCDRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1cc(O)ccc1O ZINC001455357627 1059770821 /nfs/dbraw/zinc/77/08/21/1059770821.db2.gz UPDDZMHVUHIDJM-SFHVURJKSA-N 0 0 372.421 2.665 20 10 FFCDRN CC(C)C[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1 ZINC001515952887 1059905470 /nfs/dbraw/zinc/90/54/70/1059905470.db2.gz HKZCBSAOOBXZCH-CRAIPNDOSA-N 0 0 374.485 2.736 20 10 FFCDRN CCN(C)c1nnc(-c2cnccn2)n1Cc1ccc2c(c1)CCCN2C ZINC001547329701 1071942214 /nfs/dbraw/zinc/94/22/14/1071942214.db2.gz RSSZJQDCKYFYKN-UHFFFAOYSA-N 0 0 363.469 2.622 20 10 FFCDRN CSCc1nc2ccccc2n1CC(=O)NCc1c(O)cccc1O ZINC001456237241 1060063878 /nfs/dbraw/zinc/06/38/78/1060063878.db2.gz USQLATSBPIYTIW-UHFFFAOYSA-N 0 0 357.435 2.627 20 10 FFCDRN Cc1cc(C(=O)N2CC3(C2)CCNC(=O)O3)c(C)n1-c1ccccc1C ZINC001456574134 1060156256 /nfs/dbraw/zinc/15/62/56/1060156256.db2.gz KOWGLQIWKLGXQK-UHFFFAOYSA-N 0 0 353.422 2.727 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c(F)ccc(O)c2O)C(C)(C)C1 ZINC001458020797 1060489846 /nfs/dbraw/zinc/48/98/46/1060489846.db2.gz CUHDBNHGQHKEBX-LBPRGKRZSA-N 0 0 368.405 2.612 20 10 FFCDRN CC(C)[C@@H]1CN(c2nnc(C3Sc4ncccc4C3=O)n2C)CCO1 ZINC001355801479 1060604496 /nfs/dbraw/zinc/60/44/96/1060604496.db2.gz QGXKOPTYEYIYBX-LBPRGKRZSA-N 0 0 359.455 2.659 20 10 FFCDRN C/C(=C\c1ccccn1)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000848832943 1060796326 /nfs/dbraw/zinc/79/63/26/1060796326.db2.gz TVMWNYGATUAFAN-DTQAZKPQSA-N 0 0 367.449 2.753 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1CCc1ccccn1 ZINC001548085206 1072015326 /nfs/dbraw/zinc/01/53/26/1072015326.db2.gz HJOXDHQJJTXGQR-UHFFFAOYSA-N 0 0 367.453 2.794 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)c2cccc(F)c2C)cc1 ZINC001475458519 1061099440 /nfs/dbraw/zinc/09/94/40/1061099440.db2.gz AGTQYTNURODHQJ-UHFFFAOYSA-N 0 0 366.458 2.900 20 10 FFCDRN Cc1cc(CCNC(=O)NCCC[S@@](C)=O)c(C)n1-c1ccccc1 ZINC001521778434 1061124545 /nfs/dbraw/zinc/12/45/45/1061124545.db2.gz LNQQXIISAMHLQX-RUZDIDTESA-N 0 0 361.511 2.704 20 10 FFCDRN Cc1c(NCc2ccc(N3CCCC3)cc2)cccc1C(=O)NCCO ZINC001461100347 1061210706 /nfs/dbraw/zinc/21/07/06/1061210706.db2.gz UUOUNRRVCJJNGY-UHFFFAOYSA-N 0 0 353.466 2.929 20 10 FFCDRN O=S(=O)(NCc1c(O)cccc1F)c1ccc(Br)cc1 ZINC001475706409 1061221487 /nfs/dbraw/zinc/22/14/87/1061221487.db2.gz AXXDKRPAAOFQFU-UHFFFAOYSA-N 0 0 360.204 2.772 20 10 FFCDRN C[C@@H](CO)c1nnc(N(C)Cc2ccccc2O)n1Cc1ccccc1 ZINC001522010207 1061439744 /nfs/dbraw/zinc/43/97/44/1061439744.db2.gz OBDXCVARZWFFGM-HNNXBMFYSA-N 0 0 352.438 2.764 20 10 FFCDRN NS(=O)(=O)c1ccc(CN2CCCc3cc(OC(F)F)ccc32)s1 ZINC001462051920 1061488932 /nfs/dbraw/zinc/48/89/32/1061488932.db2.gz NHVHTJPRFNHVAC-UHFFFAOYSA-N 0 0 374.434 2.950 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cccc4c3OCC4)CC2)cc1 ZINC001527715220 1061593614 /nfs/dbraw/zinc/59/36/14/1061593614.db2.gz RNUJVYUBWTVQKI-UHFFFAOYSA-N 0 0 352.434 2.983 20 10 FFCDRN CN(Cc1cccs1)c1ccc(CN(C)C2CS(=O)(=O)C2)cc1 ZINC001462514980 1061653108 /nfs/dbraw/zinc/65/31/08/1061653108.db2.gz ZUHLREMACCYEOZ-UHFFFAOYSA-N 0 0 350.509 2.613 20 10 FFCDRN O=C(NCCN1CCc2sccc2C1)NCc1cccc(Cl)c1O ZINC001477607179 1061751122 /nfs/dbraw/zinc/75/11/22/1061751122.db2.gz JJSGQCQEGTZZHI-UHFFFAOYSA-N 0 0 365.886 2.965 20 10 FFCDRN COC(=O)[C@]12CCC[C@H]1N(C(=O)NCc1ccc(N(C)C)cc1C)CC2 ZINC001477855128 1061823798 /nfs/dbraw/zinc/82/37/98/1061823798.db2.gz PXSKCDYTRIFGGG-XLIONFOSSA-N 0 0 359.470 2.688 20 10 FFCDRN O=C(NCc1n[nH]cc1Br)NCc1cccc(Cl)c1O ZINC001477946516 1061849336 /nfs/dbraw/zinc/84/93/36/1061849336.db2.gz ZSUDJYKKMBFPHS-UHFFFAOYSA-N 0 0 359.611 2.531 20 10 FFCDRN COc1cc(NC(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)n(C)n1 ZINC001462935454 1061854944 /nfs/dbraw/zinc/85/49/44/1061854944.db2.gz KEZJXSOAQDQKMJ-UHFFFAOYSA-N 0 0 368.437 2.910 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2C[C@@H](C)N(c3ccccc3)C2=O)c1 ZINC001478025866 1061876240 /nfs/dbraw/zinc/87/62/40/1061876240.db2.gz SDLXGPRZTONZKB-RHSMWYFYSA-N 0 0 353.422 2.694 20 10 FFCDRN O=C(NCCCSc1nccs1)NCCN1CCc2ccccc21 ZINC001478182332 1061934050 /nfs/dbraw/zinc/93/40/50/1061934050.db2.gz XKYUYQLRRMLKJI-UHFFFAOYSA-N 0 0 362.524 2.987 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NCc1ccccc1Cn1cncn1 ZINC001478526371 1062041717 /nfs/dbraw/zinc/04/17/17/1062041717.db2.gz CAVLRZMYBVOOCQ-UHFFFAOYSA-N 0 0 371.828 2.685 20 10 FFCDRN CC[C@H](CNC(=O)NCc1ccc(OC)cc1O)C(=O)OC(C)(C)C ZINC001479384266 1062336237 /nfs/dbraw/zinc/33/62/37/1062336237.db2.gz GOUSXMJXPAWHMR-GFCCVEGCSA-N 0 0 352.431 2.568 20 10 FFCDRN Cn1ncc(Br)c1C(=O)Nc1c2nonc2ccc1Cl ZINC001531533428 1062796286 /nfs/dbraw/zinc/79/62/86/1062796286.db2.gz KPFRIADXGJQZEB-UHFFFAOYSA-N 0 0 356.567 2.625 20 10 FFCDRN CCc1[nH]n(C)c2nnc(NC(=O)c3cc4cc(O)c(O)cc4s3)c1-2 ZINC001465033545 1062953603 /nfs/dbraw/zinc/95/36/03/1062953603.db2.gz RMDXNEBWSKKCNK-UHFFFAOYSA-N 0 0 357.395 2.737 20 10 FFCDRN COC(=O)c1ccnc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)c1 ZINC001532271029 1063017350 /nfs/dbraw/zinc/01/73/50/1063017350.db2.gz CNPQRPGPRUBJND-UHFFFAOYSA-N 0 0 373.372 2.830 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NC[C@H](O)c1ccc(Cl)cc1Cl ZINC001465856123 1063236046 /nfs/dbraw/zinc/23/60/46/1063236046.db2.gz KRYLGVAERZTMEI-HNNXBMFYSA-N 0 0 356.205 2.797 20 10 FFCDRN Nc1cc(Br)c(F)cc1C(=O)NCc1ccc(O)c(O)c1 ZINC001465954442 1063277062 /nfs/dbraw/zinc/27/70/62/1063277062.db2.gz PTTKEVGDBAQRIR-UHFFFAOYSA-N 0 0 355.163 2.512 20 10 FFCDRN Cc1cc(CC(=O)NN2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1 ZINC001466700041 1063527078 /nfs/dbraw/zinc/52/70/78/1063527078.db2.gz RCESIFKSDZOOMI-UHFFFAOYSA-N 0 0 373.412 2.964 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCc2cc(Br)ccc2C1 ZINC001466842732 1063573237 /nfs/dbraw/zinc/57/32/37/1063573237.db2.gz XXIXSEDXNGVHJA-UHFFFAOYSA-N 0 0 362.223 2.988 20 10 FFCDRN CC1(C)C[C@@]1(C)CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001468150343 1063934506 /nfs/dbraw/zinc/93/45/06/1063934506.db2.gz VFGLHDNQTWQDGK-KKSFZXQISA-N 0 0 372.513 2.624 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCn2ccc(C(F)(F)F)n2)cc1F ZINC001468353654 1063972451 /nfs/dbraw/zinc/97/24/51/1063972451.db2.gz AHGANGHPIFSAKU-UHFFFAOYSA-N 0 0 373.354 2.606 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@]2(C)COc3ccccc3O2)cc1F ZINC001468350476 1063972556 /nfs/dbraw/zinc/97/25/56/1063972556.db2.gz YYPSHMLVJUQPJO-HXUWFJFHSA-N 0 0 373.428 2.921 20 10 FFCDRN O=C(CCc1ccc([N+](=O)[O-])cc1Cl)NCc1ccc(O)cc1O ZINC001469160371 1064100850 /nfs/dbraw/zinc/10/08/50/1064100850.db2.gz FGUNITIYBVCGPX-UHFFFAOYSA-N 0 0 350.758 2.908 20 10 FFCDRN Cn1cc(CNC(=O)NCc2c(O)cccc2F)c(-c2ccccc2)n1 ZINC001469756053 1064205761 /nfs/dbraw/zinc/20/57/61/1064205761.db2.gz GUGVLBZOWOIRAF-UHFFFAOYSA-N 0 0 354.385 2.931 20 10 FFCDRN Cc1cc(CCNC(=O)c2cccn3nnnc23)c(C)n1-c1ccccc1 ZINC001470849636 1064467925 /nfs/dbraw/zinc/46/79/25/1064467925.db2.gz IRWVRRAASGHMLB-UHFFFAOYSA-N 0 0 360.421 2.504 20 10 FFCDRN Cc1cc(C)c(N2C[C@@H](C(=O)NCc3cc(O)ccc3O)CC2=O)c(C)c1 ZINC001471661012 1064750067 /nfs/dbraw/zinc/75/00/67/1064750067.db2.gz DERPKSGPUPHIFZ-INIZCTEOSA-N 0 0 368.433 2.692 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)/C=C/C(=O)OC)ccc21 ZINC001472399555 1065045118 /nfs/dbraw/zinc/04/51/18/1065045118.db2.gz PSNXRGSMOIPECG-PPGNKHEKSA-N 0 0 358.438 2.752 20 10 FFCDRN COc1cncn(CC(=O)c2cc(C)n(-c3ccc(Cl)cn3)c2C)c1=O ZINC001473070126 1065191950 /nfs/dbraw/zinc/19/19/50/1065191950.db2.gz QMORVJGUDIVMGE-UHFFFAOYSA-N 0 0 372.812 2.591 20 10 FFCDRN C[C@@](CO)(NC(=O)Cc1ccc(N)cc1)c1cccc(C(F)(F)F)c1 ZINC001576035560 1078189178 /nfs/dbraw/zinc/18/91/78/1078189178.db2.gz AKVUAFIYUIZKDD-KRWDZBQOSA-N 0 0 352.356 2.854 20 10 FFCDRN O=C1CN(Cc2ccc(Br)cc2O)CN1Cc1ccccc1 ZINC001474355524 1065501522 /nfs/dbraw/zinc/50/15/22/1065501522.db2.gz LQVQVHHKGHDPJB-UHFFFAOYSA-N 0 0 361.239 2.957 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N1CCC(F)(F)CC1 ZINC001474799249 1065609648 /nfs/dbraw/zinc/60/96/48/1065609648.db2.gz RBQRVVSMGHCRKM-UHFFFAOYSA-N 0 0 353.413 2.806 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CCOC(C)(C)C)cc1 ZINC001474858714 1065629311 /nfs/dbraw/zinc/62/93/11/1065629311.db2.gz UPLDLTWHLSGNDU-UHFFFAOYSA-N 0 0 354.516 2.862 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC001579253233 1078602214 /nfs/dbraw/zinc/60/22/14/1078602214.db2.gz JUABWQKYDZKEGB-UHFFFAOYSA-N 0 0 368.466 2.801 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)c(-c3nn[nH]n3)c(C)c2)c1 ZINC001580047330 1078738348 /nfs/dbraw/zinc/73/83/48/1078738348.db2.gz ZNNODAJYVGJJLM-LBPRGKRZSA-N 0 0 367.409 2.689 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@]23CC[C@H](CC2=O)C3(C)C)cc1 ZINC001583621287 1079242095 /nfs/dbraw/zinc/24/20/95/1079242095.db2.gz FLVHKYSQIHSGQS-VFNWGFHPSA-N 0 0 358.482 2.985 20 10 FFCDRN Cc1cc(CC(=O)NCCN2C[C@@H](C)OC[C@H]2C)c(C)n1-c1ccccc1 ZINC001584192131 1079319879 /nfs/dbraw/zinc/31/98/79/1079319879.db2.gz XATRVZSDGMBHEE-QZTJIDSGSA-N 0 0 369.509 2.862 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cccc(-n2cc[nH]c2=O)c1 ZINC001585222269 1079440565 /nfs/dbraw/zinc/44/05/65/1079440565.db2.gz KHMCBIOBDKNPEG-UHFFFAOYSA-N 0 0 360.464 2.947 20 10 FFCDRN Cc1nc(C2CC2)[nH]c(=S)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001556157840 1075710201 /nfs/dbraw/zinc/71/02/01/1075710201.db2.gz KTGRZOHOVOZRJR-SECBINFHSA-N 0 0 359.451 2.723 20 10 FFCDRN O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCc1ccc(O)cc1O ZINC001557084757 1075806342 /nfs/dbraw/zinc/80/63/42/1075806342.db2.gz NGBAJHRRTTZZAV-UHFFFAOYSA-N 0 0 366.204 2.911 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001557387873 1075844821 /nfs/dbraw/zinc/84/48/21/1075844821.db2.gz YUFKACGKYAIQDI-CQSZACIVSA-N 0 0 365.838 2.623 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001557387171 1075845183 /nfs/dbraw/zinc/84/51/83/1075845183.db2.gz QQXSPPJKRFPLDX-UHFFFAOYSA-N 0 0 364.770 2.889 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2cc(Br)cc(N)c2N)c1 ZINC001557552105 1075861424 /nfs/dbraw/zinc/86/14/24/1075861424.db2.gz CPSGXMNJEIYNKF-UHFFFAOYSA-N 0 0 350.216 2.558 20 10 FFCDRN Cc1nc(COc2cccc(C(=O)NCc3cc(C)ccc3O)c2)no1 ZINC001557554016 1075861498 /nfs/dbraw/zinc/86/14/98/1075861498.db2.gz VHFVRSJUTQNCOT-UHFFFAOYSA-N 0 0 353.378 2.901 20 10 FFCDRN CCc1ccccc1N1C[C@H](C(=O)NCc2c(O)cccc2F)CC1=O ZINC001558454640 1076009174 /nfs/dbraw/zinc/00/91/74/1076009174.db2.gz DRIBWEMJYWXYLF-CQSZACIVSA-N 0 0 356.397 2.763 20 10 FFCDRN CC(C)(C)n1cc(C(=O)C(=O)NCc2c(O)ccc3ccccc32)cn1 ZINC001558554326 1076031805 /nfs/dbraw/zinc/03/18/05/1076031805.db2.gz PHNRXMWFNDGBSL-UHFFFAOYSA-N 0 0 351.406 2.996 20 10 FFCDRN CC(C)N1CCc2c(c3ccccc3n2CC(=O)N2CCCC(=O)[C@H]2C)C1 ZINC001558649403 1076048484 /nfs/dbraw/zinc/04/84/84/1076048484.db2.gz IUNPPAHJRBEBGB-MRXNPFEDSA-N 0 0 367.493 2.988 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2O)C1 ZINC001559037647 1076118818 /nfs/dbraw/zinc/11/88/18/1076118818.db2.gz FRGMVHHWGVDVEW-WDEREUQCSA-N 0 0 368.405 2.660 20 10 FFCDRN COC(=O)CN(CCC(F)(F)F)Cc1cc(F)cc(C(C)=O)c1O ZINC001559592534 1076175375 /nfs/dbraw/zinc/17/53/75/1076175375.db2.gz PVVTWAJLFFINFB-UHFFFAOYSA-N 0 0 351.296 2.661 20 10 FFCDRN Cc1ccc(CN2CCO[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001560672238 1076290475 /nfs/dbraw/zinc/29/04/75/1076290475.db2.gz ZPFFFHQWKCLOND-PBHICJAKSA-N 0 0 350.459 2.815 20 10 FFCDRN COc1cc(C)c(CNc2cc(NS(C)(=O)=O)ccc2OC)c(O)c1 ZINC001560844381 1076304229 /nfs/dbraw/zinc/30/42/29/1076304229.db2.gz BPIVJOHHPGWGKI-UHFFFAOYSA-N 0 0 366.439 2.701 20 10 FFCDRN COc1ccc(CNCc2ncccc2Br)c(O)c1OC ZINC001561048507 1076324728 /nfs/dbraw/zinc/32/47/28/1076324728.db2.gz XHVXMJIQZTVZDF-UHFFFAOYSA-N 0 0 353.216 2.857 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)Cc2ccc(-n3cccn3)cc2)cc1 ZINC001561086061 1076330409 /nfs/dbraw/zinc/33/04/09/1076330409.db2.gz UDHDEGKBSJXUAH-UHFFFAOYSA-N 0 0 370.478 2.558 20 10 FFCDRN COC(=O)c1cccc(S(=O)(=O)NCc2cc(Cl)ccc2O)c1C ZINC001561724790 1076413071 /nfs/dbraw/zinc/41/30/71/1076413071.db2.gz CLOCHTCEDMQPKB-UHFFFAOYSA-N 0 0 369.826 2.619 20 10 FFCDRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)c2cccnc12 ZINC001561837564 1076431754 /nfs/dbraw/zinc/43/17/54/1076431754.db2.gz 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FFCDRN COCCCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000121200251 509149063 /nfs/dbraw/zinc/14/90/63/509149063.db2.gz ZEDIJDHUYXVOBJ-UHFFFAOYSA-N 0 0 374.403 2.975 20 10 FFCDRN CS(=O)(=O)c1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156343410 509162757 /nfs/dbraw/zinc/16/27/57/509162757.db2.gz UEEHJCZPCBKBIF-UHFFFAOYSA-N 0 0 359.447 2.605 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](OCCOC)C2)cc1F ZINC000188643873 509189001 /nfs/dbraw/zinc/18/90/01/509189001.db2.gz MUBWWGLSVNFULX-INIZCTEOSA-N 0 0 367.465 2.619 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCCCc2cnn(C)c2)C2CC2)cc1 ZINC000263878672 509202540 /nfs/dbraw/zinc/20/25/40/509202540.db2.gz AUMRVIHBABHRGC-UHFFFAOYSA-N 0 0 355.486 2.793 20 10 FFCDRN COc1cc(N2CCN(C(=O)c3ccsc3)CC2)cc(OC)c1OC ZINC000185497492 509206291 /nfs/dbraw/zinc/20/62/91/509206291.db2.gz PTVWUJKZDYDBSU-UHFFFAOYSA-N 0 0 362.451 2.736 20 10 FFCDRN CC(=O)c1ccc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)nc1 ZINC000191857712 509216151 /nfs/dbraw/zinc/21/61/51/509216151.db2.gz DCOXOADPCZTMNN-UHFFFAOYSA-N 0 0 352.438 2.565 20 10 FFCDRN Cc1n[nH]c(C)c1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000264020558 509285866 /nfs/dbraw/zinc/28/58/66/509285866.db2.gz LYCXDXVQXKEPAR-BETUJISGSA-N 0 0 374.460 2.638 20 10 FFCDRN Cc1n[nH]c(C)c1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000264020560 509286372 /nfs/dbraw/zinc/28/63/72/509286372.db2.gz LYCXDXVQXKEPAR-CHWSQXEVSA-N 0 0 374.460 2.638 20 10 FFCDRN CCN(C)C(=O)c1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000264155001 509355508 /nfs/dbraw/zinc/35/55/08/509355508.db2.gz LTPFUGJOHJMXBA-UHFFFAOYSA-N 0 0 357.429 2.914 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1ccc2c(c1)OCCO2 ZINC000173192511 509446625 /nfs/dbraw/zinc/44/66/25/509446625.db2.gz WIFGMNAVCIIGGD-UHFFFAOYSA-N 0 0 368.433 2.882 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000173193279 509446793 /nfs/dbraw/zinc/44/67/93/509446793.db2.gz ULFOBMAFONMJQS-ZDUSSCGKSA-N 0 0 371.403 2.752 20 10 FFCDRN Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173197358 509450234 /nfs/dbraw/zinc/45/02/34/509450234.db2.gz VIWCMCHJMGTQOV-ZDUSSCGKSA-N 0 0 356.470 2.707 20 10 FFCDRN COC(=O)c1ccc(CCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173200159 509451950 /nfs/dbraw/zinc/45/19/50/509451950.db2.gz HDRKSIFZGMAZQW-UHFFFAOYSA-N 0 0 368.433 2.897 20 10 FFCDRN CC(C)NS(=O)(=O)CC[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-] ZINC000185971215 509457512 /nfs/dbraw/zinc/45/75/12/509457512.db2.gz UTEXXHDQJPYGBA-SECBINFHSA-N 0 0 355.287 2.677 20 10 FFCDRN CCS[C@H]1CCC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000267360100 509465868 /nfs/dbraw/zinc/46/58/68/509465868.db2.gz PKKCBCXUKOQJRY-AAEUAGOBSA-N 0 0 372.512 2.558 20 10 FFCDRN CC(C)[C@@H](NC(=O)Cc1ccc(N)cc1)c1nc(-c2ccncc2)no1 ZINC000236617555 509466367 /nfs/dbraw/zinc/46/63/67/509466367.db2.gz KFOVTHFMNDKLCB-QGZVFWFLSA-N 0 0 351.410 2.770 20 10 FFCDRN O=C(NCc1cccc(CO)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264394321 509500503 /nfs/dbraw/zinc/50/05/03/509500503.db2.gz ISOYSHDXGLMMLG-IBGZPJMESA-N 0 0 370.449 2.775 20 10 FFCDRN COc1ccc(F)cc1C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 ZINC000189332862 509524573 /nfs/dbraw/zinc/52/45/73/509524573.db2.gz OTRLCKKTRXKOEW-UHFFFAOYSA-N 0 0 371.412 2.755 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)c2ncnc3c2cnn3C)cc1 ZINC000165749564 509582794 /nfs/dbraw/zinc/58/27/94/509582794.db2.gz XOLKWPXKUZRZHL-QGZVFWFLSA-N 0 0 366.469 2.615 20 10 FFCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 ZINC000186260870 509608291 /nfs/dbraw/zinc/60/82/91/509608291.db2.gz HKJWSHXOCAJUJK-OAHLLOKOSA-N 0 0 370.449 2.975 20 10 FFCDRN COc1cc(CCC(=O)NCCc2ccc(N)cc2)cc(OC)c1OC ZINC000237317763 509621501 /nfs/dbraw/zinc/62/15/01/509621501.db2.gz DINVHYLTEGNGGE-UHFFFAOYSA-N 0 0 358.438 2.586 20 10 FFCDRN Cc1nn(C)c(C)c1CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264682506 509643085 /nfs/dbraw/zinc/64/30/85/509643085.db2.gz LDDGCUYKINRYHD-GOSISDBHSA-N 0 0 371.481 2.883 20 10 FFCDRN Cc1ccc(N2CCC(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)CC2)nc1 ZINC000186377686 509679692 /nfs/dbraw/zinc/67/96/92/509679692.db2.gz OHIXRDBVCDFKDP-OAHLLOKOSA-N 0 0 369.465 2.765 20 10 FFCDRN C[S@@](=O)c1cccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000264773558 509695232 /nfs/dbraw/zinc/69/52/32/509695232.db2.gz OUBKADLWANLTOA-GYAHLDOBSA-N 0 0 370.474 2.913 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(C)n1 ZINC000268060572 509740889 /nfs/dbraw/zinc/74/08/89/509740889.db2.gz YJXZJDOTJIUPGB-UHFFFAOYSA-N 0 0 366.465 2.894 20 10 FFCDRN CN(C(=O)c1cccc(O)c1O)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000193062894 509760078 /nfs/dbraw/zinc/76/00/78/509760078.db2.gz UFONSEWOPWKGNY-AWEZNQCLSA-N 0 0 360.797 2.629 20 10 FFCDRN COc1ccc(N(C)C[C@H](O)COc2c(OC)cccc2OC)cc1F ZINC000268124050 509769767 /nfs/dbraw/zinc/76/97/67/509769767.db2.gz AWBWPEQIWYKVNC-AWEZNQCLSA-N 0 0 365.401 2.728 20 10 FFCDRN Cc1[nH]nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1C ZINC000265188282 509909336 /nfs/dbraw/zinc/90/93/36/509909336.db2.gz HACMDMILDDOQHW-VXGBXAGGSA-N 0 0 360.433 2.709 20 10 FFCDRN Cc1ccc(N2CCOC2=O)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000268458421 509944163 /nfs/dbraw/zinc/94/41/63/509944163.db2.gz HLEHHQUAINCYCW-UHFFFAOYSA-N 0 0 371.393 2.727 20 10 FFCDRN Cc1cc(CS(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)no1 ZINC000265361372 510013573 /nfs/dbraw/zinc/01/35/73/510013573.db2.gz TYIAYEREPHTRAU-UHFFFAOYSA-N 0 0 363.483 2.839 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000183871322 510016189 /nfs/dbraw/zinc/01/61/89/510016189.db2.gz IJQKTGWEPCXBTK-GOSISDBHSA-N 0 0 372.444 2.698 20 10 FFCDRN Cc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)c(C)c(C)c1O ZINC000187058461 510031550 /nfs/dbraw/zinc/03/15/50/510031550.db2.gz DGFNYJBYWQCBFI-UHFFFAOYSA-N 0 0 360.435 2.637 20 10 FFCDRN COc1ccnc(CN(C)Cc2ccc(N3CCOCC3)cc2)c1OC ZINC000190317602 510060875 /nfs/dbraw/zinc/06/08/75/510060875.db2.gz GWQNDSFCGQVKAE-UHFFFAOYSA-N 0 0 357.454 2.567 20 10 FFCDRN COc1ccccc1N1CC[C@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180731334 510078407 /nfs/dbraw/zinc/07/84/07/510078407.db2.gz OMYYNOFERDMQKT-MNDMWVCDSA-N 0 0 368.433 2.762 20 10 FFCDRN COc1ccc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)nn1 ZINC000265553477 510111774 /nfs/dbraw/zinc/11/17/74/510111774.db2.gz NXEQEWQGFHRCLR-UHFFFAOYSA-N 0 0 366.421 2.987 20 10 FFCDRN COc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1F ZINC000187314765 510190004 /nfs/dbraw/zinc/19/00/04/510190004.db2.gz XPBBJAFOMDJBNX-UHFFFAOYSA-N 0 0 371.412 2.689 20 10 FFCDRN CC(C)(C)OC(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000269057912 510214200 /nfs/dbraw/zinc/21/42/00/510214200.db2.gz AJYXCVNEWSQFBY-CYBMUJFWSA-N 0 0 350.415 2.504 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(F)cc3F)cc2)CC1 ZINC000190572064 510215036 /nfs/dbraw/zinc/21/50/36/510215036.db2.gz VODFCXNNBNEPTN-UHFFFAOYSA-N 0 0 373.403 2.563 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H]3CCC[C@@H]3C)cc2)CC1 ZINC000190575522 510216482 /nfs/dbraw/zinc/21/64/82/510216482.db2.gz ZGJNXVAIQPCAAU-QFBILLFUSA-N 0 0 357.498 2.798 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccsc3)cc2)CC1 ZINC000190582691 510221265 /nfs/dbraw/zinc/22/12/65/510221265.db2.gz BUNNPZARYPIAIG-UHFFFAOYSA-N 0 0 371.506 2.666 20 10 FFCDRN C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000269121335 510244452 /nfs/dbraw/zinc/24/44/52/510244452.db2.gz DLFSSQCIEHZWQC-WBMJQRKESA-N 0 0 354.406 2.665 20 10 FFCDRN COC(=O)[C@H]1CCC[C@H](C(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000174718375 510269604 /nfs/dbraw/zinc/26/96/04/510269604.db2.gz DXTCPCJIICABKR-IRXDYDNUSA-N 0 0 374.481 2.713 20 10 FFCDRN COC1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCCCC1 ZINC000187498326 510301605 /nfs/dbraw/zinc/30/16/05/510301605.db2.gz BPBFLVRVJPMVTQ-UHFFFAOYSA-N 0 0 364.461 2.752 20 10 FFCDRN COc1cc(N(C)Cc2csc(NC(C)=O)n2)cc(OC)c1OC ZINC000266019502 510362497 /nfs/dbraw/zinc/36/24/97/510362497.db2.gz OMUZRZKDJKQGGN-UHFFFAOYSA-N 0 0 351.428 2.764 20 10 FFCDRN Cc1cc(C(=O)CN2CCC(NC(N)=O)CC2)c(C)n1-c1ccc(F)cc1 ZINC000174918269 510386620 /nfs/dbraw/zinc/38/66/20/510386620.db2.gz VZJGHKXKUMFUBX-UHFFFAOYSA-N 0 0 372.444 2.549 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187694064 510390773 /nfs/dbraw/zinc/39/07/73/510390773.db2.gz NABXYNQFAGXHLV-GHMZBOCLSA-N 0 0 370.421 2.990 20 10 FFCDRN Cc1nc(C)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)o1 ZINC000266118614 510418048 /nfs/dbraw/zinc/41/80/48/510418048.db2.gz HKTMQOAATHBZBR-TXEJJXNPSA-N 0 0 361.417 2.974 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000190964043 510438709 /nfs/dbraw/zinc/43/87/09/510438709.db2.gz YAZKDGXDOVIWNH-VIFPVBQESA-N 0 0 358.320 2.609 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1ccncc1 ZINC000181586942 510486780 /nfs/dbraw/zinc/48/67/80/510486780.db2.gz FYVVKGBXYQLVGP-UHFFFAOYSA-N 0 0 362.813 2.575 20 10 FFCDRN CCOC(=O)N1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000194771969 510521996 /nfs/dbraw/zinc/52/19/96/510521996.db2.gz HEJXDWAGMKEVFR-UHFFFAOYSA-N 0 0 370.453 2.794 20 10 FFCDRN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@H](O)COc1ccc(F)cc1 ZINC000184829292 510535626 /nfs/dbraw/zinc/53/56/26/510535626.db2.gz KYWDOOYBDONUHY-FQEVSTJZSA-N 0 0 374.456 2.534 20 10 FFCDRN COC(=O)c1c(C)[nH]c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000266360654 510538494 /nfs/dbraw/zinc/53/84/94/510538494.db2.gz RQNBWASJSKCSBI-UHFFFAOYSA-N 0 0 357.410 2.523 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2cccnc2)cc1 ZINC000172114276 510550550 /nfs/dbraw/zinc/55/05/50/510550550.db2.gz VRKQTPLYRZMRRJ-HXUWFJFHSA-N 0 0 353.466 2.898 20 10 FFCDRN COc1ccc(N(C)C[C@H](O)COc2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000269809872 510554822 /nfs/dbraw/zinc/55/48/22/510554822.db2.gz LYKGUJRIPATNGQ-INIZCTEOSA-N 0 0 374.437 2.538 20 10 FFCDRN COCCOCCS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000269822940 510559823 /nfs/dbraw/zinc/55/98/23/510559823.db2.gz YOWVUZRTHSUIPC-UHFFFAOYSA-N 0 0 371.499 2.520 20 10 FFCDRN CSCc1noc(CCC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000178511459 510638830 /nfs/dbraw/zinc/63/88/30/510638830.db2.gz WVCPIXYOTXZVAK-UHFFFAOYSA-N 0 0 360.483 2.782 20 10 FFCDRN Cc1ccc(F)cc1/C=C1\SC(=S)N(CCN2CCOCC2)C1=O ZINC000182077004 510744168 /nfs/dbraw/zinc/74/41/68/510744168.db2.gz VPUTWVJCXJODQQ-PTNGSMBKSA-N 0 0 366.483 2.668 20 10 FFCDRN COC(=O)CSCCC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000263709227 510802894 /nfs/dbraw/zinc/80/28/94/510802894.db2.gz AFJKWWOARMCGSP-UHFFFAOYSA-N 0 0 364.511 2.932 20 10 FFCDRN COCC[C@H](C)NC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000263742542 510820333 /nfs/dbraw/zinc/82/03/33/510820333.db2.gz VXGAFAHZCMJHFW-KKUMJFAQSA-N 0 0 367.465 2.664 20 10 FFCDRN Cc1ccc(CN2CC[C@@H](NC(=O)N(C)Cc3ccccc3O)C2=O)cc1 ZINC000188566439 510828276 /nfs/dbraw/zinc/82/82/76/510828276.db2.gz AWDWQDGYUFSLES-GOSISDBHSA-N 0 0 367.449 2.643 20 10 FFCDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1ccc(C)c(O)c1O ZINC000182327480 510850971 /nfs/dbraw/zinc/85/09/71/510850971.db2.gz VYMCGQCOOIQYHV-UHFFFAOYSA-N 0 0 356.422 2.770 20 10 FFCDRN COc1c([O-])c(C[NH+]2CCC(CO)(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000293894564 510889338 /nfs/dbraw/zinc/88/93/38/510889338.db2.gz KPBVRZRPYRVLSD-UHFFFAOYSA-N 0 0 372.421 2.835 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1nnc(C2CC2)[nH]1 ZINC000297289342 510889852 /nfs/dbraw/zinc/88/98/52/510889852.db2.gz AAWSZVLKIKVKBZ-UHFFFAOYSA-N 0 0 356.474 2.868 20 10 FFCDRN COCC1(CCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCC1 ZINC000293902736 510893072 /nfs/dbraw/zinc/89/30/72/510893072.db2.gz MXJNKGGAUZMZQV-VMPITWQZSA-N 0 0 358.482 2.859 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ncn(C)n1 ZINC000275505418 510900914 /nfs/dbraw/zinc/90/09/14/510900914.db2.gz LUDSSKSWNLJWFX-HNNXBMFYSA-N 0 0 356.474 2.708 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC000275488780 510901926 /nfs/dbraw/zinc/90/19/26/510901926.db2.gz KZLILOZCBTYLBG-UHFFFAOYSA-N 0 0 352.442 2.539 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CCn3cncn3)cc2Cl)C1 ZINC000282287924 510915673 /nfs/dbraw/zinc/91/56/73/510915673.db2.gz RESWMBVUKZQNSN-CQSZACIVSA-N 0 0 361.877 2.874 20 10 FFCDRN Cc1cnc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)s1 ZINC000275808291 510918699 /nfs/dbraw/zinc/91/86/99/510918699.db2.gz ZHGLTWJUTUOMTK-UHFFFAOYSA-N 0 0 360.483 2.893 20 10 FFCDRN Cc1cnc(Cl)c(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000276330786 510933084 /nfs/dbraw/zinc/93/30/84/510933084.db2.gz IKBDGUOBNPHKQH-UHFFFAOYSA-N 0 0 372.856 2.681 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CC(=O)c2ccccc21 ZINC000277150679 510955498 /nfs/dbraw/zinc/95/54/98/510955498.db2.gz KIMGXMSMVVHCFA-KRWDZBQOSA-N 0 0 368.408 2.649 20 10 FFCDRN O=C1[C@H]2CCCN2C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000277214870 510957069 /nfs/dbraw/zinc/95/70/69/510957069.db2.gz KZHZAZOWGGPJRO-UKRRQHHQSA-N 0 0 365.380 2.683 20 10 FFCDRN Cc1nn(C)cc1[C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277333840 510960366 /nfs/dbraw/zinc/96/03/66/510960366.db2.gz MRKYJTVTPMNWEA-NSHDSACASA-N 0 0 362.817 2.613 20 10 FFCDRN Cc1cc(C[C@@H](C)NC(=O)NCc2cccc(Br)c2O)[nH]n1 ZINC000277330152 510960815 /nfs/dbraw/zinc/96/08/15/510960815.db2.gz FAKBUXWBBLEOEF-SECBINFHSA-N 0 0 367.247 2.617 20 10 FFCDRN CCN(CC)C(=O)CCCC(=O)NCc1cccc(Br)c1O ZINC000277561307 510966138 /nfs/dbraw/zinc/96/61/38/510966138.db2.gz PKWSYRAUOJRJJN-UHFFFAOYSA-N 0 0 371.275 2.810 20 10 FFCDRN C[C@H](NC(=O)NCc1cccc(Br)c1O)C1CCOCC1 ZINC000277588646 510966957 /nfs/dbraw/zinc/96/69/57/510966957.db2.gz TYSMEDKRSDDZTF-JTQLQIEISA-N 0 0 357.248 2.769 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(OCC(F)(F)F)cn1 ZINC000277695040 510969447 /nfs/dbraw/zinc/96/94/47/510969447.db2.gz HHOFNOGKYRLRKK-SNVBAGLBSA-N 0 0 370.327 2.795 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277671418 510969491 /nfs/dbraw/zinc/96/94/91/510969491.db2.gz DPAXNTNBXKILOJ-DZGCQCFKSA-N 0 0 359.392 2.597 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCc2cccnc21 ZINC000277711139 510970594 /nfs/dbraw/zinc/97/05/94/510970594.db2.gz MNTKTINPWJECHP-LJQANCHMSA-N 0 0 351.450 2.655 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Cl)cn2)C2CC2)cc1 ZINC000278534983 510997379 /nfs/dbraw/zinc/99/73/79/510997379.db2.gz NEEVHNCLHHUGBT-UHFFFAOYSA-N 0 0 372.856 2.931 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@]2(CO)CCOc3ccccc32)c1[O-] ZINC000282511200 511007137 /nfs/dbraw/zinc/00/71/37/511007137.db2.gz XKPQHIYCJANSLA-QGZVFWFLSA-N 0 0 364.785 2.714 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CC[C@H]1CCOC1 ZINC000294264975 511007119 /nfs/dbraw/zinc/00/71/19/511007119.db2.gz XDBMONOXMKJQCP-GOSISDBHSA-N 0 0 366.527 2.865 20 10 FFCDRN COc1cc2c(cc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])O[C@@H](C)C2 ZINC000278948966 511014972 /nfs/dbraw/zinc/01/49/72/511014972.db2.gz ZBDIYVJPDXBJOO-NSHDSACASA-N 0 0 374.393 2.931 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cccc(=O)[nH]2)cc1 ZINC000279140573 511020801 /nfs/dbraw/zinc/02/08/01/511020801.db2.gz DALANSPLVGOKIC-QGZVFWFLSA-N 0 0 355.438 2.675 20 10 FFCDRN Cc1noc(C)c1C(C)(C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287067123 511039743 /nfs/dbraw/zinc/03/97/43/511039743.db2.gz HCWIPOHKAMYMML-UHFFFAOYSA-N 0 0 372.469 2.863 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccccc1C ZINC000282598524 511040922 /nfs/dbraw/zinc/04/09/22/511040922.db2.gz UIHHCWACRJIVQH-MRXNPFEDSA-N 0 0 360.479 2.662 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(NC(C)=O)nc2)cc1 ZINC000279345693 511051778 /nfs/dbraw/zinc/05/17/78/511051778.db2.gz CFQFFPBEAZNVED-UHFFFAOYSA-N 0 0 369.469 2.886 20 10 FFCDRN Cc1noc([C@H]2CCCN2C(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000287555235 511052812 /nfs/dbraw/zinc/05/28/12/511052812.db2.gz VWBIMHVYZVOUQR-QGZVFWFLSA-N 0 0 353.426 2.801 20 10 FFCDRN COCCCN(C)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000297744175 511054386 /nfs/dbraw/zinc/05/43/86/511054386.db2.gz FOPOYXJIPOEBHI-UHFFFAOYSA-N 0 0 362.470 2.548 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000287741854 511056829 /nfs/dbraw/zinc/05/68/29/511056829.db2.gz DOKVESIDHHJSLK-UHFFFAOYSA-N 0 0 361.829 2.982 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CC1(F)F ZINC000294413573 511057289 /nfs/dbraw/zinc/05/72/89/511057289.db2.gz JWVZACIGCWPXBD-ZDUSSCGKSA-N 0 0 364.314 2.813 20 10 FFCDRN CC[C@H](C)[C@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000297752659 511057774 /nfs/dbraw/zinc/05/77/74/511057774.db2.gz KLYCQMOHHXZQGT-LPHOPBHVSA-N 0 0 363.502 2.726 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@](F)(CO)C3)cc2)CC1 ZINC000287811017 511058154 /nfs/dbraw/zinc/05/81/54/511058154.db2.gz SRLKAEYZYKTYHI-HXUWFJFHSA-N 0 0 363.477 2.929 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCCCn1cc(Br)cn1 ZINC000288927622 511088910 /nfs/dbraw/zinc/08/89/10/511088910.db2.gz YBNWIEDLKVFKFE-UHFFFAOYSA-N 0 0 367.247 2.583 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H]1COc2ccccc21 ZINC000289242753 511095665 /nfs/dbraw/zinc/09/56/65/511095665.db2.gz OZZLJXVIWARZSN-HKMNZKMDSA-N 0 0 364.445 2.829 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000289373893 511099422 /nfs/dbraw/zinc/09/94/22/511099422.db2.gz BOEKBNJXKDVHCQ-LLVKDONJSA-N 0 0 365.065 2.778 20 10 FFCDRN COC[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])OCCc2ccccc21 ZINC000289817394 511116658 /nfs/dbraw/zinc/11/66/58/511116658.db2.gz LYGAFRAHWGBXMZ-LJQANCHMSA-N 0 0 358.394 2.505 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)[C@H](CNC(=O)OC(C)(C)C)OC ZINC000289857217 511117744 /nfs/dbraw/zinc/11/77/44/511117744.db2.gz QTSDAGAZDMGOOG-INIZCTEOSA-N 0 0 366.458 2.671 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CCc1ccccc1 ZINC000297966657 511125944 /nfs/dbraw/zinc/12/59/44/511125944.db2.gz XTJQJUSREROSEM-UHFFFAOYSA-N 0 0 367.493 2.802 20 10 FFCDRN Cc1cc(=O)cc(C)n1CCCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000290310432 511134234 /nfs/dbraw/zinc/13/42/34/511134234.db2.gz ZSGRBAWHLWUGQH-UHFFFAOYSA-N 0 0 359.445 2.767 20 10 FFCDRN Cc1ccc(C(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)c(O)c1O ZINC000271279065 511147067 /nfs/dbraw/zinc/14/70/67/511147067.db2.gz NOWKJFMPGKLRCH-UHFFFAOYSA-N 0 0 370.405 2.753 20 10 FFCDRN COc1ccc([C@H](O)C2CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000291331591 511165539 /nfs/dbraw/zinc/16/55/39/511165539.db2.gz UGINKNBYIVVWCO-SFHVURJKSA-N 0 0 357.406 2.692 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2nc(-c3cc(C)ccn3)no2)cc1 ZINC000294916970 511220175 /nfs/dbraw/zinc/22/01/75/511220175.db2.gz GGFODHOHHLDJDB-UHFFFAOYSA-N 0 0 368.393 2.628 20 10 FFCDRN Cc1cc(C(=O)NC[C@H]2COC3(CCCC3)O2)c(C)n1-c1ccccn1 ZINC000271516073 511230560 /nfs/dbraw/zinc/23/05/60/511230560.db2.gz GFQWPNOGOGFXBK-INIZCTEOSA-N 0 0 355.438 2.905 20 10 FFCDRN Cc1ccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000283125328 511245192 /nfs/dbraw/zinc/24/51/92/511245192.db2.gz AUHXWPUHZUXVHK-UHFFFAOYSA-N 0 0 351.450 2.528 20 10 FFCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)NCCc2cccs2)s1 ZINC000295001187 511248936 /nfs/dbraw/zinc/24/89/36/511248936.db2.gz DCJDLCRRWBLPKY-VIFPVBQESA-N 0 0 356.494 2.831 20 10 FFCDRN CCOCc1cc(CN[C@@H](c2nccn2C)C(C)(C)CO)ccc1OC ZINC000295044565 511262065 /nfs/dbraw/zinc/26/20/65/511262065.db2.gz MWNGNUKWVUSCGR-SFHVURJKSA-N 0 0 361.486 2.815 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000283235160 511289741 /nfs/dbraw/zinc/28/97/41/511289741.db2.gz JBPANHIYWIVUKQ-INIZCTEOSA-N 0 0 351.450 2.780 20 10 FFCDRN Cn1ccnc1[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)CO ZINC000295143729 511297928 /nfs/dbraw/zinc/29/79/28/511297928.db2.gz ZZQFUCUWKGMNNP-AWEZNQCLSA-N 0 0 368.821 2.537 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N(C)CC2(c3ccccc3)CC2)cc1 ZINC000283372584 511341459 /nfs/dbraw/zinc/34/14/59/511341459.db2.gz GBRVHGFSGVEWRY-UHFFFAOYSA-N 0 0 365.477 2.559 20 10 FFCDRN CCCCOc1cccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000271874173 511355157 /nfs/dbraw/zinc/35/51/57/511355157.db2.gz RCPDKFODSFXVRM-UHFFFAOYSA-N 0 0 372.421 2.574 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)c1 ZINC000365275951 511356690 /nfs/dbraw/zinc/35/66/90/511356690.db2.gz VPCPCOQVKBOGLL-HXUWFJFHSA-N 0 0 368.433 2.771 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N(C)Cc2cccc(Cl)c2)cc1 ZINC000283413392 511358329 /nfs/dbraw/zinc/35/83/29/511358329.db2.gz ILNBOKVKXMODJA-UHFFFAOYSA-N 0 0 359.857 2.681 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc3n(n2)CCO3)cc1 ZINC000291848503 511363060 /nfs/dbraw/zinc/36/30/60/511363060.db2.gz SXTIBQYZXUNEDI-UHFFFAOYSA-N 0 0 368.359 2.546 20 10 FFCDRN Cc1ccc([C@H](C)N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000283428531 511364177 /nfs/dbraw/zinc/36/41/77/511364177.db2.gz JCMZUGWAJHNBHQ-INIZCTEOSA-N 0 0 353.466 2.897 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@]3(CCO[C@@H]3C)C2)c(C)n1-c1ccccn1 ZINC000280232731 511385511 /nfs/dbraw/zinc/38/55/11/511385511.db2.gz XRGNXWARASVGOY-UZLBHIALSA-N 0 0 355.438 2.509 20 10 FFCDRN CS(=O)(=O)Nc1ccc(NS(=O)(=O)C2=CCCCC2)cc1Cl ZINC000295391738 511388872 /nfs/dbraw/zinc/38/88/72/511388872.db2.gz VDUONTUVTSJTHO-UHFFFAOYSA-N 0 0 364.876 2.911 20 10 FFCDRN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC000271979734 511389705 /nfs/dbraw/zinc/38/97/05/511389705.db2.gz OHZRAAPVXHJJFH-WBTNSWJXSA-N 0 0 364.461 2.871 20 10 FFCDRN CC1(C)NC(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O ZINC000272060762 511417828 /nfs/dbraw/zinc/41/78/28/511417828.db2.gz CIWHYYSKLUDUNK-GFCCVEGCSA-N 0 0 353.369 2.587 20 10 FFCDRN CCn1nncc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000298833318 511425379 /nfs/dbraw/zinc/42/53/79/511425379.db2.gz VYPNKEKBDXFGEN-UHFFFAOYSA-N 0 0 355.364 2.569 20 10 FFCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SC[C@@H]1CNC(=O)O1 ZINC000298851923 511430338 /nfs/dbraw/zinc/43/03/38/511430338.db2.gz NDYWAPZSGODNPJ-LBPRGKRZSA-N 0 0 361.423 2.542 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](C)CO[C@H]1CCOC1 ZINC000283606690 511432124 /nfs/dbraw/zinc/43/21/24/511432124.db2.gz LQEOFKCZEUSNFJ-RDJZCZTQSA-N 0 0 350.459 2.898 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@]2(CCOC2)O1 ZINC000365413949 511436449 /nfs/dbraw/zinc/43/64/49/511436449.db2.gz YKEUMCPILDWZNT-WIYYLYMNSA-N 0 0 373.497 2.549 20 10 FFCDRN COc1cccc(CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)c1O ZINC000295543881 511440965 /nfs/dbraw/zinc/44/09/65/511440965.db2.gz JUWOZKXTPUZHJM-UHFFFAOYSA-N 0 0 367.389 2.941 20 10 FFCDRN CC(C)[C@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000298899103 511447240 /nfs/dbraw/zinc/44/72/40/511447240.db2.gz MHRFQGNQKWQMMH-SFHVURJKSA-N 0 0 371.485 2.616 20 10 FFCDRN CN(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCOC1 ZINC000363296244 511468684 /nfs/dbraw/zinc/46/86/84/511468684.db2.gz UZCWHOZUFFKZTQ-DZGCQCFKSA-N 0 0 369.412 2.687 20 10 FFCDRN C[C@H](Sc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1)C(N)=O ZINC000283712904 511471869 /nfs/dbraw/zinc/47/18/69/511471869.db2.gz XBUHKLMEIWMMJM-AWEZNQCLSA-N 0 0 371.506 2.991 20 10 FFCDRN Cc1ccsc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000283733632 511480934 /nfs/dbraw/zinc/48/09/34/511480934.db2.gz ICFTZRDGKNRIGO-UHFFFAOYSA-N 0 0 371.506 2.930 20 10 FFCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000272598839 511501575 /nfs/dbraw/zinc/50/15/75/511501575.db2.gz GXLXWZFMYDLAEO-OWNNVSBGSA-N 0 0 362.426 2.579 20 10 FFCDRN CO[C@@H](C)CCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000272754645 511506104 /nfs/dbraw/zinc/50/61/04/511506104.db2.gz NFXMZCUREUGLDN-SOUVJXGZSA-N 0 0 352.450 2.871 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cccc2c1oc(=O)n2C ZINC000272888645 511510724 /nfs/dbraw/zinc/51/07/24/511510724.db2.gz YBCIZSINBRFTDY-UHFFFAOYSA-N 0 0 368.393 2.628 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCC(F)(F)C2)cc1 ZINC000283830190 511514869 /nfs/dbraw/zinc/51/48/69/511514869.db2.gz COWIJWYQCMHYEW-OAHLLOKOSA-N 0 0 367.440 2.701 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000273002651 511515371 /nfs/dbraw/zinc/51/53/71/511515371.db2.gz OTJZTBWCKDLJGF-OLZOCXBDSA-N 0 0 364.442 2.782 20 10 FFCDRN CCSCC[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283835070 511516272 /nfs/dbraw/zinc/51/62/72/511516272.db2.gz CTYLDDTYXJOILT-OAHLLOKOSA-N 0 0 363.527 2.551 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)NC2CC2)c1 ZINC000273132007 511517591 /nfs/dbraw/zinc/51/75/91/511517591.db2.gz BSMIHCCIQUMRTL-GFCCVEGCSA-N 0 0 369.421 2.743 20 10 FFCDRN C[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000273252093 511520163 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C[S@](=O)c1ccc(CNC(=O)NCCCSc2nccs2)cc1 ZINC000154367217 728803148 /nfs/dbraw/zinc/80/31/48/728803148.db2.gz UHRRUIOLSUCAFU-HSZRJFAPSA-N 0 0 369.537 2.862 20 10 FFCDRN O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cccc(F)c1F ZINC000158665606 728891988 /nfs/dbraw/zinc/89/19/88/728891988.db2.gz HYVDOFMIRVPUSS-UHFFFAOYSA-N 0 0 354.378 2.602 20 10 FFCDRN COc1cc(CN(C)CC(C)(C)S(C)(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000161002137 728927713 /nfs/dbraw/zinc/92/77/13/728927713.db2.gz SQLWBYAUACMFPZ-UHFFFAOYSA-N 0 0 357.516 2.953 20 10 FFCDRN COC(=O)c1cc2n(n1)CCC[C@@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000897986026 735300481 /nfs/dbraw/zinc/30/04/81/735300481.db2.gz UUIYIRRSLNRKEN-LBPRGKRZSA-N 0 0 353.781 2.793 20 10 FFCDRN COC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)C(C)C ZINC000743637057 735311535 /nfs/dbraw/zinc/31/15/35/735311535.db2.gz JCKVCNCUWOAXEB-QGZVFWFLSA-N 0 0 351.516 2.710 20 10 FFCDRN O=S(=O)(Nc1cccc(C[NH2+]Cc2cc(F)cc(F)c2[O-])c1)C1CC1 ZINC000898288390 735337032 /nfs/dbraw/zinc/33/70/32/735337032.db2.gz 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728156762 /nfs/dbraw/zinc/15/67/62/728156762.db2.gz AEFXHIRTCYCPQX-LBPRGKRZSA-N 0 0 361.471 2.820 20 10 FFCDRN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H](C)c2cc(OC)ccc2O)C1 ZINC000078354649 728295074 /nfs/dbraw/zinc/29/50/74/728295074.db2.gz XPGWPARLBCMHIL-KYGYPBJISA-N 0 0 368.499 2.841 20 10 FFCDRN CC(=O)c1cc(F)cc(CN[C@](C)(C(N)=O)c2cccc(Cl)c2)c1O ZINC000079498225 728313742 /nfs/dbraw/zinc/31/37/42/728313742.db2.gz GOZVDGSRFFRWKJ-SFHVURJKSA-N 0 0 364.804 2.878 20 10 FFCDRN Cc1ccc(CNC(=O)C2CCN(C(=O)C3=CC(=O)CS3)CC2)cc1 ZINC000746894566 735517480 /nfs/dbraw/zinc/51/74/80/735517480.db2.gz NYMUEBJDXLFNJU-UHFFFAOYSA-N 0 0 358.463 2.931 20 10 FFCDRN CC(=O)Nc1ccc(NC(=S)NCCN2CCc3ccccc32)cc1 ZINC000899564685 735519467 /nfs/dbraw/zinc/51/94/67/735519467.db2.gz KUQMUIOKWCLZLD-UHFFFAOYSA-N 0 0 354.479 2.994 20 10 FFCDRN CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](C)Sc3ccccc32)c1 ZINC000088224567 728435608 /nfs/dbraw/zinc/43/56/08/728435608.db2.gz RMHVBXMZVVHTRY-GWJCSSMESA-N 0 0 353.447 2.982 20 10 FFCDRN COC(=O)C[C@@H]1CSCCN1Cc1cc(Br)ccc1O ZINC000093610415 728476673 /nfs/dbraw/zinc/47/66/73/728476673.db2.gz KKBMMNDRMXUSEJ-GFCCVEGCSA-N 0 0 360.273 2.635 20 10 FFCDRN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H]1CCCC[C@H]1C ZINC000094098865 728479451 /nfs/dbraw/zinc/47/94/51/728479451.db2.gz JJIKYDQHRYLAQH-IUODEOHRSA-N 0 0 354.472 2.805 20 10 FFCDRN O=C(Cc1ccc2c(c1)OCCO2)NCCCSc1nccs1 ZINC000114375756 728559967 /nfs/dbraw/zinc/55/99/67/728559967.db2.gz WSRAJVBJQSCKBI-UHFFFAOYSA-N 0 0 350.465 2.755 20 10 FFCDRN Cc1cc(C(=O)Nc2nn[nH]n2)c(C)n1-c1ccc(Br)cc1 ZINC000118685521 728584238 /nfs/dbraw/zinc/58/42/38/728584238.db2.gz ZMEPLULIVDFAPX-UHFFFAOYSA-N 0 0 361.203 2.622 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)CC[C@@H]2CCCO2)cc1F ZINC000120046471 728604841 /nfs/dbraw/zinc/60/48/41/728604841.db2.gz RYJHWURXTNEMAU-HNNXBMFYSA-N 0 0 358.479 2.660 20 10 FFCDRN C[C@H](O)[C@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000120786010 728615556 /nfs/dbraw/zinc/61/55/56/728615556.db2.gz DNERXIXOSOJSOK-RDJZCZTQSA-N 0 0 363.527 2.542 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000121872115 728641062 /nfs/dbraw/zinc/64/10/62/728641062.db2.gz WHDZCOGOVPQVMR-HNNXBMFYSA-N 0 0 360.479 2.662 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000122357679 728646659 /nfs/dbraw/zinc/64/66/59/728646659.db2.gz WFWNEVSNBCPKPL-UHFFFAOYSA-N 0 0 350.321 2.591 20 10 FFCDRN Cc1sc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000122877131 728652776 /nfs/dbraw/zinc/65/27/76/728652776.db2.gz REUHQGRTPSGKTJ-UHFFFAOYSA-N 0 0 355.441 2.509 20 10 FFCDRN CCNc1ncc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)s1 ZINC000129756010 728713034 /nfs/dbraw/zinc/71/30/34/728713034.db2.gz PPEBBZYUPAJQHJ-UHFFFAOYSA-N 0 0 364.446 2.685 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)NC[C@@H]1CSCCS1 ZINC000132151866 728723778 /nfs/dbraw/zinc/72/37/78/728723778.db2.gz STKGNRFDRHPUKQ-CYBMUJFWSA-N 0 0 352.525 2.919 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCc2ccccc2[C@@H]1CO ZINC000132331064 728724289 /nfs/dbraw/zinc/72/42/89/728724289.db2.gz HBNKRRQYDFCERX-HNNXBMFYSA-N 0 0 363.508 2.927 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(F)ccc1Cl ZINC000134611310 728731415 /nfs/dbraw/zinc/73/14/15/728731415.db2.gz FGGNGTFPOSPZRS-SECBINFHSA-N 0 0 366.776 2.576 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccnc(Br)c1 ZINC000136061313 728739233 /nfs/dbraw/zinc/73/92/33/728739233.db2.gz SUZISYONYDNTIQ-UHFFFAOYSA-N 0 0 362.227 2.949 20 10 FFCDRN CC(C)C(=O)N1CCC(NC(=O)NCCCSc2nccs2)CC1 ZINC000152033560 728747611 /nfs/dbraw/zinc/74/76/11/728747611.db2.gz LHAFNXGGUFKDIH-UHFFFAOYSA-N 0 0 370.544 2.572 20 10 FFCDRN CCN(CC(=O)Nc1cc(C)on1)Cc1cc(Br)ccc1O ZINC000174426794 729071582 /nfs/dbraw/zinc/07/15/82/729071582.db2.gz LBQYVFJLEBLIQZ-UHFFFAOYSA-N 0 0 368.231 2.912 20 10 FFCDRN C[C@@H]1CCCN1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000184867407 729335181 /nfs/dbraw/zinc/33/51/81/729335181.db2.gz VJXTUFNAJBLVPK-MRXNPFEDSA-N 0 0 351.516 2.838 20 10 FFCDRN CCOC(C)(C)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000187555585 729378393 /nfs/dbraw/zinc/37/83/93/729378393.db2.gz XSZDHQMERLQQMZ-UHFFFAOYSA-N 0 0 351.516 2.854 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)C[C@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000191373986 729416220 /nfs/dbraw/zinc/41/62/20/729416220.db2.gz BHFGFWBBIGSUFB-CYBMUJFWSA-N 0 0 355.500 2.565 20 10 FFCDRN COC(=O)c1cc2ccccc2c(CN2CCO[C@H](C(F)F)C2)c1O ZINC000193448241 729479500 /nfs/dbraw/zinc/47/95/00/729479500.db2.gz BYCWWAWHLPZFAO-HNNXBMFYSA-N 0 0 351.349 2.798 20 10 FFCDRN CCOCCCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000194510943 729512262 /nfs/dbraw/zinc/51/22/62/729512262.db2.gz AFGAQJJCHMOQDS-UHFFFAOYSA-N 0 0 351.516 2.856 20 10 FFCDRN Cc1nc(Cl)ccc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000323347080 729754709 /nfs/dbraw/zinc/75/47/09/729754709.db2.gz RKCQPCVDCBGWNN-UHFFFAOYSA-N 0 0 353.875 2.930 20 10 FFCDRN COc1cc(Br)cc(S(=O)(=O)NCc2ccccc2O)c1 ZINC000760570879 736650891 /nfs/dbraw/zinc/65/08/91/736650891.db2.gz DUNRMMRHFQZRMP-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(O)(C(F)F)CC2)cc1 ZINC000779527673 738468911 /nfs/dbraw/zinc/46/89/11/738468911.db2.gz DWRHJVOCUNCARR-UHFFFAOYSA-N 0 0 355.429 2.834 20 10 FFCDRN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000857865501 730413077 /nfs/dbraw/zinc/41/30/77/730413077.db2.gz NATUBKHHYZORHF-NOZJJQNGSA-N 0 0 364.243 2.860 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000858154704 730418061 /nfs/dbraw/zinc/41/80/61/730418061.db2.gz PKMSHZRXGCVVKC-OIPACUDHSA-N 0 0 363.527 2.851 20 10 FFCDRN CCO[C@H](CS(=O)(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000858900303 730436105 /nfs/dbraw/zinc/43/61/05/730436105.db2.gz OFFFRSKKHRZFDB-GOSISDBHSA-N 0 0 352.500 2.521 20 10 FFCDRN O=C(COCC(F)F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000859675169 730462631 /nfs/dbraw/zinc/46/26/31/730462631.db2.gz DUKMYNYOZBHJOQ-NSHDSACASA-N 0 0 364.339 2.655 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@]1(O)CCSC1 ZINC000859827253 730466761 /nfs/dbraw/zinc/46/67/61/730466761.db2.gz MGMPJCKDLUEICS-LJQANCHMSA-N 0 0 358.463 2.504 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3[C@H](C)O[C@@H](C)[C@H]3C)CC2)cc1F ZINC000859966480 730470739 /nfs/dbraw/zinc/47/07/39/730470739.db2.gz YXYVZMCIPDMGSV-COJSNBRMSA-N 0 0 350.434 2.542 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCOC(=O)N3)cc2Cl)C1 ZINC000861537829 730622452 /nfs/dbraw/zinc/62/24/52/730622452.db2.gz DIJGIRIBWMTRMQ-DOMZBBRYSA-N 0 0 365.861 2.691 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3c(Cl)nn(C)c3Cl)C2)cc1 ZINC000862158144 730672223 /nfs/dbraw/zinc/67/22/23/730672223.db2.gz CDCFINDNBVRDOB-SNVBAGLBSA-N 0 0 369.252 2.744 20 10 FFCDRN O=S1(=O)CCN(Cc2c(O)cccc2Br)[C@@H]2CCCC[C@H]21 ZINC000862244050 730680688 /nfs/dbraw/zinc/68/06/88/730680688.db2.gz VGLYQCDMEMRCKX-UKRRQHHQSA-N 0 0 374.300 2.696 20 10 FFCDRN CC1(C)CN(C(=O)C2CC2)CCN1Cc1c(O)cccc1Br ZINC000862326440 730687781 /nfs/dbraw/zinc/68/77/81/730687781.db2.gz ODGMLFWVOSDPGQ-UHFFFAOYSA-N 0 0 367.287 2.988 20 10 FFCDRN CN(C)c1cc(F)c(CN[C@@H](c2nccn2C)C(C)(C)CO)cc1F ZINC000862384701 730695258 /nfs/dbraw/zinc/69/52/58/730695258.db2.gz HMWWHSKIVLYCQT-INIZCTEOSA-N 0 0 352.429 2.614 20 10 FFCDRN Cc1cc(=O)[nH]c(C(C)(C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000862432459 730702280 /nfs/dbraw/zinc/70/22/80/730702280.db2.gz DWCRDERDZDQVQH-UHFFFAOYSA-N 0 0 352.778 2.783 20 10 FFCDRN COc1cc(NS(=O)(=O)C[C@@H](OC)c2ccc(F)cc2)ccc1O ZINC000863407231 730777593 /nfs/dbraw/zinc/77/75/93/730777593.db2.gz ATWOPPACIARAIE-MRXNPFEDSA-N 0 0 355.387 2.669 20 10 FFCDRN C[C@@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000865908763 731009963 /nfs/dbraw/zinc/00/99/63/731009963.db2.gz TTZGGVPEUIMTBD-DOMZBBRYSA-N 0 0 358.467 2.676 20 10 FFCDRN CC[S@@](C)(=O)=NS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000866829549 731105866 /nfs/dbraw/zinc/10/58/66/731105866.db2.gz VLXOLOGFTPMKHB-HSZRJFAPSA-N 0 0 374.528 2.889 20 10 FFCDRN C[C@@H](CNC(=O)N[C@@H](C)c1ccccc1O)CNC(=O)OC(C)(C)C ZINC000868431014 731291478 /nfs/dbraw/zinc/29/14/78/731291478.db2.gz VSCCPGZUUOZEGF-STQMWFEESA-N 0 0 351.447 2.913 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1cccnc1Cl ZINC000868966701 731349948 /nfs/dbraw/zinc/34/99/48/731349948.db2.gz WSTDFGQGKDEYTD-UHFFFAOYSA-N 0 0 362.813 2.575 20 10 FFCDRN CCCS(=O)(=O)Nc1cccc(C(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871198301 731605415 /nfs/dbraw/zinc/60/54/15/731605415.db2.gz GNSBGMCYTDWTDE-UHFFFAOYSA-N 0 0 360.435 2.700 20 10 FFCDRN O=C([C@@H]1CC(=O)N(c2ccccc2Cl)C1)N1Cc2cccc(O)c2C1 ZINC000871198549 731605455 /nfs/dbraw/zinc/60/54/55/731605455.db2.gz JNUZPHPBSFMMNF-CYBMUJFWSA-N 0 0 356.809 2.941 20 10 FFCDRN CC(C)S(=O)(=O)c1ccc(CC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000871204852 731606045 /nfs/dbraw/zinc/60/60/45/731606045.db2.gz QHSZYHFRBOUCSQ-UHFFFAOYSA-N 0 0 359.447 2.659 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)N[C@H](Cc3cncs3)C2=O)cc1 ZINC000871893141 731695109 /nfs/dbraw/zinc/69/51/09/731695109.db2.gz BJJYZWNCDRDYIJ-MRXNPFEDSA-N 0 0 358.467 2.652 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1(Br)CC1 ZINC000874081054 732006988 /nfs/dbraw/zinc/00/69/88/732006988.db2.gz CCJZTSFEVFUWHC-UHFFFAOYSA-N 0 0 355.301 2.784 20 10 FFCDRN Cc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)c(O)c1 ZINC000876615379 732262204 /nfs/dbraw/zinc/26/22/04/732262204.db2.gz CGQXBOFKPHVFCL-UHFFFAOYSA-N 0 0 361.423 2.628 20 10 FFCDRN Cc1sc2ncn(CCC(=O)N(C)c3ccc(N)cc3)c(=O)c2c1C ZINC000877079956 732321948 /nfs/dbraw/zinc/32/19/48/732321948.db2.gz CGVWSUOVNBSZHF-UHFFFAOYSA-N 0 0 356.451 2.710 20 10 FFCDRN COc1ccc(NCc2ccc(C)cc2O)cc1S(=O)(=O)NC1CC1 ZINC000877513673 732377032 /nfs/dbraw/zinc/37/70/32/732377032.db2.gz BWIPUIRZKGSYSO-UHFFFAOYSA-N 0 0 362.451 2.762 20 10 FFCDRN CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000877524249 732380156 /nfs/dbraw/zinc/38/01/56/732380156.db2.gz SWXOQZPIOXUKCU-BDAKNGLRSA-N 0 0 370.425 2.837 20 10 FFCDRN Fc1cc(CNCc2ccc(Cl)nn2)cc(F)c1N1CCOCC1 ZINC000877581966 732393193 /nfs/dbraw/zinc/39/31/93/732393193.db2.gz BJTSSBIMFBASAE-UHFFFAOYSA-N 0 0 354.788 2.535 20 10 FFCDRN O=C1NCCN1Cc1ccc(C[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000877734959 732421111 /nfs/dbraw/zinc/42/11/11/732421111.db2.gz LLFOXFRPDAFSQE-UHFFFAOYSA-N 0 0 363.820 3.000 20 10 FFCDRN O=C1N[C@@H](c2c(O)cccc2Br)N2Cc3ccccc3C[C@@H]12 ZINC000877865673 732445785 /nfs/dbraw/zinc/44/57/85/732445785.db2.gz HCOLWWNEKRZKTI-XJKSGUPXSA-N 0 0 359.223 2.710 20 10 FFCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCC[C@@H](OC(F)F)C2)c1[N+](=O)[O-] ZINC000781395570 738623772 /nfs/dbraw/zinc/62/37/72/738623772.db2.gz DAXMXTFBLZRKOW-SNVBAGLBSA-N 0 0 361.301 2.512 20 10 FFCDRN Cn1cc(Cl)c(NC(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000881184820 733023781 /nfs/dbraw/zinc/02/37/81/733023781.db2.gz VNKXMWLMYXYHID-UHFFFAOYSA-N 0 0 365.890 2.948 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cc(C(F)(F)F)nn2C)c1 ZINC000926929625 738669851 /nfs/dbraw/zinc/66/98/51/738669851.db2.gz XXFHVKGMBIEIGE-VIFPVBQESA-N 0 0 357.332 2.782 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000781907876 738670724 /nfs/dbraw/zinc/67/07/24/738670724.db2.gz GHUPBFSZKSUDKG-CQSZACIVSA-N 0 0 369.303 2.617 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)c1 ZINC000781911917 738671399 /nfs/dbraw/zinc/67/13/99/738671399.db2.gz UZKDVNYSORNFHQ-DOMZBBRYSA-N 0 0 367.287 2.954 20 10 FFCDRN Cc1nc2nc(C)cc(NCc3ccc(N4CCSCC4)cc3)n2n1 ZINC000881819966 733114630 /nfs/dbraw/zinc/11/46/30/733114630.db2.gz RXJQEVNYGRQZFK-UHFFFAOYSA-N 0 0 354.483 2.906 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)[C@@H]3CCOC[C@@H]3C)cc2)CC1 ZINC000881871236 733124467 /nfs/dbraw/zinc/12/44/67/733124467.db2.gz LKHWSKXZZDBKME-QFBILLFUSA-N 0 0 366.527 2.767 20 10 FFCDRN CC1(C)[C@@H](CS(=O)(=O)NCCCSc2nccs2)C1(F)F ZINC000881887107 733127794 /nfs/dbraw/zinc/12/77/94/733127794.db2.gz MLKYUKDCALIKSN-SECBINFHSA-N 0 0 356.485 2.836 20 10 FFCDRN O=S(=O)([C@H]1C[C@@H]2CC[C@H]1O2)N(Cc1ccccc1O)C1CCCC1 ZINC000881919738 733136755 /nfs/dbraw/zinc/13/67/55/733136755.db2.gz AUQUKJGIWUCCSU-JQHSSLGASA-N 0 0 351.468 2.787 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H](O)C1CCOCC1 ZINC000883015924 733321444 /nfs/dbraw/zinc/32/14/44/733321444.db2.gz ITMVUIDTXPZPNA-ZDUSSCGKSA-N 0 0 364.667 2.685 20 10 FFCDRN CCC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000883045435 733325278 /nfs/dbraw/zinc/32/52/78/733325278.db2.gz YNGFCCNAIONLMW-LLVKDONJSA-N 0 0 361.667 2.909 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883079095 733328982 /nfs/dbraw/zinc/32/89/82/733328982.db2.gz JYLSLSMVMUBLTB-PWSUYJOCSA-N 0 0 361.667 2.812 20 10 FFCDRN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883079094 733329084 /nfs/dbraw/zinc/32/90/84/733329084.db2.gz JYLSLSMVMUBLTB-JQWIXIFHSA-N 0 0 361.667 2.812 20 10 FFCDRN CCCN1C[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1=O ZINC000883147161 733342238 /nfs/dbraw/zinc/34/22/38/733342238.db2.gz MQSMAIXBLZONAA-SNVBAGLBSA-N 0 0 359.239 2.642 20 10 FFCDRN CCN1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1=O ZINC000883158941 733344259 /nfs/dbraw/zinc/34/42/59/733344259.db2.gz VWHDUTYXWUZMKW-SECBINFHSA-N 0 0 361.667 2.766 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CCCF)cc2F)C[C@@H](C)O1 ZINC000884084564 733477250 /nfs/dbraw/zinc/47/72/50/733477250.db2.gz VAHPLXHERGMDFZ-ZIAGYGMSSA-N 0 0 355.429 2.940 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886520593 733799944 /nfs/dbraw/zinc/79/99/44/733799944.db2.gz ICVTVZLYRPUORD-RYUDHWBXSA-N 0 0 352.431 2.851 20 10 FFCDRN C[C@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)c1c([O-])cccc1F ZINC000886646505 733812482 /nfs/dbraw/zinc/81/24/82/733812482.db2.gz LFKHWCRLTVQAFD-ZDUSSCGKSA-N 0 0 352.450 2.988 20 10 FFCDRN CC(=O)N1CCC[C@@H]1c1nc(-c2cn(-c3ccc(N)cc3)nn2)cs1 ZINC000887538161 733947884 /nfs/dbraw/zinc/94/78/84/733947884.db2.gz AMBGEWYLTVIABX-MRXNPFEDSA-N 0 0 354.439 2.656 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c(C)c1F ZINC000782978698 738770170 /nfs/dbraw/zinc/77/01/70/738770170.db2.gz IGFCWAFHMGYVSI-UHFFFAOYSA-N 0 0 370.421 2.826 20 10 FFCDRN Cc1cc(Br)oc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783039144 738774917 /nfs/dbraw/zinc/77/49/17/738774917.db2.gz HTKILBBSCBCIND-UHFFFAOYSA-N 0 0 355.140 2.801 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cncc(Cl)c1 ZINC000889962312 734248067 /nfs/dbraw/zinc/24/80/67/734248067.db2.gz HNFUORRVMLWKQV-UHFFFAOYSA-N 0 0 359.813 2.574 20 10 FFCDRN Cc1ccc(CCC(=O)NCC(=O)NCc2cccc(Cl)c2O)cc1 ZINC000890757691 734336315 /nfs/dbraw/zinc/33/63/15/734336315.db2.gz IHLOGCRCGNRDOE-UHFFFAOYSA-N 0 0 360.841 2.719 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000890761067 734337287 /nfs/dbraw/zinc/33/72/87/734337287.db2.gz JVFPEJJIEUHWET-MNOVXSKESA-N 0 0 367.751 2.646 20 10 FFCDRN COCCOCCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708125778 734362609 /nfs/dbraw/zinc/36/26/09/734362609.db2.gz XTUIFEQPMSQZGU-UHFFFAOYSA-N 0 0 352.656 2.951 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CC1(CO)CCOCC1 ZINC000708206077 734362621 /nfs/dbraw/zinc/36/26/21/734362621.db2.gz WKDPJSQOIQCJIB-UHFFFAOYSA-N 0 0 364.667 2.687 20 10 FFCDRN Cc1cc(C(=O)OCCN2CCNC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000726387061 734422264 /nfs/dbraw/zinc/42/22/64/734422264.db2.gz MKSSHDZRSYHTJP-UHFFFAOYSA-N 0 0 361.829 2.930 20 10 FFCDRN CN(CCCNC(=S)NCCc1ccc(O)c(O)c1)c1ccccc1 ZINC000726433666 734423767 /nfs/dbraw/zinc/42/37/67/734423767.db2.gz MLLLGKYGICHZTP-UHFFFAOYSA-N 0 0 359.495 2.631 20 10 FFCDRN NC(=O)c1ccc(NC(=S)NNc2ccc(OC(F)F)cc2)cc1 ZINC000726494595 734431343 /nfs/dbraw/zinc/43/13/43/734431343.db2.gz XNVRAMCRMLLUCG-UHFFFAOYSA-N 0 0 352.366 2.700 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cncc(F)c1 ZINC000726974149 734457364 /nfs/dbraw/zinc/45/73/64/734457364.db2.gz RICNRHKDSXKGCA-UHFFFAOYSA-N 0 0 351.447 2.886 20 10 FFCDRN Cc1ccc(C(=O)O[C@H](C)C(=O)NCc2ccccc2Cl)c(O)c1O ZINC000727005079 734459367 /nfs/dbraw/zinc/45/93/67/734459367.db2.gz FRLAOPFHXYUEHI-LLVKDONJSA-N 0 0 363.797 2.921 20 10 FFCDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3sccc3C2)c(O)c1O ZINC000727005024 734459485 /nfs/dbraw/zinc/45/94/85/734459485.db2.gz CZRYFWUKXUFCSQ-NSHDSACASA-N 0 0 361.419 2.598 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cnn(CC)c2)cc1 ZINC000727442211 734482712 /nfs/dbraw/zinc/48/27/12/734482712.db2.gz CETUONWLHFTJHC-UHFFFAOYSA-N 0 0 350.488 2.570 20 10 FFCDRN CC(C)(C)CCCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000728860392 734545977 /nfs/dbraw/zinc/54/59/77/734545977.db2.gz REWXEIPIPXWQQR-UHFFFAOYSA-N 0 0 366.527 2.754 20 10 FFCDRN NC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000729676619 734589880 /nfs/dbraw/zinc/58/98/80/734589880.db2.gz PQOPPHVILZSTCL-INIZCTEOSA-N 0 0 361.239 2.700 20 10 FFCDRN CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000730078932 734613621 /nfs/dbraw/zinc/61/36/21/734613621.db2.gz SVYHPSTWQLGFCS-YWPYICTPSA-N 0 0 366.483 2.526 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)N=S(C)(C)=O ZINC000893148243 734659460 /nfs/dbraw/zinc/65/94/60/734659460.db2.gz RJAJJSQUOQGHHM-UHFFFAOYSA-N 0 0 354.453 2.567 20 10 FFCDRN CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)C3=CC(=O)CS3)ccc21 ZINC000731911933 734704919 /nfs/dbraw/zinc/70/49/19/734704919.db2.gz NVTZWSKRUYTNSZ-JTQLQIEISA-N 0 0 359.403 2.791 20 10 FFCDRN COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1=CC(=O)CS1 ZINC000731912847 734705224 /nfs/dbraw/zinc/70/52/24/734705224.db2.gz YZHYXLBBWHERPR-MRVPVSSYSA-N 0 0 366.351 2.555 20 10 FFCDRN O=C(NCc1cc(Br)c2c(c1)OCCO2)C1=CC(=O)CS1 ZINC000732278559 734729658 /nfs/dbraw/zinc/72/96/58/734729658.db2.gz BVSIWKSYMSNXMS-UHFFFAOYSA-N 0 0 370.224 2.917 20 10 FFCDRN CCCOCc1ccccc1CNC(=O)COC(=O)C1=CC(=O)CS1 ZINC000732353437 734736930 /nfs/dbraw/zinc/73/69/30/734736930.db2.gz OVJKDDJQAYYQEQ-UHFFFAOYSA-N 0 0 363.435 2.854 20 10 FFCDRN O=C(COC(=O)[C@H]1SCCc2sccc21)c1ccc(O)c(O)c1 ZINC000783926099 738849564 /nfs/dbraw/zinc/84/95/64/738849564.db2.gz XIRYFFQNFJBNPA-HNNXBMFYSA-N 0 0 350.417 2.916 20 10 FFCDRN O=C(Cc1cc(F)cc2c1OCOC2)NCCCSc1nccs1 ZINC000733972756 734864920 /nfs/dbraw/zinc/86/49/20/734864920.db2.gz VNJNEGAYZCYMCK-UHFFFAOYSA-N 0 0 368.455 2.990 20 10 FFCDRN CCS(=O)(=O)c1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000734060684 734872401 /nfs/dbraw/zinc/87/24/01/734872401.db2.gz ZQZDGFGKFUVJRC-UHFFFAOYSA-N 0 0 364.423 2.516 20 10 FFCDRN CNC(=O)c1ccc(NC(=O)NCc2cc(OC)ccc2O)cc1Cl ZINC000734061118 734872424 /nfs/dbraw/zinc/87/24/24/734872424.db2.gz QULNNZOGDJJNJK-UHFFFAOYSA-N 0 0 363.801 2.736 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCn1cc(Br)cn1 ZINC000734404478 734894333 /nfs/dbraw/zinc/89/43/33/734894333.db2.gz GSPVCFOPHJZUPL-UHFFFAOYSA-N 0 0 365.275 2.727 20 10 FFCDRN CCN(CC(=O)NCCCSc1nccs1)C(=O)OC(C)(C)C ZINC000734434783 734896348 /nfs/dbraw/zinc/89/63/48/734896348.db2.gz CZROXNMIVCUJBT-UHFFFAOYSA-N 0 0 359.517 2.999 20 10 FFCDRN Cc1nnc([C@@H]2CC[N@H+](Cc3cc(Br)cc(F)c3[O-])C2)[nH]1 ZINC000895013264 734952737 /nfs/dbraw/zinc/95/27/37/734952737.db2.gz ZTUQBPPZMFVPFA-SECBINFHSA-N 0 0 355.211 2.710 20 10 FFCDRN COC(=O)c1sccc1CNCc1ccc(N2CCC(O)CC2)cc1 ZINC000895451167 735008058 /nfs/dbraw/zinc/00/80/58/735008058.db2.gz JBYWNIPOIRCHGD-UHFFFAOYSA-N 0 0 360.479 2.786 20 10 FFCDRN COC(=O)[C@H](CC1CCOCC1)NCc1cc(Br)ccc1O ZINC000895591916 735028620 /nfs/dbraw/zinc/02/86/20/735028620.db2.gz QYXWIHKJEXHHGO-AWEZNQCLSA-N 0 0 372.259 2.603 20 10 FFCDRN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)NCc1cccc(Cl)c1O ZINC000895596181 735029672 /nfs/dbraw/zinc/02/96/72/735029672.db2.gz ZJDLXHADDPWSIA-CQSZACIVSA-N 0 0 361.829 2.621 20 10 FFCDRN Cc1ncc(Cl)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000741912514 735169819 /nfs/dbraw/zinc/16/98/19/735169819.db2.gz WVBARGXXEONBFY-GFCCVEGCSA-N 0 0 360.845 2.766 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896581541 735175827 /nfs/dbraw/zinc/17/58/27/735175827.db2.gz ZWRGFIJOESYZLS-ONGXEEELSA-N 0 0 352.740 2.955 20 10 FFCDRN O=C(NCCc1cn2c(n1)SCC2)c1cc2cc(O)c(O)cc2s1 ZINC000897413306 735231386 /nfs/dbraw/zinc/23/13/86/735231386.db2.gz VZJOOORLPAIFJB-UHFFFAOYSA-N 0 0 361.448 2.587 20 10 FFCDRN Cn1ncc(NCc2c(O)ccc3c2CCCC3)c(Br)c1=O ZINC000742419471 735236693 /nfs/dbraw/zinc/23/66/93/735236693.db2.gz HQNJKBCYOLOCIW-UHFFFAOYSA-N 0 0 364.243 2.739 20 10 FFCDRN Cc1cc(F)cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000747607960 735573667 /nfs/dbraw/zinc/57/36/67/735573667.db2.gz SXNVYAZTPGKXPO-UHFFFAOYSA-N 0 0 350.415 2.772 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)Cc2cc(C)no2)cc1 ZINC000749168984 735700442 /nfs/dbraw/zinc/70/04/42/735700442.db2.gz YCFHFLFPWXJHFE-UHFFFAOYSA-N 0 0 351.472 2.791 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2cc(C)no2)cc1F ZINC000749180579 735701854 /nfs/dbraw/zinc/70/18/54/735701854.db2.gz MRJAHPIHZLBJGZ-UHFFFAOYSA-N 0 0 355.435 2.588 20 10 FFCDRN CN(C(=O)C1=CC(=O)CS1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000750538368 735799474 /nfs/dbraw/zinc/79/94/74/735799474.db2.gz FXAWJWVHDSAWAR-LLVKDONJSA-N 0 0 357.840 2.708 20 10 FFCDRN COc1cc(O)ccc1NS(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000901702637 735822995 /nfs/dbraw/zinc/82/29/95/735822995.db2.gz FXGKZFVONMLHMR-HNNXBMFYSA-N 0 0 369.414 2.539 20 10 FFCDRN C[C@@H]1Cc2cc(S(=O)(=O)NCc3ccccc3O)cc(Cl)c2O1 ZINC000751151129 735849508 /nfs/dbraw/zinc/84/95/08/735849508.db2.gz RDUUYVBQDUPGSF-SNVBAGLBSA-N 0 0 353.827 2.848 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1 ZINC000751317827 735863597 /nfs/dbraw/zinc/86/35/97/735863597.db2.gz HXZRAESWTVTRIF-LLVKDONJSA-N 0 0 366.395 2.657 20 10 FFCDRN CCCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000751535175 735891805 /nfs/dbraw/zinc/89/18/05/735891805.db2.gz NIXFRXFWGIVDPB-UHFFFAOYSA-N 0 0 364.423 2.810 20 10 FFCDRN CSCCNC(=S)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000752735647 736008201 /nfs/dbraw/zinc/00/82/01/736008201.db2.gz VWMMNEJXMMWCCA-QGZVFWFLSA-N 0 0 367.584 2.971 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc2c(c1)N(C)CC2 ZINC000753369229 736060801 /nfs/dbraw/zinc/06/08/01/736060801.db2.gz AIIMIMVRURZXQU-UHFFFAOYSA-N 0 0 359.495 2.532 20 10 FFCDRN CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000903232571 736062733 /nfs/dbraw/zinc/06/27/33/736062733.db2.gz AZEYATYBFCTMPF-LBPRGKRZSA-N 0 0 352.431 2.680 20 10 FFCDRN COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000790876373 739507941 /nfs/dbraw/zinc/50/79/41/739507941.db2.gz XNRIFPKDZOHOMS-GFCCVEGCSA-N 0 0 352.431 2.940 20 10 FFCDRN Cc1cc(C)c2c(N)c(C(=O)OCCN3C[C@H]4CC[C@@H](C3)O4)sc2n1 ZINC000753897371 736104817 /nfs/dbraw/zinc/10/48/17/736104817.db2.gz UUQVFJOKQBXNLB-BETUJISGSA-N 0 0 361.467 2.515 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC(=O)N(CC(F)(F)F)C1 ZINC000754461154 736162260 /nfs/dbraw/zinc/16/22/60/736162260.db2.gz BKDIOWOIBSRBGP-UHFFFAOYSA-N 0 0 371.384 2.960 20 10 FFCDRN Cc1cc(C(=O)NCc2cn[nH]n2)c(C)n1-c1ccccc1Br ZINC000754863096 736210484 /nfs/dbraw/zinc/21/04/84/736210484.db2.gz IYQPXKFQQSQXPM-UHFFFAOYSA-N 0 0 374.242 2.905 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756419647 736329694 /nfs/dbraw/zinc/32/96/94/736329694.db2.gz WCNJVKJMVDPRSD-WDEREUQCSA-N 0 0 361.255 2.665 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000756445751 736331865 /nfs/dbraw/zinc/33/18/65/736331865.db2.gz PNQAIGLPQOUABX-CYBMUJFWSA-N 0 0 360.479 2.949 20 10 FFCDRN C[C@H](NCc1nnnn1-c1ccccc1)c1cc(Br)ccc1O ZINC000756492047 736336074 /nfs/dbraw/zinc/33/60/74/736336074.db2.gz ZCNINIHBWVWVSX-NSHDSACASA-N 0 0 374.242 2.981 20 10 FFCDRN C[C@H]([NH2+]C1CCC(C(N)=O)CC1)c1cc(Br)c(F)cc1[O-] ZINC000756704255 736353694 /nfs/dbraw/zinc/35/36/94/736353694.db2.gz JJEPGUVASXNGAJ-IDKOKCKLSA-N 0 0 359.239 2.989 20 10 FFCDRN COCCOC[C@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756732909 736356241 /nfs/dbraw/zinc/35/62/41/736356241.db2.gz KUXCHQWAIVGJKX-UWVGGRQHSA-N 0 0 350.228 2.996 20 10 FFCDRN COC[C@@H](O)CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756779542 736360932 /nfs/dbraw/zinc/36/09/32/736360932.db2.gz SDFZTGSFTMAQBC-SCZZXKLOSA-N 0 0 352.656 2.856 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(C)(C)CNC(=O)OC(C)(C)C)c1 ZINC000757380972 736404313 /nfs/dbraw/zinc/40/43/13/736404313.db2.gz DWJPDASMSHILMS-UHFFFAOYSA-N 0 0 352.431 2.568 20 10 FFCDRN C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cc(Br)cc(Cl)c1[O-] ZINC000795842533 740070065 /nfs/dbraw/zinc/07/00/65/740070065.db2.gz APENTOZHUDVLGI-ZCFIWIBFSA-N 0 0 371.609 2.840 20 10 FFCDRN CNS(=O)(=O)c1ccc(NCCCSc2nccs2)c(F)c1 ZINC000759315108 736561978 /nfs/dbraw/zinc/56/19/78/736561978.db2.gz NIITXKFVOYANDS-UHFFFAOYSA-N 0 0 361.489 2.785 20 10 FFCDRN CC(C)n1cc(Br)c(C(=O)NCCc2ccc(O)c(O)c2)n1 ZINC000907057969 736577823 /nfs/dbraw/zinc/57/78/23/736577823.db2.gz UBRJCBXCPPEQMA-UHFFFAOYSA-N 0 0 368.231 2.610 20 10 FFCDRN Cc1nc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc(O)c(O)c2)sc1C ZINC000759593372 736579460 /nfs/dbraw/zinc/57/94/60/736579460.db2.gz NRODDOQPWKPIFB-STUBTGCMSA-N 0 0 362.407 2.755 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(C3N=NC(=S)O3)cc2)c1O ZINC000759958740 736606565 /nfs/dbraw/zinc/60/65/65/736606565.db2.gz OKDZYADHIYNMTO-UHFFFAOYSA-N 0 0 357.391 2.670 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCOc2ccc(Cl)cn2)c1 ZINC000760832114 736672255 /nfs/dbraw/zinc/67/22/55/736672255.db2.gz RKDSWSDBWSTZOX-LLVKDONJSA-N 0 0 365.817 2.888 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2c(C)nn(CC(F)F)c2C)c1 ZINC000760918301 736679615 /nfs/dbraw/zinc/67/96/15/736679615.db2.gz KQLWYXPYVNPQNV-VIFPVBQESA-N 0 0 353.369 2.970 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(C(=O)OCC(C)C)CC2)c1O ZINC000761195798 736706086 /nfs/dbraw/zinc/70/60/86/736706086.db2.gz OMWSIHRNXQGCOW-UHFFFAOYSA-N 0 0 356.850 2.964 20 10 FFCDRN COc1ccc([C@@H]2NC(=O)N(CCCSc3nccs3)C2=O)cc1 ZINC000761298221 736719636 /nfs/dbraw/zinc/71/96/36/736719636.db2.gz LFJVEUYFUSDIBX-ZDUSSCGKSA-N 0 0 363.464 2.927 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2(NC(=O)OC(C)(C)C)CC2)c1 ZINC000761540747 736743955 /nfs/dbraw/zinc/74/39/55/736743955.db2.gz IBEGZBFVJGCRDU-NSHDSACASA-N 0 0 350.415 2.635 20 10 FFCDRN Cc1cc(F)cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)c1 ZINC000761592792 736747269 /nfs/dbraw/zinc/74/72/69/736747269.db2.gz CJRZGIPIPLYYOW-UHFFFAOYSA-N 0 0 363.370 2.928 20 10 FFCDRN O=C(/C=C\c1cccnc1)N1CC(=O)Nc2cc(Br)ccc21 ZINC000761798731 736761790 /nfs/dbraw/zinc/76/17/90/736761790.db2.gz UPMSPSFIAPSIBD-UTCJRWHESA-N 0 0 358.195 2.843 20 10 FFCDRN COC(=O)c1cncc(NC(=O)NCCCSc2nccs2)c1 ZINC000762228802 736805009 /nfs/dbraw/zinc/80/50/09/736805009.db2.gz FJDMKUDLGOAFSW-UHFFFAOYSA-N 0 0 352.441 2.629 20 10 FFCDRN C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000762790171 736867779 /nfs/dbraw/zinc/86/77/79/736867779.db2.gz XSJYKBAGCQXACA-XPTSAGLGSA-N 0 0 363.683 2.525 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)c1 ZINC000763017348 736891832 /nfs/dbraw/zinc/89/18/32/736891832.db2.gz AVRCNHKOFGVFHG-BPLDGKMQSA-N 0 0 354.497 2.580 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@@H]1CCC(F)(F)C1 ZINC000763589896 736950122 /nfs/dbraw/zinc/95/01/22/736950122.db2.gz POWVAUXPLKHAMA-CYBMUJFWSA-N 0 0 357.376 2.649 20 10 FFCDRN Cc1cc(C(=O)CN2CC[S@](=O)C[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000763878841 736975689 /nfs/dbraw/zinc/97/56/89/736975689.db2.gz PFZBBURJXIJZGI-BZQUYTCOSA-N 0 0 358.507 2.977 20 10 FFCDRN CC(C)(C)[C@H](O)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000764956291 737067415 /nfs/dbraw/zinc/06/74/15/737067415.db2.gz IRBCSHQXXCZXLJ-OAHLLOKOSA-N 0 0 356.413 2.780 20 10 FFCDRN COc1ccc2c(c1)N(S(=O)(=O)c1cccc3nonc31)CCCC2 ZINC000765101237 737082807 /nfs/dbraw/zinc/08/28/07/737082807.db2.gz HCPRHRIFRAYYMA-UHFFFAOYSA-N 0 0 359.407 2.763 20 10 FFCDRN Cc1ccc([N+](=O)[O-])c(S(=O)(=O)NCc2ccc(N(C)C)cc2)c1C ZINC000765159745 737088993 /nfs/dbraw/zinc/08/89/93/737088993.db2.gz HAOADIBRWCXEEZ-UHFFFAOYSA-N 0 0 363.439 2.756 20 10 FFCDRN Cc1cc(C(=O)OCc2nc(=O)n(C)[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC000765456775 737120711 /nfs/dbraw/zinc/12/07/11/737120711.db2.gz BBDALYYWQLBCEQ-UHFFFAOYSA-N 0 0 360.801 2.526 20 10 FFCDRN COC[C@H](NC(=O)NCc1cccc(Br)c1O)c1ccco1 ZINC000765527378 737129904 /nfs/dbraw/zinc/12/99/04/737129904.db2.gz LKSJHJYHCQRYKZ-LBPRGKRZSA-N 0 0 369.215 2.935 20 10 FFCDRN Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(Br)c1O ZINC000765726622 737149580 /nfs/dbraw/zinc/14/95/80/737149580.db2.gz IAISMECXCGHQKG-UHFFFAOYSA-N 0 0 366.171 2.696 20 10 FFCDRN O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(Br)c1O ZINC000765751948 737153822 /nfs/dbraw/zinc/15/38/22/737153822.db2.gz BGKZEVAWOIBQBA-UHFFFAOYSA-N 0 0 365.183 2.922 20 10 FFCDRN CCN(CC1CC1)S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000766038212 737185515 /nfs/dbraw/zinc/18/55/15/737185515.db2.gz JNFVOJNFGXSSJI-UHFFFAOYSA-N 0 0 351.516 2.694 20 10 FFCDRN Cc1csc([C@@H](C)NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1 ZINC000804503982 740879403 /nfs/dbraw/zinc/87/94/03/740879403.db2.gz LCWRNCNUNGUKMI-CHWSQXEVSA-N 0 0 360.483 2.572 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2c(Cl)ccnc2Cl)cc1 ZINC000767081208 737290378 /nfs/dbraw/zinc/29/03/78/737290378.db2.gz XBCNRIKDXQZNPQ-UHFFFAOYSA-N 0 0 360.266 2.933 20 10 FFCDRN CCOC(=O)c1cnc(C)c(C(=O)NCCCSc2nccs2)c1 ZINC000767170500 737298601 /nfs/dbraw/zinc/29/86/01/737298601.db2.gz LSAIDAUOXKANOP-UHFFFAOYSA-N 0 0 365.480 2.935 20 10 FFCDRN O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)C1=CC(=O)CS1 ZINC000768285405 737411339 /nfs/dbraw/zinc/41/13/39/737411339.db2.gz HWFNGWXHDVQHAI-UHFFFAOYSA-N 0 0 365.886 2.659 20 10 FFCDRN COc1cc(O)c(CN(C)CC(=O)N(C)C2CCCCC2)cc1OC ZINC000768441133 737423104 /nfs/dbraw/zinc/42/31/04/737423104.db2.gz WBOIPKDRJQSSNB-UHFFFAOYSA-N 0 0 350.459 2.632 20 10 FFCDRN C[C@](O)(C1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1)C(F)(F)F ZINC000768612453 737440150 /nfs/dbraw/zinc/44/01/50/737440150.db2.gz NIRQFMJBRFZMGV-IMMZDGJCSA-N 0 0 359.344 2.663 20 10 FFCDRN CC(C)[C@H](C(=O)NCc1ccccc1O)S(=O)(=O)C1CCCCC1 ZINC000769362371 737521475 /nfs/dbraw/zinc/52/14/75/737521475.db2.gz IYZVICBEXGPKDR-QGZVFWFLSA-N 0 0 353.484 2.781 20 10 FFCDRN CCC1(CC)CN(Cc2ccc(N3CCOCC3)c(F)c2)CC[S@]1=O ZINC000769558952 737542064 /nfs/dbraw/zinc/54/20/64/737542064.db2.gz YVKLYTNKPFNOGF-RUZDIDTESA-N 0 0 368.518 2.785 20 10 FFCDRN COc1c(C)ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1C ZINC000769697504 737554862 /nfs/dbraw/zinc/55/48/62/737554862.db2.gz SHTPVBSBFLSVML-UHFFFAOYSA-N 0 0 364.423 2.641 20 10 FFCDRN Oc1cc2c(cc1CN1CCSC[C@H]1c1nccs1)[C@@H](O)CO2 ZINC000769800366 737567806 /nfs/dbraw/zinc/56/78/06/737567806.db2.gz UUBFUNGCDXPISI-JSGCOSHPSA-N 0 0 350.465 2.565 20 10 FFCDRN Cc1ccc(C(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)c(O)c1O ZINC000770495138 737632674 /nfs/dbraw/zinc/63/26/74/737632674.db2.gz RELFQVYHKDRJDY-ZDUSSCGKSA-N 0 0 352.431 2.685 20 10 FFCDRN COc1ccc(CN(Cc2ccccc2O)[C@H]2CCS(=O)(=O)C2)cc1 ZINC000770509401 737633890 /nfs/dbraw/zinc/63/38/90/737633890.db2.gz MAAXPXGIOZCOLP-KRWDZBQOSA-N 0 0 361.463 2.590 20 10 FFCDRN CC(C)c1nsc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 ZINC000771197997 737705412 /nfs/dbraw/zinc/70/54/12/737705412.db2.gz WLXOHYRMDCFNLV-UHFFFAOYSA-N 0 0 366.512 2.508 20 10 FFCDRN O=C(Cc1noc(-c2ccc(-n3cccc3)cc2)n1)N1CCSCC1 ZINC000771389495 737721166 /nfs/dbraw/zinc/72/11/66/737721166.db2.gz QKCYTKCIMYVOEN-UHFFFAOYSA-N 0 0 354.435 2.645 20 10 FFCDRN COc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1OC(F)F ZINC000917355428 737753855 /nfs/dbraw/zinc/75/38/55/737753855.db2.gz CBKRRLAFMJNOMW-UHFFFAOYSA-N 0 0 353.321 2.680 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@H](O)Cc3ccccc3Cl)ccc21 ZINC000772597176 737825799 /nfs/dbraw/zinc/82/57/99/737825799.db2.gz SSCWENROQDVRIP-LJQANCHMSA-N 0 0 358.869 2.942 20 10 FFCDRN COCCc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773084902 737869705 /nfs/dbraw/zinc/86/97/05/737869705.db2.gz UJQXBTISJMRNNK-OAHLLOKOSA-N 0 0 362.495 2.981 20 10 FFCDRN C[C@H](NC(=O)NCc1n[nH]cc1Br)c1ccc(N(C)C)cc1 ZINC000773312511 737891897 /nfs/dbraw/zinc/89/18/97/737891897.db2.gz UJJHFNJSRCBNFC-JTQLQIEISA-N 0 0 366.263 2.799 20 10 FFCDRN CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H](C)CS(=O)(=O)CC ZINC000773622863 737924524 /nfs/dbraw/zinc/92/45/24/737924524.db2.gz IEZKAPUQSNSBBK-HUUCEWRRSA-N 0 0 369.531 2.668 20 10 FFCDRN CC[C@H](CNC=C1C(=O)NC(=S)N(CC(C)C)C1=O)c1ccccc1 ZINC000920979422 737937814 /nfs/dbraw/zinc/93/78/14/737937814.db2.gz LXGFRIHYLILWRQ-VQCBNXJZSA-N 0 0 359.495 2.553 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCCN(S(C)(=O)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774143977 737964303 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COc1ccc(Cl)cc1NC(=O)COC(=O)c1cccc(O)c1O ZINC000776280959 738177434 /nfs/dbraw/zinc/17/74/34/738177434.db2.gz ZYLJGPRBBQQKEF-UHFFFAOYSA-N 0 0 351.742 2.555 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000922935823 738221064 /nfs/dbraw/zinc/22/10/64/738221064.db2.gz VUQJQGRDYMINTP-LLVKDONJSA-N 0 0 350.640 2.703 20 10 FFCDRN O=c1ccc2cc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)ccc2[nH]1 ZINC000776748887 738229495 /nfs/dbraw/zinc/22/94/95/738229495.db2.gz OCIRIIYJVMLPOG-UHFFFAOYSA-N 0 0 350.783 2.688 20 10 FFCDRN NC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(F)nc3)SC2=S)cc1 ZINC000777403489 738286804 /nfs/dbraw/zinc/28/68/04/738286804.db2.gz FMEHPWSHBHTHKH-GHXNOFRVSA-N 0 0 359.407 2.725 20 10 FFCDRN CC(C)(C)C(=O)Nc1nc(CC(=O)NCc2c(O)cccc2F)cs1 ZINC000928704808 738897772 /nfs/dbraw/zinc/89/77/72/738897772.db2.gz DIYOKXXFZGNCRQ-UHFFFAOYSA-N 0 0 365.430 2.831 20 10 FFCDRN Cc1cc(C(=O)OC[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000778357482 738376777 /nfs/dbraw/zinc/37/67/77/738376777.db2.gz 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C[C@@H]1C[C@H]1C(=O)Nc1ccc(F)cc1C(=O)NCc1ccc(O)cc1O ZINC000910945565 982106765 /nfs/dbraw/zinc/10/67/65/982106765.db2.gz DDLXPPXSBNQBDV-QMTHXVAHSA-N 0 0 358.369 2.761 20 10 FFCDRN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)c3cc4cc(O)c(O)cc4s3)[C@@H]2C1 ZINC000897783767 982514228 /nfs/dbraw/zinc/51/42/28/982514228.db2.gz UQEJQBKWYWTEKW-IACUBPJLSA-N 0 0 374.462 2.689 20 10 FFCDRN CC1(C)C(=O)N[C@H]1C1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000897856356 982524514 /nfs/dbraw/zinc/52/45/14/982524514.db2.gz BCZZSKUFJCJORF-INIZCTEOSA-N 0 0 374.462 2.689 20 10 FFCDRN Cn1nccc1[C@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897917257 982553164 /nfs/dbraw/zinc/55/31/64/982553164.db2.gz YLGDIODNKHZIES-XHDPSFHLSA-N 0 0 373.434 2.696 20 10 FFCDRN COCCO[C@]12CCC[C@@]1([NH2+]Cc1cc(F)c(N(C)C)cc1F)CCO2 ZINC000897998141 982571557 /nfs/dbraw/zinc/57/15/57/982571557.db2.gz PCMRGPSFQOCWJA-RTBURBONSA-N 0 0 370.440 2.823 20 10 FFCDRN CCC[C@@H]1NC(=O)N(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)C1=O ZINC000842019381 982605463 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CC[C@@H](C)NC(=O)CN1CCN(Cc2ccc(N(CC)CC)cc2)CC1 ZINC000913173145 984200312 /nfs/dbraw/zinc/20/03/12/984200312.db2.gz PUTKECCEFZRGGE-GOSISDBHSA-N 0 0 360.546 2.565 20 10 FFCDRN COC1CCN(c2ccc(CN3CCO[C@@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000828036820 984282003 /nfs/dbraw/zinc/28/20/03/984282003.db2.gz QMAJOIUHZFNEEV-NHCUHLMSSA-N 0 0 360.498 2.682 20 10 FFCDRN CCc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1F ZINC000163926857 984314269 /nfs/dbraw/zinc/31/42/69/984314269.db2.gz XJLYVANKPKGHFO-NSHDSACASA-N 0 0 360.385 2.918 20 10 FFCDRN Cc1cc(C(=O)N2CCN3C(=O)OCC[C@H]3C2)c(C)n1-c1ccc(F)cc1 ZINC000764264624 984391834 /nfs/dbraw/zinc/39/18/34/984391834.db2.gz QFSVPLAKTAQSMV-KRWDZBQOSA-N 0 0 371.412 2.900 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cc1F ZINC000057739121 984515459 /nfs/dbraw/zinc/51/54/59/984515459.db2.gz UFVPEKDUCJYTCT-UHFFFAOYSA-N 0 0 355.413 2.771 20 10 FFCDRN CCOC(=O)C[C@@H]1CCC[N@@H+]1Cc1c2cc(F)ccc2n(C)c1C(=O)[O-] ZINC001596617189 984587901 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CN(c1ccc(CNC(=O)NCCNC(=O)C2CC2)cc1)C1CCCCC1 ZINC000062932820 985664053 /nfs/dbraw/zinc/66/40/53/985664053.db2.gz LSIVYEOHJMKSDC-UHFFFAOYSA-N 0 0 372.513 2.781 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccccc2Cn2cncn2)c1 ZINC000173131701 985759672 /nfs/dbraw/zinc/75/96/72/985759672.db2.gz WWSRAZZOUJHMGJ-ZDUSSCGKSA-N 0 0 352.394 2.532 20 10 FFCDRN CC(C)Cn1ccnc1CNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000173290184 985788578 /nfs/dbraw/zinc/78/85/78/985788578.db2.gz MCSMTPNIXIKHAY-UHFFFAOYSA-N 0 0 353.470 2.915 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1-n1cncn1 ZINC000173325971 985792286 /nfs/dbraw/zinc/79/22/86/985792286.db2.gz CEIMPKVKNZEDOU-UHFFFAOYSA-N 0 0 353.401 2.711 20 10 FFCDRN CC(C)Cn1ccnc1CNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000173449274 985832086 /nfs/dbraw/zinc/83/20/86/985832086.db2.gz RWTNRHYOKGPNHO-UHFFFAOYSA-N 0 0 355.486 2.921 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C(C)(C)c1ccccc1 ZINC000785440414 985843557 /nfs/dbraw/zinc/84/35/57/985843557.db2.gz 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C[C@H](NC(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1O ZINC000827986967 988249792 /nfs/dbraw/zinc/24/97/92/988249792.db2.gz UTLUSLZPPPXKEZ-ZDUSSCGKSA-N 0 0 352.390 2.532 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc(Oc2cnccn2)c1 ZINC000762267321 988262799 /nfs/dbraw/zinc/26/27/99/988262799.db2.gz DGYJUDSYGIYACS-UHFFFAOYSA-N 0 0 351.362 2.653 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCn3nc(C4CC4)cc3C2)cc1F ZINC000915366475 988483469 /nfs/dbraw/zinc/48/34/69/988483469.db2.gz OWLKZUOSPXPJBJ-UHFFFAOYSA-N 0 0 357.433 2.691 20 10 FFCDRN COc1cccc(CNC(=O)NCCCN(C)c2ccccc2F)c1O ZINC000073795724 989028111 /nfs/dbraw/zinc/02/81/11/989028111.db2.gz SOVMFVMSECJJNV-UHFFFAOYSA-N 0 0 361.417 2.866 20 10 FFCDRN Cc1cc(CCNC(=O)N[C@H](C)c2nncn2C)c(C)n1-c1ccccc1 ZINC000916220778 989761600 /nfs/dbraw/zinc/76/16/00/989761600.db2.gz ALTJFXFNSUCQFJ-OAHLLOKOSA-N 0 0 366.469 2.826 20 10 FFCDRN CCNC(=O)COc1ccc(CN2CCc3cc(OC)ccc32)cc1OC ZINC000127710331 1015505546 /nfs/dbraw/zinc/50/55/46/1015505546.db2.gz JMPURNBXSAEOFM-UHFFFAOYSA-N 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/nfs/dbraw/zinc/12/46/83/990124683.db2.gz IMRSJUZRNNBRLL-UHFFFAOYSA-N 0 0 372.412 2.834 20 10 FFCDRN O=C(CNC(=O)C1CCCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000917364879 990202172 /nfs/dbraw/zinc/20/21/72/990202172.db2.gz QFJWXPZTPQMIEO-GOSISDBHSA-N 0 0 374.481 2.596 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NCC[C@H]3CC(=O)N(C)C3)cc2)CC1 ZINC000917522959 990232852 /nfs/dbraw/zinc/23/28/52/990232852.db2.gz LCUCCKVFZPHIOH-SFHVURJKSA-N 0 0 372.513 2.591 20 10 FFCDRN COC[C@@H](O)C(=O)OCC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC000766145396 990262440 /nfs/dbraw/zinc/26/24/40/990262440.db2.gz BUZBCQXSQXGFBB-HXUWFJFHSA-N 0 0 373.449 2.951 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NC[C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000154530374 990279411 /nfs/dbraw/zinc/27/94/11/990279411.db2.gz MZYQCDBHJBOBPZ-BEFAXECRSA-N 0 0 361.486 2.514 20 10 FFCDRN O=C(NCCCC(=O)N1CCc2ccccc21)NCc1c(O)cccc1F ZINC000918026000 990319546 /nfs/dbraw/zinc/31/95/46/990319546.db2.gz QBDLBWDRUMURSZ-UHFFFAOYSA-N 0 0 371.412 2.700 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H](O)COc2ccccc2)cc1 ZINC000918213029 990357522 /nfs/dbraw/zinc/35/75/22/990357522.db2.gz DYQLMIMBYYBOBE-LJQANCHMSA-N 0 0 371.481 2.772 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cc(-c2ccoc2)n[nH]1 ZINC000918633007 990453819 /nfs/dbraw/zinc/45/38/19/990453819.db2.gz HYLVAHIWYPTMMY-UHFFFAOYSA-N 0 0 370.384 2.575 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@H](c2ccn(C)n2)C1 ZINC000919081281 990566923 /nfs/dbraw/zinc/56/69/23/990566923.db2.gz JRLQKMONYBCDLL-KRWDZBQOSA-N 0 0 355.486 2.884 20 10 FFCDRN C[C@H](NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000919654163 990701535 /nfs/dbraw/zinc/70/15/35/990701535.db2.gz GAEKTPSTXSUGKI-HNNXBMFYSA-N 0 0 372.469 2.534 20 10 FFCDRN CC[C@@](C)(OC)C(=O)Nc1ccc(O)c(CNC(=O)[C@](C)(CC)OC)c1 ZINC000923118901 990870480 /nfs/dbraw/zinc/87/04/80/990870480.db2.gz KGNXEEDMSFFGOV-RBUKOAKNSA-N 0 0 366.458 2.577 20 10 FFCDRN CC[C@](C)(OC)C(=O)NCc1cc(NC(=O)[C@](C)(CC)OC)ccc1O ZINC000923118900 990870726 /nfs/dbraw/zinc/87/07/26/990870726.db2.gz KGNXEEDMSFFGOV-OALUTQOASA-N 0 0 366.458 2.577 20 10 FFCDRN COc1ccc(O)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000187111958 990935303 /nfs/dbraw/zinc/93/53/03/990935303.db2.gz LUCUBTVCXUSOHY-UHFFFAOYSA-N 0 0 370.449 2.540 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000921068776 990958567 /nfs/dbraw/zinc/95/85/67/990958567.db2.gz NZIDDESJADCUML-UHFFFAOYSA-N 0 0 370.478 2.759 20 10 FFCDRN CC(C)C(=O)NC1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC001590939076 990969904 /nfs/dbraw/zinc/96/99/04/990969904.db2.gz QKLJJCMZBILKRI-UHFFFAOYSA-N 0 0 370.449 2.980 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCOC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000921216195 991010023 /nfs/dbraw/zinc/01/00/23/991010023.db2.gz UTCASVFJSPDUGG-CQSZACIVSA-N 0 0 371.389 2.585 20 10 FFCDRN CN(C)c1ncccc1CNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000175080150 991150661 /nfs/dbraw/zinc/15/06/61/991150661.db2.gz YFARIQQQHAFUSL-UHFFFAOYSA-N 0 0 354.454 2.731 20 10 FFCDRN COC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)c1ccco1 ZINC000175440105 991203795 /nfs/dbraw/zinc/20/37/95/991203795.db2.gz HBACFRYVWCPWMT-SFHVURJKSA-N 0 0 373.453 2.944 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCCNC(=O)C2CCC2)cc1 ZINC000175653921 991232171 /nfs/dbraw/zinc/23/21/71/991232171.db2.gz GLUAJUODRFWUHV-UHFFFAOYSA-N 0 0 360.502 2.638 20 10 FFCDRN COc1cc2nc(C[NH2+][C@H](C)c3ccccc3O)[nH]c(=O)c2cc1OC ZINC000879648419 1015624143 /nfs/dbraw/zinc/62/41/43/1015624143.db2.gz ODOBEQWZLFBKMS-LLVKDONJSA-N 0 0 355.394 2.909 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCCN3CCOC3=O)c2C)cc1 ZINC000170857546 991304251 /nfs/dbraw/zinc/30/42/51/991304251.db2.gz OJMSECYWOGDWRO-UHFFFAOYSA-N 0 0 371.437 2.675 20 10 FFCDRN Cc1ccc(CNC(=O)Cc2ccc(N)cc2)c(OC[C@H]2CCCO2)c1 ZINC000237744396 991334142 /nfs/dbraw/zinc/33/41/42/991334142.db2.gz VANMSKXMULEUCS-LJQANCHMSA-N 0 0 354.450 2.994 20 10 FFCDRN O=C(Cc1c[nH]c2ccccc12)N1CCN(Cc2cc(F)ccc2O)CC1 ZINC000179937073 991376188 /nfs/dbraw/zinc/37/61/88/991376188.db2.gz 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ZINC000181771348 991880766 /nfs/dbraw/zinc/88/07/66/991880766.db2.gz YRELDYCIFHPHJN-NRFANRHFSA-N 0 0 354.450 2.642 20 10 FFCDRN CC(=O)N[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000069772247 991887631 /nfs/dbraw/zinc/88/76/31/991887631.db2.gz MZXMHVFNDDQXBU-HXUWFJFHSA-N 0 0 353.466 2.979 20 10 FFCDRN O=C(/C=C/c1cncc(O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000182149170 991972329 /nfs/dbraw/zinc/97/23/29/991972329.db2.gz UATNHANULNIBIG-DVBCCOPCSA-N 0 0 354.406 2.714 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cnc3c(cnn3C)c2OC)cc1 ZINC000182212799 991983479 /nfs/dbraw/zinc/98/34/79/991983479.db2.gz UONHEDFVGRJMFM-UHFFFAOYSA-N 0 0 367.453 2.753 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)C1(c2ccc(F)cc2F)CCOCC1 ZINC000182551121 992114992 /nfs/dbraw/zinc/11/49/92/992114992.db2.gz JOWAUJPWKHCPHN-UHFFFAOYSA-N 0 0 363.360 2.741 20 10 FFCDRN COc1ccc(-n2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)n2)cc1 ZINC000183467612 992452266 /nfs/dbraw/zinc/45/22/66/992452266.db2.gz REOHRNMWYHKUDX-ZDUSSCGKSA-N 0 0 367.405 2.653 20 10 FFCDRN Cc1noc(C2CC2)c1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000183729036 992535828 /nfs/dbraw/zinc/53/58/28/992535828.db2.gz HLWJCYWWBXPLMM-UHFFFAOYSA-N 0 0 368.437 2.716 20 10 FFCDRN CC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@@H](C)C1 ZINC000763633598 992555481 /nfs/dbraw/zinc/55/54/81/992555481.db2.gz BQVWGOBCLYVMNX-HNNXBMFYSA-N 0 0 371.456 2.969 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2noc(-c3ccccc3)n2)cc1 ZINC000183815858 992567376 /nfs/dbraw/zinc/56/73/76/992567376.db2.gz PQDWZTWGYWPNBM-UHFFFAOYSA-N 0 0 353.378 2.925 20 10 FFCDRN CCc1cc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)CC2)nc(C)n1 ZINC001089865349 992662421 /nfs/dbraw/zinc/66/24/21/992662421.db2.gz UNQOTSPBXHJGNN-QRVBRYPASA-N 0 0 370.497 2.558 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cc(=O)[nH]c(C4CC4)c3)CC2)cc1 ZINC000184342292 992722328 /nfs/dbraw/zinc/72/23/28/992722328.db2.gz ITAKKHKZZBVKES-UHFFFAOYSA-N 0 0 367.449 2.660 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Nc3cncc(N(C)C)c3)CC2)cc1 ZINC000880363168 1015814951 /nfs/dbraw/zinc/81/49/51/1015814951.db2.gz QARZLJVOJRFLQX-UHFFFAOYSA-N 0 0 369.469 2.900 20 10 FFCDRN Cc1cc(F)ccc1CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000808649720 994190047 /nfs/dbraw/zinc/19/00/47/994190047.db2.gz KDLRPMIMRAWNHP-UHFFFAOYSA-N 0 0 371.456 2.517 20 10 FFCDRN C[C@H]([NH2+][C@@H](CC(=O)N(C)C)c1ccccc1)c1cc(C(=O)[O-])ccc1O ZINC001593204171 994197791 /nfs/dbraw/zinc/19/77/91/994197791.db2.gz NIBYKYPYXSYZLN-GUYCJALGSA-N 0 0 356.422 2.961 20 10 FFCDRN Cc1cc(C(=O)COC(=O)c2cn(C)nn2)c(C)n1-c1cccc(C)c1 ZINC000808663537 994208170 /nfs/dbraw/zinc/20/81/70/994208170.db2.gz ZVZQHKODQLZARO-UHFFFAOYSA-N 0 0 352.394 2.571 20 10 FFCDRN CC[C@@H]1CCC[C@H]1NC(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000808737500 994248653 /nfs/dbraw/zinc/24/86/53/994248653.db2.gz MCERUCHSMKPSKE-BPQIPLTHSA-N 0 0 374.481 2.595 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@@H](CC(N)=O)C2)c(C)n1-c1ccc(C)cc1 ZINC000808773079 994255292 /nfs/dbraw/zinc/25/52/92/994255292.db2.gz IPMCLUCEZUMGPY-KRWDZBQOSA-N 0 0 353.466 2.783 20 10 FFCDRN C[C@H]([NH2+]C[C@@H](O)c1cc(F)c(F)c(F)c1)c1cc(C(=O)[O-])ccc1O ZINC001593246013 994444718 /nfs/dbraw/zinc/44/47/18/994444718.db2.gz FZPQMFUWWPFORL-VXJOIVPMSA-N 0 0 355.312 2.892 20 10 FFCDRN CNC(=O)N1CCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000809584414 994552360 /nfs/dbraw/zinc/55/23/60/994552360.db2.gz XWKYVJQBZTXRNI-UHFFFAOYSA-N 0 0 364.493 2.706 20 10 FFCDRN COc1ccc(-c2ocnc2C(=O)NCc2cccc(OC)c2O)cc1 ZINC000809659832 994567110 /nfs/dbraw/zinc/56/71/10/994567110.db2.gz FHZKDNSADVLFOK-UHFFFAOYSA-N 0 0 354.362 2.994 20 10 FFCDRN C[C@@H]([NH2+]CCCn1cc(Br)cn1)c1cc(C(=O)[O-])ccc1O ZINC001593267671 994590440 /nfs/dbraw/zinc/59/04/40/994590440.db2.gz QTFVAIJBTZFDHQ-SNVBAGLBSA-N 0 0 368.231 2.790 20 10 FFCDRN CCS(=O)(=O)N1CCN(Cc2cc(-c3ccccc3)ccc2O)[C@H](C)C1 ZINC000809724991 994596042 /nfs/dbraw/zinc/59/60/42/994596042.db2.gz HFWLZJFDAJVOMZ-MRXNPFEDSA-N 0 0 374.506 2.915 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc4c3CC(=O)CC4)CC2)cc1 ZINC000809940242 994644057 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COc1ccc(N(C)CCN(C)C(=O)[C@H](O)[C@H](C)c2ccccc2F)cc1 ZINC001144879970 1000391891 /nfs/dbraw/zinc/39/18/91/1000391891.db2.gz WQTFKSPLSCFYHJ-FOIQADDNSA-N 0 0 374.456 2.894 20 10 FFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@H](F)c3ccccc3)cc2)C1 ZINC000768983073 1000399727 /nfs/dbraw/zinc/39/97/27/1000399727.db2.gz VGQVXASRIOOTCH-IEBWSBKVSA-N 0 0 369.440 2.715 20 10 FFCDRN COC(=O)c1cccc(CCNC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000769010838 1000417124 /nfs/dbraw/zinc/41/71/24/1000417124.db2.gz WBWKPNFRJPHFLD-ZDUSSCGKSA-N 0 0 372.421 2.790 20 10 FFCDRN COc1ccc(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)c(OC)c1 ZINC000846756342 1000421513 /nfs/dbraw/zinc/42/15/13/1000421513.db2.gz XEZPMJKZWXSPMM-UHFFFAOYSA-N 0 0 358.486 2.978 20 10 FFCDRN COc1cccc(O)c1CN1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000769314935 1000490383 /nfs/dbraw/zinc/49/03/83/1000490383.db2.gz RSOVAENPNMGLQS-UHFFFAOYSA-N 0 0 362.376 2.637 20 10 FFCDRN COc1ccc(CNC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c(O)c1 ZINC000846950824 1000494537 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/nfs/dbraw/zinc/09/59/90/1001095990.db2.gz SDJAILASOZFSFH-MRXNPFEDSA-N 0 0 354.454 2.787 20 10 FFCDRN O=C(Nc1ccc(OC[C@@H]2CCCO2)c(F)c1)c1cc(O)c(O)c(O)c1 ZINC001148588104 1001176744 /nfs/dbraw/zinc/17/67/44/1001176744.db2.gz OAZGDMYLICPDGI-LBPRGKRZSA-N 0 0 363.341 2.753 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)/C=C/c2cncc(F)c2)cc1 ZINC000785851568 1001496328 /nfs/dbraw/zinc/49/63/28/1001496328.db2.gz CYWUKAAGTFYGJM-RMKNXTFCSA-N 0 0 371.412 2.502 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CCC(C)(C)C3)cc2)CC1 ZINC000786258954 1001557397 /nfs/dbraw/zinc/55/73/97/1001557397.db2.gz JBGWMZPSHIRDLR-SFHVURJKSA-N 0 0 357.498 2.798 20 10 FFCDRN CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cc(F)c(F)cc1[O-] ZINC001276193310 1016507716 /nfs/dbraw/zinc/50/77/16/1016507716.db2.gz YTHKJJQWERHNDH-LJQANCHMSA-N 0 0 368.424 2.664 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000786923060 1001644421 /nfs/dbraw/zinc/64/44/21/1001644421.db2.gz MTUUQFIFTKEZQC-MSOLQXFVSA-N 0 0 357.498 2.831 20 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/nfs/dbraw/zinc/81/52/30/1001815230.db2.gz JOFXNUXXJQGTID-UHFFFAOYSA-N 0 0 357.406 2.868 20 10 FFCDRN COc1ccc(CCS(=O)(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000788608753 1001825185 /nfs/dbraw/zinc/82/51/85/1001825185.db2.gz BOJWGHVUEHBNBP-UHFFFAOYSA-N 0 0 374.506 2.740 20 10 FFCDRN CCc1ccccc1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788932367 1001913615 /nfs/dbraw/zinc/91/36/15/1001913615.db2.gz LNXXCHOEYRPVAL-UHFFFAOYSA-N 0 0 365.477 2.782 20 10 FFCDRN CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788936937 1001927350 /nfs/dbraw/zinc/92/73/50/1001927350.db2.gz LNNOYFAOCDGFIX-MJGOQNOKSA-N 0 0 357.498 2.988 20 10 FFCDRN CC[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788938171 1001927687 /nfs/dbraw/zinc/92/76/87/1001927687.db2.gz QBEPSTXJPNVIKB-AEFFLSMTSA-N 0 0 357.498 2.988 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H]2Cc3ccccc32)cc1 ZINC000788975948 1001939584 /nfs/dbraw/zinc/93/95/84/1001939584.db2.gz UADQIEBNAPVNED-SFHVURJKSA-N 0 0 365.477 2.605 20 10 FFCDRN CN(C)C1(C(=O)Nc2ccc(NC(=O)Nc3ccc(N)cc3)cc2)CC1 ZINC001182600462 1001977702 /nfs/dbraw/zinc/97/77/02/1001977702.db2.gz JWAWNRBXCZODAE-UHFFFAOYSA-N 0 0 353.426 2.946 20 10 FFCDRN Cc1cnn(Cc2cc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)no2)c1 ZINC000773012371 1002028381 /nfs/dbraw/zinc/02/83/81/1002028381.db2.gz XUAYIXZWVAGNKC-AWEZNQCLSA-N 0 0 353.426 2.785 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@](C)(CO)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001183144996 1002169957 /nfs/dbraw/zinc/16/99/57/1002169957.db2.gz FJZJTXCLKGJNPN-GOSISDBHSA-N 0 0 364.373 2.531 20 10 FFCDRN O=C(NCc1ccc(N2CCCCCC2)nc1)c1c(F)ccc(O)c1O ZINC000789957334 1002238363 /nfs/dbraw/zinc/23/83/63/1002238363.db2.gz QZVRMXLOJBGZQI-UHFFFAOYSA-N 0 0 359.401 2.942 20 10 FFCDRN COc1cccc(CNC(=O)CC2(NC(=O)OC(C)(C)C)CCC2)c1O ZINC000746882558 1002292100 /nfs/dbraw/zinc/29/21/00/1002292100.db2.gz IXDIHVPSSKQDTF-UHFFFAOYSA-N 0 0 364.442 2.855 20 10 FFCDRN C[C@H](c1cccc(N2CCOC2=O)c1)N(C)C(=O)c1cccc(O)c1O ZINC000790200278 1002302475 /nfs/dbraw/zinc/30/24/75/1002302475.db2.gz CRXGEUDQWHOUDJ-GFCCVEGCSA-N 0 0 356.378 2.888 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(F)(F)C1CCOCC1 ZINC000790231322 1002316211 /nfs/dbraw/zinc/31/62/11/1002316211.db2.gz LXHWDNZLHZDVJM-UHFFFAOYSA-N 0 0 368.424 2.544 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCn4cnnc4[C@H]3C)cc2)CC1 ZINC000790317692 1002328604 /nfs/dbraw/zinc/32/86/04/1002328604.db2.gz HGVSRHTWIQLBGT-MRXNPFEDSA-N 0 0 368.485 2.801 20 10 FFCDRN COC(=O)c1c(CN2CCO[C@@H](C(F)F)C2)c2cc(F)ccc2n1C ZINC001183686297 1002351858 /nfs/dbraw/zinc/35/18/58/1002351858.db2.gz QRWIQOGYNQLEFS-CQSZACIVSA-N 0 0 356.344 2.570 20 10 FFCDRN C[C@H](NC(=O)N1C[C@H](C)OC2(CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000790524317 1002406607 /nfs/dbraw/zinc/40/66/07/1002406607.db2.gz FRGICZCGGDAZFV-HOTGVXAUSA-N 0 0 361.486 2.793 20 10 FFCDRN CCOC(=O)Cn1ccc2cc(NC(=O)c3cccc(O)c3O)ccc21 ZINC000790603678 1002430766 /nfs/dbraw/zinc/43/07/66/1002430766.db2.gz IPQLXEHIPQDYKZ-UHFFFAOYSA-N 0 0 354.362 2.868 20 10 FFCDRN C[C@H]1CCCN(C(=O)c2cccc(O)c2O)[C@@H]1CNC(=O)OC(C)(C)C ZINC000790887740 1002508132 /nfs/dbraw/zinc/50/81/32/1002508132.db2.gz MPTRSVWVLYPFKU-GXTWGEPZSA-N 0 0 364.442 2.863 20 10 FFCDRN CCCN(C(=O)c1cccc(O)c1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000790887392 1002508324 /nfs/dbraw/zinc/50/83/24/1002508324.db2.gz JHSHAYUTGKSGLP-ZDUSSCGKSA-N 0 0 364.442 2.959 20 10 FFCDRN CC[C@@H]1CN(C(=O)c2cccc(O)c2O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000790904005 1002515513 /nfs/dbraw/zinc/51/55/13/1002515513.db2.gz FFZURQGOHFNCFN-TZMCWYRMSA-N 0 0 364.442 2.863 20 10 FFCDRN COC(=O)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC1CCCC1 ZINC001184229208 1002532675 /nfs/dbraw/zinc/53/26/75/1002532675.db2.gz PTCOSALGDQYFAA-AWEZNQCLSA-N 0 0 366.414 2.768 20 10 FFCDRN Cc1cc(=O)oc2cc([O-])c(C[N@@H+](C)CC(=O)N3CCCC[C@@H](C)C3)cc12 ZINC001184356707 1002565501 /nfs/dbraw/zinc/56/55/01/1002565501.db2.gz LRAKDDNXOXDUGY-CQSZACIVSA-N 0 0 372.465 2.887 20 10 FFCDRN Cc1ccc(CN2C[C@@H]3CCCS(=O)(=O)[C@@]3(C(F)(F)F)C2)c(O)c1 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1023989324 /nfs/dbraw/zinc/98/93/24/1023989324.db2.gz FJAKBBBIIIKNID-UHFFFAOYSA-N 0 0 373.432 2.515 20 10 FFCDRN COc1ccc(OC)c(CN2CCN(Cc3c(O)cccc3F)CC2)c1 ZINC001137837336 1033178008 /nfs/dbraw/zinc/17/80/08/1033178008.db2.gz BRASIRSFWQGCGY-UHFFFAOYSA-N 0 0 360.429 2.866 20 10 FFCDRN C[C@H](NC(=O)N[C@H](C(N)=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1 ZINC001121902973 1024152737 /nfs/dbraw/zinc/15/27/37/1024152737.db2.gz KQSPFMJQUSICHF-SJCJKPOMSA-N 0 0 374.872 2.993 20 10 FFCDRN CC(C)(C)c1ccc(CCNC(=O)COC(=O)c2cccc(O)c2O)cc1 ZINC000758548212 1024169267 /nfs/dbraw/zinc/16/92/67/1024169267.db2.gz QFPSPLSAUVWXJE-UHFFFAOYSA-N 0 0 371.433 2.911 20 10 FFCDRN Cc1ccc(CN(C(=O)COC(=O)c2cccc(O)c2O)C2CC2)cc1 ZINC000758562477 1024176890 /nfs/dbraw/zinc/17/68/90/1024176890.db2.gz RYOMZAAMCIPOFC-UHFFFAOYSA-N 0 0 355.390 2.754 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CNc3ccc(C)cc3OC)CC2)cc1 ZINC000079183256 1024206955 /nfs/dbraw/zinc/20/69/55/1024206955.db2.gz PCHIBUHTOLPNAP-UHFFFAOYSA-N 0 0 369.465 2.773 20 10 FFCDRN CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)c1cccc(O)c1O ZINC001124017562 1024227228 /nfs/dbraw/zinc/22/72/28/1024227228.db2.gz AXJTZGZXSHUQRS-UHFFFAOYSA-N 0 0 364.442 2.817 20 10 FFCDRN O=C(NCc1cccc(O)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000079728782 1024348344 /nfs/dbraw/zinc/34/83/44/1024348344.db2.gz FVDPNYYIJBWYBP-GOSISDBHSA-N 0 0 356.422 2.989 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](CO)Cc2ccccc2)cc1 ZINC000079969436 1024443194 /nfs/dbraw/zinc/44/31/94/1024443194.db2.gz NEGOHBFLPHKJFJ-IBGZPJMESA-N 0 0 355.482 2.936 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(c3nncn3C)CC2)cc1 ZINC000193413687 1024505468 /nfs/dbraw/zinc/50/54/68/1024505468.db2.gz WUNYKSUXOQNOJE-UHFFFAOYSA-N 0 0 370.501 2.751 20 10 FFCDRN COc1cc(N2CCN(C(=O)Cc3ccc(C)o3)CC2)cc(OC)c1OC ZINC000759241847 1024531151 /nfs/dbraw/zinc/53/11/51/1024531151.db2.gz JBLWPRBPKJOASF-UHFFFAOYSA-N 0 0 374.437 2.505 20 10 FFCDRN CC(C)CO[C@@H](C)c1noc(COC(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000759577533 1024672000 /nfs/dbraw/zinc/67/20/00/1024672000.db2.gz ARYAPSZOYAATCO-HWPRWLFBSA-N 0 0 362.382 2.971 20 10 FFCDRN CC(=O)N(c1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)cs1)C1CC1 ZINC000759577523 1024672095 /nfs/dbraw/zinc/67/20/95/1024672095.db2.gz AOMUSPWALIOFNY-CLTKARDFSA-N 0 0 374.418 2.826 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCCOc1ccc2c(c1)OCO2 ZINC000759594874 1024679697 /nfs/dbraw/zinc/67/96/97/1024679697.db2.gz NIDBZJPABCUBIG-XVNBXDOJSA-N 0 0 358.346 2.852 20 10 FFCDRN C[C@H](CNC(=O)NCc1ccc(N(C)C)c(F)c1)NC(=O)OC(C)(C)C ZINC000194115556 1024745698 /nfs/dbraw/zinc/74/56/98/1024745698.db2.gz PGNGKUPSDJPWEN-GFCCVEGCSA-N 0 0 368.453 2.604 20 10 FFCDRN CCC(CC)N1C[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC1=O ZINC000195740271 1025044772 /nfs/dbraw/zinc/04/47/72/1025044772.db2.gz KYPZPGBHPYGJKE-KRWDZBQOSA-N 0 0 357.498 2.722 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccccc3)CC2)cc1F ZINC000084814535 1025148230 /nfs/dbraw/zinc/14/82/30/1025148230.db2.gz OEFMEQFVAUAUJY-HNNXBMFYSA-N 0 0 358.413 2.950 20 10 FFCDRN CCCn1cc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cn1 ZINC000084879385 1025153707 /nfs/dbraw/zinc/15/37/07/1025153707.db2.gz HHMCZACCGROYPY-UHFFFAOYSA-N 0 0 361.421 2.795 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cnn(CC4CC4)c3)CC2)cc1F ZINC000084879491 1025153990 /nfs/dbraw/zinc/15/39/90/1025153990.db2.gz DELHQSGRFSMLEC-UHFFFAOYSA-N 0 0 373.432 2.795 20 10 FFCDRN COc1ccc(N2CCN(C[C@H](O)COc3cccc(C)c3)CC2)cc1F ZINC000084963959 1025161324 /nfs/dbraw/zinc/16/13/24/1025161324.db2.gz IIHZCINZZJPCHI-SFHVURJKSA-N 0 0 374.456 2.705 20 10 FFCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC[C@@H]3CO)c2C)cc1 ZINC000085788737 1025227191 /nfs/dbraw/zinc/22/71/91/1025227191.db2.gz MWJHQPCTBZEHOT-GOSISDBHSA-N 0 0 370.449 2.520 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(O)ccc2O)CCC1(F)F ZINC001141161994 1025546022 /nfs/dbraw/zinc/54/60/22/1025546022.db2.gz JASHURQXZZQSDB-AWEZNQCLSA-N 0 0 358.385 2.832 20 10 FFCDRN COC[C@@]1(CO)CCN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000837076522 1025552037 /nfs/dbraw/zinc/55/20/37/1025552037.db2.gz GRFRLYHHUKKPNA-FQEVSTJZSA-N 0 0 360.429 2.704 20 10 FFCDRN COC[C@]1(CO)CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC000837076459 1025552601 /nfs/dbraw/zinc/55/26/01/1025552601.db2.gz DULXLZOGAUCOAX-OAQYLSRUSA-N 0 0 356.466 2.874 20 10 FFCDRN C[C@@H](NC(=O)NCCNC(=O)c1ccc(Cl)cc1)c1ccccc1O ZINC001223115618 1033293671 /nfs/dbraw/zinc/29/36/71/1033293671.db2.gz GCNNZKKYWGJJDB-GFCCVEGCSA-N 0 0 361.829 2.836 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](NC(=O)N(C)C)C2)cc1 ZINC000837132550 1025603205 /nfs/dbraw/zinc/60/32/05/1025603205.db2.gz GSJBJMUFZPVFON-GOSISDBHSA-N 0 0 368.481 2.970 20 10 FFCDRN Cc1ccc(C)c(N2N=C(C(=O)NCc3ccc(N)cc3)CCC2=O)c1 ZINC000837303509 1025712882 /nfs/dbraw/zinc/71/28/82/1025712882.db2.gz TWMDRCIVGZGZCX-UHFFFAOYSA-N 0 0 350.422 2.685 20 10 FFCDRN Cc1cc(C(=O)COC(=O)C[C@@](C)(O)C2CC2)c(C)n1-c1ccc(F)cn1 ZINC000837597565 1025919674 /nfs/dbraw/zinc/91/96/74/1025919674.db2.gz UPQNAMQSHWCYBP-HXUWFJFHSA-N 0 0 374.412 2.905 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000837626339 1025931676 /nfs/dbraw/zinc/93/16/76/1025931676.db2.gz JFFNZSITTNZVQW-HOCLYGCPSA-N 0 0 371.403 2.742 20 10 FFCDRN Cc1cc(C(=O)COC(=O)C2(CCO)CC2)c(C)n1-c1ccc(F)cn1 ZINC000837643154 1025940049 /nfs/dbraw/zinc/94/00/49/1025940049.db2.gz LLEKBNFPBFZDGJ-UHFFFAOYSA-N 0 0 360.385 2.517 20 10 FFCDRN C[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccnc1 ZINC000837707039 1025973828 /nfs/dbraw/zinc/97/38/28/1025973828.db2.gz JEPTZCMFXLVCLT-CYBMUJFWSA-N 0 0 361.392 2.616 20 10 FFCDRN C[C@@H]1CC[C@@H](CCC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)O1 ZINC000837707957 1025975001 /nfs/dbraw/zinc/97/50/01/1025975001.db2.gz PVKAQMCITZBTEN-HIFRSBDPSA-N 0 0 368.424 2.765 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1coc(C2CC2)n1 ZINC000837710388 1025976721 /nfs/dbraw/zinc/97/67/21/1025976721.db2.gz NOUJKFULVDTGSU-UHFFFAOYSA-N 0 0 363.364 2.597 20 10 FFCDRN Cc1ncccc1/C=C/C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837715051 1025981272 /nfs/dbraw/zinc/98/12/72/1025981272.db2.gz PYQIPPGJUDESJP-SNAWJCMRSA-N 0 0 373.403 2.834 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@@](C)(O)C2CCC2)c(C)n1-c1ccc(F)cn1 ZINC000837741449 1025993562 /nfs/dbraw/zinc/99/35/62/1025993562.db2.gz XPFMMRQXHSTKMS-FQEVSTJZSA-N 0 0 374.412 2.905 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COC(=O)c3cc(C)cs3)CC2)cc1 ZINC000837761995 1026006372 /nfs/dbraw/zinc/00/63/72/1026006372.db2.gz WBXMUVGTTQIASF-UHFFFAOYSA-N 0 0 374.462 2.571 20 10 FFCDRN C[NH+](C)C[C@H]1COCCN1Cc1cc(Cl)cc(Br)c1[O-] ZINC001141374168 1026070187 /nfs/dbraw/zinc/07/01/87/1026070187.db2.gz ABMGSBMGIZBKJV-LBPRGKRZSA-N 0 0 363.683 2.571 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3[C@H]3CCC[C@@H]3O)ccc21 ZINC000838031576 1026175217 /nfs/dbraw/zinc/17/52/17/1026175217.db2.gz KJEBINMDKHJBJM-RLLQIKCJSA-N 0 0 357.498 2.904 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3[C@@H]3CCC[C@@H]3O)ccc21 ZINC000838031579 1026175247 /nfs/dbraw/zinc/17/52/47/1026175247.db2.gz KJEBINMDKHJBJM-SXLOBPIMSA-N 0 0 357.498 2.904 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](CO)c2ccnn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000838059541 1026187712 /nfs/dbraw/zinc/18/77/12/1026187712.db2.gz BTPWLHIDJSOOHI-IBGZPJMESA-N 0 0 366.465 2.908 20 10 FFCDRN Cc1cc(C(=O)COC(=O)C[C@H]2CCC(=O)NC2)c(C)n1-c1ccccc1 ZINC000838355608 1026328329 /nfs/dbraw/zinc/32/83/29/1026328329.db2.gz PNDWYYPCFFGCLX-MRXNPFEDSA-N 0 0 368.433 2.736 20 10 FFCDRN COc1ccc([C@H](CO)CNC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000838476681 1026380568 /nfs/dbraw/zinc/38/05/68/1026380568.db2.gz ANJGQIYNKLNBDG-SFHVURJKSA-N 0 0 371.481 2.645 20 10 FFCDRN CC[C@H](NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](C)O ZINC000838499389 1026392129 /nfs/dbraw/zinc/39/21/29/1026392129.db2.gz LUVQRIWWHUZAIU-XEZPLFJOSA-N 0 0 371.428 2.715 20 10 FFCDRN COc1ccc([C@@H](CO)CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000838560056 1026412190 /nfs/dbraw/zinc/41/21/90/1026412190.db2.gz TVGYBVPCTWXGGM-MAUKXSAKSA-N 0 0 371.481 2.898 20 10 FFCDRN COc1ccc([C@H](CO)CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000838560057 1026412318 /nfs/dbraw/zinc/41/23/18/1026412318.db2.gz TVGYBVPCTWXGGM-QAPCUYQASA-N 0 0 371.481 2.898 20 10 FFCDRN C[C@@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@@H]1C ZINC000838738425 1026486648 /nfs/dbraw/zinc/48/66/48/1026486648.db2.gz DFEKHETVTSMRSU-KGLIPLIRSA-N 0 0 367.440 2.989 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)C2CC2)cc1 ZINC000838743340 1026489456 /nfs/dbraw/zinc/48/94/56/1026489456.db2.gz KTEUORSYONWCGX-RTBURBONSA-N 0 0 370.497 2.580 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H](OC)C34CCC4)CC2)cc1 ZINC000838768640 1026499084 /nfs/dbraw/zinc/49/90/84/1026499084.db2.gz RACNUWRZAYECAN-OALUTQOASA-N 0 0 373.497 2.875 20 10 FFCDRN CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(C4CC4)nc3)cc2F)CC1 ZINC000838932157 1026540554 /nfs/dbraw/zinc/54/05/54/1026540554.db2.gz FFMXBBIFIWERLM-UHFFFAOYSA-N 0 0 369.488 2.925 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N(C)Cc2ccccn2)cc1 ZINC000839221657 1026623476 /nfs/dbraw/zinc/62/34/76/1026623476.db2.gz CPPVWSZZCKIZJT-UHFFFAOYSA-N 0 0 368.481 2.545 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](c2ccccn2)C1 ZINC000839275597 1026638825 /nfs/dbraw/zinc/63/88/25/1026638825.db2.gz XVMHLYYIQGXWLX-MRXNPFEDSA-N 0 0 367.449 2.542 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C)O[C@H](CC)C1 ZINC000839339554 1026651198 /nfs/dbraw/zinc/65/11/98/1026651198.db2.gz LWAPYYXRJBIRBD-NVXWUHKLSA-N 0 0 362.470 2.547 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000839516292 1026710395 /nfs/dbraw/zinc/71/03/95/1026710395.db2.gz GYYKZMODBHBXTD-CYBMUJFWSA-N 0 0 370.409 2.785 20 10 FFCDRN CCc1csc(NC(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000839633307 1026767254 /nfs/dbraw/zinc/76/72/54/1026767254.db2.gz HCKHHZWFIHJQRP-CYBMUJFWSA-N 0 0 374.510 2.766 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@H](O)[C@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839666772 1026785124 /nfs/dbraw/zinc/78/51/24/1026785124.db2.gz NUCMGVXRPZKGER-RXVVDRJESA-N 0 0 370.493 2.569 20 10 FFCDRN Cc1cc(C(=O)CN2CCO[C@H]([C@@H](C)O)C2)c(C)n1-c1ccccc1C ZINC000839673059 1026787509 /nfs/dbraw/zinc/78/75/09/1026787509.db2.gz UVXUFVWRFWCSLW-UTKZUKDTSA-N 0 0 356.466 2.667 20 10 FFCDRN Cc1cc(C(=O)CN2CCO[C@@H]([C@H](C)O)C2)c(C)n1-c1cccc(C)c1 ZINC000839673012 1026787990 /nfs/dbraw/zinc/78/79/90/1026787990.db2.gz UOHHTQCBBMGLIM-LAUBAEHRSA-N 0 0 356.466 2.667 20 10 FFCDRN Cc1cn2ccnc(C(=O)N[C@@H](C)Cc3ccc(N(C)C)cc3C)c2n1 ZINC000839922763 1026867305 /nfs/dbraw/zinc/86/73/05/1026867305.db2.gz YVJHRGLSRFYGQL-AWEZNQCLSA-N 0 0 351.454 2.773 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c[nH]nc1-c1cnn(C)c1 ZINC000839922607 1026867526 /nfs/dbraw/zinc/86/75/26/1026867526.db2.gz WODAZNVWEOTLSK-CQSZACIVSA-N 0 0 366.469 2.546 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCCCN1CCOCC1 ZINC000839922408 1026867656 /nfs/dbraw/zinc/86/76/56/1026867656.db2.gz UCVONMLNYBBLKK-GOSISDBHSA-N 0 0 361.530 2.611 20 10 FFCDRN C[C@@H](SCCCO)C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000840212359 1027009411 /nfs/dbraw/zinc/00/94/11/1027009411.db2.gz NMLZJXLACRNAQD-GFCCVEGCSA-N 0 0 369.442 2.905 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCNc1ccccn1 ZINC000840242950 1027016917 /nfs/dbraw/zinc/01/69/17/1027016917.db2.gz FHONJUIWGISADP-MRXNPFEDSA-N 0 0 355.486 2.798 20 10 FFCDRN CO[C@@](C)([C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000840266175 1027025897 /nfs/dbraw/zinc/02/58/97/1027025897.db2.gz LXNSPKPEOXIYBS-QRWLVFNGSA-N 0 0 361.486 2.526 20 10 FFCDRN CCCN1CCCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1=O ZINC000840482094 1027089102 /nfs/dbraw/zinc/08/91/02/1027089102.db2.gz SJBHWEVRFSCUDJ-QGZVFWFLSA-N 0 0 374.529 2.646 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC2(CC1)OCCO2 ZINC000840487631 1027092180 /nfs/dbraw/zinc/09/21/80/1027092180.db2.gz GXUMTEUOBOWGCK-INIZCTEOSA-N 0 0 361.486 2.541 20 10 FFCDRN COc1cccc(C[C@H](O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840554155 1027112730 /nfs/dbraw/zinc/11/27/30/1027112730.db2.gz DMGDUUXQJWHTMU-IERDGZPVSA-N 0 0 370.493 2.720 20 10 FFCDRN CCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840557158 1027114516 /nfs/dbraw/zinc/11/45/16/1027114516.db2.gz PNJXPZGNHNPOSM-APWZRJJASA-N 0 0 359.514 2.899 20 10 FFCDRN CN1C(=O)/C(=C\c2cnc(N3CCCC3)nc2)c2cc([N+](=O)[O-])ccc21 ZINC000840722040 1027229206 /nfs/dbraw/zinc/22/92/06/1027229206.db2.gz FALZOWBOZIHIDB-NVNXTCNLSA-N 0 0 351.366 2.502 20 10 FFCDRN CC1(NC(=O)NCc2ccc(N3CCOCC3)cc2)Cc2ccccc2C1 ZINC000092195077 1027244852 /nfs/dbraw/zinc/24/48/52/1027244852.db2.gz MVKCELMETNSVDO-UHFFFAOYSA-N 0 0 365.477 2.880 20 10 FFCDRN Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1C(C)C ZINC000092248073 1027252018 /nfs/dbraw/zinc/25/20/18/1027252018.db2.gz YXMSWVVFGKAYFN-UHFFFAOYSA-N 0 0 356.470 2.881 20 10 FFCDRN O=C(CNc1nc(-c2cccnc2)nc2c1CCC2)c1ccc(O)c(O)c1 ZINC001159280557 1027336422 /nfs/dbraw/zinc/33/64/22/1027336422.db2.gz XPSYAZKIVGKEID-UHFFFAOYSA-N 0 0 362.389 2.733 20 10 FFCDRN CCCc1nc2cc(C(=O)NCCc3cc(O)c(O)cc3O)cc(C)c2[nH]1 ZINC001153453630 1027890025 /nfs/dbraw/zinc/89/00/25/1027890025.db2.gz DXZAXLGUHDJUHK-UHFFFAOYSA-N 0 0 369.421 2.913 20 10 FFCDRN CCC[C@@H]1C(=O)NCCN1C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC001153540065 1027921966 /nfs/dbraw/zinc/92/19/66/1027921966.db2.gz TVZJIOBGDHXMOF-GOSISDBHSA-N 0 0 357.429 2.974 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)[C@H]1COc2ccc(Br)cc21 ZINC001153885137 1028045055 /nfs/dbraw/zinc/04/50/55/1028045055.db2.gz LIYQRJKARKKZRJ-ZDUSSCGKSA-N 0 0 364.195 2.653 20 10 FFCDRN CC1(C)N(C(=O)Cc2ccc(N)cc2)CC[C@]12c1ccccc1OC2=O ZINC001161164203 1028046354 /nfs/dbraw/zinc/04/63/54/1028046354.db2.gz XIRJJXXKVXOXIB-OAQYLSRUSA-N 0 0 350.418 2.679 20 10 FFCDRN Nc1n[nH]c2cc(C(=O)NCc3cc(Cl)c4cccnc4c3O)ccc12 ZINC001154177415 1028176214 /nfs/dbraw/zinc/17/62/14/1028176214.db2.gz OHSUCIPYJOJOGP-UHFFFAOYSA-N 0 0 367.796 2.982 20 10 FFCDRN O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@]2(C1)CC(=O)c1ccccc1O2 ZINC001161640597 1028261236 /nfs/dbraw/zinc/26/12/36/1028261236.db2.gz IVCZJUNAHAWQAX-HSTAZWAASA-N 0 0 365.385 2.748 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cn1nnc2ccccc21 ZINC001162113007 1028438741 /nfs/dbraw/zinc/43/87/41/1028438741.db2.gz CBFSOPNYDTWOAM-HNNXBMFYSA-N 0 0 351.454 2.553 20 10 FFCDRN CCN(Cc1ccccc1O)c1nccc(N2CCC(C(=O)OC)CC2)n1 ZINC001154888725 1028498509 /nfs/dbraw/zinc/49/85/09/1028498509.db2.gz JLMZIZXRNSJNFI-UHFFFAOYSA-N 0 0 370.453 2.598 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2nccnc2c1 ZINC001162539726 1028573426 /nfs/dbraw/zinc/57/34/26/1028573426.db2.gz LXWKANCNKLXDEO-UHFFFAOYSA-N 0 0 365.389 2.541 20 10 FFCDRN C[C@@H]1c2ccccc2CCN1C(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155222573 1028631268 /nfs/dbraw/zinc/63/12/68/1028631268.db2.gz QASBQMKLOMNCBA-LLVKDONJSA-N 0 0 351.358 2.964 20 10 FFCDRN Cc1[nH]nc2cc(NC(=O)c3cc4cc(O)c(O)cc4oc3=O)cc(F)c12 ZINC001155227782 1028634802 /nfs/dbraw/zinc/63/48/02/1028634802.db2.gz FHLGSOHNHSPHOZ-UHFFFAOYSA-N 0 0 369.308 2.780 20 10 FFCDRN COc1ccc(Cn2nnc(C(=O)N[C@@H](C)c3ccccc3O)c2C)cc1 ZINC000827960482 1028833773 /nfs/dbraw/zinc/83/37/73/1028833773.db2.gz PUHPWWLRIQIPRY-ZDUSSCGKSA-N 0 0 366.421 2.840 20 10 FFCDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[C@@H]1CCCOC1 ZINC000780863814 1028838470 /nfs/dbraw/zinc/83/84/70/1028838470.db2.gz XEZYNUDFDRCAAQ-JQHSSLGASA-N 0 0 362.470 2.898 20 10 FFCDRN O=[N+]([O-])c1cccc2ncnc(NCc3ccc(N4CCOCC4)cc3)c21 ZINC000780911992 1028863298 /nfs/dbraw/zinc/86/32/98/1028863298.db2.gz TWEUCOYPDRSLRN-UHFFFAOYSA-N 0 0 365.393 2.987 20 10 FFCDRN Cc1ccc(CNC(=O)c2ccc(C)c(O)c2O)c(O[C@@H]2CCOC2)c1 ZINC000780967916 1028903813 /nfs/dbraw/zinc/90/38/13/1028903813.db2.gz YAGLDYHWDKHIKY-OAHLLOKOSA-N 0 0 357.406 2.812 20 10 FFCDRN Cc1ccc(C(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(O)c1O ZINC000780984992 1028914319 /nfs/dbraw/zinc/91/43/19/1028914319.db2.gz ANMLRFFPMUSMEJ-UHFFFAOYSA-N 0 0 370.405 2.501 20 10 FFCDRN C[C@H](NC(=O)CN1CC[C@H](c2ccccc2)NC1=O)c1ccccc1O ZINC000827960083 1028918412 /nfs/dbraw/zinc/91/84/12/1028918412.db2.gz ISWOMUDMVHKKSN-WMLDXEAASA-N 0 0 353.422 2.726 20 10 FFCDRN Cc1ccc(C(=O)Nc2cnn(-c3cnc4ccccc4n3)c2)c(O)c1O ZINC000780999693 1028925795 /nfs/dbraw/zinc/92/57/95/1028925795.db2.gz QZHXWNNFUBYPKD-UHFFFAOYSA-N 0 0 361.361 2.787 20 10 FFCDRN CCOC(=O)c1cnc(Cl)nc1N1CCCc2cc(O)c(O)cc2C1 ZINC001155933493 1028979871 /nfs/dbraw/zinc/97/98/71/1028979871.db2.gz VBIQLPUIKZZYOI-UHFFFAOYSA-N 0 0 363.801 2.671 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2C[C@@H](O)[C@@H](O)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC001155977921 1029000061 /nfs/dbraw/zinc/00/00/61/1029000061.db2.gz PGMJBZVBPSQVNO-IRTIRVBGSA-N 0 0 356.466 2.832 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H](C)Cc2ccc(OC)c(OC)c2)c1 ZINC000781349890 1029156789 /nfs/dbraw/zinc/15/67/89/1029156789.db2.gz HEQWESLUNNIXAG-ZDUSSCGKSA-N 0 0 359.422 2.913 20 10 FFCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)c1nccc2c[nH]nc21 ZINC001156479476 1029209550 /nfs/dbraw/zinc/20/95/50/1029209550.db2.gz XYLOQLJBGRRLTG-JUPJRWMYSA-N 0 0 358.365 2.925 20 10 FFCDRN COC(=O)C[C@](C)(NC(=O)c1ccc(C)c(O)c1O)c1cccc(OC)c1 ZINC000781429693 1029210240 /nfs/dbraw/zinc/21/02/40/1029210240.db2.gz YKFHOEPTFLPZAO-FQEVSTJZSA-N 0 0 373.405 2.623 20 10 FFCDRN CCN(CC)c1ccc(CN(C)CC(=O)Nc2ccccc2C(N)=O)cc1 ZINC000781617994 1029308483 /nfs/dbraw/zinc/30/84/83/1029308483.db2.gz ZUOAVKSKAKPDOM-UHFFFAOYSA-N 0 0 368.481 2.702 20 10 FFCDRN CC1(C)CC[C@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000781623378 1029311758 /nfs/dbraw/zinc/31/17/58/1029311758.db2.gz DGYOFUGEOLJXMJ-IRXDYDNUSA-N 0 0 357.498 2.831 20 10 FFCDRN O=C(CCc1cnn(-c2ccccc2)c1)OCC(=O)c1ccc(O)c(O)c1 ZINC000782199264 1029606856 /nfs/dbraw/zinc/60/68/56/1029606856.db2.gz KZDJDQXKTZONEA-UHFFFAOYSA-N 0 0 366.373 2.642 20 10 FFCDRN CO[C@H](C)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000782282881 1029638896 /nfs/dbraw/zinc/63/88/96/1029638896.db2.gz VEQSGJMHPDXRMV-SNVBAGLBSA-N 0 0 369.329 2.562 20 10 FFCDRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000827964570 1029717019 /nfs/dbraw/zinc/71/70/19/1029717019.db2.gz QRPJNCAURMSKHX-KBXCAEBGSA-N 0 0 368.433 2.883 20 10 FFCDRN COCCn1cc(C(=O)NCc2ccc(N3CCCCC3)cc2)c(C)n1 ZINC000782553166 1029742606 /nfs/dbraw/zinc/74/26/06/1029742606.db2.gz XHYKUEMRNBTVFN-UHFFFAOYSA-N 0 0 356.470 2.758 20 10 FFCDRN COCCn1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c(C)n1 ZINC000782581059 1029753323 /nfs/dbraw/zinc/75/33/23/1029753323.db2.gz JRHCJZDOQOUTBI-UHFFFAOYSA-N 0 0 358.486 2.955 20 10 FFCDRN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000782784143 1029819671 /nfs/dbraw/zinc/81/96/71/1029819671.db2.gz SHHXLXQSKOELIL-XHDPSFHLSA-N 0 0 369.373 2.732 20 10 FFCDRN COc1c([O-])c(C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)ccc1[N+](=O)[O-] ZINC000840963346 1029947431 /nfs/dbraw/zinc/94/74/31/1029947431.db2.gz MXKPOGFOBXSCII-UHFFFAOYSA-N 0 0 362.426 2.586 20 10 FFCDRN COc1ccccc1C1(CNC(=O)C(=O)Nc2ccc(N)cc2)CCCC1 ZINC000841019699 1029981048 /nfs/dbraw/zinc/98/10/48/1029981048.db2.gz NKXDTNNXQAMDBP-UHFFFAOYSA-N 0 0 367.449 2.844 20 10 FFCDRN COc1ccccc1SC[C@@H](C)CNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841030494 1029990044 /nfs/dbraw/zinc/99/00/44/1029990044.db2.gz XRDAMSXSHCJESG-ZDUSSCGKSA-N 0 0 373.478 2.761 20 10 FFCDRN Nc1ccc(CCNC(=O)Nc2cccc(CN3CCCC3=O)c2)cc1 ZINC000841032456 1029991567 /nfs/dbraw/zinc/99/15/67/1029991567.db2.gz FDPGAJNZFMQHEE-UHFFFAOYSA-N 0 0 352.438 2.755 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])c2nonc21 ZINC000841137284 1030065839 /nfs/dbraw/zinc/06/58/39/1030065839.db2.gz URNGABYMNGORBS-UHFFFAOYSA-N 0 0 369.381 2.604 20 10 FFCDRN CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)cc1 ZINC000783537159 1030144049 /nfs/dbraw/zinc/14/40/49/1030144049.db2.gz VKXUIJPQJWSXKM-LPHOPBHVSA-N 0 0 369.513 2.718 20 10 FFCDRN Nc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000841300019 1030168309 /nfs/dbraw/zinc/16/83/09/1030168309.db2.gz LMQOHAATXNBNFC-SFHVURJKSA-N 0 0 352.438 2.624 20 10 FFCDRN CCc1ccc(C(=O)N2CCN(C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC000841302509 1030173846 /nfs/dbraw/zinc/17/38/46/1030173846.db2.gz YEPGMCIJYAUWBQ-UHFFFAOYSA-N 0 0 352.438 2.821 20 10 FFCDRN CC(C)(C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000783763504 1030270432 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FFCDRN Cc1cc(CCNC(=O)Nc2nnn(C)c2C)c(C)n1-c1ccccc1 ZINC000841796668 1030471222 /nfs/dbraw/zinc/47/12/22/1030471222.db2.gz KAUCDMUZWIMVED-UHFFFAOYSA-N 0 0 352.442 2.895 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ccc(NC(N)=S)cn2)C1 ZINC001166817090 1030531220 /nfs/dbraw/zinc/53/12/20/1030531220.db2.gz SQCGSBPABIVDFR-UHFFFAOYSA-N 0 0 367.478 2.800 20 10 FFCDRN COCCOc1ccc(N2CCc3c(c4cc(OC)ccc4n3C)C2)nn1 ZINC001166817379 1030532707 /nfs/dbraw/zinc/53/27/07/1030532707.db2.gz CVHLZDQWBFLTBW-UHFFFAOYSA-N 0 0 368.437 2.565 20 10 FFCDRN CCOC(=O)c1cncnc1N1CCc2c(c3cc(OC)ccc3n2C)C1 ZINC001166819278 1030534120 /nfs/dbraw/zinc/53/41/20/1030534120.db2.gz VIDAXTWTJNJBSS-UHFFFAOYSA-N 0 0 366.421 2.716 20 10 FFCDRN O=C1NC[C@@H](c2ccccc2)[C@]12CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517767 1030568895 /nfs/dbraw/zinc/56/88/95/1030568895.db2.gz ZGDJXNOFBVRGLJ-MGPUTAFESA-N 0 0 358.388 2.776 20 10 FFCDRN O=C(c1ccc(F)cc1)N1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142524571 1030576482 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IQRWWKSAKCMUQV-UHFFFAOYSA-N 0 0 369.373 2.855 20 10 FFCDRN COC(=O)C1=CC(NC(=O)c2ccc(-c3ccc(C=O)cc3)cc2)=S=C1 ZINC001545508843 1071793209 /nfs/dbraw/zinc/79/32/09/1071793209.db2.gz PNFHQTAVFVCXLX-UHFFFAOYSA-N 0 0 365.410 2.674 20 10 FFCDRN CCc1nnc(N2CCCO[C@H](C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001513905542 1058658402 /nfs/dbraw/zinc/65/84/02/1058658402.db2.gz QAOPIFAKCJYOFV-CQSZACIVSA-N 0 0 361.465 2.709 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(Cl)ccc1-n1cncn1 ZINC001447560003 1058671051 /nfs/dbraw/zinc/67/10/51/1058671051.db2.gz DKKDOIWFPNNXKM-NSHDSACASA-N 0 0 372.812 2.693 20 10 FFCDRN COc1ccc(CNC(=O)CCc2ccc3c(c2)OC(F)(F)O3)c(O)c1 ZINC000848022586 1058722195 /nfs/dbraw/zinc/72/21/95/1058722195.db2.gz DLUUFTRSBWNVIH-UHFFFAOYSA-N 0 0 365.332 2.971 20 10 FFCDRN CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)c1c(F)cccc1F ZINC001545595095 1071812434 /nfs/dbraw/zinc/81/24/34/1071812434.db2.gz CGHGKFRLURJHIH-UGSOOPFHSA-N 0 0 351.349 2.547 20 10 FFCDRN COc1ccc(CNC(=O)c2cn(-c3cccc(F)c3)nc2C)c(O)c1 ZINC001448373483 1058770011 /nfs/dbraw/zinc/77/00/11/1058770011.db2.gz MGEVOUDJAJWIDR-UHFFFAOYSA-N 0 0 355.369 2.964 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(Cn2cc(Cl)cn2)s1 ZINC001545639337 1071824671 /nfs/dbraw/zinc/82/46/71/1071824671.db2.gz LBVMKLZZGRDYMA-UHFFFAOYSA-N 0 0 363.826 2.988 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)C[C@@H]1c1ccccc1 ZINC001450913921 1059065176 /nfs/dbraw/zinc/06/51/76/1059065176.db2.gz YNXAOSRRLVOHCG-WVDJOFFCSA-N 0 0 367.401 2.526 20 10 FFCDRN COc1cc(C(N)=O)ccc1NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001451356632 1059104487 /nfs/dbraw/zinc/10/44/87/1059104487.db2.gz RAFJHQIFLDTVFK-UHFFFAOYSA-N 0 0 358.375 2.672 20 10 FFCDRN CO[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O)C(C)C ZINC001503987120 1059128583 /nfs/dbraw/zinc/12/85/83/1059128583.db2.gz OLDATDNRDUNOME-WMZOPIPTSA-N 0 0 374.485 2.795 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000848146843 1059130347 /nfs/dbraw/zinc/13/03/47/1059130347.db2.gz YEACUDNUARKQMH-NNTYKDFWSA-N 0 0 350.418 2.706 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@]3(OC)CCSC3)C2)cc1 ZINC001514932320 1059152668 /nfs/dbraw/zinc/15/26/68/1059152668.db2.gz VRNPRFBPVGHRGG-KBXCAEBGSA-N 0 0 351.468 2.587 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc(C)nc(NC4CC4)c3)C2)cc1 ZINC001453221419 1059349072 /nfs/dbraw/zinc/34/90/72/1059349072.db2.gz VHBHPKJWFXKZFK-KRWDZBQOSA-N 0 0 366.465 2.982 20 10 FFCDRN COC(=O)[C@H](C)Oc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1F ZINC001453549264 1059383410 /nfs/dbraw/zinc/38/34/10/1059383410.db2.gz NPYRWPKUNGXFNZ-JTQLQIEISA-N 0 0 363.341 2.738 20 10 FFCDRN Cc1cccc(S(=O)(=O)N2CCCc3cc(O)c(O)cc3C2)c1F ZINC001200767172 1059428067 /nfs/dbraw/zinc/42/80/67/1059428067.db2.gz BJNBKOSSOVTDOE-UHFFFAOYSA-N 0 0 351.399 2.682 20 10 FFCDRN C[C@H](NC(=O)CN1c2ccccc2OC(F)(F)C1=O)c1ccccc1O ZINC001454812634 1059629633 /nfs/dbraw/zinc/62/96/33/1059629633.db2.gz BKJFUDIHXOUNAT-NSHDSACASA-N 0 0 362.332 2.588 20 10 FFCDRN CC(C)c1ccc(N2CC[C@@H](C(=O)NCc3cc(O)ccc3O)C2=O)cc1 ZINC001455356523 1059770159 /nfs/dbraw/zinc/77/01/59/1059770159.db2.gz IUXVCYFWHFFSON-SFHVURJKSA-N 0 0 368.433 2.891 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1cnn(Cc2ccccc2Cl)c1 ZINC001455356749 1059771537 /nfs/dbraw/zinc/77/15/37/1059771537.db2.gz KGTWFDFHKYWSTA-UHFFFAOYSA-N 0 0 357.797 2.926 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2n[nH]cc2C(=O)N(C)C)cc1 ZINC001455614510 1059835367 /nfs/dbraw/zinc/83/53/67/1059835367.db2.gz PMHYKZNJKPGDBW-UHFFFAOYSA-N 0 0 351.410 2.771 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CC(c2nnc(C)[nH]2)C1 ZINC001455624470 1059841639 /nfs/dbraw/zinc/84/16/39/1059841639.db2.gz GRAVQGSPRXWGSD-UHFFFAOYSA-N 0 0 363.421 2.573 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC(=O)N(C)c2ccccc21 ZINC001355106194 1059898863 /nfs/dbraw/zinc/89/88/63/1059898863.db2.gz CSBFNDGMFHVUNN-AWEZNQCLSA-N 0 0 359.422 2.644 20 10 FFCDRN O=C(NCc1c(O)cccc1F)C(F)(F)n1cc(-c2ccccc2)nn1 ZINC001456029491 1059990897 /nfs/dbraw/zinc/99/08/97/1059990897.db2.gz NZEMQGPYVRUJPJ-UHFFFAOYSA-N 0 0 362.311 2.656 20 10 FFCDRN CC(C)Cn1nc(C(=O)NCc2c(O)cccc2F)c2ccccc2c1=O ZINC001456101608 1060011874 /nfs/dbraw/zinc/01/18/74/1060011874.db2.gz SWFWKRPKKNBGBA-UHFFFAOYSA-N 0 0 369.396 2.827 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H](O)c1ccnn1C ZINC001456193351 1060045901 /nfs/dbraw/zinc/04/59/01/1060045901.db2.gz OFPZZSKNZAJSCN-IBGZPJMESA-N 0 0 352.438 2.599 20 10 FFCDRN Cc1ccc(N2C[C@H](C(=O)NCc3c(O)cccc3O)CCC2=O)cc1C ZINC001456232952 1060059708 /nfs/dbraw/zinc/05/97/08/1060059708.db2.gz CPDAYEBXHZWOSS-OAHLLOKOSA-N 0 0 368.433 2.774 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)c1sccc1-n1cnnn1 ZINC001456312952 1060086003 /nfs/dbraw/zinc/08/60/03/1060086003.db2.gz WPLDXVNJCXCQQI-UHFFFAOYSA-N 0 0 351.391 2.513 20 10 FFCDRN CCOCCCn1c(CN2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001516566310 1060147406 /nfs/dbraw/zinc/14/74/06/1060147406.db2.gz SZTQZYAWVUETFF-UHFFFAOYSA-N 0 0 373.501 2.643 20 10 FFCDRN CCc1cnn(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c1 ZINC000848519777 1060209584 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C[C@@H](CF)NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001460523075 1061010581 /nfs/dbraw/zinc/01/05/81/1061010581.db2.gz QOEWFBNPXXEQSK-AAIQCTMTSA-N 0 0 370.446 2.891 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C)C1CC1 ZINC001475566531 1061142494 /nfs/dbraw/zinc/14/24/94/1061142494.db2.gz HLLUAKHURQUULB-LJQANCHMSA-N 0 0 362.495 2.939 20 10 FFCDRN CC(C)(C)C(=O)N1CCC(COC(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000762920884 1061162926 /nfs/dbraw/zinc/16/29/26/1061162926.db2.gz AZLHNUGVSMUADU-ALCCZGGFSA-N 0 0 361.438 2.939 20 10 FFCDRN Cn1c2cccc(NCc3ccc(N4CCN(C)CC4)c(F)c3)c2oc1=O ZINC001461347124 1061296221 /nfs/dbraw/zinc/29/62/21/1061296221.db2.gz MRALLAWSMWORIP-UHFFFAOYSA-N 0 0 370.428 2.635 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3CC(=O)Nc4ccccc43)C2)cc1 ZINC001461493829 1061334021 /nfs/dbraw/zinc/33/40/21/1061334021.db2.gz IHBNOUYHMHWZTM-KSSFIOAISA-N 0 0 365.433 2.516 20 10 FFCDRN O=C1Nc2ccccc2C[C@H]1[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC001461689280 1061379049 /nfs/dbraw/zinc/37/90/49/1061379049.db2.gz YIOGWSFCKGXVAT-CQSZACIVSA-N 0 0 365.202 2.947 20 10 FFCDRN Cn1cc(/C=C/C(=O)N2CCOc3cc(F)c(Br)cc32)cn1 ZINC001527246171 1061444322 /nfs/dbraw/zinc/44/43/22/1061444322.db2.gz JUXOUOYLSYTEFL-NSCUHMNNSA-N 0 0 366.190 2.761 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cnnn2-c2ccccc2)c1 ZINC001476790238 1061478811 /nfs/dbraw/zinc/47/88/11/1061478811.db2.gz VOLJSEDBVGWOOK-GFCCVEGCSA-N 0 0 353.382 2.864 20 10 FFCDRN COCC(=O)N1CCc2c1cccc2NCc1ccc(OC)c(OC)c1O ZINC001462066242 1061495338 /nfs/dbraw/zinc/49/53/38/1061495338.db2.gz SPOMRLDIKLXNFV-UHFFFAOYSA-N 0 0 372.421 2.557 20 10 FFCDRN CNC(=O)c1ccsc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001477083136 1061573706 /nfs/dbraw/zinc/57/37/06/1061573706.db2.gz OBUGIPYYLBYOMK-UHFFFAOYSA-N 0 0 356.451 2.806 20 10 FFCDRN COC(=O)c1c(CN(C)c2ccc(OC)c(OC)c2)snc1OC ZINC001462382310 1061602667 /nfs/dbraw/zinc/60/26/67/1061602667.db2.gz CTRUPZXYWFCUFV-UHFFFAOYSA-N 0 0 352.412 2.592 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCN(C(=O)OC(C)(C)C)CC2)cc1OC ZINC000766929202 1061734477 /nfs/dbraw/zinc/73/44/77/1061734477.db2.gz WHDWYRJZOVYLJV-UHFFFAOYSA-N 0 0 367.402 2.669 20 10 FFCDRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001528094202 1061746609 /nfs/dbraw/zinc/74/66/09/1061746609.db2.gz FZZWDIZCKTZUJH-ZBFHGGJFSA-N 0 0 362.470 2.572 20 10 FFCDRN Cc1cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c([N+](=O)[O-])s1 ZINC001462730075 1061746795 /nfs/dbraw/zinc/74/67/95/1061746795.db2.gz KNXPECXVVVRHJG-UHFFFAOYSA-N 0 0 369.468 2.851 20 10 FFCDRN COC(=O)/C=C\c1ccc(OCCOC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000767524553 1061777094 /nfs/dbraw/zinc/77/70/94/1061777094.db2.gz PHWNQPBQQYTJAR-POHAHGRESA-N 0 0 372.373 2.828 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H](CO)Cc2cc(F)c(F)c(F)c2)c1 ZINC000767712290 1061791583 /nfs/dbraw/zinc/79/15/83/1061791583.db2.gz PPBNFLOXZQGUDP-LLVKDONJSA-N 0 0 370.327 2.659 20 10 FFCDRN COc1cc(CCNC(=O)NCc2ccc(N3CC=CC3)cc2)ccn1 ZINC001477982748 1061858430 /nfs/dbraw/zinc/85/84/30/1061858430.db2.gz FNOKXRILZBLAMD-UHFFFAOYSA-N 0 0 352.438 2.508 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCc2nc(-c3cccc(F)c3)no2)c1 ZINC001478537103 1062045695 /nfs/dbraw/zinc/04/56/95/1062045695.db2.gz NSUBBJQWEAVXID-UHFFFAOYSA-N 0 0 356.357 2.889 20 10 FFCDRN COc1ccccc1[C@@H](C)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000774825321 1062088401 /nfs/dbraw/zinc/08/84/01/1062088401.db2.gz CGKIEUHGCPXPKK-HUUCEWRRSA-N 0 0 369.465 2.816 20 10 FFCDRN C[C@@H](NS(=O)(=O)C[C@@H]1CC2(CCC2)CO1)c1ccc(N(C)C)cc1 ZINC001463551234 1062155943 /nfs/dbraw/zinc/15/59/43/1062155943.db2.gz FPNJNSDYNMFFRY-PBHICJAKSA-N 0 0 352.500 2.692 20 10 FFCDRN C[C@@H](NS(=O)(=O)C[C@H]1CC2(CCC2)CO1)c1ccc(N(C)C)cc1 ZINC001463551237 1062156413 /nfs/dbraw/zinc/15/64/13/1062156413.db2.gz FPNJNSDYNMFFRY-RHSMWYFYSA-N 0 0 352.500 2.692 20 10 FFCDRN Cc1cc(CCNC(=O)N[C@]2(C)CCOC2=O)c(C)n1-c1ccccc1 ZINC001479063361 1062211408 /nfs/dbraw/zinc/21/14/08/1062211408.db2.gz FZMGXFCALMVVHH-HXUWFJFHSA-N 0 0 355.438 2.641 20 10 FFCDRN COCCn1c(C2CCSCC2)nnc1N(C)Cc1ccccc1O ZINC001522687764 1062255971 /nfs/dbraw/zinc/25/59/71/1062255971.db2.gz YSIWGRJTODLWAE-UHFFFAOYSA-N 0 0 362.499 2.877 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC001463917870 1062329955 /nfs/dbraw/zinc/32/99/55/1062329955.db2.gz NEIWSWQCDZXPQR-UHFFFAOYSA-N 0 0 358.413 2.514 20 10 FFCDRN COC(=O)[C@@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(C)C ZINC001463956977 1062350591 /nfs/dbraw/zinc/35/05/91/1062350591.db2.gz XRHLJBALPGYWTH-SFHVURJKSA-N 0 0 356.422 2.834 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 ZINC001531321991 1062743057 /nfs/dbraw/zinc/74/30/57/1062743057.db2.gz USXRGFDIOMGASM-HNNXBMFYSA-N 0 0 355.413 2.561 20 10 FFCDRN C[C@@H]1CO[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC001531504840 1062784736 /nfs/dbraw/zinc/78/47/36/1062784736.db2.gz UOGAOZKOMPTZRQ-ZENOOKHLSA-N 0 0 354.397 2.798 20 10 FFCDRN NS(=O)(=O)CCCNC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC001464900078 1062900926 /nfs/dbraw/zinc/90/09/26/1062900926.db2.gz SXAJNTVMFRSTTB-UHFFFAOYSA-N 0 0 361.427 2.902 20 10 FFCDRN Cc1cc(C[C@H](C)NC(=O)Cc2ccc(O)c(O)c2)n(-c2ccccc2)n1 ZINC001545909125 1062905333 /nfs/dbraw/zinc/90/53/33/1062905333.db2.gz XBTKZQWBGNKLAX-AWEZNQCLSA-N 0 0 365.433 2.882 20 10 FFCDRN Cn1c(CCNC(=O)c2ccc(N=NC(N)=O)cc2)nc2cc(F)ccc21 ZINC001464968384 1062925429 /nfs/dbraw/zinc/92/54/29/1062925429.db2.gz BDPHVZNOQKOQON-UHFFFAOYSA-N 0 0 368.372 2.847 20 10 FFCDRN COC(=O)[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001465245271 1063025985 /nfs/dbraw/zinc/02/59/85/1063025985.db2.gz ZTDRXBBHRGIVBW-OAHLLOKOSA-N 0 0 354.366 2.536 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001465368377 1063068574 /nfs/dbraw/zinc/06/85/74/1063068574.db2.gz CYPKAYRHTMZGLE-HNNXBMFYSA-N 0 0 357.381 2.901 20 10 FFCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCC[C@H]1C1OCCO1 ZINC001525023743 1063103145 /nfs/dbraw/zinc/10/31/45/1063103145.db2.gz BUESXRKSFVGZLP-LBPRGKRZSA-N 0 0 364.471 2.710 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001465612051 1063155233 /nfs/dbraw/zinc/15/52/33/1063155233.db2.gz ZPXFUHSKPSUBKX-UHFFFAOYSA-N 0 0 361.423 2.702 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)cc1 ZINC001533530758 1063329771 /nfs/dbraw/zinc/32/97/71/1063329771.db2.gz ZTPDNSRRXPLSCH-GOSISDBHSA-N 0 0 351.450 2.835 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCn1cccc1 ZINC001466398731 1063422252 /nfs/dbraw/zinc/42/22/52/1063422252.db2.gz QUNLUOHJODATEC-UHFFFAOYSA-N 0 0 364.829 2.829 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc3sc(=O)n(C)c3cc2C)c1O ZINC001467007237 1063614394 /nfs/dbraw/zinc/61/43/94/1063614394.db2.gz RZCGPCHUKLTNJX-UHFFFAOYSA-N 0 0 373.434 2.944 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C(=O)O1 ZINC001468340496 1063969951 /nfs/dbraw/zinc/96/99/51/1063969951.db2.gz ZEDSGTPRJPYGOY-KSSFIOAISA-N 0 0 359.470 2.959 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC001468619711 1064013742 /nfs/dbraw/zinc/01/37/42/1064013742.db2.gz QLHSYWMQIVZJIU-OAHLLOKOSA-N 0 0 359.813 2.650 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](CO)CCc1ccccc1 ZINC001468744051 1064030143 /nfs/dbraw/zinc/03/01/43/1064030143.db2.gz OBOCUKXHTFZTGF-IBGZPJMESA-N 0 0 355.482 2.854 20 10 FFCDRN Cc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(Cl)c3O)C2=O)cc1 ZINC001468878360 1064053204 /nfs/dbraw/zinc/05/32/04/1064053204.db2.gz FFAICTYEZAHQIP-MRXNPFEDSA-N 0 0 373.840 2.959 20 10 FFCDRN Cc1cc(=O)[nH]c(C(C)(C)NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001469697199 1064193821 /nfs/dbraw/zinc/19/38/21/1064193821.db2.gz DQXSSXREAHJFAI-UHFFFAOYSA-N 0 0 359.407 2.782 20 10 FFCDRN Cc1[nH]nc(I)c1C(=O)N[C@@H](C)c1ccccc1O ZINC001471194207 1064596632 /nfs/dbraw/zinc/59/66/32/1064596632.db2.gz FSSDEPXNMXQGJX-ZETCQYMHSA-N 0 0 371.178 2.519 20 10 FFCDRN C[C@@H](NC(=O)c1sccc1S(=O)(=O)C(F)F)c1ccccc1O ZINC001471195859 1064596739 /nfs/dbraw/zinc/59/67/39/1064596739.db2.gz OBPWXZXQPLQPFK-MRVPVSSYSA-N 0 0 361.391 2.941 20 10 FFCDRN CCOC(=O)[C@@]1(C)CN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CCO1 ZINC001471284669 1064625806 /nfs/dbraw/zinc/62/58/06/1064625806.db2.gz PKOZCOOUIHRPSP-OAQYLSRUSA-N 0 0 370.449 2.888 20 10 FFCDRN O=C(c1ccc(I)cn1)N1Cc2cccc(O)c2C1 ZINC001471355708 1064652705 /nfs/dbraw/zinc/65/27/05/1064652705.db2.gz RWICFUWRDZNNSN-UHFFFAOYSA-N 0 0 366.158 2.548 20 10 FFCDRN Cc1c[nH]c(=O)c(CNC(=O)NCc2cccc(Br)c2O)c1 ZINC001471511542 1064703599 /nfs/dbraw/zinc/70/35/99/1064703599.db2.gz QENBZTNRWAGRRM-UHFFFAOYSA-N 0 0 366.215 2.563 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1ccc(CS(=O)(=O)C(F)F)cc1 ZINC001471975783 1064875493 /nfs/dbraw/zinc/87/54/93/1064875493.db2.gz HIYRRYXUKGAFSW-UHFFFAOYSA-N 0 0 373.352 2.599 20 10 FFCDRN CN(C(=O)OC(C)(C)C)C1(C(=O)NCc2c(O)cccc2F)CCC1 ZINC001471975919 1064876253 /nfs/dbraw/zinc/87/62/53/1064876253.db2.gz MQTLSJYSOZYMRN-UHFFFAOYSA-N 0 0 352.406 2.937 20 10 FFCDRN CN1CCc2nc3ccccc3c(C(=O)NCc3c(O)cccc3O)c2C1 ZINC001472063659 1064913630 /nfs/dbraw/zinc/91/36/30/1064913630.db2.gz PZMNIUZWYDTBBO-UHFFFAOYSA-N 0 0 363.417 2.564 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)c1cc2c([nH]c1=O)CCOC2 ZINC001472085630 1064925981 /nfs/dbraw/zinc/92/59/81/1064925981.db2.gz YJLNQAFJWLRLKP-UHFFFAOYSA-N 0 0 350.374 2.649 20 10 FFCDRN COc1ccc(N2CCN(c3nccc(C)c3[N+](=O)[O-])CC2)c(OC)c1 ZINC001472857691 1065159514 /nfs/dbraw/zinc/15/95/14/1065159514.db2.gz DOWXJMBZKFMENS-UHFFFAOYSA-N 0 0 358.398 2.642 20 10 FFCDRN COC(=O)[C@]1(NC(=O)Cc2ccc(N)cc2)CC[C@H](C)c2ccccc21 ZINC001578780960 1078528933 /nfs/dbraw/zinc/52/89/33/1078528933.db2.gz KQQKLFKVBDXIDH-QKKBWIMNSA-N 0 0 352.434 2.893 20 10 FFCDRN Nc1ccc(NC(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)cc1 ZINC001580449102 1078806629 /nfs/dbraw/zinc/80/66/29/1078806629.db2.gz BIAWMAYBGTUKKH-LLVKDONJSA-N 0 0 353.344 2.659 20 10 FFCDRN Cc1c(Br)c(C(=O)NCc2cc(Cl)ccc2O)nn1C ZINC001583820375 1079270104 /nfs/dbraw/zinc/27/01/04/1079270104.db2.gz AMDGMNWIKYLCSC-UHFFFAOYSA-N 0 0 358.623 2.780 20 10 FFCDRN COC(=O)Cc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1F ZINC001562961662 1074766614 /nfs/dbraw/zinc/76/66/14/1074766614.db2.gz YCSYEHYQKWGZSC-UHFFFAOYSA-N 0 0 362.357 2.577 20 10 FFCDRN COC[C@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001555366757 1075660502 /nfs/dbraw/zinc/66/05/02/1075660502.db2.gz MHLGHUCTZPOACV-HNNXBMFYSA-N 0 0 373.476 2.882 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCc2nc(-c3cccc(F)c3)no2)cc1 ZINC001556396849 1075736983 /nfs/dbraw/zinc/73/69/83/1075736983.db2.gz AUMUPOWAJJRSST-UHFFFAOYSA-N 0 0 368.328 2.968 20 10 FFCDRN COC(=O)c1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1N ZINC001556403263 1075737680 /nfs/dbraw/zinc/73/76/80/1075737680.db2.gz XFKJBNQAFJZKAL-UHFFFAOYSA-N 0 0 358.375 2.934 20 10 FFCDRN C[C@H](c1ccccc1)[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O ZINC001556818281 1075778392 /nfs/dbraw/zinc/77/83/92/1075778392.db2.gz KKOAUHKYKMEHET-QGHHPUGFSA-N 0 0 370.430 2.700 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)COc1ccc(C)c(C)c1 ZINC001557114959 1075809935 /nfs/dbraw/zinc/80/99/35/1075809935.db2.gz PWDQKIZFCOZEQK-UHFFFAOYSA-N 0 0 371.433 2.980 20 10 FFCDRN O=C(N[C@@H](CCO)c1cccc(OC(F)(F)F)c1)c1cccc(O)c1O ZINC001557170040 1075818204 /nfs/dbraw/zinc/81/82/04/1075818204.db2.gz BSDDYOJEBOMRID-ZDUSSCGKSA-N 0 0 371.311 2.850 20 10 FFCDRN COC(=O)c1cc(C(=O)NCc2cc(Cl)ccc2O)cc([N+](=O)[O-])c1 ZINC001557386676 1075844463 /nfs/dbraw/zinc/84/44/63/1075844463.db2.gz XDPQMUVNTIQTJH-UHFFFAOYSA-N 0 0 364.741 2.670 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCc1cccc(COC[C@@H]2CCCO2)c1 ZINC001557611259 1075866687 /nfs/dbraw/zinc/86/66/87/1075866687.db2.gz SUJWMIBBRGZKSX-SFHVURJKSA-N 0 0 371.433 2.652 20 10 FFCDRN Cc1noc(COc2ccc(C(=O)N[C@@H](C)c3ccccc3O)cn2)n1 ZINC001557967938 1075919166 /nfs/dbraw/zinc/91/91/66/1075919166.db2.gz BCUJEPGEKZXMRS-NSHDSACASA-N 0 0 354.366 2.549 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCC[C@@H]2CCn2ccnn2)cc1 ZINC001558785866 1076076941 /nfs/dbraw/zinc/07/69/41/1076076941.db2.gz OYCLISVXCJFYAQ-OAHLLOKOSA-N 0 0 355.402 2.526 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001559263172 1076142314 /nfs/dbraw/zinc/14/23/14/1076142314.db2.gz NLRGBAQZAPBHKY-RXQDGPEHSA-N 0 0 360.410 2.911 20 10 FFCDRN Oc1ccc(O)c(CNc2ccc3nnc(-c4ccc(F)cc4)n3n2)c1 ZINC001559270227 1076143594 /nfs/dbraw/zinc/14/35/94/1076143594.db2.gz ITXBLGDPVBESAD-UHFFFAOYSA-N 0 0 351.341 2.954 20 10 FFCDRN Cc1cc(C(=O)Cn2nnn(C3CC3)c2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC001559419841 1076157502 /nfs/dbraw/zinc/15/75/02/1076157502.db2.gz QFTFOCIXYPBDOY-UHFFFAOYSA-N 0 0 365.437 2.682 20 10 FFCDRN CN(C)c1ccc(CNC(=O)COc2cc([N+](=O)[O-])c(F)cc2F)cc1 ZINC001559423946 1076158153 /nfs/dbraw/zinc/15/81/53/1076158153.db2.gz OOMFFJVLBOJXFW-UHFFFAOYSA-N 0 0 365.336 2.634 20 10 FFCDRN O=C1C[C@H](Oc2ccc(NCc3c(O)cccc3Br)cc2)N1 ZINC001560471459 1076275269 /nfs/dbraw/zinc/27/52/69/1076275269.db2.gz PRNBQSOPMXDCGU-INIZCTEOSA-N 0 0 363.211 2.992 20 10 FFCDRN O=C(NC1CC1)c1c[nH]nc1NCc1cc(Br)cc(F)c1O ZINC001560616820 1076284067 /nfs/dbraw/zinc/28/40/67/1076284067.db2.gz BXZKKXCTGPPINH-UHFFFAOYSA-N 0 0 369.194 2.521 20 10 FFCDRN Cc1ccc(CN2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001560672241 1076290694 /nfs/dbraw/zinc/29/06/94/1076290694.db2.gz ZPFFFHQWKCLOND-YOEHRIQHSA-N 0 0 350.459 2.815 20 10 FFCDRN C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001560693469 1076291921 /nfs/dbraw/zinc/29/19/21/1076291921.db2.gz JDZKQBNGXPGGHP-BDAKNGLRSA-N 0 0 361.667 2.894 20 10 FFCDRN COc1nc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)ccc1C ZINC001560877481 1076306121 /nfs/dbraw/zinc/30/61/21/1076306121.db2.gz UVZPRMGPJVBNSK-UHFFFAOYSA-N 0 0 363.408 2.803 20 10 FFCDRN O=c1[nH]c2cccc(N3CCN(Cc4ccc(Cl)cc4O)CC3)c2[nH]1 ZINC001561018095 1076320114 /nfs/dbraw/zinc/32/01/14/1076320114.db2.gz PEOUAQPMYAGJFL-UHFFFAOYSA-N 0 0 358.829 2.950 20 10 FFCDRN CN(c1ccc(CNC(=O)N[C@@]2(C)CCOC2=O)cc1)C1CCCCC1 ZINC001563802950 1076584038 /nfs/dbraw/zinc/58/40/38/1076584038.db2.gz JSFXEFFMKYIWKF-FQEVSTJZSA-N 0 0 359.470 2.960 20 10 FFCDRN CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC001564130275 1076608149 /nfs/dbraw/zinc/60/81/49/1076608149.db2.gz UIIGOBRXCHVCSJ-QAQDUYKDSA-N 0 0 371.481 2.982 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(Cl)c(F)c([N+](=O)[O-])c1 ZINC001566370325 1076952391 /nfs/dbraw/zinc/95/23/91/1076952391.db2.gz WCIZBYJYXSKNSY-UHFFFAOYSA-N 0 0 354.721 2.771 20 10 FFCDRN C[C@@H]1[C@@H](C)N(C(=O)c2cccc(O)c2O)CCN1C(=O)OC(C)(C)C ZINC001566941129 1076989522 /nfs/dbraw/zinc/98/95/22/1076989522.db2.gz AQUPSIZQAJCROR-VXGBXAGGSA-N 0 0 350.415 2.568 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@]1(C)CC(c2ccccc2)=NO1 ZINC001567467221 1077030151 /nfs/dbraw/zinc/03/01/51/1077030151.db2.gz DZYLXZLNPBERMH-RBZFPXEDSA-N 0 0 354.406 2.728 20 10 FFCDRN COc1ccc(CNC(=O)c2cc(Br)ccc2N)c(O)c1 ZINC001568097531 1077071618 /nfs/dbraw/zinc/07/16/18/1077071618.db2.gz KMORAUNFOQGDHQ-UHFFFAOYSA-N 0 0 351.200 2.676 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@H](CNC(=O)CC3CC3)C2)cc1 ZINC001573156694 1077540222 /nfs/dbraw/zinc/54/02/22/1077540222.db2.gz CTGGZKDDNLZOJP-XJKSGUPXSA-N 0 0 371.441 2.664 20 10 FFCDRN Cc1cc(CNC(=O)c2ccc3n[nH]c(=O)n3c2)c(C)n1-c1ccccc1 ZINC001587027470 1079723228 /nfs/dbraw/zinc/72/32/28/1079723228.db2.gz SMLQVDWCQAKDKR-UHFFFAOYSA-N 0 0 361.405 2.772 20 10 FFCDRN C[C@@H](NC(=O)N[C@H](C)c1ccccc1O)c1cccc(-c2nn[nH]n2)c1 ZINC001589937377 1080882208 /nfs/dbraw/zinc/88/22/08/1080882208.db2.gz PUXPIMZUDOWFBN-VXGBXAGGSA-N 0 0 352.398 2.694 20 10 FFCDRN C[C@H]([NH2+]C1(c2ccc3c(c2)OCO3)CC1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589951600 1080897841 /nfs/dbraw/zinc/89/78/41/1080897841.db2.gz HTRUFAPPEWWJGG-NSHDSACASA-N 0 0 365.393 2.641 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589958461 1080903001 /nfs/dbraw/zinc/90/30/01/1080903001.db2.gz YTVCBVQILMKTKL-JSGCOSHPSA-N 0 0 368.416 2.641 20 10 FFCDRN C[C@@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589978122 1080917044 /nfs/dbraw/zinc/91/70/44/1080917044.db2.gz KSZMUFICUARUKA-CYBMUJFWSA-N 0 0 373.457 2.546 20 10 FFCDRN COC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000109181154 132244321 /nfs/dbraw/zinc/24/43/21/132244321.db2.gz AQSZTRGUJWRGHG-OAHLLOKOSA-N 0 0 368.433 2.801 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)N[C@@H]1CCCOC1 ZINC000369083536 512220018 /nfs/dbraw/zinc/22/00/18/512220018.db2.gz HJHXUXDNYRJOCO-CQSZACIVSA-N 0 0 369.412 2.735 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C2CC2)cc1 ZINC000371141991 512239400 /nfs/dbraw/zinc/23/94/00/512239400.db2.gz IOXDGWHCHBBVJW-MRXNPFEDSA-N 0 0 353.470 2.707 20 10 FFCDRN COC(=O)C1CCN(C(=O)CSc2ncc(-c3ccccc3)n2C)CC1 ZINC000005263821 506432221 /nfs/dbraw/zinc/43/22/21/506432221.db2.gz HIBJWKKYYLZYSR-UHFFFAOYSA-N 0 0 373.478 2.591 20 10 FFCDRN CCNc1nnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000007051164 506529421 /nfs/dbraw/zinc/52/94/21/506529421.db2.gz OIZQEDNEEATVJT-UHFFFAOYSA-N 0 0 365.528 2.787 20 10 FFCDRN CN(C)c1ccc(CN(C)c2ccc3nnc(C(F)(F)F)n3n2)cc1 ZINC000054360295 506542714 /nfs/dbraw/zinc/54/27/14/506542714.db2.gz LJDXDHFIJLWOIP-UHFFFAOYSA-N 0 0 350.348 2.846 20 10 FFCDRN CO[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000054785763 506621369 /nfs/dbraw/zinc/62/13/69/506621369.db2.gz ZIFOJATVRWOUED-FQEVSTJZSA-N 0 0 369.465 2.710 20 10 FFCDRN C[C@@H](CCc1ccco1)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786446 506622906 /nfs/dbraw/zinc/62/29/06/506622906.db2.gz OMLCDAXPBKNHBM-INIZCTEOSA-N 0 0 357.454 2.937 20 10 FFCDRN O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccc(N2CCOCC2)cc1 ZINC000056198741 506959727 /nfs/dbraw/zinc/95/97/27/506959727.db2.gz OVQJGLLFVCQFKN-JXMROGBWSA-N 0 0 367.405 2.761 20 10 FFCDRN O=C(NCc1ccc(O)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000045530440 506979398 /nfs/dbraw/zinc/97/93/98/506979398.db2.gz XEBCRFASGJLTMH-GOSISDBHSA-N 0 0 356.422 2.989 20 10 FFCDRN C[C@H](Sc1nncn1C)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000045643712 506996921 /nfs/dbraw/zinc/99/69/21/506996921.db2.gz IBFDJPMOPAVKRK-HNNXBMFYSA-N 0 0 373.526 2.945 20 10 FFCDRN CC(C)C(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000056484783 507027615 /nfs/dbraw/zinc/02/76/15/507027615.db2.gz 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507720416 /nfs/dbraw/zinc/72/04/16/507720416.db2.gz NLALWMNGJNKSJW-UHFFFAOYSA-N 0 0 358.463 2.620 20 10 FFCDRN O=C(COCC1CC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000071933389 507727235 /nfs/dbraw/zinc/72/72/35/507727235.db2.gz ZBPVHXFKBJZIGW-UHFFFAOYSA-N 0 0 372.387 2.585 20 10 FFCDRN CCOC(=O)c1ccc(N2CCCN(c3ccc(OC)cc3)CC2)nc1 ZINC000052511660 507811528 /nfs/dbraw/zinc/81/15/28/507811528.db2.gz YMYADXRGIAUINH-UHFFFAOYSA-N 0 0 355.438 2.984 20 10 FFCDRN C[C@H]1Oc2ccc(NC(=O)NCc3ccc(N(C)C)cc3)cc2NC1=O ZINC000031727378 507821218 /nfs/dbraw/zinc/82/12/18/507821218.db2.gz PUJCHPZNVTWUSU-GFCCVEGCSA-N 0 0 354.410 2.794 20 10 FFCDRN COc1cc(CNC(=O)NCc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000031727297 507821306 /nfs/dbraw/zinc/82/13/06/507821306.db2.gz CVSCHELRXYLWJE-UHFFFAOYSA-N 0 0 373.453 2.778 20 10 FFCDRN CN(Cc1nc(-c2ccccn2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000078291358 507856836 /nfs/dbraw/zinc/85/68/36/507856836.db2.gz KLUGECIXHPJEPC-UHFFFAOYSA-N 0 0 365.437 2.600 20 10 FFCDRN CN1CC[NH+](CC2CC[NH+](Cc3c([O-])ccc(Cl)c3F)CC2)CC1 ZINC000377631135 512365251 /nfs/dbraw/zinc/36/52/51/512365251.db2.gz QXTRAPAGXGRIRW-UHFFFAOYSA-N 0 0 355.885 2.644 20 10 FFCDRN CCc1nn(C)c(OC)c1CNC(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000091169478 507962134 /nfs/dbraw/zinc/96/21/34/507962134.db2.gz NUMCLROPEBUDRB-UHFFFAOYSA-N 0 0 373.501 2.789 20 10 FFCDRN CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)Cc1ccccc1O ZINC000080133537 508042435 /nfs/dbraw/zinc/04/24/35/508042435.db2.gz QJSZRBSHWHDNEA-IBGZPJMESA-N 0 0 352.434 2.887 20 10 FFCDRN CCOc1cccc(CN2CCN(C(=O)c3cc(C)oc3C)CC2)c1O ZINC000092185549 508048202 /nfs/dbraw/zinc/04/82/02/508048202.db2.gz SNRNFCUOAXWUOZ-UHFFFAOYSA-N 0 0 358.438 2.959 20 10 FFCDRN CC(C)C(=O)N1CCC(C(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000075159925 508086975 /nfs/dbraw/zinc/08/69/75/508086975.db2.gz GNWMEZWFRDZBEJ-UHFFFAOYSA-N 0 0 358.482 2.782 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2sc(C)cn2c1=O ZINC000092865647 508105083 /nfs/dbraw/zinc/10/50/83/508105083.db2.gz URMRJTBQWQOMRW-UHFFFAOYSA-N 0 0 370.478 2.793 20 10 FFCDRN Oc1cccc([C@@H]2CN(Cc3ccc(N4CCOCC4)cc3)CCO2)c1 ZINC000093457755 508145570 /nfs/dbraw/zinc/14/55/70/508145570.db2.gz YGAAXGJKWGPOIH-NRFANRHFSA-N 0 0 354.450 2.802 20 10 FFCDRN CCCCN(CC(F)(F)F)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094037559 508164875 /nfs/dbraw/zinc/16/48/75/508164875.db2.gz JLYRGVPPBCWUTM-UHFFFAOYSA-N 0 0 368.377 2.568 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(c2nccs2)C1 ZINC000081595442 508195449 /nfs/dbraw/zinc/19/54/49/508195449.db2.gz LQWQYUNMYNGEAF-OAHLLOKOSA-N 0 0 372.494 2.611 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1cccc(F)c1F ZINC000102234276 508270408 /nfs/dbraw/zinc/27/04/08/508270408.db2.gz UJPVKGLSDAMVLO-UHFFFAOYSA-N 0 0 350.340 2.871 20 10 FFCDRN C[C@H](c1cccnc1)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000114779862 508346642 /nfs/dbraw/zinc/34/66/42/508346642.db2.gz LPDITRACQUNRLC-QGZVFWFLSA-N 0 0 367.497 2.736 20 10 FFCDRN C[C@H](CCCO)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000088549759 508376176 /nfs/dbraw/zinc/37/61/76/508376176.db2.gz NCOIJTBANKADNS-CYBMUJFWSA-N 0 0 371.428 2.717 20 10 FFCDRN O=C(CCC(=O)c1ccc2c(c1)CCC2)NCCc1ccc(O)c(O)c1 ZINC000156617667 508450804 /nfs/dbraw/zinc/45/08/04/508450804.db2.gz BDJPWDQLBHXUOW-UHFFFAOYSA-N 0 0 353.418 2.908 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCN(c3ccccn3)C2)c(C)n1-c1ccccn1 ZINC000152668779 508490910 /nfs/dbraw/zinc/49/09/10/508490910.db2.gz MHQKTZKRFBPLTE-KRWDZBQOSA-N 0 0 361.449 2.893 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000122351646 508521097 /nfs/dbraw/zinc/52/10/97/508521097.db2.gz AYSLSPPNLWXCSN-UHFFFAOYSA-N 0 0 371.412 2.729 20 10 FFCDRN CC(C)Cn1ncc(C(=O)NCCc2ccc(O)c(O)c2)c1C(F)F ZINC000122446599 508536612 /nfs/dbraw/zinc/53/66/12/508536612.db2.gz LWPRKUQRSKKYKA-UHFFFAOYSA-N 0 0 353.369 2.860 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccnc(Cl)c3F)CC2)cc1F ZINC000153010404 508539464 /nfs/dbraw/zinc/53/94/64/508539464.db2.gz XTDVTTBJYSATDU-UHFFFAOYSA-N 0 0 367.783 2.984 20 10 FFCDRN Cn1nccc1[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000367245802 512404288 /nfs/dbraw/zinc/40/42/88/512404288.db2.gz GWEFOBFBGWFDDH-SFHVURJKSA-N 0 0 367.497 2.892 20 10 FFCDRN COc1cc(C)ccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000128502623 508602427 /nfs/dbraw/zinc/60/24/27/508602427.db2.gz STFXGYLLCBQSRR-UHFFFAOYSA-N 0 0 369.465 2.840 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cnn(CC(C)C)c1 ZINC000153705944 508630399 /nfs/dbraw/zinc/63/03/99/508630399.db2.gz YPRCPQZCAYIEDM-UHFFFAOYSA-N 0 0 371.485 2.592 20 10 FFCDRN CCOc1cccc(CN2CCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000128758082 508639479 /nfs/dbraw/zinc/63/94/79/508639479.db2.gz IQMPMDBVGUHUAD-UHFFFAOYSA-N 0 0 358.413 2.888 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)c(F)cc1F ZINC000128802847 508645774 /nfs/dbraw/zinc/64/57/74/508645774.db2.gz TVQXQQIEJJXQKH-UHFFFAOYSA-N 0 0 350.340 2.871 20 10 FFCDRN COc1cc(Br)cc(CN2CCOC[C@@H]2[C@H]2CCCO2)c1O ZINC000377704774 512409840 /nfs/dbraw/zinc/40/98/40/512409840.db2.gz WRTDAZUTDBLGKF-ZIAGYGMSSA-N 0 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/nfs/dbraw/zinc/95/01/31/508950131.db2.gz GLZPCOJFTHZVDK-XMMPIXPASA-N 0 0 353.532 2.831 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000151106158 508957391 /nfs/dbraw/zinc/95/73/91/508957391.db2.gz FQGGMBOINZSXLK-HUOGQDQXSA-N 0 0 370.493 2.690 20 10 FFCDRN CCc1ncsc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000131744711 508966044 /nfs/dbraw/zinc/96/60/44/508966044.db2.gz STPNDQABDNGNRD-UHFFFAOYSA-N 0 0 359.451 2.545 20 10 FFCDRN COc1cc(N(C)CC(=O)N([C@@H](C)C2CC2)C2CC2)cc(OC)c1OC ZINC000125704153 509018641 /nfs/dbraw/zinc/01/86/41/509018641.db2.gz BUAFMPQICQJJFM-ZDUSSCGKSA-N 0 0 362.470 2.938 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)c1 ZINC000155974821 509103392 /nfs/dbraw/zinc/10/33/92/509103392.db2.gz RFLHZHRRERMHGD-GOSISDBHSA-N 0 0 368.433 2.712 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CSC(=O)N2)cc1 ZINC000266808871 509205118 /nfs/dbraw/zinc/20/51/18/509205118.db2.gz IEGPJDRTIDWQOX-MRXNPFEDSA-N 0 0 359.451 2.699 20 10 FFCDRN COc1cc(N2CCN(C(=O)C3[C@@H]4CCCC[C@H]34)CC2)cc(OC)c1OC ZINC000185499372 509209025 /nfs/dbraw/zinc/20/90/25/509209025.db2.gz ABOMQRAOLAXHFS-MCPYQZEQSA-N 0 0 374.481 2.797 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](Cn3ccnn3)C2)cc1 ZINC000178984401 509213203 /nfs/dbraw/zinc/21/32/03/509213203.db2.gz BXORCMUUPQPGKZ-GOSISDBHSA-N 0 0 370.501 2.746 20 10 FFCDRN C[C@@H](c1ccccc1)[C@@](C)(O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000266967684 509282080 /nfs/dbraw/zinc/28/20/80/509282080.db2.gz KDWRCTHUZLCCBU-HTAPYJJXSA-N 0 0 368.477 2.694 20 10 FFCDRN Cc1c(CC(=O)NCc2ccc(N3CCOCC3)cc2)cccc1[N+](=O)[O-] ZINC000162760095 509295289 /nfs/dbraw/zinc/29/52/89/509295289.db2.gz RXOWJVHFIAHITF-UHFFFAOYSA-N 0 0 369.421 2.599 20 10 FFCDRN CC(=O)OC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000188894330 509312255 /nfs/dbraw/zinc/31/22/55/509312255.db2.gz KPCLWAJZXRMMJP-CYBMUJFWSA-N 0 0 370.396 2.715 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2ccc(C)cn2c1=O ZINC000264165791 509359625 /nfs/dbraw/zinc/35/96/25/509359625.db2.gz ZETOVZWKWDJNHJ-UHFFFAOYSA-N 0 0 351.406 2.761 20 10 FFCDRN CC(=O)CSCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000267312550 509441987 /nfs/dbraw/zinc/44/19/87/509441987.db2.gz LZCXIDGTFAGANU-SFHVURJKSA-N 0 0 364.511 2.582 20 10 FFCDRN CCC(CC)N1C[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)CC1=O ZINC000173195868 509449017 /nfs/dbraw/zinc/44/90/17/509449017.db2.gz CEHOTSHLOWSWEZ-CQSZACIVSA-N 0 0 359.470 2.515 20 10 FFCDRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000173202451 509452198 /nfs/dbraw/zinc/45/21/98/509452198.db2.gz ZKOSENOPLDYPCN-CVEARBPZSA-N 0 0 373.497 2.763 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCCc2ccc3c(c2)CC(=O)N3)cc1 ZINC000264317467 509454149 /nfs/dbraw/zinc/45/41/49/509454149.db2.gz WMLOSTSBWWZEHV-UHFFFAOYSA-N 0 0 351.450 2.886 20 10 FFCDRN C[C@H]1CSCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000192310574 509456052 /nfs/dbraw/zinc/45/60/52/509456052.db2.gz LFECMKGEEOTTEF-CQSZACIVSA-N 0 0 367.490 2.557 20 10 FFCDRN CC(=O)CSCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000192452319 509525339 /nfs/dbraw/zinc/52/53/39/509525339.db2.gz HIYNBXMUEILQAD-UHFFFAOYSA-N 0 0 362.417 2.966 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000182987270 509531853 /nfs/dbraw/zinc/53/18/53/509531853.db2.gz WQTHYQFKZFCEGH-UHFFFAOYSA-N 0 0 364.409 2.764 20 10 FFCDRN C[C@H](OC[C@H]1CCCO1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267592950 509557234 /nfs/dbraw/zinc/55/72/34/509557234.db2.gz UZZAOLXLPHNYPD-LSDHHAIUSA-N 0 0 366.421 2.919 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ncnc3c2cnn3C)cc1 ZINC000165749430 509583818 /nfs/dbraw/zinc/58/38/18/509583818.db2.gz XOLKWPXKUZRZHL-KRWDZBQOSA-N 0 0 366.469 2.615 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)CCCCN2CCOCC2)C2CC2)cc1 ZINC000264766706 509691532 /nfs/dbraw/zinc/69/15/32/509691532.db2.gz OOJYYHARYCCZRJ-UHFFFAOYSA-N 0 0 359.514 2.746 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(O)(c3c(F)cccc3F)CC2)c(O)c1O ZINC000186415356 509699503 /nfs/dbraw/zinc/69/95/03/509699503.db2.gz BVBPEEONAXIGIG-UHFFFAOYSA-N 0 0 363.360 2.808 20 10 FFCDRN COC(=O)CCCCCCNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264796739 509710687 /nfs/dbraw/zinc/71/06/87/509710687.db2.gz XEZKFRIKVCBCTN-FMIVXFBMSA-N 0 0 374.481 2.776 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cccc(O)c1 ZINC000183331595 509721450 /nfs/dbraw/zinc/72/14/50/509721450.db2.gz SHNFDAFYQJPECV-JXMROGBWSA-N 0 0 352.434 2.901 20 10 FFCDRN Cc1ccc(S(=O)(=O)N2CCC([NH2+]Cc3ccccc3O)CC2)cc1 ZINC000237833176 509746264 /nfs/dbraw/zinc/74/62/64/509746264.db2.gz LROSIOPIOCSRRG-UHFFFAOYSA-N 0 0 360.479 2.644 20 10 FFCDRN Cc1ccc2nc(CSCC(=O)NCCc3ccc(N)cc3)cn2c1 ZINC000237904893 509769405 /nfs/dbraw/zinc/76/94/05/509769405.db2.gz WFFCYKFNDNAUAO-UHFFFAOYSA-N 0 0 354.479 2.817 20 10 FFCDRN CN(C)C(=O)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)nc1 ZINC000264913799 509771576 /nfs/dbraw/zinc/77/15/76/509771576.db2.gz ZZNMMOVFGXTJBN-UHFFFAOYSA-N 0 0 368.481 2.604 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000237943354 509782019 /nfs/dbraw/zinc/78/20/19/509782019.db2.gz YIMQICFKNQHMQQ-QGZVFWFLSA-N 0 0 366.465 2.872 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000183446854 509793920 /nfs/dbraw/zinc/79/39/20/509793920.db2.gz QVHACRKHEVTKNK-BBRMVZONSA-N 0 0 368.433 2.736 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CC1(Cl)Cl ZINC000176984395 509800153 /nfs/dbraw/zinc/80/01/53/509800153.db2.gz QFWDSDIGKLRUIZ-LBPRGKRZSA-N 0 0 361.244 2.597 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NCCCC(=O)NC3CC3)cc2)CC1 ZINC000170994489 509879646 /nfs/dbraw/zinc/87/96/46/509879646.db2.gz GURGFEHWGBPEMB-UHFFFAOYSA-N 0 0 372.513 2.781 20 10 FFCDRN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000265155875 509894683 /nfs/dbraw/zinc/89/46/83/509894683.db2.gz LMPNCKDCCDIAFL-MSOLQXFVSA-N 0 0 372.513 2.515 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000186872307 509922486 /nfs/dbraw/zinc/92/24/86/509922486.db2.gz WOJUMTRCHXCRRY-OBNPVOHOSA-N 0 0 361.344 2.989 20 10 FFCDRN Cc1ccc(C(=O)Nc2ccc(Cc3nnc4n3CCC4)cc2)c(O)c1O ZINC000190076474 509924477 /nfs/dbraw/zinc/92/44/77/509924477.db2.gz PGLMEUTYPPPVSB-UHFFFAOYSA-N 0 0 364.405 2.787 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@H](CO)c2c(F)cccc2F)cc1F ZINC000265229913 509934278 /nfs/dbraw/zinc/93/42/78/509934278.db2.gz MTOSUZLGAYFVDJ-OAHLLOKOSA-N 0 0 367.371 2.703 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)cc1F ZINC000177272556 509972894 /nfs/dbraw/zinc/97/28/94/509972894.db2.gz YLSZBAMOENJGEV-UHFFFAOYSA-N 0 0 360.433 2.748 20 10 FFCDRN CC[C@H](C)CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000190232173 510016741 /nfs/dbraw/zinc/01/67/41/510016741.db2.gz XEBQSQDHYYXZSZ-AWEZNQCLSA-N 0 0 350.459 2.797 20 10 FFCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000180775151 510101927 /nfs/dbraw/zinc/10/19/27/510101927.db2.gz ZBJHNOUZOCZKNQ-DYLHUKMJSA-N 0 0 370.380 2.514 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCOCC3(CCOCC3)C2)c1O ZINC000184110840 510138866 /nfs/dbraw/zinc/13/88/66/510138866.db2.gz XHVWHFGBJDRPLN-UHFFFAOYSA-N 0 0 353.846 2.877 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)Nc2ccc(Cl)nc2)C2CC2)cc1 ZINC000265626864 510144897 /nfs/dbraw/zinc/14/48/97/510144897.db2.gz WARFMFYYDKRGGI-UHFFFAOYSA-N 0 0 372.856 2.931 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1C[S@@](C)=O ZINC000194005212 510171905 /nfs/dbraw/zinc/17/19/05/510171905.db2.gz DRVWIBBDWIZAOT-UOXLDJKESA-N 0 0 362.451 2.729 20 10 FFCDRN Cc1ccnc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000184181723 510178122 /nfs/dbraw/zinc/17/81/22/510178122.db2.gz DGZXXLDRYUVNCM-UHFFFAOYSA-N 0 0 358.417 2.812 20 10 FFCDRN CN1C(=O)Cc2cc(NC(=O)NCc3ccc4c(c3)CCCN4C)ccc21 ZINC000194043447 510190007 /nfs/dbraw/zinc/19/00/07/510190007.db2.gz RDRZUOMERWYXIE-UHFFFAOYSA-N 0 0 364.449 2.910 20 10 FFCDRN Cc1nnsc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000190543210 510195345 /nfs/dbraw/zinc/19/53/45/510195345.db2.gz MPDYQEHMLSUYJU-LLVKDONJSA-N 0 0 368.409 2.847 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@]3(C)C(C)C)cc2)CC1 ZINC000190583848 510222638 /nfs/dbraw/zinc/22/26/38/510222638.db2.gz UCGJYRMALVGAKM-TZIWHRDSSA-N 0 0 357.498 2.654 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3ccncc3)cc2F)C[C@H](C)O1 ZINC000265876891 510276520 /nfs/dbraw/zinc/27/65/20/510276520.db2.gz HWBQNJVTXWASLP-GJZGRUSLSA-N 0 0 357.429 2.693 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)cc1F ZINC000181176961 510292048 /nfs/dbraw/zinc/29/20/48/510292048.db2.gz YJSUVHHSNXDPDF-XVNBXDOJSA-N 0 0 372.396 2.608 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H](c1ccccc1)N1CCSCC1 ZINC000269216075 510295649 /nfs/dbraw/zinc/29/56/49/510295649.db2.gz PQOXLBVEKYJYFH-LJQANCHMSA-N 0 0 372.490 2.547 20 10 FFCDRN CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000177886652 510310891 /nfs/dbraw/zinc/31/08/91/510310891.db2.gz JWDKVKZECXHXML-UHFFFAOYSA-N 0 0 359.470 2.960 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000181238992 510317725 /nfs/dbraw/zinc/31/77/25/510317725.db2.gz NAPYAZXNUQLILU-MRXNPFEDSA-N 0 0 351.450 2.835 20 10 FFCDRN COCc1cccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000187532925 510317814 /nfs/dbraw/zinc/31/78/14/510317814.db2.gz UDCKIGBCHBWGKV-UHFFFAOYSA-N 0 0 368.477 2.871 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](C)C3CCOCC3)CC2)cc1 ZINC000177990033 510363653 /nfs/dbraw/zinc/36/36/53/510363653.db2.gz IJEHKOROPPHWKX-INIZCTEOSA-N 0 0 361.486 2.732 20 10 FFCDRN NC(=O)c1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)cc1F ZINC000171893781 510433514 /nfs/dbraw/zinc/43/35/14/510433514.db2.gz STECNYNFCVPAQY-UHFFFAOYSA-N 0 0 356.401 2.847 20 10 FFCDRN CCNC(=O)C(C)(C)CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000269511151 510441710 /nfs/dbraw/zinc/44/17/10/510441710.db2.gz PXROMPFZZUCLOA-UHFFFAOYSA-N 0 0 362.518 2.835 20 10 FFCDRN COc1cc(N(C)C[C@H](O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC ZINC000269675051 510507100 /nfs/dbraw/zinc/50/71/00/510507100.db2.gz WFZZKMVOQBIVMQ-HNNXBMFYSA-N 0 0 362.382 2.790 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2cccc3[nH]c(=O)oc32)C2CC2)cc1 ZINC000269703442 510519455 /nfs/dbraw/zinc/51/94/55/510519455.db2.gz NMBARWCDNONORC-UHFFFAOYSA-N 0 0 351.406 2.992 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2ccccc2-n2cccn2)c1 ZINC000172072940 510528734 /nfs/dbraw/zinc/52/87/34/510528734.db2.gz MMRSVXDNBJBCGH-UHFFFAOYSA-N 0 0 352.394 2.586 20 10 FFCDRN Cc1ncncc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266357767 510536849 /nfs/dbraw/zinc/53/68/49/510536849.db2.gz GUSJXVLJSZKARN-ZDUSSCGKSA-N 0 0 362.380 2.785 20 10 FFCDRN CCC1(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCOCC1 ZINC000266666811 510718140 /nfs/dbraw/zinc/71/81/40/510718140.db2.gz TYQIQDQBLSXOTH-VMPITWQZSA-N 0 0 358.482 2.859 20 10 FFCDRN COc1ccc(OCCCNC(=O)NCc2cccc(OC)c2O)cc1 ZINC000266684212 510727033 /nfs/dbraw/zinc/72/70/33/510727033.db2.gz DCRHJNQLFFKXDB-UHFFFAOYSA-N 0 0 360.410 2.678 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccnc1-n1cncn1 ZINC000175814689 510804070 /nfs/dbraw/zinc/80/40/70/510804070.db2.gz HGLHAQWSXAMEOH-UHFFFAOYSA-N 0 0 364.409 2.568 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc2c(c1)OCO2 ZINC000172592293 510810308 /nfs/dbraw/zinc/81/03/08/510810308.db2.gz FAJSXDVBBYDNQQ-UHFFFAOYSA-N 0 0 351.406 2.791 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(CO)c(F)c1 ZINC000172616775 510823614 /nfs/dbraw/zinc/82/36/14/510823614.db2.gz YPHPEGKXMDHLCW-UHFFFAOYSA-N 0 0 355.413 2.694 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C)c(O)c3O)CC2)cc1 ZINC000182310335 510847959 /nfs/dbraw/zinc/84/79/59/510847959.db2.gz BPSRZCJTSONHHX-UHFFFAOYSA-N 0 0 368.433 2.749 20 10 FFCDRN COc1ccncc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275776213 510917616 /nfs/dbraw/zinc/91/76/16/510917616.db2.gz VNLBKGIRFUUYCF-UHFFFAOYSA-N 0 0 370.453 2.532 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)ncn2C ZINC000275852263 510918792 /nfs/dbraw/zinc/91/87/92/510918792.db2.gz ICCTVGMWOGQFRF-UHFFFAOYSA-N 0 0 366.421 2.656 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ncnn3C)ccc21 ZINC000276511932 510940790 /nfs/dbraw/zinc/94/07/90/510940790.db2.gz VBCYSIHXHFPARE-ZDUSSCGKSA-N 0 0 355.442 2.524 20 10 FFCDRN CC1(C)C[C@H](NC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000277428098 510963401 /nfs/dbraw/zinc/96/34/01/510963401.db2.gz LQANWQAHMJAWOV-LLVKDONJSA-N 0 0 357.248 2.912 20 10 FFCDRN COc1ccc(N(Cc2nnnn2CC2CCOCC2)[C@H](C)C2CC2)cc1 ZINC000277751328 510971694 /nfs/dbraw/zinc/97/16/94/510971694.db2.gz POLRTUZRXJCKOL-OAHLLOKOSA-N 0 0 371.485 2.913 20 10 FFCDRN CCC(CC)c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000277831141 510973807 /nfs/dbraw/zinc/97/38/07/510973807.db2.gz IBFIXQLOBCRHLV-UHFFFAOYSA-N 0 0 372.469 2.873 20 10 FFCDRN C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000278152431 510983631 /nfs/dbraw/zinc/98/36/31/510983631.db2.gz AGNSBOLYHJJECE-NSHDSACASA-N 0 0 374.312 2.902 20 10 FFCDRN COC[C@@H](C)OC[C@@H](O)CN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000278215618 510985114 /nfs/dbraw/zinc/98/51/14/510985114.db2.gz DKSYCMRVFUCVFG-ZBFHGGJFSA-N 0 0 367.417 2.846 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278309734 510988241 /nfs/dbraw/zinc/98/82/41/510988241.db2.gz DVOHRAGTLPDWOI-NVXWUHKLSA-N 0 0 357.410 2.844 20 10 FFCDRN Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2)n(C)n1 ZINC000278446287 510994474 /nfs/dbraw/zinc/99/44/74/510994474.db2.gz KYQQZJZIDPMNHO-ZIAGYGMSSA-N 0 0 359.430 2.662 20 10 FFCDRN Cc1ccnc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000297569905 510994616 /nfs/dbraw/zinc/99/46/16/510994616.db2.gz SMOGCRFWYBYEJR-UHFFFAOYSA-N 0 0 354.454 2.568 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H](C)[C@@H](O)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278508280 510995434 /nfs/dbraw/zinc/99/54/34/510995434.db2.gz PFECGPAMJNOVPZ-ZUZCIYMTSA-N 0 0 350.346 2.660 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-] ZINC000278636810 511001575 /nfs/dbraw/zinc/00/15/75/511001575.db2.gz HIRIEKXOGLUKHB-LLVKDONJSA-N 0 0 360.366 2.931 20 10 FFCDRN COc1c(O)c(CNc2ccc3c(c2)N(C(N)=O)CCC3)ccc1[N+](=O)[O-] ZINC000278698885 511005010 /nfs/dbraw/zinc/00/50/10/511005010.db2.gz PAOKLEQVJQCQCB-UHFFFAOYSA-N 0 0 372.381 2.752 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H](S(C)(=O)=O)C1 ZINC000282512913 511008075 /nfs/dbraw/zinc/00/80/75/511008075.db2.gz OBQFRNCUEIBKGW-MRXNPFEDSA-N 0 0 360.479 2.662 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000278892409 511012897 /nfs/dbraw/zinc/01/28/97/511012897.db2.gz FELBAYZFAMYDAT-INIZCTEOSA-N 0 0 371.441 2.769 20 10 FFCDRN COc1c(O)c(CNc2ccc(C)c(C(=O)N(C)C)c2)ccc1[N+](=O)[O-] ZINC000278949008 511014358 /nfs/dbraw/zinc/01/43/58/511014358.db2.gz ZBTGATSKJHNXOT-UHFFFAOYSA-N 0 0 359.382 2.931 20 10 FFCDRN Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000278990360 511015967 /nfs/dbraw/zinc/01/59/67/511015967.db2.gz MSAFXJMZNCQTKZ-GOSISDBHSA-N 0 0 367.453 2.970 20 10 FFCDRN COc1cc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc(OC)c1O ZINC000278960900 511016205 /nfs/dbraw/zinc/01/62/05/511016205.db2.gz MKUHOXBUVGSCNW-UHFFFAOYSA-N 0 0 358.438 2.677 20 10 FFCDRN Cc1ccc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(=O)n1C ZINC000278998191 511016301 /nfs/dbraw/zinc/01/63/01/511016301.db2.gz KAUWVNYSYRGISH-UHFFFAOYSA-N 0 0 368.481 2.634 20 10 FFCDRN COCc1nn(C)cc1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000294311914 511023402 /nfs/dbraw/zinc/02/34/02/511023402.db2.gz HCRSBXDFACZQRW-UHFFFAOYSA-N 0 0 356.470 2.829 20 10 FFCDRN CC[C@@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc(Cl)c1[O-] ZINC000286976139 511037023 /nfs/dbraw/zinc/03/70/23/511037023.db2.gz ITBCCSQVRSTMEG-IAQYHMDHSA-N 0 0 362.861 2.644 20 10 FFCDRN CCc1nc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000286969759 511037636 /nfs/dbraw/zinc/03/76/36/511037636.db2.gz NTPFDAYVHIBSNJ-CYBMUJFWSA-N 0 0 374.510 2.607 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(F)cc(OC)c1 ZINC000287068693 511039764 /nfs/dbraw/zinc/03/97/64/511039764.db2.gz HUMWSESQNPLYDF-UHFFFAOYSA-N 0 0 374.412 2.595 20 10 FFCDRN C[C@H]1OCC[C@@]12CN(C(=O)NCc1ccc3c(c1)CCCN3C)C[C@@H](C)O2 ZINC000279311608 511040749 /nfs/dbraw/zinc/04/07/49/511040749.db2.gz OKACPBQHIHGDJX-WHSLLNHNSA-N 0 0 373.497 2.547 20 10 FFCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287318552 511046975 /nfs/dbraw/zinc/04/69/75/511046975.db2.gz DCKFYUPUDYNCKQ-FLFBIERCSA-N 0 0 353.466 2.628 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc2n(n1)CCCC2 ZINC000287511982 511051610 /nfs/dbraw/zinc/05/16/10/511051610.db2.gz YVNGIAZKLJTTJR-UHFFFAOYSA-N 0 0 369.469 2.720 20 10 FFCDRN CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC)CC1)c1cccc(Cl)c1[O-] ZINC000287556573 511052845 /nfs/dbraw/zinc/05/28/45/511052845.db2.gz FYTBBDGALLMYKG-OAHLLOKOSA-N 0 0 360.907 2.900 20 10 FFCDRN CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cccc(Cl)c1[O-] ZINC000287592337 511052898 /nfs/dbraw/zinc/05/28/98/511052898.db2.gz ICUFSDJINLTEOV-SMDDNHRTSA-N 0 0 350.850 2.839 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3COCCO3)cc2Cl)C1 ZINC000282643143 511057632 /nfs/dbraw/zinc/05/76/32/511057632.db2.gz LLYPQDCCBNKIDS-GUYCJALGSA-N 0 0 352.862 2.608 20 10 FFCDRN COC(=O)C12CCC(C(=O)N3CCOc4cc(N(C)C)ccc43)(CC1)CC2 ZINC000297757871 511059013 /nfs/dbraw/zinc/05/90/13/511059013.db2.gz PEYJQGZNTXPKEG-UHFFFAOYSA-N 0 0 372.465 2.992 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000288082400 511063727 /nfs/dbraw/zinc/06/37/27/511063727.db2.gz GYCMHQUASCZZEI-KRWDZBQOSA-N 0 0 374.506 2.957 20 10 FFCDRN CCOc1ccc(O)c(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1 ZINC000271034118 511064775 /nfs/dbraw/zinc/06/47/75/511064775.db2.gz JLAUSBKYNWCVJR-KRWDZBQOSA-N 0 0 359.422 2.857 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1c1cccnc1 ZINC000364786627 511081982 /nfs/dbraw/zinc/08/19/82/511081982.db2.gz ISCWKAMIRRKGEI-LEWJYISDSA-N 0 0 365.477 2.710 20 10 FFCDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000288928967 511088994 /nfs/dbraw/zinc/08/89/94/511088994.db2.gz QJZTXOXGKPYDCZ-UHFFFAOYSA-N 0 0 363.393 2.594 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@]3(CNC(=O)C3)C2)c(C)n1-c1ccccc1C ZINC000279500394 511106538 /nfs/dbraw/zinc/10/65/38/511106538.db2.gz JPIYWPURDQVQHN-OAQYLSRUSA-N 0 0 351.450 2.755 20 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ZINC000283525082 511400045 /nfs/dbraw/zinc/40/00/45/511400045.db2.gz QXAQBUJCBVKVEQ-UHFFFAOYSA-N 0 0 370.453 2.770 20 10 FFCDRN COC1CCN(c2ccc(C[N@@H+]3CCO[C@@]4(CCCOC4)C3)cc2)CC1 ZINC000295428071 511401620 /nfs/dbraw/zinc/40/16/20/511401620.db2.gz YUXCWOHDSRHFIA-NRFANRHFSA-N 0 0 360.498 2.683 20 10 FFCDRN CCN(CC(=O)Nc1ccccc1OC)Cc1cc2c(cc1O)OCO2 ZINC000298790876 511412410 /nfs/dbraw/zinc/41/24/10/511412410.db2.gz IWQCKJUQXVXZOX-UHFFFAOYSA-N 0 0 358.394 2.590 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3ccnn3C)cc2F)C[C@@H](C)O1 ZINC000298865881 511436174 /nfs/dbraw/zinc/43/61/74/511436174.db2.gz QUWLFUHCTBGFRW-IPKOWEFYSA-N 0 0 372.444 2.502 20 10 FFCDRN C[C@@H](C(=O)NCCc1ccc(O)c(O)c1)N(C(=O)OC(C)(C)C)C1CC1 ZINC000295556801 511444569 /nfs/dbraw/zinc/44/45/69/511444569.db2.gz VDWCDRXWADOCCC-LBPRGKRZSA-N 0 0 364.442 2.545 20 10 FFCDRN CCCNc1ccc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000283640407 511445289 /nfs/dbraw/zinc/44/52/89/511445289.db2.gz XEOXEUILCUPPSN-UHFFFAOYSA-N 0 0 368.481 2.507 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)c(C)n1-c1ccccn1 ZINC000280435178 511464669 /nfs/dbraw/zinc/46/46/69/511464669.db2.gz HAIBSJDETNJNGG-QRWLVFNGSA-N 0 0 355.438 2.509 20 10 FFCDRN CC(C)Oc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1C(N)=O ZINC000280440571 511466480 /nfs/dbraw/zinc/46/64/80/511466480.db2.gz FZEKEBYUGWBVFU-UHFFFAOYSA-N 0 0 357.410 2.942 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H](CNC(N)=O)C2)c(C)n1-c1ccccc1C ZINC000298974805 511471277 /nfs/dbraw/zinc/47/12/77/511471277.db2.gz GPDLKPJIQMQRCF-KRWDZBQOSA-N 0 0 368.481 2.923 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCCCO3)cc2F)C[C@H](C)O1 ZINC000283781116 511497680 /nfs/dbraw/zinc/49/76/80/511497680.db2.gz REMFDFFMJDBTRT-OKILXGFUSA-N 0 0 351.422 2.676 20 10 FFCDRN Cc1ccncc1/C=C/C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 ZINC000272902781 511512036 /nfs/dbraw/zinc/51/20/36/511512036.db2.gz DGVHQLBHDCMXBZ-VMPITWQZSA-N 0 0 356.447 2.786 20 10 FFCDRN COC[C@@H](CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OC ZINC000273035126 511514673 /nfs/dbraw/zinc/51/46/73/511514673.db2.gz YPAVXEGPCFYYON-DUPNKOKHSA-N 0 0 370.409 2.818 20 10 FFCDRN CC(C)NC(=O)Nc1cccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273132057 511517473 /nfs/dbraw/zinc/51/74/73/511517473.db2.gz BUMCOWZCRMMWPG-CYBMUJFWSA-N 0 0 371.437 2.989 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCCN(C)C(=O)OC(C)(C)C ZINC000273200914 511520600 /nfs/dbraw/zinc/52/06/00/511520600.db2.gz RMHMHJUZDITCOM-ZDUSSCGKSA-N 0 0 366.458 2.792 20 10 FFCDRN COC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000299118021 511522097 /nfs/dbraw/zinc/52/20/97/511522097.db2.gz ZLKUVZFRVSZRTQ-UHFFFAOYSA-N 0 0 355.438 2.985 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CC(=O)N(Cc2ccccc2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273343574 511523601 /nfs/dbraw/zinc/52/36/01/511523601.db2.gz AAFKFIJTKSPWNL-HOCLYGCPSA-N 0 0 369.421 3.000 20 10 FFCDRN CC(C)NC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000280594819 511524376 /nfs/dbraw/zinc/52/43/76/511524376.db2.gz QPQNHEFASQKXPH-CYBMUJFWSA-N 0 0 371.437 2.989 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464400 511527420 /nfs/dbraw/zinc/52/74/20/511527420.db2.gz IOVBNAYGSIFJDL-SUMWQHHRSA-N 0 0 355.394 2.752 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc3c(c2)N(C)C(=O)CO3)c1 ZINC000273479990 511527927 /nfs/dbraw/zinc/52/79/27/511527927.db2.gz LUKZJUDPRPKBJQ-NSHDSACASA-N 0 0 356.378 2.707 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](O)CCc1ccccc1 ZINC000273563940 511535971 /nfs/dbraw/zinc/53/59/71/511535971.db2.gz NMBZQHOZBAFCRX-NRFANRHFSA-N 0 0 365.477 2.856 20 10 FFCDRN COc1ccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000283895222 511537207 /nfs/dbraw/zinc/53/72/07/511537207.db2.gz CJZUXVDKCDFQAC-HNNXBMFYSA-N 0 0 369.465 2.597 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)[C@@]12CCCO2 ZINC000273705866 511580919 /nfs/dbraw/zinc/58/09/19/511580919.db2.gz PHPUKRVMQYNQNZ-NSHGMRRFSA-N 0 0 361.486 2.621 20 10 FFCDRN CCOc1ccc(N(CC)CC(=O)NC2CCC3(CC2)OCCO3)cc1 ZINC000299342128 511599116 /nfs/dbraw/zinc/59/91/16/511599116.db2.gz AKYOPCBXGDQBKU-UHFFFAOYSA-N 0 0 362.470 2.714 20 10 FFCDRN CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@]2(CCOC2)O1 ZINC000280803414 511607545 /nfs/dbraw/zinc/60/75/45/511607545.db2.gz HLYNWNUXHYCIKL-OAQYLSRUSA-N 0 0 371.481 2.542 20 10 FFCDRN Cc1cc(Cn2cc(Br)c(=O)c([N+](=O)[O-])c2)ccc1N(C)C ZINC000292546788 511637267 /nfs/dbraw/zinc/63/72/67/511637267.db2.gz BQNYGVOEPMFXBZ-UHFFFAOYSA-N 0 0 366.215 2.942 20 10 FFCDRN CO[C@@](C)(C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000292569099 511645856 /nfs/dbraw/zinc/64/58/56/511645856.db2.gz KFHLTGLXJIFTOS-LAPQFRIASA-N 0 0 364.461 2.871 20 10 FFCDRN O=C(NCc1ccccc1O)Nc1cccc(OCC(=O)N2CCCC2)c1 ZINC000299494898 511659153 /nfs/dbraw/zinc/65/91/53/511659153.db2.gz KMJQFJHISAOOOJ-UHFFFAOYSA-N 0 0 369.421 2.715 20 10 FFCDRN O=C(NCc1ccnc(OCC(F)(F)F)c1)NCc1ccccc1O ZINC000299510713 511661017 /nfs/dbraw/zinc/66/10/17/511661017.db2.gz NTSSKVXUQSNWLC-UHFFFAOYSA-N 0 0 355.316 2.728 20 10 FFCDRN C[C@H](c1cccnc1)N(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284286874 511668460 /nfs/dbraw/zinc/66/84/60/511668460.db2.gz UCQLTIODRRAILL-MRXNPFEDSA-N 0 0 366.465 2.518 20 10 FFCDRN C[C@@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C[C@H](c2ccccc2)O1 ZINC000301609228 511698440 /nfs/dbraw/zinc/69/84/40/511698440.db2.gz AXFGTZXVYHNSDW-KZULUSFZSA-N 0 0 369.377 2.892 20 10 FFCDRN CC(C)C[C@]1(C)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000296320137 511698561 /nfs/dbraw/zinc/69/85/61/511698561.db2.gz SUECASWEYRVUHN-KRWDZBQOSA-N 0 0 354.472 2.805 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCN(c3ccc(O)cc3)CC2)cc1OC ZINC000301947807 511702903 /nfs/dbraw/zinc/70/29/03/511702903.db2.gz YGPKZKDYKYFIRX-UHFFFAOYSA-N 0 0 359.382 2.644 20 10 FFCDRN CCC(CC)NC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000274060633 511707679 /nfs/dbraw/zinc/70/76/79/511707679.db2.gz VHSOBAQWKAZDSZ-UHFFFAOYSA-N 0 0 365.474 2.733 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H](O)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000292756030 511708959 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COc1cc2c(cc1NC(=O)N(C)Cc1ccccc1O)NC(=O)CC2 ZINC000274433921 511833363 /nfs/dbraw/zinc/83/33/63/511833363.db2.gz IMNWMJXRUIQAHE-UHFFFAOYSA-N 0 0 355.394 2.949 20 10 FFCDRN CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000296641012 511833352 /nfs/dbraw/zinc/83/33/52/511833352.db2.gz YCHOVOOLMTUUNR-BZQUYTCOSA-N 0 0 371.474 2.759 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)c3c[nH]nc3C3CC3)cc2F)C[C@H](C)O1 ZINC000274561681 511874859 /nfs/dbraw/zinc/87/48/59/511874859.db2.gz ZJUOHMVHAKWPBI-STQMWFEESA-N 0 0 372.444 2.970 20 10 FFCDRN Cc1nnc([C@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)[nH]1 ZINC000274871344 511971723 /nfs/dbraw/zinc/97/17/23/511971723.db2.gz STVOIVFRNNWIAO-KRWDZBQOSA-N 0 0 368.485 2.803 20 10 FFCDRN O=C(NC[C@@H]1CCCO1)Nc1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000274877442 511974041 /nfs/dbraw/zinc/97/40/41/511974041.db2.gz HGBYUEOHXPSWMY-AWEZNQCLSA-N 0 0 371.393 2.651 20 10 FFCDRN CC[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C ZINC000297007105 511985090 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O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)c1[O-] ZINC000293744873 512070630 /nfs/dbraw/zinc/07/06/30/512070630.db2.gz WDSNDQCLBYXGCB-MRXNPFEDSA-N 0 0 370.833 2.611 20 10 FFCDRN COC(=O)C(C)(C)c1csc(NC(=O)c2ccc(C)c(O)c2O)n1 ZINC000293799297 512087425 /nfs/dbraw/zinc/08/74/25/512087425.db2.gz PJZHPXLEXIJYIU-UHFFFAOYSA-N 0 0 350.396 2.566 20 10 FFCDRN O=S1(=O)CCCN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CC1 ZINC000367383245 512472842 /nfs/dbraw/zinc/47/28/42/512472842.db2.gz BZJPRCRWBLSZNJ-UHFFFAOYSA-N 0 0 370.518 2.870 20 10 FFCDRN O=C(C[C@@H]1CCOC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000369575600 512488709 /nfs/dbraw/zinc/48/87/09/512488709.db2.gz ZNVJMWHQOZQTNT-ZDUSSCGKSA-N 0 0 354.397 2.800 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(cn1)OCCC2 ZINC000371704397 512536227 /nfs/dbraw/zinc/53/62/27/512536227.db2.gz VXKXGAHPSKEWOX-UHFFFAOYSA-N 0 0 367.449 2.515 20 10 FFCDRN CN(C[C@@H]1C[C@H](F)CN1C(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C ZINC000375864627 512543323 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COc1ccc(N(C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)C(C)C)cc1F ZINC000821828084 606923457 /nfs/dbraw/zinc/92/34/57/606923457.db2.gz PQWKAOFZPIQXJU-KRWDZBQOSA-N 0 0 371.416 2.963 20 10 FFCDRN Cc1cc(C(=O)Cn2ccnc2-c2nn[nH]n2)c(C)n1-c1ccccc1C ZINC000826305356 608013645 /nfs/dbraw/zinc/01/36/45/608013645.db2.gz TWTGRPVUBFBBGL-UHFFFAOYSA-N 0 0 361.409 2.662 20 10 FFCDRN COc1ccc(O)c([C@H](C)Nc2snc(Cl)c2-c2nn[nH]n2)c1 ZINC000826210322 608182541 /nfs/dbraw/zinc/18/25/41/608182541.db2.gz MUFAIVFNZCRCAH-LURJTMIESA-N 0 0 352.807 2.864 20 10 FFCDRN Cc1ccc(-c2nn[nH]n2)nc1NCc1ccc(N2CCSCC2)cc1 ZINC000826280590 608544631 /nfs/dbraw/zinc/54/46/31/608544631.db2.gz IAKYQKMROWMAHV-UHFFFAOYSA-N 0 0 367.482 2.735 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CCSCC1 ZINC000152363947 728757000 /nfs/dbraw/zinc/75/70/00/728757000.db2.gz CUZVFVJVYMYJBE-KRWDZBQOSA-N 0 0 361.555 2.976 20 10 FFCDRN CCOC(=O)N[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1 ZINC000153951493 728792214 /nfs/dbraw/zinc/79/22/14/728792214.db2.gz 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CCCNC(=O)NC(=O)CN1CCCc2cc(OC(F)(F)F)ccc21 ZINC000029923101 727898767 /nfs/dbraw/zinc/89/87/67/727898767.db2.gz SUYCRZOIEWQAOY-UHFFFAOYSA-N 0 0 359.348 2.574 20 10 FFCDRN Nc1ccc(NC(=O)COc2ccc(I)cc2)cc1 ZINC000037325456 727932595 /nfs/dbraw/zinc/93/25/95/727932595.db2.gz QMIQTTXRQAWACW-UHFFFAOYSA-N 0 0 368.174 2.891 20 10 FFCDRN O=S(=O)(/C=C/c1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000053697536 728083137 /nfs/dbraw/zinc/08/31/37/728083137.db2.gz JGWMPHHTFHPYPG-XNTDXEJSSA-N 0 0 358.463 2.614 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1cscn1)c1ccc(N2CCOCC2)cc1 ZINC000065433832 728156920 /nfs/dbraw/zinc/15/69/20/728156920.db2.gz JGHKXBLAIUZJKT-CQSZACIVSA-N 0 0 360.483 2.882 20 10 FFCDRN Cn1ncc(C(=O)NCc2ccc3c(c2)CCCN3C)c1C(F)(F)F ZINC000746814268 735510646 /nfs/dbraw/zinc/51/06/46/735510646.db2.gz KFWKWSFSDWZBIX-UHFFFAOYSA-N 0 0 352.360 2.751 20 10 FFCDRN CCC[C@H](C)NC(=O)[C@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866401 728426541 /nfs/dbraw/zinc/42/65/41/728426541.db2.gz DBFCMIDQKSMUFB-GJZGRUSLSA-N 0 0 351.466 2.650 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@H+](CCO)CCOCC(F)(F)F ZINC000093320036 728475355 /nfs/dbraw/zinc/47/53/55/728475355.db2.gz RCPYELRZYJICMF-UHFFFAOYSA-N 0 0 372.181 2.528 20 10 FFCDRN Cc1cc(C(=O)Nc2nn[nH]n2)c(C)n1-c1cccc(Br)c1 ZINC000102895231 728493292 /nfs/dbraw/zinc/49/32/92/728493292.db2.gz TYKNMNLNHPZKEL-UHFFFAOYSA-N 0 0 361.203 2.622 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000108276893 728520657 /nfs/dbraw/zinc/52/06/57/728520657.db2.gz ORZJAHACTHUYMS-UHFFFAOYSA-N 0 0 350.871 2.952 20 10 FFCDRN COc1ccc(N(CCCS(=O)(=O)N(C)C)Cc2ccccc2)cc1 ZINC000111091925 728534225 /nfs/dbraw/zinc/53/42/25/728534225.db2.gz GLSSSUJAEQPBCQ-UHFFFAOYSA-N 0 0 362.495 2.983 20 10 FFCDRN CC[C@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](C)O1 ZINC000111471972 728536369 /nfs/dbraw/zinc/53/63/69/728536369.db2.gz NSNYIYSTQQBJRK-YJBOKZPZSA-N 0 0 363.527 2.949 20 10 FFCDRN COc1cccc(CS(=O)(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000117914202 728579848 /nfs/dbraw/zinc/57/98/48/728579848.db2.gz RBSOIVJTKAJYLN-UHFFFAOYSA-N 0 0 360.479 2.697 20 10 FFCDRN CCOc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000120019063 728604197 /nfs/dbraw/zinc/60/41/97/728604197.db2.gz YASPYUBDIIWXNT-UHFFFAOYSA-N 0 0 352.431 2.769 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000121813947 728639743 /nfs/dbraw/zinc/63/97/43/728639743.db2.gz XNOQKUMGDJRHIM-INIZCTEOSA-N 0 0 360.479 2.662 20 10 FFCDRN COc1ccc(N(C)CC(=O)N2CC(=O)Nc3ccccc32)cc1Cl ZINC000121906348 728641705 /nfs/dbraw/zinc/64/17/05/728641705.db2.gz HOZWZJMSJKHXKH-UHFFFAOYSA-N 0 0 359.813 2.770 20 10 FFCDRN CC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCO1 ZINC000123018961 728654221 /nfs/dbraw/zinc/65/42/21/728654221.db2.gz SUNONQCNNIRQSP-ZWKOTPCHSA-N 0 0 363.527 2.997 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1ccccc1F)c1ccc(N2CCOCC2)cc1 ZINC000123213784 728656548 /nfs/dbraw/zinc/65/65/48/728656548.db2.gz WMLRVCIRNQTVQP-CQSZACIVSA-N 0 0 364.442 2.702 20 10 FFCDRN C[C@H](NC(=O)NCCCSc1nccs1)[C@@H](O)Cc1ccccc1 ZINC000123671832 728661295 /nfs/dbraw/zinc/66/12/95/728661295.db2.gz GUIDTBMYNPVPAM-ZFWWWQNUSA-N 0 0 365.524 2.917 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc(Cl)n1 ZINC000130196423 728715795 /nfs/dbraw/zinc/71/57/95/728715795.db2.gz WLWUUTKRYOGQRW-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2nnc(CC(C)C)s2)c(OC)c1 ZINC000131875928 728723146 /nfs/dbraw/zinc/72/31/46/728723146.db2.gz KPAYEOOMRFLSJO-UHFFFAOYSA-N 0 0 364.471 2.829 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3scnc3c2)cc1 ZINC000171263369 729001212 /nfs/dbraw/zinc/00/12/12/729001212.db2.gz MUSRUGHHISVSSJ-UHFFFAOYSA-N 0 0 354.435 2.617 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCCNC(=O)c1cccs1 ZINC000171781145 729012967 /nfs/dbraw/zinc/01/29/67/729012967.db2.gz WQLQOBSYNVYSEN-UHFFFAOYSA-N 0 0 361.467 2.805 20 10 FFCDRN COC(=O)CN(Cc1cccc(OC)n1)Cc1cc(Cl)ccc1O ZINC000172537068 729027663 /nfs/dbraw/zinc/02/76/63/729027663.db2.gz CUCDOLIUYMOWAW-UHFFFAOYSA-N 0 0 350.802 2.624 20 10 FFCDRN Cc1nccn1C[C@@H](C)CNC(=O)NCCCSc1nccs1 ZINC000177807850 729146748 /nfs/dbraw/zinc/14/67/48/729146748.db2.gz MCABQSCVMYBOHS-LBPRGKRZSA-N 0 0 353.517 2.766 20 10 FFCDRN C[C@](O)(CNC(=O)NCCCSc1nccs1)c1ccc(F)cc1 ZINC000179266589 729182219 /nfs/dbraw/zinc/18/22/19/729182219.db2.gz JLGOCZOAYBUQSV-INIZCTEOSA-N 0 0 369.487 2.971 20 10 FFCDRN Cc1nc(Br)ccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000181312140 729241738 /nfs/dbraw/zinc/24/17/38/729241738.db2.gz JPPZTUXRAHESRO-UHFFFAOYSA-N 0 0 366.215 2.928 20 10 FFCDRN Cc1noc(C)c1CSCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000183416162 729303830 /nfs/dbraw/zinc/30/38/30/729303830.db2.gz KVMVGESVHJUJEU-SNVBAGLBSA-N 0 0 350.440 2.683 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2nc(-c3cccs3)no2)cc1 ZINC000183805874 729313853 /nfs/dbraw/zinc/31/38/53/729313853.db2.gz QTBPFKBQAMLZIR-UHFFFAOYSA-N 0 0 359.407 2.986 20 10 FFCDRN Cc1cnn(-c2ccc(S(=O)(=O)Nc3ccc(O)cc3F)cc2F)c1 ZINC000184615250 729329776 /nfs/dbraw/zinc/32/97/76/729329776.db2.gz JUCJUOYNIDPNOG-UHFFFAOYSA-N 0 0 365.361 2.965 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cscc3C)cc2)CC1 ZINC000188120563 729384616 /nfs/dbraw/zinc/38/46/16/729384616.db2.gz YGUOFRSZOLBUGR-UHFFFAOYSA-N 0 0 357.479 2.655 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cn2ccnc2s1 ZINC000190733029 729410580 /nfs/dbraw/zinc/41/05/80/729410580.db2.gz IHXFOYJXYMMRGZ-UHFFFAOYSA-N 0 0 358.492 2.879 20 10 FFCDRN C[C@@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)CCS(=O)(=O)C1 ZINC000191369541 729416226 /nfs/dbraw/zinc/41/62/26/729416226.db2.gz CFFMWLLIVCZKBJ-CYBMUJFWSA-N 0 0 363.479 2.884 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1csc(C2CC2)n1 ZINC000194824528 729521691 /nfs/dbraw/zinc/52/16/91/729521691.db2.gz NSKMDTVOXVKPQZ-UHFFFAOYSA-N 0 0 361.442 2.926 20 10 FFCDRN COc1c(C)cc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cc1C ZINC000195737167 729541292 /nfs/dbraw/zinc/54/12/92/729541292.db2.gz GEHKAJMONSPDNK-UHFFFAOYSA-N 0 0 366.458 2.996 20 10 FFCDRN Nc1ccc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1 ZINC000238083445 729566586 /nfs/dbraw/zinc/56/65/86/729566586.db2.gz MPVBCAYFSNCQIO-UHFFFAOYSA-N 0 0 353.403 2.569 20 10 FFCDRN O=C(C[C@H]1CCCO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246977739 729592734 /nfs/dbraw/zinc/59/27/34/729592734.db2.gz QZDWQPILGNWURD-CZUORRHYSA-N 0 0 354.397 2.942 20 10 FFCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000779028342 738431005 /nfs/dbraw/zinc/43/10/05/738431005.db2.gz HFFXNQPYMBQTGY-MLGOLLRUSA-N 0 0 354.422 2.645 20 10 FFCDRN CCc1nc(C)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000856211069 730316139 /nfs/dbraw/zinc/31/61/39/730316139.db2.gz YHVJFFVJRBPCDA-UHFFFAOYSA-N 0 0 359.495 2.905 20 10 FFCDRN Cn1nccc1[C@H](O)C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000857062683 730376953 /nfs/dbraw/zinc/37/69/53/730376953.db2.gz NGOWMFMETZPUSU-QGZVFWFLSA-N 0 0 353.825 2.864 20 10 FFCDRN CS(=O)(=O)Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000857547520 730399256 /nfs/dbraw/zinc/39/92/56/730399256.db2.gz IFLOZQSCEHABGZ-UHFFFAOYSA-N 0 0 353.827 2.520 20 10 FFCDRN O=C(NCC[C@H]1CCCOC1)NCc1ccc(N2CCSCC2)cc1 ZINC000858154693 730417997 /nfs/dbraw/zinc/41/79/97/730417997.db2.gz PFDQMOKOOFDGDQ-QGZVFWFLSA-N 0 0 363.527 2.856 20 10 FFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@H]1CN(Cc2ccncc2)CCO1 ZINC000858305957 730422339 /nfs/dbraw/zinc/42/23/39/730422339.db2.gz FTDPJNGMDSGQIN-AWEZNQCLSA-N 0 0 365.836 2.570 20 10 FFCDRN C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000858468958 730426491 /nfs/dbraw/zinc/42/64/91/730426491.db2.gz NWENTBRTRGPVIC-GWCFXTLKSA-N 0 0 360.285 2.689 20 10 FFCDRN CC[C@H](CNC(=O)NCc1cc(C)ccc1O)NC(=O)OC(C)(C)C ZINC000858506776 730427599 /nfs/dbraw/zinc/42/75/99/730427599.db2.gz IWUQUUXSZPNSHO-CQSZACIVSA-N 0 0 351.447 2.803 20 10 FFCDRN CCC(F)(F)C(C)(C)CS(=O)(=O)NCc1cc(OC)ccc1O ZINC000859008112 730439390 /nfs/dbraw/zinc/43/93/90/730439390.db2.gz HLGBNHLHSJWRAH-UHFFFAOYSA-N 0 0 351.415 2.892 20 10 FFCDRN CCCN(CC(F)(F)F)C(=O)CN1CCOc2cc(N(C)C)ccc21 ZINC000859216860 730445806 /nfs/dbraw/zinc/44/58/06/730445806.db2.gz GWTZRKNQJPOHGA-UHFFFAOYSA-N 0 0 359.392 2.752 20 10 FFCDRN CS[C@@H](CO)[C@H](C)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000860162391 730482702 /nfs/dbraw/zinc/48/27/02/730482702.db2.gz NSDYWEAFXKDZHP-UGSOOPFHSA-N 0 0 360.479 2.749 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@@H](C)[S@](C)=O ZINC000860202971 730487187 /nfs/dbraw/zinc/48/71/87/730487187.db2.gz UBWARNQWMBWECX-PWECECGKSA-N 0 0 360.479 2.794 20 10 FFCDRN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cccc(OC)c1O ZINC000860241503 730493229 /nfs/dbraw/zinc/49/32/29/730493229.db2.gz SCQNXXKUSIYKFN-LBPRGKRZSA-N 0 0 352.431 2.663 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ocnc1C(F)F ZINC000860605181 730529543 /nfs/dbraw/zinc/52/95/43/730529543.db2.gz BUZZUGGZSBYNPT-UHFFFAOYSA-N 0 0 374.727 2.787 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cc(C2CC2)no1 ZINC000925117920 738479646 /nfs/dbraw/zinc/47/96/46/738479646.db2.gz IVEOBEBGFSBLLH-UHFFFAOYSA-N 0 0 361.785 2.875 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)Nc1cnn(CCF)c1 ZINC000861489698 730617204 /nfs/dbraw/zinc/61/72/04/730617204.db2.gz IQHVFOAPFNCOEW-UHFFFAOYSA-N 0 0 363.462 2.728 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCCC[C@H]2CCS(C)(=O)=O)cc1F ZINC000862374472 730693894 /nfs/dbraw/zinc/69/38/94/730693894.db2.gz LUAPNHYEXJRSBE-AWEZNQCLSA-N 0 0 360.470 2.820 20 10 FFCDRN CSCC[C@H](NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)C(N)=O ZINC000862715211 730721248 /nfs/dbraw/zinc/72/12/48/730721248.db2.gz SPGRXHLHKCMDIJ-INIZCTEOSA-N 0 0 363.458 2.570 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)c1 ZINC000862757465 730723661 /nfs/dbraw/zinc/72/36/61/730723661.db2.gz VGZDOQXLKOKZDW-CYBMUJFWSA-N 0 0 352.456 2.627 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CSCN2C(=O)CC(C)(C)C)c1 ZINC000862759272 730724009 /nfs/dbraw/zinc/72/40/09/730724009.db2.gz ZWLCBZVHOHIUFH-CQSZACIVSA-N 0 0 350.484 2.655 20 10 FFCDRN CCN1C(=O)N[C@H](c2cc(F)c(N(C)C)cc2F)C(C(=O)OC)=C1C ZINC000863387869 730774990 /nfs/dbraw/zinc/77/49/90/730774990.db2.gz NHPVJWNCENDAQZ-OAHLLOKOSA-N 0 0 353.369 2.564 20 10 FFCDRN Cc1cc(CN2C(=O)[C@@H]3CSCCN3C2=O)c(C)n1-c1ccccc1 ZINC000863533516 730789454 /nfs/dbraw/zinc/78/94/54/730789454.db2.gz QRPPEGJWBLJOGL-KRWDZBQOSA-N 0 0 355.463 2.974 20 10 FFCDRN C[C@@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCCCO1 ZINC000925260168 738493426 /nfs/dbraw/zinc/49/34/26/738493426.db2.gz ZRJQHLJUVZRUOG-KRWDZBQOSA-N 0 0 352.818 2.769 20 10 FFCDRN CC(C)(C)Oc1cccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)c1 ZINC000864357033 730841299 /nfs/dbraw/zinc/84/12/99/730841299.db2.gz UKNYSCOTXQLCAW-XYOKQWHBSA-N 0 0 350.465 2.550 20 10 FFCDRN C[C@@H](NC(=O)c1cnn(C(F)F)c1)c1ccc(N2CCOCC2)cc1 ZINC000865018473 730903244 /nfs/dbraw/zinc/90/32/44/730903244.db2.gz LLDCVPBHXXQOGC-GFCCVEGCSA-N 0 0 350.369 2.606 20 10 FFCDRN Cc1cc(CNC(=S)N(Cc2ccccc2O)C[C@H]2CCCO2)no1 ZINC000865226923 730925400 /nfs/dbraw/zinc/92/54/00/730925400.db2.gz GPFMOIRTCBVFOU-MRXNPFEDSA-N 0 0 361.467 2.744 20 10 FFCDRN C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Br)c(F)cc1[O-] ZINC000866496014 731067207 /nfs/dbraw/zinc/06/72/07/731067207.db2.gz LDOCLLXXUJTUTA-SECBINFHSA-N 0 0 367.222 2.623 20 10 FFCDRN O=S(=O)(NCc1ccc(N2CCOCC2)cc1)c1ccc(C(F)F)o1 ZINC000866583477 731077050 /nfs/dbraw/zinc/07/70/50/731077050.db2.gz QQPSUCUZTUOKMS-UHFFFAOYSA-N 0 0 372.393 2.532 20 10 FFCDRN C[C@@H](NC(=O)N1C[C@@H](CO)[C@H](C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000868515078 731299831 /nfs/dbraw/zinc/29/98/31/731299831.db2.gz IJEZGRNHMCKHCZ-OSAQELSMSA-N 0 0 359.392 2.626 20 10 FFCDRN COc1ccc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)cn1 ZINC000780143519 738521947 /nfs/dbraw/zinc/52/19/47/738521947.db2.gz NXBWCJYPSFWWJD-ZROIWOOFSA-N 0 0 357.460 2.929 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(Cl)o3)CC2)c(OC)c1 ZINC000870163295 731477410 /nfs/dbraw/zinc/47/74/10/731477410.db2.gz WYHRJDXRIHSBHV-UHFFFAOYSA-N 0 0 350.802 2.913 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(C=O)s3)CC2)c(OC)c1 ZINC000870165894 731478392 /nfs/dbraw/zinc/47/83/92/731478392.db2.gz CMGJGEKCLJPXMT-UHFFFAOYSA-N 0 0 360.435 2.540 20 10 FFCDRN C[C@](CO)(Cc1ccc(Br)cc1)NC(=O)C1=CC(=O)CS1 ZINC000870947178 731579728 /nfs/dbraw/zinc/57/97/28/731579728.db2.gz 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FFCDRN COC(=O)CN(Cc1nccn1CC(F)F)Cc1cc(Cl)ccc1O ZINC000878242980 732503360 /nfs/dbraw/zinc/50/33/60/732503360.db2.gz TWSNDGXEUJZWHN-UHFFFAOYSA-N 0 0 373.787 2.682 20 10 FFCDRN COC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCC1 ZINC000781651456 738645896 /nfs/dbraw/zinc/64/58/96/738645896.db2.gz NADLJBNIWGOXPG-CYBMUJFWSA-N 0 0 354.397 2.942 20 10 FFCDRN C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1cc(Br)ccc1O ZINC000879965207 732810817 /nfs/dbraw/zinc/81/08/17/732810817.db2.gz AJIVFFPNTIZOJZ-PSLIRLAXSA-N 0 0 364.243 2.860 20 10 FFCDRN Cn1cc(Cl)c(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000881184025 733023338 /nfs/dbraw/zinc/02/33/38/733023338.db2.gz KDBZWYRPWARROW-CYBMUJFWSA-N 0 0 364.833 2.992 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1CCOC[C@@H]1C ZINC000881801687 733111338 /nfs/dbraw/zinc/11/13/38/733111338.db2.gz BDYSFUPGMZMKDS-MAUKXSAKSA-N 0 0 354.516 2.718 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)C[C@@]3(C)CC3(F)F)CC2)cc1 ZINC000881803553 733111736 /nfs/dbraw/zinc/11/17/36/733111736.db2.gz 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352.843 2.934 20 10 FFCDRN CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890759434 734336733 /nfs/dbraw/zinc/33/67/33/734336733.db2.gz BNXPJHHZRSFZAX-AWEZNQCLSA-N 0 0 367.877 2.739 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc3scnc3c2)c1 ZINC000725901713 734398228 /nfs/dbraw/zinc/39/82/28/734398228.db2.gz UKGISCJCDBZPMO-UHFFFAOYSA-N 0 0 363.420 2.626 20 10 FFCDRN S=C(NCCc1ccccn1)NCc1ccc(N2CCSCC2)cc1 ZINC000726127228 734409490 /nfs/dbraw/zinc/40/94/90/734409490.db2.gz VXELMFVXFPALGR-UHFFFAOYSA-N 0 0 372.563 2.842 20 10 FFCDRN Cc1noc(C)c1/C=C1/SC(=S)N(c2ccc(C(N)=O)cc2)C1=O ZINC000726626322 734437671 /nfs/dbraw/zinc/43/76/71/734437671.db2.gz AQTSPXAGBDBLFA-NTUHNPAUSA-N 0 0 359.432 2.796 20 10 FFCDRN CSCCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726714002 734441468 /nfs/dbraw/zinc/44/14/68/734441468.db2.gz XQDFGTKIZIXOPT-UHFFFAOYSA-N 0 0 359.442 2.919 20 10 FFCDRN C[C@@H](C1CC1)N(C)S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000727449586 734483114 /nfs/dbraw/zinc/48/31/14/734483114.db2.gz 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Cc1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1C ZINC000733956307 734862691 /nfs/dbraw/zinc/86/26/91/734862691.db2.gz BTVKEVKIQKUMHF-MRXNPFEDSA-N 0 0 360.479 2.710 20 10 FFCDRN Cc1n[nH]c(C(=O)NCCCSc2nccs2)c1Br ZINC000733972426 734864410 /nfs/dbraw/zinc/86/44/10/734864410.db2.gz FYIQPOIBVNOVFI-UHFFFAOYSA-N 0 0 361.290 2.849 20 10 FFCDRN O=C1C[C@@]2(CC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)CN1 ZINC000894591650 734884014 /nfs/dbraw/zinc/88/40/14/734884014.db2.gz FPFCJLXVMRPRQQ-AWEZNQCLSA-N 0 0 359.651 2.520 20 10 FFCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)C1Cc2ccccc2C1 ZINC000735926077 734967382 /nfs/dbraw/zinc/96/73/82/734967382.db2.gz GTSHLDBFLOVMFO-UHFFFAOYSA-N 0 0 356.491 2.874 20 10 FFCDRN COC(=O)c1c(CN(C)Cc2nnc(C)s2)c2cc(F)ccc2n1C ZINC000895351254 734994486 /nfs/dbraw/zinc/99/44/86/734994486.db2.gz SWVHAQSOFAESDQ-UHFFFAOYSA-N 0 0 362.430 2.896 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2cccc(CSC)c2)c1O ZINC000737284821 735005972 /nfs/dbraw/zinc/00/59/72/735005972.db2.gz SUEQWAVAERFDFR-UHFFFAOYSA-N 0 0 360.435 2.519 20 10 FFCDRN CCOC(=O)N1CCC(NC(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895516794 735017841 /nfs/dbraw/zinc/01/78/41/735017841.db2.gz YKJUFLMBESCDHT-UHFFFAOYSA-N 0 0 364.423 2.663 20 10 FFCDRN CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000896276255 735130398 /nfs/dbraw/zinc/13/03/98/735130398.db2.gz JGCVXWRKNNKMDD-UHFFFAOYSA-N 0 0 368.886 2.727 20 10 FFCDRN C[C@@]1(C2CC[NH+](Cc3cccc(Br)c3[O-])CC2)COC(=O)N1 ZINC000896461488 735165583 /nfs/dbraw/zinc/16/55/83/735165583.db2.gz WZKCBTADYMETGK-INIZCTEOSA-N 0 0 369.259 2.865 20 10 FFCDRN O=C(NCCCOC1CCOCC1)c1cc2cc(O)c(O)cc2s1 ZINC000896644709 735177712 /nfs/dbraw/zinc/17/77/12/735177712.db2.gz IFUSACPRWNUETB-UHFFFAOYSA-N 0 0 351.424 2.628 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCC(NC(=O)C(C)C)CC2)c1O ZINC000748051446 735611842 /nfs/dbraw/zinc/61/18/42/735611842.db2.gz XNDJRPWUBBDKRH-UHFFFAOYSA-N 0 0 352.862 2.985 20 10 FFCDRN O=C(NCc1ccccc1O)[C@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000748354325 735637801 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CCn1cc(NC(=S)N2CCN(c3ccc(OC)c(F)c3)CC2)cn1 ZINC000753960046 736110851 /nfs/dbraw/zinc/11/08/51/736110851.db2.gz CJWKYCMUPOIHDI-UHFFFAOYSA-N 0 0 363.462 2.570 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](C)S(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 ZINC000754238364 736138968 /nfs/dbraw/zinc/13/89/68/736138968.db2.gz OWOLTOIQTUZFCX-GFCCVEGCSA-N 0 0 368.886 2.910 20 10 FFCDRN COC[C@H](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000755199631 736241631 /nfs/dbraw/zinc/24/16/31/736241631.db2.gz DBIBBRJGSHGFDF-RBSFLKMASA-N 0 0 352.450 2.728 20 10 FFCDRN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCCCSc1nccs1 ZINC000755761077 736276937 /nfs/dbraw/zinc/27/69/37/736276937.db2.gz GHQVCWWWLXHBCA-NSHDSACASA-N 0 0 374.532 2.838 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ncc(C(C)C)s1 ZINC000756100639 736306978 /nfs/dbraw/zinc/30/69/78/736306978.db2.gz MBSPHCXTKWLAEH-UHFFFAOYSA-N 0 0 360.483 2.896 20 10 FFCDRN C[C@H]([NH2+]CCNC(=O)c1ccco1)c1cc(Br)c(F)cc1[O-] ZINC000756368011 736325310 /nfs/dbraw/zinc/32/53/10/736325310.db2.gz NNSWTCWVLZTAFO-VIFPVBQESA-N 0 0 371.206 2.967 20 10 FFCDRN C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756562133 736343499 /nfs/dbraw/zinc/34/34/99/736343499.db2.gz GVYNFCRZIUBBMY-QWRGUYRKSA-N 0 0 362.239 2.998 20 10 FFCDRN C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756610116 736347282 /nfs/dbraw/zinc/34/72/82/736347282.db2.gz IDLDIAIMOXUCEK-ISVAXAHUSA-N 0 0 374.666 2.926 20 10 FFCDRN CN(CCCOc1ccc(S(C)(=O)=O)cc1)c1ccc2c(c1)OCO2 ZINC000756654392 736349836 /nfs/dbraw/zinc/34/98/36/736349836.db2.gz SFEBKZNIFMQXGP-UHFFFAOYSA-N 0 0 363.435 2.724 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)CCS(C)(=O)=O)c1cc(Br)c(F)cc1[O-] ZINC000756657641 736350313 /nfs/dbraw/zinc/35/03/13/736350313.db2.gz DYIMGHDHYSGUBH-DTWKUNHWSA-N 0 0 368.268 2.768 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756735647 736356705 /nfs/dbraw/zinc/35/67/05/736356705.db2.gz GGUQJLFKKUYUTE-RKDXNWHRSA-N 0 0 357.223 2.708 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000756735641 736356736 /nfs/dbraw/zinc/35/67/36/736356736.db2.gz GGUQJLFKKUYUTE-BDAKNGLRSA-N 0 0 357.223 2.708 20 10 FFCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cc(Br)c(F)cc1[O-] ZINC000756760107 736359563 /nfs/dbraw/zinc/35/95/63/736359563.db2.gz OHOLWDRNCKXLQL-AMJWSMQMSA-N 0 0 361.255 2.664 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000756860576 736367862 /nfs/dbraw/zinc/36/78/62/736367862.db2.gz DOPAOLIIXMMWPV-NWDGAFQWSA-N 0 0 352.431 2.566 20 10 FFCDRN C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000757659794 736417523 /nfs/dbraw/zinc/41/75/23/736417523.db2.gz QATZKEBWEDCKEN-XPTSAGLGSA-N 0 0 362.239 2.732 20 10 FFCDRN C[C@H](NC(=O)c1cc(Br)nn1C)c1ccc(N(C)C)cc1 ZINC000758059182 736449266 /nfs/dbraw/zinc/44/92/66/736449266.db2.gz UZROAXXGJHKALF-JTQLQIEISA-N 0 0 351.248 2.740 20 10 FFCDRN Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)nnc1C ZINC000758244205 736467880 /nfs/dbraw/zinc/46/78/80/736467880.db2.gz USFQCNPTBKIFPU-UHFFFAOYSA-N 0 0 357.483 2.968 20 10 FFCDRN COC(=O)[C@H](C)Oc1ccc(/C=C2/SC(=S)N(C3CC3)C2=O)cc1 ZINC000758415792 736486103 /nfs/dbraw/zinc/48/61/03/736486103.db2.gz LQBGNJIGLLYSSB-RSYJBZMQSA-N 0 0 363.460 2.991 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@@H](C)CC2(C)OCCO2)c1 ZINC000758861846 736526774 /nfs/dbraw/zinc/52/67/74/736526774.db2.gz OWBZMNUJRDRTQL-STQMWFEESA-N 0 0 352.431 2.550 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000906994988 736570003 /nfs/dbraw/zinc/57/00/03/736570003.db2.gz ZGWYCWRNOPTNIW-KCPJHIHWSA-N 0 0 352.228 2.728 20 10 FFCDRN COc1ccc([C@@H](O)CNC(=O)NCCCSc2nccs2)cc1 ZINC000759586751 736578871 /nfs/dbraw/zinc/57/88/71/736578871.db2.gz UBBICAPWCPMQKI-AWEZNQCLSA-N 0 0 367.496 2.667 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cnc(Cl)c(C)c2)c1 ZINC000760105288 736615427 /nfs/dbraw/zinc/61/54/27/736615427.db2.gz QNJWDXNXSUXKQZ-JTQLQIEISA-N 0 0 363.801 2.574 20 10 FFCDRN CC[C@@H](C)NS(=O)(=O)Cc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000761060322 736691738 /nfs/dbraw/zinc/69/17/38/736691738.db2.gz UBOPGNFNBOZLJA-LLVKDONJSA-N 0 0 368.480 2.924 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cc(F)ccc1Br ZINC000761202712 736707109 /nfs/dbraw/zinc/70/71/09/736707109.db2.gz WDMRAHHVDYOJCZ-XYOKQWHBSA-N 0 0 371.231 2.891 20 10 FFCDRN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])C1CC(O)C1 ZINC000761221995 736709092 /nfs/dbraw/zinc/70/90/92/736709092.db2.gz GZGHOLUODHKLDM-UHFFFAOYSA-N 0 0 365.065 2.872 20 10 FFCDRN O=C(Cc1cccc(I)c1)NCc1ccccc1O ZINC000761495440 736740215 /nfs/dbraw/zinc/74/02/15/736740215.db2.gz BNWWRKZLOBBHBQ-UHFFFAOYSA-N 0 0 367.186 2.856 20 10 FFCDRN COCc1ccc(OC)c(S(=O)(=O)NCc2cccc(Cl)c2O)c1 ZINC000908326469 736758180 /nfs/dbraw/zinc/75/81/80/736758180.db2.gz BAJDNQJDMNILGP-UHFFFAOYSA-N 0 0 371.842 2.679 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(-c2nc(CS(=O)(=O)N(C)C)no2)cc1 ZINC000761878171 736768065 /nfs/dbraw/zinc/76/80/65/736768065.db2.gz HXTSHCPINIHLPI-UHFFFAOYSA-N 0 0 360.439 2.536 20 10 FFCDRN Cc1ccc(Br)c(NC(=O)C(=O)NCc2ccccc2O)c1 ZINC000761937015 736774240 /nfs/dbraw/zinc/77/42/40/736774240.db2.gz UFTOAABQJGLPQO-UHFFFAOYSA-N 0 0 363.211 2.718 20 10 FFCDRN O=C1CCc2cc(Cl)c(NS(=O)(=O)c3cccc4nonc43)cc21 ZINC000761980749 736779033 /nfs/dbraw/zinc/77/90/33/736779033.db2.gz ZDIAJXZEKJFDPJ-UHFFFAOYSA-N 0 0 363.782 2.806 20 10 FFCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3cn4cccnc4n3)sc2n1 ZINC000762838523 736873221 /nfs/dbraw/zinc/87/32/21/736873221.db2.gz ZABNEHNRKPMTDJ-UHFFFAOYSA-N 0 0 353.407 2.895 20 10 FFCDRN NC(=O)[C@@H](NCc1ccc2c(c1)CCO2)c1cccc(Br)c1 ZINC000763386735 736934675 /nfs/dbraw/zinc/93/46/75/736934675.db2.gz QSLACECMEOFBPW-INIZCTEOSA-N 0 0 361.239 2.700 20 10 FFCDRN O=C(NCCc1cccc(O)c1)NCc1cccc(Br)c1O ZINC000765478464 737122488 /nfs/dbraw/zinc/12/24/88/737122488.db2.gz CXZXJWMRZMJUFZ-UHFFFAOYSA-N 0 0 365.227 2.902 20 10 FFCDRN CC(=O)OCC(C)(C)CC(=O)NCc1cccc(Br)c1O ZINC000765737756 737151373 /nfs/dbraw/zinc/15/13/73/737151373.db2.gz ZCEJJXIRNOGJCB-UHFFFAOYSA-N 0 0 358.232 2.750 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cccc([N+](=O)[O-])c1 ZINC000765747020 737152955 /nfs/dbraw/zinc/15/29/55/737152955.db2.gz JUCDBOOABMDGFQ-UHFFFAOYSA-N 0 0 351.156 2.993 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1ccccc1-n1ccnn1 ZINC000765764052 737155776 /nfs/dbraw/zinc/15/57/76/737155776.db2.gz GOFKESCPXDUAFC-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(Br)c1O ZINC000765766907 737156347 /nfs/dbraw/zinc/15/63/47/737156347.db2.gz DSSAIHAFTRLYRT-ALCCZGGFSA-N 0 0 364.195 2.896 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nccc(S(C)(=O)=O)n1 ZINC000911661838 737221349 /nfs/dbraw/zinc/22/13/49/737221349.db2.gz XUHFVLDXMHYYNZ-UHFFFAOYSA-N 0 0 360.483 2.507 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cnc(Cl)cc2C)c1 ZINC000766434275 737229392 /nfs/dbraw/zinc/22/93/92/737229392.db2.gz WYUKVKGOMNHERG-SNVBAGLBSA-N 0 0 363.801 2.574 20 10 FFCDRN COc1nc(C)ccc1C(=O)NCc1cc(Br)ccc1O ZINC000804739638 740901930 /nfs/dbraw/zinc/90/19/30/740901930.db2.gz MUWYDHHVAKMALI-UHFFFAOYSA-N 0 0 351.200 2.797 20 10 FFCDRN O=S(=O)(Nc1ccc(O)cc1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000767441409 737325918 /nfs/dbraw/zinc/32/59/18/737325918.db2.gz WWUFVDYRNFCYIB-GFCCVEGCSA-N 0 0 367.398 2.747 20 10 FFCDRN COc1ccc(N2CCCN(Cn3ccc(Br)n3)CC2)cc1 ZINC000767966223 737387554 /nfs/dbraw/zinc/38/75/54/737387554.db2.gz UFFHYHQJBPFAAV-UHFFFAOYSA-N 0 0 365.275 2.824 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cc1F ZINC000768301627 737412635 /nfs/dbraw/zinc/41/26/35/737412635.db2.gz SYWLOHCXTFAWEC-WMLDXEAASA-N 0 0 351.466 2.830 20 10 FFCDRN CCN(CC)C(=O)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000768296257 737412646 /nfs/dbraw/zinc/41/26/46/737412646.db2.gz MJOMKFCOXILGLO-UHFFFAOYSA-N 0 0 370.291 2.734 20 10 FFCDRN COC(=O)[C@@H](NCc1cc(Br)cc(OC)c1O)C(C)(C)C ZINC000768523732 737429386 /nfs/dbraw/zinc/42/93/86/737429386.db2.gz GQQPOZKFYUGAMD-CYBMUJFWSA-N 0 0 360.248 2.841 20 10 FFCDRN CN1C(=O)C[C@H](NC(=O)C2=CC(=O)CS2)[C@H]1c1ccc(Cl)cc1 ZINC000768752564 737455164 /nfs/dbraw/zinc/45/51/64/737455164.db2.gz CZDDAGSXCVRLJW-SWLSCSKDSA-N 0 0 350.827 2.809 20 10 FFCDRN COC(=O)[C@H](C)Sc1ccccc1C(=O)NCc1ccc(O)c(O)c1 ZINC000768914004 737476849 /nfs/dbraw/zinc/47/68/49/737476849.db2.gz LFIVBWUDFYUZAF-NSHDSACASA-N 0 0 361.419 2.681 20 10 FFCDRN C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H]2CCCC[C@@H]12 ZINC000769687997 737553750 /nfs/dbraw/zinc/55/37/50/737553750.db2.gz AYBADKZFWAXLKC-IVMMDQJWSA-N 0 0 366.483 2.805 20 10 FFCDRN COC(=O)c1cc(F)c(C)c(S(=O)(=O)Nc2ccc(O)c(C)c2)c1 ZINC000769862070 737574640 /nfs/dbraw/zinc/57/46/40/737574640.db2.gz GUGGMZQVOJJRRX-UHFFFAOYSA-N 0 0 353.371 2.736 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNS(=O)(=O)CC3CCC3)cc2F)C[C@@H](C)O1 ZINC000771729326 737750242 /nfs/dbraw/zinc/75/02/42/737750242.db2.gz AOIACSTWHJQSPR-ZIAGYGMSSA-N 0 0 370.490 2.659 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2C(F)(F)F)SC1=S ZINC000771851699 737761229 /nfs/dbraw/zinc/76/12/29/737761229.db2.gz UASOZWOIDMYMME-YCRREMRBSA-N 0 0 364.345 2.531 20 10 FFCDRN COC(=O)CCCNC(=S)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000917593889 737767482 /nfs/dbraw/zinc/76/74/82/737767482.db2.gz YOGPUZIZPYUCQG-UHFFFAOYSA-N 0 0 351.516 2.791 20 10 FFCDRN C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(N(C)C)cc1 ZINC000773088239 737870216 /nfs/dbraw/zinc/87/02/16/737870216.db2.gz NOGVJOAKIXHKLN-ZDUSSCGKSA-N 0 0 363.439 2.841 20 10 FFCDRN CCN1C(=O)C(=CNc2ccccc2C(F)(F)F)C(=O)N(CC)C1=S ZINC000920974451 737937477 /nfs/dbraw/zinc/93/74/77/737937477.db2.gz LZTYNTFODFQWFM-UHFFFAOYSA-N 0 0 371.384 2.997 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000774116245 737962530 /nfs/dbraw/zinc/96/25/30/737962530.db2.gz VCDKZNJKHVTTFC-WQLSENKSSA-N 0 0 353.787 2.551 20 10 FFCDRN C[C@@H]([NH2+]CCCN(C)S(C)(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000774123557 737962932 /nfs/dbraw/zinc/96/29/32/737962932.db2.gz QBKVMRXCAVGZAX-SECBINFHSA-N 0 0 355.287 2.631 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N3CCCC3)cc2Cl)C1 ZINC000774246378 737973142 /nfs/dbraw/zinc/97/31/42/737973142.db2.gz VBDYKXYGRMQQMV-AWEZNQCLSA-N 0 0 363.889 2.815 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H](C2CCCCC2)N(C)C)ccc1[N+](=O)[O-] ZINC000774980450 738047782 /nfs/dbraw/zinc/04/77/82/738047782.db2.gz WIJVWKQXZKUSSU-MRXNPFEDSA-N 0 0 351.447 2.909 20 10 FFCDRN CCOC(=O)C[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000775082005 738059996 /nfs/dbraw/zinc/05/99/96/738059996.db2.gz QZLSTYOHQOHRNA-KRWDZBQOSA-N 0 0 354.403 2.767 20 10 FFCDRN C[C@@H]1CN(Cc2cc(Cl)cc(F)c2[O-])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000775726984 738117973 /nfs/dbraw/zinc/11/79/73/738117973.db2.gz DFKVEFRMZULGAO-CXAGYDPISA-N 0 0 355.885 2.643 20 10 FFCDRN O=S(=O)(NCC1CC1)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000922370861 738130944 /nfs/dbraw/zinc/13/09/44/738130944.db2.gz QZZXQNPSVMWRCR-UHFFFAOYSA-N 0 0 368.405 2.971 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(Cl)ccc2O)CCO1 ZINC000776017773 738152635 /nfs/dbraw/zinc/15/26/35/738152635.db2.gz RKDMPINYVLOONF-CQSZACIVSA-N 0 0 356.850 2.771 20 10 FFCDRN O=C(NC[C@H](O)COc1cccc(Cl)c1Cl)c1cccc(O)c1O ZINC000776341961 738184500 /nfs/dbraw/zinc/18/45/00/738184500.db2.gz UMPVNNWDFPQVGN-VIFPVBQESA-N 0 0 372.204 2.574 20 10 FFCDRN CCOC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000776809709 738235214 /nfs/dbraw/zinc/23/52/14/738235214.db2.gz UMJKPYOYWYKYGH-QWHCGFSZSA-N 0 0 351.403 2.647 20 10 FFCDRN Cc1nc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)[nH]c(=O)c1C ZINC000776869185 738240168 /nfs/dbraw/zinc/24/01/68/738240168.db2.gz ZSXQTNGIHOKRPR-UHFFFAOYSA-N 0 0 360.483 2.616 20 10 FFCDRN COc1c(F)cc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1[N+](=O)[O-] ZINC000777639671 738308959 /nfs/dbraw/zinc/30/89/59/738308959.db2.gz JOWWJYVOHVXJRE-UHFFFAOYSA-N 0 0 356.331 2.557 20 10 FFCDRN O=C(CCC(=O)N1CCc2sccc2C1)NCc1c(O)cccc1F ZINC000928712766 738898954 /nfs/dbraw/zinc/89/89/54/738898954.db2.gz ZAONPUAPYTYPQH-UHFFFAOYSA-N 0 0 362.426 2.574 20 10 FFCDRN CSc1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1[N+](=O)[O-] ZINC000784812661 738919467 /nfs/dbraw/zinc/91/94/67/738919467.db2.gz KQPQCQRXBVKESY-UHFFFAOYSA-N 0 0 363.347 2.768 20 10 FFCDRN Cc1ccc(Br)nc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000784889917 738923494 /nfs/dbraw/zinc/92/34/94/738923494.db2.gz RBJBQDWXMKUNSB-UHFFFAOYSA-N 0 0 366.167 2.603 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@@H](OC)C(F)(F)F)c1 ZINC000786850086 739081880 /nfs/dbraw/zinc/08/18/80/739081880.db2.gz JJBPALHYJKSSGZ-TVQRCGJNSA-N 0 0 350.337 2.728 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)C(F)F)NC(=O)OC(C)(C)C)cc1 ZINC000787395252 739133440 /nfs/dbraw/zinc/13/34/40/739133440.db2.gz ABERLLXATPZOIE-CYBMUJFWSA-N 0 0 357.401 2.700 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCCC(C)C)cc1F ZINC000787612418 739151804 /nfs/dbraw/zinc/15/18/04/739151804.db2.gz KBWHZYFPBJCURA-UHFFFAOYSA-N 0 0 351.466 2.841 20 10 FFCDRN COc1ccc(CNC(=O)Nc2c(C(F)(F)F)c(C)nn2C)c(O)c1 ZINC000931360690 739251492 /nfs/dbraw/zinc/25/14/92/739251492.db2.gz ADKLKJQHNFVDED-UHFFFAOYSA-N 0 0 358.320 2.783 20 10 FFCDRN C[C@@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788670589 739270755 /nfs/dbraw/zinc/27/07/55/739270755.db2.gz UVBIIQWUSVKFNO-SNVBAGLBSA-N 0 0 351.390 2.886 20 10 FFCDRN Cc1cc(C(=O)OCC(=O)OCC(F)(F)F)c(C)n1-c1ccccn1 ZINC000788916341 739296146 /nfs/dbraw/zinc/29/61/46/739296146.db2.gz PMHJUODSTBSATB-UHFFFAOYSA-N 0 0 356.300 2.751 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@]2(C)CCCS2)cc1 ZINC000788976767 739305292 /nfs/dbraw/zinc/30/52/92/739305292.db2.gz GYELIMKCLKJQAI-LJQANCHMSA-N 0 0 363.527 2.551 20 10 FFCDRN CN(C)[C@H](CNC(=O)c1c(F)ccc(O)c1O)c1c(F)cccc1F ZINC000789978206 739401880 /nfs/dbraw/zinc/40/18/80/739401880.db2.gz IUDJZIQQVAWZNA-GFCCVEGCSA-N 0 0 354.328 2.548 20 10 FFCDRN COC[C@@](C)(NC(=O)NCCCSc1nccs1)C(F)(F)F ZINC000932335683 739434536 /nfs/dbraw/zinc/43/45/36/739434536.db2.gz LOJUOSPGPGCMEG-LLVKDONJSA-N 0 0 357.423 2.892 20 10 FFCDRN CN1CCCc2cc(CNC(=O)CCOCC(F)(F)C(F)F)ccc21 ZINC000790537995 739467063 /nfs/dbraw/zinc/46/70/63/739467063.db2.gz YWVSROAVTCSHSP-UHFFFAOYSA-N 0 0 362.367 2.992 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCS[C@H](C)C1 ZINC000932678430 739492166 /nfs/dbraw/zinc/49/21/66/739492166.db2.gz NPERENIRSOVGLH-ZBFHGGJFSA-N 0 0 363.527 2.501 20 10 FFCDRN Cc1cc(Br)c(O)c(CN[C@@H](C)c2nnnn2C2CC2)c1 ZINC000791010314 739523187 /nfs/dbraw/zinc/52/31/87/739523187.db2.gz WTPQAJNVTCZVSJ-VIFPVBQESA-N 0 0 352.236 2.635 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)CCC(=O)OC(C)C)c1 ZINC000792303086 739660261 /nfs/dbraw/zinc/66/02/61/739660261.db2.gz HQUYALMIQNDIMN-STQMWFEESA-N 0 0 352.431 2.881 20 10 FFCDRN CN(C)C(=O)N1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792790431 739707574 /nfs/dbraw/zinc/70/75/74/739707574.db2.gz VHFDVQUWOCIFPM-UHFFFAOYSA-N 0 0 358.408 2.571 20 10 FFCDRN COc1ccc(CNC(=O)NCc2nc(C(F)(F)F)cs2)c(O)c1 ZINC000792956375 739722806 /nfs/dbraw/zinc/72/28/06/739722806.db2.gz IBFJAUNOQOMHIQ-UHFFFAOYSA-N 0 0 361.345 2.876 20 10 FFCDRN O=C(NOCC(F)F)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000793183734 739749469 /nfs/dbraw/zinc/74/94/69/739749469.db2.gz CCYUHKCMXQFMPI-JTQLQIEISA-N 0 0 365.327 2.753 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCO[C@@]3(CCO[C@H]3C)C2)c1 ZINC000793232578 739755676 /nfs/dbraw/zinc/75/56/76/739755676.db2.gz YUUXIWJIHBVGPC-LRDDRELGSA-N 0 0 356.260 2.843 20 10 FFCDRN CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(C)cc(Br)c2[O-])C1 ZINC000793284880 739762153 /nfs/dbraw/zinc/76/21/53/739762153.db2.gz IVKLXLQGPGHPCW-ZDUSSCGKSA-N 0 0 355.276 2.811 20 10 FFCDRN CCn1nccc1CN(CCO)Cc1cc(Br)cc(C)c1O ZINC000793307078 739764473 /nfs/dbraw/zinc/76/44/73/739764473.db2.gz IFRBYWUDDZTDNY-UHFFFAOYSA-N 0 0 368.275 2.674 20 10 FFCDRN Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000793842385 739819157 /nfs/dbraw/zinc/81/91/57/739819157.db2.gz CCEOMDIFNBWFMY-CQSZACIVSA-N 0 0 359.495 2.925 20 10 FFCDRN COc1ccc(CNC(=O)c2cnn(-c3ccc(Cl)cc3)n2)c(O)c1 ZINC000794379535 739884881 /nfs/dbraw/zinc/88/48/81/739884881.db2.gz PCCVRQWUBHJVBN-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN COc1ccc(CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000794382361 739885268 /nfs/dbraw/zinc/88/52/68/739885268.db2.gz AOFTYJWONKNRCJ-UHFFFAOYSA-N 0 0 352.431 2.710 20 10 FFCDRN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cc(Br)c(F)cc1[O-] ZINC000794828753 739933880 /nfs/dbraw/zinc/93/38/80/739933880.db2.gz OARQYJDNAOTUNB-MRVPVSSYSA-N 0 0 366.252 2.522 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2ccc(C)c3ncccc23)c(O)c1 ZINC000795362600 740010410 /nfs/dbraw/zinc/01/04/10/740010410.db2.gz NVQUTFPOVBEEEC-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCN(C)C(=O)OC(C)(C)C)cc1F ZINC000795829995 740068483 /nfs/dbraw/zinc/06/84/83/740068483.db2.gz PBTUPCGPXDOXIH-UHFFFAOYSA-N 0 0 353.438 2.765 20 10 FFCDRN O=S(=O)(Cc1ccccc1)NCc1cc(Br)ccc1O ZINC000796190477 740114239 /nfs/dbraw/zinc/11/42/39/740114239.db2.gz IBXHOLPHSFFGMS-UHFFFAOYSA-N 0 0 356.241 2.774 20 10 FFCDRN Cc1cc(C(=O)CN(CCO)CC(F)F)c(C)n1-c1ccc(F)cc1 ZINC000796469288 740145615 /nfs/dbraw/zinc/14/56/15/740145615.db2.gz SAYZSULOSJOKJN-UHFFFAOYSA-N 0 0 354.372 2.975 20 10 FFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000796517714 740149394 /nfs/dbraw/zinc/14/93/94/740149394.db2.gz ZNZMFUNDTJRORB-GFCCVEGCSA-N 0 0 356.747 2.537 20 10 FFCDRN COc1ncccc1NC(=O)NCc1cc(Br)ccc1O ZINC000796638329 740165778 /nfs/dbraw/zinc/16/57/78/740165778.db2.gz DMERECMYLDRHKS-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2ccccc2CSC)c(O)c1 ZINC000797388835 740241806 /nfs/dbraw/zinc/24/18/06/740241806.db2.gz BIFPCWLPNJHQNW-UHFFFAOYSA-N 0 0 360.435 2.519 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cn(C)nc1C(F)(F)F ZINC000797646005 740261174 /nfs/dbraw/zinc/26/11/74/740261174.db2.gz NQNFCPCPGBAKMD-QMMMGPOBSA-N 0 0 358.320 2.603 20 10 FFCDRN CCOC(=O)[C@@H]1CC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000798109532 740304900 /nfs/dbraw/zinc/30/49/00/740304900.db2.gz NXAHLDTUSHGKPU-NEPJUHHUSA-N 0 0 357.501 2.656 20 10 FFCDRN CCOC(=O)[C@H]1CSCN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000798259108 740317740 /nfs/dbraw/zinc/31/77/40/740317740.db2.gz KQEPNFCMTGFJJW-OAHLLOKOSA-N 0 0 359.451 2.567 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@H](CO)CC2CCCC2)cc1F ZINC000798393434 740327746 /nfs/dbraw/zinc/32/77/46/740327746.db2.gz TXBYUFXHXPIIHC-MRXNPFEDSA-N 0 0 351.466 2.880 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@]1(CO)CCOc2ccccc21 ZINC000799344751 740410921 /nfs/dbraw/zinc/41/09/21/740410921.db2.gz ZTJPBQBRBRFLET-KRWDZBQOSA-N 0 0 364.239 2.915 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cc(C)ccc2OC)c1 ZINC000799774470 740450153 /nfs/dbraw/zinc/45/01/53/740450153.db2.gz ZXPTUJLOKNDJON-GFCCVEGCSA-N 0 0 351.424 2.757 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC(=O)N3C)cc2Cl)C1 ZINC000800049153 740478270 /nfs/dbraw/zinc/47/82/70/740478270.db2.gz GLURMAAVZIKEGR-GUYCJALGSA-N 0 0 363.889 2.813 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C(C)(C)C(N)=O)cc2Cl)C1 ZINC000800571285 740534637 /nfs/dbraw/zinc/53/46/37/740534637.db2.gz HXJWCWNYZVSVJW-GFCCVEGCSA-N 0 0 351.878 2.704 20 10 FFCDRN O=C(N[C@@H]1COc2cc(F)c(Br)cc21)c1cccc(O)c1O ZINC000800661260 740541112 /nfs/dbraw/zinc/54/11/12/740541112.db2.gz QWHQWACTBPKYTD-LLVKDONJSA-N 0 0 368.158 2.863 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC[C@@H]1OCC ZINC000802291913 740693407 /nfs/dbraw/zinc/69/34/07/740693407.db2.gz GHJWTCKTNIFGOF-AEFFLSMTSA-N 0 0 350.459 2.898 20 10 FFCDRN COc1ccc(C(=O)NCc2cc(Br)ccc2O)c(O)c1 ZINC000804736419 740901165 /nfs/dbraw/zinc/90/11/65/740901165.db2.gz RVOUMTZDFCUVBJ-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN CN(C)c1ccc(C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804737544 740901532 /nfs/dbraw/zinc/90/15/32/740901532.db2.gz KWJGLFHPFYCBBJ-UHFFFAOYSA-N 0 0 350.216 2.546 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000805012164 740925679 /nfs/dbraw/zinc/92/56/79/740925679.db2.gz FVGVAHKHDHBYAG-UHFFFAOYSA-N 0 0 363.769 2.811 20 10 FFCDRN Cc1nnc([C@@H](C)NC(=O)NCc2cc(Br)ccc2O)s1 ZINC000805280994 740956421 /nfs/dbraw/zinc/95/64/21/740956421.db2.gz QIEOXKOACLVYFS-SSDOTTSWSA-N 0 0 371.260 2.875 20 10 FFCDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)NCCCSc1nccs1 ZINC000806958349 741098513 /nfs/dbraw/zinc/09/85/13/741098513.db2.gz GXVHIODDUUGHAQ-ZJUUUORDSA-N 0 0 369.434 2.987 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)[C@@H](C)c1cccs1 ZINC000807097228 741110394 /nfs/dbraw/zinc/11/03/94/741110394.db2.gz NTVJDEASXBHXLS-AWEZNQCLSA-N 0 0 359.495 2.958 20 10 FFCDRN Cc1cscc1NC(=O)C(=O)NCc1cc(Br)ccc1O ZINC000807385933 741131444 /nfs/dbraw/zinc/13/14/44/741131444.db2.gz VQVDYTUMHJRWLS-UHFFFAOYSA-N 0 0 369.240 2.780 20 10 FFCDRN CSCC[C@@H](C)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807678472 741148542 /nfs/dbraw/zinc/14/85/42/741148542.db2.gz XRTYQKCEMPJYQB-KGLIPLIRSA-N 0 0 351.516 2.530 20 10 FFCDRN CCNc1ncc(C(=O)NCc2cc(Br)ccc2O)s1 ZINC000807737495 741153233 /nfs/dbraw/zinc/15/32/33/741153233.db2.gz VMFGRTOHQSLECJ-UHFFFAOYSA-N 0 0 356.245 2.973 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC[C@@H](SC)C1 ZINC000807767393 741157050 /nfs/dbraw/zinc/15/70/50/741157050.db2.gz YPNHLXYMFWIDDA-JKSUJKDBSA-N 0 0 364.511 2.921 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC)CSC ZINC000807911936 741171032 /nfs/dbraw/zinc/17/10/32/741171032.db2.gz CYSWCSSFDYWADB-HNNXBMFYSA-N 0 0 352.500 2.779 20 10 FFCDRN CC(=O)C(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccco1 ZINC000808025583 741178791 /nfs/dbraw/zinc/17/87/91/741178791.db2.gz BCSVISOFUCNXLW-UHFFFAOYSA-N 0 0 359.382 2.976 20 10 FFCDRN Nc1nc(-n2cccn2)cc(NCc2cc(Cl)cc(Cl)c2[O-])[nH+]1 ZINC000808089160 741184942 /nfs/dbraw/zinc/18/49/42/741184942.db2.gz IPYALGJCDZUTAS-UHFFFAOYSA-N 0 0 351.197 2.869 20 10 FFCDRN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1 ZINC000808103931 741187009 /nfs/dbraw/zinc/18/70/09/741187009.db2.gz FFDVXMRGWCFFIA-UHFFFAOYSA-N 0 0 368.842 2.938 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1c(C)onc1-c1ccc(C(F)(F)F)cc1 ZINC000808540965 741234230 /nfs/dbraw/zinc/23/42/30/741234230.db2.gz MAVLKXPCUXILSG-UHFFFAOYSA-N 0 0 355.268 2.984 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1[O-] ZINC000808783773 741260491 /nfs/dbraw/zinc/26/04/91/741260491.db2.gz UOEIQAAZJUEJIT-JEBQAFNWSA-N 0 0 364.873 2.985 20 10 FFCDRN COc1ccc(C[C@H](CO)C[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1O ZINC000809749757 741339970 /nfs/dbraw/zinc/33/99/70/741339970.db2.gz RHSGOGBUQLZNNZ-LBPRGKRZSA-N 0 0 369.820 2.840 20 10 FFCDRN CC[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1cc(Cl)cc(Cl)c1[O-] ZINC000810261172 741402760 /nfs/dbraw/zinc/40/27/60/741402760.db2.gz BOMCYRQNMXLLPB-LBPRGKRZSA-N 0 0 355.287 2.631 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc3nc(C)sc3c2)c1 ZINC000813672961 741746846 /nfs/dbraw/zinc/74/68/46/741746846.db2.gz NQRPQZKZEZTAFP-UHFFFAOYSA-N 0 0 364.448 2.797 20 10 FFCDRN C[C@@H](CF)NC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000814283049 741808926 /nfs/dbraw/zinc/80/89/26/741808926.db2.gz ACJZLRHWXYGJPD-NSHDSACASA-N 0 0 363.355 2.699 20 10 FFCDRN CN(C/C=C\C(=O)NCCCSc1nccs1)CC(F)(F)F ZINC000815591117 741947025 /nfs/dbraw/zinc/94/70/25/741947025.db2.gz XKUFQLJGISRXAK-RQOWECAXSA-N 0 0 353.435 2.792 20 10 FFCDRN C[C@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595441 741947452 /nfs/dbraw/zinc/94/74/52/741947452.db2.gz RNWMBAMIAOTJMD-JTQLQIEISA-N 0 0 351.390 2.886 20 10 FFCDRN CNC(=O)[C@H](CCSC)[NH2+][C@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815626856 741948969 /nfs/dbraw/zinc/94/89/69/741948969.db2.gz NRHACHXKCGBKSZ-SKDRFNHKSA-N 0 0 350.406 2.929 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ncccc1Cl ZINC000815655071 741950444 /nfs/dbraw/zinc/95/04/44/741950444.db2.gz HNJUMGGURXCTMG-UHFFFAOYSA-N 0 0 359.857 2.874 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)c1 ZINC000816667518 742052264 /nfs/dbraw/zinc/05/22/64/742052264.db2.gz PDEZWNFZQXYEAY-IAGOWNOFSA-N 0 0 370.287 2.873 20 10 FFCDRN COC[C@H](C)OC[C@@H](O)CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC000817298820 742120852 /nfs/dbraw/zinc/12/08/52/742120852.db2.gz PPQLXJODPRQZJH-SZMVWBNQSA-N 0 0 351.487 2.742 20 10 FFCDRN C[C@@H](NC(=O)c1ccc(S(C)(=O)=O)s1)c1ccc(N(C)C)cc1 ZINC000817446446 742146016 /nfs/dbraw/zinc/14/60/16/742146016.db2.gz XBDYQWSVJSNFKC-LLVKDONJSA-N 0 0 352.481 2.709 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H](C)C1(OC)CCOCC1 ZINC000817810440 742215505 /nfs/dbraw/zinc/21/55/05/742215505.db2.gz YDZIOAJFJSGYSJ-HNNXBMFYSA-N 0 0 350.459 2.898 20 10 FFCDRN CC[C@H](NC(=O)C(=O)NCCCSc1nccs1)[C@H]1CC1(C)C ZINC000817823529 742216441 /nfs/dbraw/zinc/21/64/41/742216441.db2.gz MJFGABNIIZUWCM-NEPJUHHUSA-N 0 0 355.529 2.682 20 10 FFCDRN CN(C[C@@H](O)CNc1ccccc1OCC(F)F)C(=O)OC(C)(C)C ZINC000819460430 742393765 /nfs/dbraw/zinc/39/37/65/742393765.db2.gz MTCZURHFIBHJEH-LBPRGKRZSA-N 0 0 360.401 2.970 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)CSc3ccncc3)C2)cc1 ZINC000819578801 742410620 /nfs/dbraw/zinc/41/06/20/742410620.db2.gz YEQWSSQNGHWPLE-OAHLLOKOSA-N 0 0 357.479 2.825 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3c(C)nn(C)c3Cl)C2)cc1 ZINC000819580544 742410909 /nfs/dbraw/zinc/41/09/09/742410909.db2.gz LAWABPLRTXPQQW-CYBMUJFWSA-N 0 0 362.861 2.647 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3c(C)noc3Cl)C2)cc1 ZINC000819583305 742410945 /nfs/dbraw/zinc/41/09/45/742410945.db2.gz VIEMYFOQHCDNPU-CYBMUJFWSA-N 0 0 363.845 2.830 20 10 FFCDRN COCc1ncc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000819591663 742411448 /nfs/dbraw/zinc/41/14/48/742411448.db2.gz UXDOJIGFMXOGCP-CYBMUJFWSA-N 0 0 361.467 2.554 20 10 FFCDRN Cc1cc(C(F)(F)F)nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000821806887 742665061 /nfs/dbraw/zinc/66/50/61/742665061.db2.gz JGTVKCVLVKYOAA-QMMMGPOBSA-N 0 0 355.316 2.576 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCC3CC(F)(F)C3)C2)cc1 ZINC000823637832 742952977 /nfs/dbraw/zinc/95/29/77/742952977.db2.gz QLQSHAKFKWAAHS-CYBMUJFWSA-N 0 0 353.413 2.866 20 10 FFCDRN C[C@@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000823688929 742962059 /nfs/dbraw/zinc/96/20/59/742962059.db2.gz XRYRNGCIDPJCRX-SECBINFHSA-N 0 0 367.318 2.551 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000824653918 743123055 /nfs/dbraw/zinc/12/30/55/743123055.db2.gz JMQGDOJXHQHDFG-GUTXKFCHSA-N 0 0 356.260 2.517 20 10 FFCDRN CC(C)(C)OC(=O)[C@H]1CN(Cc2ccc(Br)cc2O)CCO1 ZINC000824849722 743163331 /nfs/dbraw/zinc/16/33/31/743163331.db2.gz HDQASBKWJPVOFB-CQSZACIVSA-N 0 0 372.259 2.697 20 10 FFCDRN Cn1nccc1[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000825045641 743201283 /nfs/dbraw/zinc/20/12/83/743201283.db2.gz IKILQSXODYLVFG-SWLSCSKDSA-N 0 0 366.805 2.697 20 10 FFCDRN COc1ccc(O)c(CNc2cccc(S(=O)(=O)N(C)C)c2C)c1 ZINC000825290070 743242458 /nfs/dbraw/zinc/24/24/58/743242458.db2.gz NDXZOLXKEIXAKU-UHFFFAOYSA-N 0 0 350.440 2.572 20 10 FFCDRN Cn1ccnc1[C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000825328058 743249325 /nfs/dbraw/zinc/24/93/25/743249325.db2.gz XLSOZAMYSICLQP-TZMCWYRMSA-N 0 0 366.805 2.697 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@]2(CCSC2)C1 ZINC000825721229 743317993 /nfs/dbraw/zinc/31/79/93/743317993.db2.gz LPJXUMCLFGRAAQ-LJQANCHMSA-N 0 0 361.511 2.704 20 10 FFCDRN Oc1cc(Br)ccc1C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000826097340 743367316 /nfs/dbraw/zinc/36/73/16/743367316.db2.gz YZUSAGYENNRLSL-CABZTGNLSA-N 0 0 354.166 2.900 20 10 FFCDRN O=S1(=O)CCN(Cc2ccc(Br)cc2O)CCC12CCC2 ZINC000826123862 743369667 /nfs/dbraw/zinc/36/96/67/743369667.db2.gz WFCVZTJCCFBIEK-UHFFFAOYSA-N 0 0 374.300 2.698 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CCC[C@H]2CCOC2)cc1 ZINC000827019320 743490009 /nfs/dbraw/zinc/49/00/09/743490009.db2.gz OBDLVYXJZGJGGY-KRWDZBQOSA-N 0 0 366.527 2.864 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(F)F)c1 ZINC000827166197 743524103 /nfs/dbraw/zinc/52/41/03/743524103.db2.gz GSDDBVGNISPPIT-GFCCVEGCSA-N 0 0 358.385 2.865 20 10 FFCDRN COC(=O)C1(C(=O)NCCCSc2nccs2)CC2(CCC2)C1 ZINC000827475323 743584567 /nfs/dbraw/zinc/58/45/67/743584567.db2.gz XLVFIKYHAUWQOR-UHFFFAOYSA-N 0 0 354.497 2.865 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)CCOCC1CCC1 ZINC000827694176 744961926 /nfs/dbraw/zinc/96/19/26/744961926.db2.gz AFOHUBIBYMXNJK-INIZCTEOSA-N 0 0 368.543 2.728 20 10 FFCDRN CC(C)NS(=O)(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827923756 745002267 /nfs/dbraw/zinc/00/22/67/745002267.db2.gz ZFDSWYIBEROUBT-CYBMUJFWSA-N 0 0 362.451 2.570 20 10 FFCDRN Cc1sc2ncn(CC(=O)N[C@H](C)c3ccccc3O)c(=O)c2c1C ZINC000827923309 745002665 /nfs/dbraw/zinc/00/26/65/745002665.db2.gz OLFLLLJNKCGRFW-LLVKDONJSA-N 0 0 357.435 2.658 20 10 FFCDRN Cn1cc(-c2cc3c(nn2)CCN(Cc2cc(Cl)ccc2O)C3)cn1 ZINC000828104357 745027737 /nfs/dbraw/zinc/02/77/37/745027737.db2.gz PJFULQJMRKOABS-UHFFFAOYSA-N 0 0 355.829 2.794 20 10 FFCDRN CCCN(CC(N)=O)CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000830013505 745293988 /nfs/dbraw/zinc/29/39/88/745293988.db2.gz LHMSRZUALTZIOW-UHFFFAOYSA-N 0 0 362.861 2.523 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C[C@@H]1CCC(=O)N1C ZINC000830149015 745314949 /nfs/dbraw/zinc/31/49/49/745314949.db2.gz AFCAHZZLIKLFTG-ZDUSSCGKSA-N 0 0 369.259 2.514 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1O ZINC000831914921 745605072 /nfs/dbraw/zinc/60/50/72/745605072.db2.gz BILUKVMCHHVYRW-QGZVFWFLSA-N 0 0 371.886 2.649 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC000831930533 745607077 /nfs/dbraw/zinc/60/70/77/745607077.db2.gz DONYKIMJUBRREP-IINYFYTJSA-N 0 0 357.332 2.535 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1O ZINC000832298277 745674106 /nfs/dbraw/zinc/67/41/06/745674106.db2.gz KQRRTEGAGVPFJS-OTYXRUKQSA-N 0 0 351.752 2.993 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(F)c1Br ZINC000834412335 745833806 /nfs/dbraw/zinc/83/38/06/745833806.db2.gz AXDJLBYTFHWWRJ-DHZHZOJOSA-N 0 0 371.231 2.891 20 10 FFCDRN COC[C@@](C)(O)CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000834844583 745913289 /nfs/dbraw/zinc/91/32/89/745913289.db2.gz RMSPKTHFULRQNB-XPTSAGLGSA-N 0 0 350.228 2.732 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OC1CCS(=O)(=O)CC1 ZINC000835707071 746064341 /nfs/dbraw/zinc/06/43/41/746064341.db2.gz RAUCEGOETSVSBV-UHFFFAOYSA-N 0 0 353.465 2.890 20 10 FFCDRN Cc1ccnc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000836240095 746172131 /nfs/dbraw/zinc/17/21/31/746172131.db2.gz CNDJVWONSJNCFT-UHFFFAOYSA-N 0 0 356.495 2.943 20 10 FFCDRN CO[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H]1C ZINC000836243160 746173318 /nfs/dbraw/zinc/17/33/18/746173318.db2.gz UWXZKVKMDVBGNH-YJBOKZPZSA-N 0 0 363.527 2.806 20 10 FFCDRN Cc1cc(NC(=O)NCCCSc2nccs2)cc(C(N)=O)c1 ZINC000836734243 746293433 /nfs/dbraw/zinc/29/34/33/746293433.db2.gz HMXOHNVMWVRGEK-UHFFFAOYSA-N 0 0 350.469 2.854 20 10 FFCDRN CC(C)(C)SCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837704588 746502893 /nfs/dbraw/zinc/50/28/93/746502893.db2.gz KGJJFRRBIIBXEX-UHFFFAOYSA-N 0 0 358.454 2.949 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CC1(Cl)Cl ZINC000837705392 746503091 /nfs/dbraw/zinc/50/30/91/746503091.db2.gz UHFPFJLJWKJIDE-SNVBAGLBSA-N 0 0 365.207 2.611 20 10 FFCDRN Cc1nc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(C)s1 ZINC000837709288 746503448 /nfs/dbraw/zinc/50/34/48/746503448.db2.gz QYGBFQQEQRLAOM-UHFFFAOYSA-N 0 0 367.421 2.805 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000838515579 746656506 /nfs/dbraw/zinc/65/65/06/746656506.db2.gz XNENWUMVESWTSF-ZJUUUORDSA-N 0 0 369.434 2.580 20 10 FFCDRN CC(C)(NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C(F)F ZINC000838740813 746703951 /nfs/dbraw/zinc/70/39/51/746703951.db2.gz YJCRWFIIJKGACM-UHFFFAOYSA-N 0 0 363.355 2.644 20 10 FFCDRN CCNS(=O)(=O)c1cccc(C[NH2+]Cc2cccc(Cl)c2[O-])c1 ZINC000839148176 746788174 /nfs/dbraw/zinc/78/81/74/746788174.db2.gz GJCZGZNYUJBQTP-UHFFFAOYSA-N 0 0 354.859 2.634 20 10 FFCDRN CC(C)(C[NH2+]Cc1c([O-])ccc(Cl)c1F)[C@@H]1COCC12OCCO2 ZINC000839176448 746794162 /nfs/dbraw/zinc/79/41/62/746794162.db2.gz VDLPBFQGTJVOIH-AWEZNQCLSA-N 0 0 359.825 2.690 20 10 FFCDRN CC(C)NC(=O)CSc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000839453566 746831287 /nfs/dbraw/zinc/83/12/87/746831287.db2.gz VZXACQRSDVVKDR-STQMWFEESA-N 0 0 350.509 2.633 20 10 FFCDRN CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000839889402 746954849 /nfs/dbraw/zinc/95/48/49/746954849.db2.gz FFJGYAIRLJCUBS-KGLIPLIRSA-N 0 0 354.472 2.708 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CNC(=O)c1ccsc1 ZINC000839919922 746960785 /nfs/dbraw/zinc/96/07/85/746960785.db2.gz XFUWHGMHHPNHFJ-AWEZNQCLSA-N 0 0 359.495 2.600 20 10 FFCDRN Cc1cc(C(F)(F)F)c(=O)n(CN(C)Cc2ccc(N(C)C)cc2)n1 ZINC000839953154 746967664 /nfs/dbraw/zinc/96/76/64/746967664.db2.gz PCJCYBJAYBAZJQ-UHFFFAOYSA-N 0 0 354.376 2.726 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCOCC(F)(F)F ZINC000840251339 747048447 /nfs/dbraw/zinc/04/84/47/747048447.db2.gz JOMSHEDIBJPGBP-CYBMUJFWSA-N 0 0 361.408 2.870 20 10 FFCDRN CO[C@@H](CNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C(F)(F)F ZINC000840298447 747059029 /nfs/dbraw/zinc/05/90/29/747059029.db2.gz VLSIIPIFQPLPNN-DOMZBBRYSA-N 0 0 361.408 2.869 20 10 FFCDRN CSc1cncc(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000840325930 747065641 /nfs/dbraw/zinc/06/56/41/747065641.db2.gz OTHNVYMVOMIPQP-UHFFFAOYSA-N 0 0 352.410 2.925 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](CO)CC(F)(F)F ZINC000840481481 747103997 /nfs/dbraw/zinc/10/39/97/747103997.db2.gz JGQZNPLELLPVOC-GXTWGEPZSA-N 0 0 361.408 2.605 20 10 FFCDRN COc1cc(Cl)cc(CNCc2ccccc2S(C)(=O)=O)c1O ZINC000840961232 747243790 /nfs/dbraw/zinc/24/37/90/747243790.db2.gz DFOJIEWFCPIZCK-UHFFFAOYSA-N 0 0 355.843 2.748 20 10 FFCDRN COc1c(O)c(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000840997729 747252920 /nfs/dbraw/zinc/25/29/20/747252920.db2.gz HXUYOTRDDCLSEE-JKOKRWQUSA-N 0 0 350.371 2.527 20 10 FFCDRN CCn1nncc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O ZINC000841487437 747366528 /nfs/dbraw/zinc/36/65/28/747366528.db2.gz OEFHJHWSYAJBNT-NTEUORMPSA-N 0 0 359.480 2.770 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(CC(F)F)C2)cc1 ZINC000841583774 747412760 /nfs/dbraw/zinc/41/27/60/747412760.db2.gz WNAGTPZLRZZVKP-HNNXBMFYSA-N 0 0 354.445 2.671 20 10 FFCDRN CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841743928 747446808 /nfs/dbraw/zinc/44/68/08/747446808.db2.gz DKEUJLVNJMBJJQ-LBPRGKRZSA-N 0 0 360.907 2.900 20 10 FFCDRN CCS[C@H](C)c1noc(CN(C)C(=O)NCCc2ccc(N)cc2)n1 ZINC000841960714 747492855 /nfs/dbraw/zinc/49/28/55/747492855.db2.gz VJWKSBNJMHZYHJ-GFCCVEGCSA-N 0 0 363.487 2.850 20 10 FFCDRN C[C@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2nccn21 ZINC000842256109 747557858 /nfs/dbraw/zinc/55/78/58/747557858.db2.gz GHDZYULCDHAWQF-GWCFXTLKSA-N 0 0 360.801 2.712 20 10 FFCDRN C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cc(Br)c(F)cc1[O-] ZINC000842904247 747717136 /nfs/dbraw/zinc/71/71/36/747717136.db2.gz UARKQYXRIXFOCG-SECBINFHSA-N 0 0 357.227 2.706 20 10 FFCDRN Cc1cc(C(=O)NCCCCO)c(C)n1-c1ccc(Br)cn1 ZINC000843868447 747916117 /nfs/dbraw/zinc/91/61/17/747916117.db2.gz DAJRDIUTNZWVHA-UHFFFAOYSA-N 0 0 366.259 2.754 20 10 FFCDRN C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C[C@H]1C(=O)OC(C)(C)C ZINC000844146894 747978370 /nfs/dbraw/zinc/97/83/70/747978370.db2.gz LGEVHEITLCWYBC-WDEREUQCSA-N 0 0 353.390 2.677 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cnc(OC)c(Cl)c2)cc1 ZINC000844854470 748117246 /nfs/dbraw/zinc/11/72/46/748117246.db2.gz AUCZNBVGOYIIEQ-UHFFFAOYSA-N 0 0 363.845 2.961 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCCc2csc(C)n2)cc1 ZINC000844869682 748121164 /nfs/dbraw/zinc/12/11/64/748121164.db2.gz UPVWQLVMOWIEIO-UHFFFAOYSA-N 0 0 362.499 2.780 20 10 FFCDRN CN(C(=O)CNC(=O)NCc1cc(Cl)ccc1O)C1CCCCC1 ZINC000845022064 748163364 /nfs/dbraw/zinc/16/33/64/748163364.db2.gz MLTDMILJLSNYLJ-UHFFFAOYSA-N 0 0 353.850 2.636 20 10 FFCDRN C[C@@H](COCC1CC1)NC(=O)NCc1cc(Br)ccc1O ZINC000845588727 748288099 /nfs/dbraw/zinc/28/80/99/748288099.db2.gz XQRFLYWRZSQJQU-JTQLQIEISA-N 0 0 357.248 2.769 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CC(F)(F)CNC(=O)OC(C)(C)C ZINC000845790911 748326298 /nfs/dbraw/zinc/32/62/98/748326298.db2.gz GQQYAEAFSOUKDE-UHFFFAOYSA-N 0 0 358.385 2.901 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)c2cccnc2Cl)cc1 ZINC000845987109 748375459 /nfs/dbraw/zinc/37/54/59/748375459.db2.gz FHRQJQKKGONSKP-UHFFFAOYSA-N 0 0 369.874 2.501 20 10 FFCDRN CCOc1cccc(CN[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c1O ZINC000846110016 748409239 /nfs/dbraw/zinc/40/92/39/748409239.db2.gz WFCIJLKKLDYJEZ-UNEWFSDZSA-N 0 0 351.443 2.627 20 10 FFCDRN C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000846214283 748431827 /nfs/dbraw/zinc/43/18/27/748431827.db2.gz UYFVVTLVBXHBDO-BMIGLBTASA-N 0 0 362.239 2.876 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000846250685 748441329 /nfs/dbraw/zinc/44/13/29/748441329.db2.gz QJXWJNNWSKSOIP-ZWKOTPCHSA-N 0 0 370.852 2.952 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc([S@@](C)=O)cc2)cc1 ZINC000846446186 748480876 /nfs/dbraw/zinc/48/08/76/748480876.db2.gz JVDCJAOOLCENNG-RUZDIDTESA-N 0 0 360.479 2.641 20 10 FFCDRN CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2cc(Cl)ccc2O)C1 ZINC000846474620 748488447 /nfs/dbraw/zinc/48/84/47/748488447.db2.gz XANOVKMOWQUKDW-CYBMUJFWSA-N 0 0 366.845 2.919 20 10 FFCDRN CSc1nc(C)c(CCC(=O)NCc2cc(Cl)ccc2O)c(=O)[nH]1 ZINC000846479551 748489534 /nfs/dbraw/zinc/48/95/34/748489534.db2.gz MUBBUQSDONNDGK-UHFFFAOYSA-N 0 0 367.858 2.821 20 10 FFCDRN COc1ccc(CNC(=O)CN(C(=O)OC(C)(C)C)C(C)C)c(O)c1 ZINC000846949928 748583770 /nfs/dbraw/zinc/58/37/70/748583770.db2.gz KSLUMMKFIXTKEZ-UHFFFAOYSA-N 0 0 352.431 2.663 20 10 FFCDRN CN(Cc1cnn(C)c1)C(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846990988 748593646 /nfs/dbraw/zinc/59/36/46/748593646.db2.gz HPKDPTXXCQVLPH-UHFFFAOYSA-N 0 0 355.467 2.638 20 10 FFCDRN CC(C)(C)[C@H](CNC(=O)C1=CC(=O)CS1)NC(=O)C1=CC(=O)CS1 ZINC000847121488 748625960 /nfs/dbraw/zinc/62/59/60/748625960.db2.gz KLNFZPJKGGMISZ-ZDUSSCGKSA-N 0 0 368.480 2.795 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C[C@@H]2CCCO2)C(F)(F)F)c1 ZINC000847247704 748660408 /nfs/dbraw/zinc/66/04/08/748660408.db2.gz SUJMQBZNFFJRPB-JSGCOSHPSA-N 0 0 362.348 2.700 20 10 FFCDRN CCn1cnnc1CN[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848520218 748948237 /nfs/dbraw/zinc/94/82/37/748948237.db2.gz XBTORIDVJLFUTH-VIFPVBQESA-N 0 0 355.236 2.626 20 10 FFCDRN C[C@@H](C[NH2+]Cc1cccc(Br)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848562003 748960841 /nfs/dbraw/zinc/96/08/41/748960841.db2.gz FFISMZNMSQPVGC-RWMBFGLXSA-N 0 0 357.292 2.742 20 10 FFCDRN CCc1cccc(CNc2ccc(F)c(S(=O)(=O)N(C)C)c2)c1O ZINC000848919752 749034775 /nfs/dbraw/zinc/03/47/75/749034775.db2.gz RLSRTAFCOMEUBK-UHFFFAOYSA-N 0 0 352.431 2.956 20 10 FFCDRN C[C@@H](CC(F)(F)F)CS(=O)(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000849372834 749117161 /nfs/dbraw/zinc/11/71/61/749117161.db2.gz VHJWYMCYGCJIJP-JTQLQIEISA-N 0 0 356.385 2.900 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(F)cc3F)C2)cc1 ZINC000849416867 749143534 /nfs/dbraw/zinc/14/35/34/749143534.db2.gz YGTBLHAQTBMBIZ-ZDUSSCGKSA-N 0 0 368.405 2.531 20 10 FFCDRN CC(=O)NC(=O)CSc1ncc(-c2ccccc2)n1CC(F)(F)F ZINC000849881071 749251008 /nfs/dbraw/zinc/25/10/08/749251008.db2.gz MUXCHMSYHOOHFR-UHFFFAOYSA-N 0 0 357.357 2.867 20 10 FFCDRN O=C(CSc1ncc(Cl)s1)NC[C@@H]1COc2ccccc2O1 ZINC000849999305 749279913 /nfs/dbraw/zinc/27/99/13/749279913.db2.gz XZGOIGLXECDZHW-SECBINFHSA-N 0 0 356.856 2.845 20 10 FFCDRN COC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])C1CCOCC1 ZINC000850351003 749349375 /nfs/dbraw/zinc/34/93/75/749349375.db2.gz JRKROWSAGPAJIS-HNNXBMFYSA-N 0 0 358.276 2.994 20 10 FFCDRN COc1cc(Br)cc(CN[C@@H]2C[C@@H](C)n3ncnc32)c1O ZINC000850351715 749349699 /nfs/dbraw/zinc/34/96/99/749349699.db2.gz GYPOVRBWLFUZNI-LDYMZIIASA-N 0 0 353.220 2.550 20 10 FFCDRN CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000850354196 749350370 /nfs/dbraw/zinc/35/03/70/749350370.db2.gz XWFCLRKDARRYFF-KYOSRNDESA-N 0 0 358.276 2.810 20 10 FFCDRN COc1cc(F)ccc1S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000851754409 749662276 /nfs/dbraw/zinc/66/22/76/749662276.db2.gz ZTCVZLGRUBNQSA-UHFFFAOYSA-N 0 0 352.431 2.721 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc(N)cc2F)cc1 ZINC000851756661 749663526 /nfs/dbraw/zinc/66/35/26/749663526.db2.gz NMBQXKLKPAXVKN-UHFFFAOYSA-N 0 0 363.458 2.827 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(N)cc2F)cc1F ZINC000851761048 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C[C@@H]1CCC[C@@H](CNC(=O)NCc2cc(Br)ccc2O)O1 ZINC000852579620 749896078 /nfs/dbraw/zinc/89/60/78/749896078.db2.gz BHDQAJFIDGRUCB-MFKMUULPSA-N 0 0 357.248 2.912 20 10 FFCDRN CCOC(=O)c1cnc(Sc2nnc(-c3cnccn3)n2CC)s1 ZINC000853450111 750060969 /nfs/dbraw/zinc/06/09/69/750060969.db2.gz YVVHJBYUGLWVKG-UHFFFAOYSA-N 0 0 362.440 2.539 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCOc2ccc(O)cc2C1 ZINC000853859471 750184231 /nfs/dbraw/zinc/18/42/31/750184231.db2.gz WAYAOSZRTXTODP-UHFFFAOYSA-N 0 0 365.480 2.935 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCO[C@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000853998577 750222190 /nfs/dbraw/zinc/22/21/90/750222190.db2.gz ZSQYWPWKWDRSSS-NBUZRDOWSA-N 0 0 356.325 2.641 20 10 FFCDRN CC(=O)N[C@H](CCC(C)C)C(=O)NCc1cc(Br)ccc1O ZINC000854442089 750309153 /nfs/dbraw/zinc/30/91/53/750309153.db2.gz GNFDCICDYIZIJR-CQSZACIVSA-N 0 0 371.275 2.712 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3cc(C)cs3)CC2)cc1 ZINC000049512199 845187656 /nfs/dbraw/zinc/18/76/56/845187656.db2.gz WHEVOYFEKQKTMD-UHFFFAOYSA-N 0 0 359.495 2.617 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC2CCN(CC(F)(F)F)CC2)cc1 ZINC000062648635 845453303 /nfs/dbraw/zinc/45/33/03/845453303.db2.gz SYLRHAAATGFWDK-UHFFFAOYSA-N 0 0 358.408 2.579 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccc(F)cc1[O-] ZINC000397412208 845867645 /nfs/dbraw/zinc/86/76/45/845867645.db2.gz VEEYRJOZMGFIFV-OCCSQVGLSA-N 0 0 354.422 2.818 20 10 FFCDRN COc1cccc(CN[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)c1O ZINC000401636910 845878111 /nfs/dbraw/zinc/87/81/11/845878111.db2.gz DKNMSYBBYLQWDA-LBPRGKRZSA-N 0 0 364.364 2.946 20 10 FFCDRN O=C(CC[C@@H]1CC[C@H](C2OCCO2)O1)NCc1ccc(N2CCCC2)cc1 ZINC000895710592 970872408 /nfs/dbraw/zinc/87/24/08/970872408.db2.gz JLJWLIRBBMEBLO-RBUKOAKNSA-N 0 0 374.481 2.604 20 10 FFCDRN CC1CCC2(CC1)OC[C@H](CNC(=O)NCc1ccc(N(C)C)cc1)O2 ZINC000181052685 970883596 /nfs/dbraw/zinc/88/35/96/970883596.db2.gz NFWDCWLPUXOYGI-VDUSKEEQSA-N 0 0 361.486 2.874 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(NC(=O)CC2CCCC2)CC1 ZINC000181059758 970884276 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C[C@@H]1C[C@H](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)[C@H](C)O1 ZINC000840437605 971305465 /nfs/dbraw/zinc/30/54/65/971305465.db2.gz WWUOMXNPUHAZIQ-CYGHRXIMSA-N 0 0 362.470 2.896 20 10 FFCDRN O=C(NC[C@@H]1CC[C@@H](O)C1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888587145 1013070260 /nfs/dbraw/zinc/07/02/60/1013070260.db2.gz BJPVSNWITKWUQE-ZIAGYGMSSA-N 0 0 351.410 2.679 20 10 FFCDRN CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccc1O ZINC000725896077 971339646 /nfs/dbraw/zinc/33/96/46/971339646.db2.gz XXCTXPNVYNLSTO-SFHVURJKSA-N 0 0 356.422 2.959 20 10 FFCDRN CC(C)Nc1ccccc1NCC(=O)N1CCC(C(=O)N2CCCC2)CC1 ZINC000871845929 1013083982 /nfs/dbraw/zinc/08/39/82/1013083982.db2.gz NSNABFFSMVNOIT-UHFFFAOYSA-N 0 0 372.513 2.780 20 10 FFCDRN O=C([O-])c1ccccc1C1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC001595253829 949568397 /nfs/dbraw/zinc/56/83/97/949568397.db2.gz CNNIISZDTNCLSW-LJQANCHMSA-N 0 0 369.417 2.896 20 10 FFCDRN O=C(C[C@@H]1NC(=O)c2ccccc21)NCc1c(O)ccc2c1CCCC2 ZINC000896691217 971663368 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FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)Cc2cc[nH]n2)CCCC1 ZINC000649724320 960038746 /nfs/dbraw/zinc/03/87/46/960038746.db2.gz BVXQVTOLCHRNNF-UHFFFAOYSA-N 0 0 352.438 2.910 20 10 FFCDRN COc1ccc(CN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000007219253 960431834 /nfs/dbraw/zinc/43/18/34/960431834.db2.gz LSDSUVZNMFQKHA-UHFFFAOYSA-N 0 0 373.472 2.991 20 10 FFCDRN Cc1c(C(=O)NCc2cc(C)ccc2O)nnn1-c1ccc(F)c(F)c1 ZINC001167293929 961081844 /nfs/dbraw/zinc/08/18/44/961081844.db2.gz UZWUGXZQZAVNGQ-UHFFFAOYSA-N 0 0 358.348 2.798 20 10 FFCDRN COc1ccc(N2CC[C@H](CNc3nc(Cl)nc4c3cnn4C)C2)cc1 ZINC000872575473 1013228662 /nfs/dbraw/zinc/22/86/62/1013228662.db2.gz WQXHWJDOELYSHS-GFCCVEGCSA-N 0 0 372.860 2.964 20 10 FFCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cc(Br)ccc1N ZINC001174562739 1013259255 /nfs/dbraw/zinc/25/92/55/1013259255.db2.gz QOADIIRZAPARIN-UHFFFAOYSA-N 0 0 357.229 2.846 20 10 FFCDRN C[C@H](NC(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1ccc(N(C)C)cc1 ZINC000773390161 1013266395 /nfs/dbraw/zinc/26/63/95/1013266395.db2.gz 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CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875573721 1014048095 /nfs/dbraw/zinc/04/80/95/1014048095.db2.gz VERAMRNSXSDLIE-ZDUSSCGKSA-N 0 0 374.462 2.972 20 10 FFCDRN CCOC(=O)C1CCC(NC(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000125337214 973538348 /nfs/dbraw/zinc/53/83/48/973538348.db2.gz ZNQMSEHBIZAIFR-UHFFFAOYSA-N 0 0 365.449 2.813 20 10 FFCDRN O=C1CCc2c1cccc2-c1noc([C@@H](O)Cc2ccc(O)c(O)c2)n1 ZINC001211665584 974063765 /nfs/dbraw/zinc/06/37/65/974063765.db2.gz UZALUVJBOMXXQZ-KRWDZBQOSA-N 0 0 352.346 2.553 20 10 FFCDRN Oc1ccc(C[C@H](O)c2nc(-c3cc(F)cc(F)c3F)no2)cc1O ZINC001211665615 974066565 /nfs/dbraw/zinc/06/65/65/974066565.db2.gz VHXSZSHTBQUWIX-ZDUSSCGKSA-N 0 0 352.268 2.841 20 10 FFCDRN CCOc1cc(-c2noc([C@@H](O)Cc3ccc(O)c(O)c3)n2)ccc1OC ZINC001211665686 974070289 /nfs/dbraw/zinc/07/02/89/974070289.db2.gz VXTLIXSXKLRLRZ-HNNXBMFYSA-N 0 0 372.377 2.831 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)ccc1F ZINC000728819084 974084378 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FFCDRN Cc1cnc(C)c(NC(=O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000845990043 1000190314 /nfs/dbraw/zinc/19/03/14/1000190314.db2.gz LRQWJDMVQITEKF-HNNXBMFYSA-N 0 0 368.481 2.759 20 10 FFCDRN CC(=O)N1CCCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000768215338 1000196011 /nfs/dbraw/zinc/19/60/11/1000196011.db2.gz DEKJEIZGYPWFPF-UHFFFAOYSA-N 0 0 360.458 2.639 20 10 FFCDRN CCOc1cccc(CN2CCN(C(=O)c3ccccc3OC)CC2)c1O ZINC000768252496 1000200523 /nfs/dbraw/zinc/20/05/23/1000200523.db2.gz QFQJJJSPLGQYDF-UHFFFAOYSA-N 0 0 370.449 2.758 20 10 FFCDRN COc1cccc([C@@H](C)[NH2+]Cc2nnc(COc3ccccc3)[n-]2)c1O ZINC000846165222 1000213971 /nfs/dbraw/zinc/21/39/71/1000213971.db2.gz UICKRRYKZDBQCK-CYBMUJFWSA-N 0 0 354.410 2.949 20 10 FFCDRN C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846252226 1000245342 /nfs/dbraw/zinc/24/53/42/1000245342.db2.gz WDKFGRCTWWMEKT-WFASDCNBSA-N 0 0 352.394 2.511 20 10 FFCDRN CCn1c([C@H]2CCCO2)nnc1N(C)CCN(C)c1ccc(OC)cc1 ZINC000846304822 1000263825 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NC(=O)c1cc(Oc2cccc(NC(=O)c3cccc(O)c3O)c2)ccn1 ZINC001148218372 1001069652 /nfs/dbraw/zinc/06/96/52/1001069652.db2.gz ABUQOWPLAIVHTO-UHFFFAOYSA-N 0 0 365.345 2.636 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)c1cccc(O)c1O ZINC001148224599 1001075161 /nfs/dbraw/zinc/07/51/61/1001075161.db2.gz QMJHCLMHECIYBI-AWEZNQCLSA-N 0 0 363.797 2.655 20 10 FFCDRN O=C(c1cc(O)c(O)c(O)c1)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 ZINC001148583120 1001174637 /nfs/dbraw/zinc/17/46/37/1001174637.db2.gz UKBZQFKTOLYTTO-HRAATJIYSA-N 0 0 369.417 2.982 20 10 FFCDRN O=C(Nc1nc2[nH]ccc2cc1Br)c1cc(O)c(O)c(O)c1 ZINC001148583314 1001175365 /nfs/dbraw/zinc/17/53/65/1001175365.db2.gz XTNPLAWIFQRGMK-UHFFFAOYSA-N 0 0 364.155 2.646 20 10 FFCDRN O=C(c1cc(O)c(O)c(O)c1)N1C[C@@H]2C[C@H]1CN2c1ccccc1Cl ZINC001148587273 1001176888 /nfs/dbraw/zinc/17/68/88/1001176888.db2.gz GLTWBQOBLXWYJH-RYUDHWBXSA-N 0 0 360.797 2.560 20 10 FFCDRN COc1cccnc1NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000771790641 1001204209 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CC(C)(C)OC(=O)N1CCC(C)(CNC(=O)c2cccc(O)c2O)CC1 ZINC000790927664 1002513385 /nfs/dbraw/zinc/51/33/85/1002513385.db2.gz MHJZVENDAICGSM-UHFFFAOYSA-N 0 0 364.442 2.865 20 10 FFCDRN CC[C@@H](C)C(=O)C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001184322750 1002568817 /nfs/dbraw/zinc/56/88/17/1002568817.db2.gz SOTHLGBODFFYOE-GFCCVEGCSA-N 0 0 358.360 2.849 20 10 FFCDRN C[C@@]1(C(=O)N2CCN(c3ccc(OC(F)(F)F)cc3)CC2)CCOC1 ZINC001184392904 1002587164 /nfs/dbraw/zinc/58/71/64/1002587164.db2.gz SJOUCDPXVAKMKC-MRXNPFEDSA-N 0 0 358.360 2.660 20 10 FFCDRN Cc1cc(C(=O)Nc2ccc(-n3cncn3)cn2)c(C)n1-c1ccccn1 ZINC000791298597 1002637480 /nfs/dbraw/zinc/63/74/80/1002637480.db2.gz ZRBJIWBHQUIPHG-UHFFFAOYSA-N 0 0 359.393 2.717 20 10 FFCDRN C[C@@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H]1C ZINC000774753244 1002649908 /nfs/dbraw/zinc/64/99/08/1002649908.db2.gz IQJFNIXJGDBALR-MDZRGWNJSA-N 0 0 355.482 2.620 20 10 FFCDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(F)cc1F ZINC000772774685 1002729670 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O=C(CNc1cccn(Cc2ccccc2)c1=O)c1ccc(O)c(O)c1 ZINC001170320740 1003108783 /nfs/dbraw/zinc/10/87/83/1003108783.db2.gz LQCILGBXQXRRCS-UHFFFAOYSA-N 0 0 350.374 2.603 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2ccccc2Cn2cccn2)ccc1[N+](=O)[O-] ZINC000774966153 1003158555 /nfs/dbraw/zinc/15/85/55/1003158555.db2.gz LEBHONYLXJXHPD-UHFFFAOYSA-N 0 0 368.393 2.844 20 10 FFCDRN CCn1ncnc1CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000792799797 1003183333 /nfs/dbraw/zinc/18/33/33/1003183333.db2.gz RFCLEEOVTQBIRJ-UHFFFAOYSA-N 0 0 366.469 2.747 20 10 FFCDRN CN(C)c1ccc(CN2CCN(c3ncccn3)CC2)c(C(F)(F)F)c1 ZINC000792768238 1003186510 /nfs/dbraw/zinc/18/65/10/1003186510.db2.gz YNEQSPOZZVLGEQ-UHFFFAOYSA-N 0 0 365.403 2.884 20 10 FFCDRN COc1ccc(CNC(=O)NCC2(c3ccccc3)CCOCC2)c(O)c1 ZINC000792833536 1003198814 /nfs/dbraw/zinc/19/88/14/1003198814.db2.gz DAGFTLAUQXHDHY-UHFFFAOYSA-N 0 0 370.449 2.948 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)c(O)c1 ZINC000792872868 1003215355 /nfs/dbraw/zinc/21/53/55/1003215355.db2.gz 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CCN(C)c1ccc([C@@H](C)Nc2cccc(C(=O)N(C)CC(N)=O)c2)cc1 ZINC000793563833 1003425011 /nfs/dbraw/zinc/42/50/11/1003425011.db2.gz JAOXZCSFLMGHHW-OAHLLOKOSA-N 0 0 368.481 2.873 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)N[C@@H]2CCc3n[nH]cc3C2)c1 ZINC001186848178 1003435407 /nfs/dbraw/zinc/43/54/07/1003435407.db2.gz CXBIOWQPUSXHMD-OAHLLOKOSA-N 0 0 350.422 2.810 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N[C@@H](C)COc1ccccc1)c1ccc(N(C)C)cc1 ZINC000793688552 1003466652 /nfs/dbraw/zinc/46/66/52/1003466652.db2.gz UWHFCXYEZYMJPB-JKSUJKDBSA-N 0 0 369.465 2.514 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COC(=O)[C@H]3C[C@]3(C)C(C)C)CC2)cc1 ZINC000775075468 1003514285 /nfs/dbraw/zinc/51/42/85/1003514285.db2.gz MMPCHHNMEYLQSV-WIYYLYMNSA-N 0 0 374.481 2.569 20 10 FFCDRN Cc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000793860489 1003517606 /nfs/dbraw/zinc/51/76/06/1003517606.db2.gz WYACZJVPNZEWBD-CQSZACIVSA-N 0 0 371.506 2.933 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(F)c(N2CCOC2=O)c1 ZINC000794100080 1003564103 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CCC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccccn1 ZINC000804703908 1003807998 /nfs/dbraw/zinc/80/79/98/1003807998.db2.gz BKNGJFFOKYWTRM-HNAYVOBHSA-N 0 0 368.481 2.982 20 10 FFCDRN CCc1nc(C)ncc1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC001129993513 1003890578 /nfs/dbraw/zinc/89/05/78/1003890578.db2.gz VIILJKILQRLBEE-HNNXBMFYSA-N 0 0 354.454 2.612 20 10 FFCDRN CCc1nc(C)ncc1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001129993514 1003890845 /nfs/dbraw/zinc/89/08/45/1003890845.db2.gz VIILJKILQRLBEE-OAHLLOKOSA-N 0 0 354.454 2.612 20 10 FFCDRN C[C@H](NC(=O)NC[C@H]1CCOC[C@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000804988923 1003915874 /nfs/dbraw/zinc/91/58/74/1003915874.db2.gz JYYQPTPIPXHMPW-SOLBZPMBSA-N 0 0 361.486 2.556 20 10 FFCDRN Cc1nnnn1-c1cccc(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775486490 1003967255 /nfs/dbraw/zinc/96/72/55/1003967255.db2.gz BXNNLQNRTCJRES-CYBMUJFWSA-N 0 0 365.441 2.919 20 10 FFCDRN Nc1c(C(=O)OCCOC2CCC2)ccc2c1C(=O)c1ccccc1C2=O ZINC000805337624 1003998561 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FFCDRN CCN(CC)c1ccc(CN(C)C(=O)N=c2ccnc3n(C)[nH]cc2-3)cc1 ZINC000806493320 1004332103 /nfs/dbraw/zinc/33/21/03/1004332103.db2.gz WSWNXBYKUVIBMX-UHFFFAOYSA-N 0 0 366.469 2.852 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ccc[nH]1 ZINC000806524912 1004354165 /nfs/dbraw/zinc/35/41/65/1004354165.db2.gz OLCWSFPFCMUXAX-OAHLLOKOSA-N 0 0 356.470 2.695 20 10 FFCDRN CN(C)c1ccc(-c2nc(C(=O)N3CCc4nccn4CC3)cs2)cc1 ZINC001193174573 1004386109 /nfs/dbraw/zinc/38/61/09/1004386109.db2.gz SHDKGLQIAVBMLB-UHFFFAOYSA-N 0 0 367.478 2.771 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)c1 ZINC000775578083 1004397376 /nfs/dbraw/zinc/39/73/76/1004397376.db2.gz HRSQZPWMIMUDSW-KCQAQPDRSA-N 0 0 364.442 2.696 20 10 FFCDRN O=C(Nc1ncc(O)cc1Br)c1ccc(O)c(O)c1Cl ZINC001193219675 1004407367 /nfs/dbraw/zinc/40/73/67/1004407367.db2.gz LXIIPFMORRAVGM-UHFFFAOYSA-N 0 0 359.563 2.867 20 10 FFCDRN CCN(C)C(=O)c1cccc(NC(=O)NCc2cccc(OC)c2O)c1 ZINC000806775489 1004410216 /nfs/dbraw/zinc/41/02/16/1004410216.db2.gz BVRHKUMKRJLDKL-UHFFFAOYSA-N 0 0 357.410 2.814 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000806870818 1004444862 /nfs/dbraw/zinc/44/48/62/1004444862.db2.gz URQXVRPRCOFTGV-DLBZAZTESA-N 0 0 367.493 2.986 20 10 FFCDRN CCc1cc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)ccc1F ZINC000806885973 1004450790 /nfs/dbraw/zinc/45/07/90/1004450790.db2.gz KICRDRXZVKHDNY-LLVKDONJSA-N 0 0 360.385 2.918 20 10 FFCDRN Cc1ccc(CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)C2CC2)o1 ZINC000807095978 1004507095 /nfs/dbraw/zinc/50/70/95/1004507095.db2.gz GGCONRSDHXINDM-UHFFFAOYSA-N 0 0 369.465 2.770 20 10 FFCDRN Cc1c(C(=O)N(C)C[C@H](O)CO)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193559729 1004521098 /nfs/dbraw/zinc/52/10/98/1004521098.db2.gz NZJBWDXJNODZMA-IBGZPJMESA-N 0 0 364.445 2.878 20 10 FFCDRN CCOC(=O)C[C@H]1CCN(C(=O)c2cc(O)c([O-])c(Cl)c2)C[C@@H]1C ZINC001193612763 1004523707 /nfs/dbraw/zinc/52/37/07/1004523707.db2.gz SJEDWSWPBGSKSG-WDEREUQCSA-N 0 0 355.818 2.803 20 10 FFCDRN CCC1(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCCC1 ZINC000807289201 1004549101 /nfs/dbraw/zinc/54/91/01/1004549101.db2.gz LSPNSDJUGYRAKG-UHFFFAOYSA-N 0 0 355.482 2.766 20 10 FFCDRN Cc1cccc([C@@H](C)CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000807471345 1004598596 /nfs/dbraw/zinc/59/85/96/1004598596.db2.gz XXWNILKSQOGURJ-KRWDZBQOSA-N 0 0 367.493 2.939 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)COC2 ZINC000747411870 1004647474 /nfs/dbraw/zinc/64/74/74/1004647474.db2.gz INUYOCKQFDMEDP-UHFFFAOYSA-N 0 0 352.434 2.826 20 10 FFCDRN C[C@H](NC(=O)C(=O)N1CC[C@H](C)C2(CCC2)C1)c1ccc(N(C)C)cc1 ZINC000807675416 1004658400 /nfs/dbraw/zinc/65/84/00/1004658400.db2.gz XJBBPOAEQFVOMQ-HOTGVXAUSA-N 0 0 357.498 2.969 20 10 FFCDRN C[C@H](NC(=O)C(=O)N(C)[C@@H](C)c1ccccn1)c1ccc(N(C)C)cc1 ZINC000807674656 1004658452 /nfs/dbraw/zinc/65/84/52/1004658452.db2.gz OSZGVKCEFZJOBN-GJZGRUSLSA-N 0 0 354.454 2.544 20 10 FFCDRN Cc1cc(F)ccc1CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807673893 1004658712 /nfs/dbraw/zinc/65/87/12/1004658712.db2.gz AZRIVNCXTZSWDG-OAHLLOKOSA-N 0 0 371.456 2.736 20 10 FFCDRN CC(=O)NCC[C@H]1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000807848488 1004699572 /nfs/dbraw/zinc/69/95/72/1004699572.db2.gz XDMFPNYMDORSGV-GOSISDBHSA-N 0 0 368.481 2.868 20 10 FFCDRN CCOc1cc(C(=O)NCc2cc(Cl)c3cccnc3c2O)cnn1 ZINC001194461468 1004731811 /nfs/dbraw/zinc/73/18/11/1004731811.db2.gz HZAIBPGZQBMUKZ-UHFFFAOYSA-N 0 0 358.785 2.713 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000808094468 1004751492 /nfs/dbraw/zinc/75/14/92/1004751492.db2.gz QCFCIXFWCNYSPJ-INIZCTEOSA-N 0 0 373.449 2.543 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc2c1O[C@H](C)C(=O)N2 ZINC000808096290 1004752422 /nfs/dbraw/zinc/75/24/22/1004752422.db2.gz GFGQVIMDBWYVLN-LLVKDONJSA-N 0 0 361.394 2.527 20 10 FFCDRN Cc1cc(C(=O)NCCCc2cc(=O)[nH][nH]2)c(C)n1-c1ccccc1C ZINC000808258903 1004791761 /nfs/dbraw/zinc/79/17/61/1004791761.db2.gz ZZIPXYQOPALRNA-UHFFFAOYSA-N 0 0 352.438 2.788 20 10 FFCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cnn(CCF)c1 ZINC000808272895 1004794511 /nfs/dbraw/zinc/79/45/11/1004794511.db2.gz SGBXSPMLVHYUFG-UHFFFAOYSA-N 0 0 363.348 2.880 20 10 FFCDRN O=C(NCCc1cc(O)c(O)cc1O)c1ccc(-c2ccc(F)cc2)cn1 ZINC001194765450 1004814767 /nfs/dbraw/zinc/81/47/67/1004814767.db2.gz GDUSTRKVKNBIKK-UHFFFAOYSA-N 0 0 368.364 2.977 20 10 FFCDRN Cc1cn(C)nc1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001194838461 1004827074 /nfs/dbraw/zinc/82/70/74/1004827074.db2.gz GKQIWAKZIOOLCD-UHFFFAOYSA-N 0 0 368.359 2.590 20 10 FFCDRN O=S(=O)(NCc1cc2ccccc2cc1O)c1cccc2nccnc21 ZINC001195000553 1004868971 /nfs/dbraw/zinc/86/89/71/1004868971.db2.gz NMEGHQQHZSRLQM-UHFFFAOYSA-N 0 0 365.414 2.967 20 10 FFCDRN C[C@H](NC(=O)Nc1ccnc(C(=O)N(C)C)c1)c1ccc(N(C)C)cc1 ZINC000775627705 1004870830 /nfs/dbraw/zinc/87/08/30/1004870830.db2.gz WFPTUJDKXPGAFX-ZDUSSCGKSA-N 0 0 355.442 2.732 20 10 FFCDRN C[C@H](NC(=O)Nc1cnn(-c2ncccn2)c1)c1ccc(N(C)C)cc1 ZINC000775640384 1004899254 /nfs/dbraw/zinc/89/92/54/1004899254.db2.gz AXJXCOBWKFATSV-ZDUSSCGKSA-N 0 0 351.414 2.611 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)CCOc2ccccc2)cc1 ZINC000104971375 1004911525 /nfs/dbraw/zinc/91/15/25/1004911525.db2.gz QLTJRHNPAOQGRD-UHFFFAOYSA-N 0 0 370.449 2.723 20 10 FFCDRN COc1cc(NC(=S)NCc2ncc(F)cc2F)cc(OC)c1OC ZINC001199883125 1005051079 /nfs/dbraw/zinc/05/10/79/1005051079.db2.gz CMRVDLTXLZCKLU-UHFFFAOYSA-N 0 0 369.393 2.872 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(N(C)C)c1C ZINC000776042004 1005065043 /nfs/dbraw/zinc/06/50/43/1005065043.db2.gz NHXBOOSIZAXPAE-UHFFFAOYSA-N 0 0 368.481 2.690 20 10 FFCDRN Cn1cc([C@H](NC(=O)NCc2ccccc2O)c2ccc(F)cc2)cn1 ZINC000776127338 1005151927 /nfs/dbraw/zinc/15/19/27/1005151927.db2.gz NAUNONFVHXGPAN-GOSISDBHSA-N 0 0 354.385 2.854 20 10 FFCDRN CC(=O)NCCn1c2ccccc2nc1NC(=O)Nc1ccc(F)cc1 ZINC001202347312 1005337707 /nfs/dbraw/zinc/33/77/07/1005337707.db2.gz MVIJIOSGMOCYAL-UHFFFAOYSA-N 0 0 355.373 2.956 20 10 FFCDRN COC[C@H](OC)C(=O)OCC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000850197514 1005794391 /nfs/dbraw/zinc/79/43/91/1005794391.db2.gz AWWRJDPVTCYJKH-IBGZPJMESA-N 0 0 359.422 2.790 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C(F)F)nc2)cc1 ZINC000850344916 1005808926 /nfs/dbraw/zinc/80/89/26/1005808926.db2.gz BMGMMUYBHPNINJ-UHFFFAOYSA-N 0 0 362.380 2.682 20 10 FFCDRN OC1CCN(c2ccc(CNCc3cnn(-c4ccccc4)n3)cc2)CC1 ZINC000850405896 1005813542 /nfs/dbraw/zinc/81/35/42/1005813542.db2.gz JRJQOPXUYULOBF-UHFFFAOYSA-N 0 0 363.465 2.518 20 10 FFCDRN OC1CCN(c2ccc(CN[C@H](c3nc[nH]n3)c3ccccc3)cc2)CC1 ZINC000850568410 1005822985 /nfs/dbraw/zinc/82/29/85/1005822985.db2.gz XAOJRVWUGBOKPP-FQEVSTJZSA-N 0 0 363.465 2.645 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(OC)c(N)c3)C2)cc1 ZINC000850748356 1005835651 /nfs/dbraw/zinc/83/56/51/1005835651.db2.gz LAGSABYQDZRPFC-CQSZACIVSA-N 0 0 356.426 2.686 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccc(N)c(OC)c3)C2)cc1 ZINC000850748455 1005835690 /nfs/dbraw/zinc/83/56/90/1005835690.db2.gz NHKDRWUEVUCEEG-CQSZACIVSA-N 0 0 356.426 2.686 20 10 FFCDRN Cc1cc(N)cc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000851666592 1005904472 /nfs/dbraw/zinc/90/44/72/1005904472.db2.gz IXHLNVRYDMMHEX-UHFFFAOYSA-N 0 0 368.481 2.538 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000851905400 1005921621 /nfs/dbraw/zinc/92/16/21/1005921621.db2.gz FLLIJCQCGFRBMN-UHFFFAOYSA-N 0 0 369.465 2.656 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nn3cnc4ccccc43)C2)cc1 ZINC000851918836 1005922706 /nfs/dbraw/zinc/92/27/06/1005922706.db2.gz KBDBWZYZIJLARB-AWEZNQCLSA-N 0 0 351.410 2.577 20 10 FFCDRN CCc1nc(CNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000852076523 1005939642 /nfs/dbraw/zinc/93/96/42/1005939642.db2.gz JBARHOPEGVHGAA-UHFFFAOYSA-N 0 0 374.510 2.666 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCO[C@@H](C(C)C)C3)C2)cc1 ZINC000852235810 1005953870 /nfs/dbraw/zinc/95/38/70/1005953870.db2.gz AMOMWFXKWQMZTE-TXPKVOOTSA-N 0 0 361.486 2.777 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3CCO[C@@H](C(C)C)C3)C2)cc1 ZINC000852235809 1005953877 /nfs/dbraw/zinc/95/38/77/1005953877.db2.gz AMOMWFXKWQMZTE-JTDSTZFVSA-N 0 0 361.486 2.777 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@@]3(C)CCO[C@@H]3C3CC3)C2)cc1 ZINC000852254474 1005956456 /nfs/dbraw/zinc/95/64/56/1005956456.db2.gz CJAHNFMFYJGMRY-LDQXTDLNSA-N 0 0 373.497 2.778 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3CCO[C@@H](C4CC4)C3)C2)cc1 ZINC000852256104 1005957105 /nfs/dbraw/zinc/95/71/05/1005957105.db2.gz RJXLJEIYNBJYOO-TXPKVOOTSA-N 0 0 359.470 2.531 20 10 FFCDRN C[C@@H](NC(=O)C[C@@H](O)Cc1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000813424012 1005957549 /nfs/dbraw/zinc/95/75/49/1005957549.db2.gz DUGBUJHYQBNWFQ-UTKZUKDTSA-N 0 0 368.477 2.694 20 10 FFCDRN CCOC1CC(CCNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000852275895 1005960796 /nfs/dbraw/zinc/96/07/96/1005960796.db2.gz WIPYXYRRGZHAKL-KOHRHEQBSA-N 0 0 361.486 2.778 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCc3cccc(C)n3)C2)cc1 ZINC000852290078 1005963585 /nfs/dbraw/zinc/96/35/85/1005963585.db2.gz IIHMZCZGXCDIDN-QGZVFWFLSA-N 0 0 354.454 2.519 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2cc3ccccc3n(C)c2=O)cc1 ZINC000813561175 1005969687 /nfs/dbraw/zinc/96/96/87/1005969687.db2.gz SSBVHBYLXROAMJ-UHFFFAOYSA-N 0 0 364.449 2.604 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CCOC4(CCC4)C3)C2)cc1 ZINC000852370405 1005994524 /nfs/dbraw/zinc/99/45/24/1005994524.db2.gz YDCBJKPLJAEDGO-SJORKVTESA-N 0 0 373.497 2.922 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000852396217 1006005066 /nfs/dbraw/zinc/00/50/66/1006005066.db2.gz PNHIYLZAANLGOW-YLJYHZDGSA-N 0 0 373.497 2.778 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCCc3ncc(C)cc3C)C2)cc1 ZINC000852401450 1006006766 /nfs/dbraw/zinc/00/67/66/1006006766.db2.gz OWVVYJZUCIQRMO-KRWDZBQOSA-N 0 0 368.481 2.828 20 10 FFCDRN CCn1ccc(CN(C)C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000852451120 1006030949 /nfs/dbraw/zinc/03/09/49/1006030949.db2.gz DRYCLJWBEJVDMX-KRWDZBQOSA-N 0 0 356.470 2.937 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCCc3cnccc3C)C2)cc1 ZINC000852450707 1006031237 /nfs/dbraw/zinc/03/12/37/1006031237.db2.gz SQFCYHSVIQFACE-KRWDZBQOSA-N 0 0 354.454 2.519 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCC[C@H](O)c3ccccc3)C2)cc1 ZINC000852453252 1006034680 /nfs/dbraw/zinc/03/46/80/1006034680.db2.gz HRNHDHTVHRUCJT-PXNSSMCTSA-N 0 0 369.465 2.697 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@]4(CCCOC4)C3)C2)cc1 ZINC000852453558 1006034929 /nfs/dbraw/zinc/03/49/29/1006034929.db2.gz JPZPKKYBYNDLRF-LAUBAEHRSA-N 0 0 373.497 2.876 20 10 FFCDRN Cc1ccc(N2CC[C@H](n3cc(COc4ccc(N)cc4)nn3)C2=O)cc1 ZINC000881313683 1006040222 /nfs/dbraw/zinc/04/02/22/1006040222.db2.gz DUJDXACTGFJRGW-IBGZPJMESA-N 0 0 363.421 2.726 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](C)COc2c(F)cccc2F)c(O)c1 ZINC000852540685 1006072847 /nfs/dbraw/zinc/07/28/47/1006072847.db2.gz HHWXLYKUDDCQJN-NSHDSACASA-N 0 0 366.364 2.946 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@@H]3CCC[C@H](C)O3)CC2)cc1F ZINC000852579937 1006090107 /nfs/dbraw/zinc/09/01/07/1006090107.db2.gz LDZKAFGMBYEOMF-HOCLYGCPSA-N 0 0 365.449 2.624 20 10 FFCDRN COc1ccc2c(c1)N(CC(=O)NCc1ccc(N(C)C)cc1)CCC2 ZINC000852648758 1006125738 /nfs/dbraw/zinc/12/57/38/1006125738.db2.gz SGUIKEXISFNQMP-UHFFFAOYSA-N 0 0 353.466 2.830 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCOC(C3CC3)(C3CC3)C2)cc1 ZINC000852651620 1006125867 /nfs/dbraw/zinc/12/58/67/1006125867.db2.gz PJEXNFCERCYCRC-UHFFFAOYSA-N 0 0 371.525 2.602 20 10 FFCDRN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000852691603 1006142637 /nfs/dbraw/zinc/14/26/37/1006142637.db2.gz IZTYFNMTIXQPFN-SMNXXWJPSA-N 0 0 364.442 2.883 20 10 FFCDRN CC1(C)C=C(C(=O)NCc2ccccc2O)CN1C(=O)c1ccccc1 ZINC001187668043 1006191907 /nfs/dbraw/zinc/19/19/07/1006191907.db2.gz BZVHWMGDMBVRFD-UHFFFAOYSA-N 0 0 350.418 2.869 20 10 FFCDRN Nc1cccc(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1Cl ZINC000852868263 1006213584 /nfs/dbraw/zinc/21/35/84/1006213584.db2.gz BPMWWPULVNIYAC-UHFFFAOYSA-N 0 0 373.884 2.742 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000129237332 1006213963 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1026446133 /nfs/dbraw/zinc/44/61/33/1026446133.db2.gz YVOVUXBBNFDOME-QRQLOZEOSA-N 0 0 372.469 2.929 20 10 FFCDRN CNC(=O)C[C@@H](C)NC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000838698699 1026473100 /nfs/dbraw/zinc/47/31/00/1026473100.db2.gz WGPCQUOXGYYTMD-OAHLLOKOSA-N 0 0 372.469 2.582 20 10 FFCDRN CC[C@@H]1CCCN(C(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)C1 ZINC000839213194 1026621357 /nfs/dbraw/zinc/62/13/57/1026621357.db2.gz WGXMQLAEXNGFBH-AEFFLSMTSA-N 0 0 374.481 2.548 20 10 FFCDRN C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000839302324 1026643124 /nfs/dbraw/zinc/64/31/24/1026643124.db2.gz LJFIPHPDYVJMFA-HHXXYDBFSA-N 0 0 357.498 2.891 20 10 FFCDRN CCc1cnc(NC(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000839635414 1026767577 /nfs/dbraw/zinc/76/75/77/1026767577.db2.gz YPEITQIXQSHVHN-CYBMUJFWSA-N 0 0 374.510 2.766 20 10 FFCDRN COc1cc2c(c(OC)c1)N(Cc1nnnn1-c1ccccc1)CCC2 ZINC000839653908 1026776735 /nfs/dbraw/zinc/77/67/35/1026776735.db2.gz JREZPOBFMMYVBY-UHFFFAOYSA-N 0 0 351.410 2.632 20 10 FFCDRN COc1cc2c(c(OC)c1)N(CC(=O)N1CCO[C@@H]3CCCC[C@H]31)CCC2 ZINC000839656472 1026777537 /nfs/dbraw/zinc/77/75/37/1026777537.db2.gz MVQPANJUPNECET-QZTJIDSGSA-N 0 0 374.481 2.626 20 10 FFCDRN COC(=O)c1ccc(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)nc1 ZINC001141723602 1026863559 /nfs/dbraw/zinc/86/35/59/1026863559.db2.gz WZRHIQAOLOBKRC-UHFFFAOYSA-N 0 0 373.372 2.830 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc(CNC(N)=O)cc1 ZINC000839913078 1026863574 /nfs/dbraw/zinc/86/35/74/1026863574.db2.gz JWSHSKNWDXLTFS-OAHLLOKOSA-N 0 0 368.481 2.590 20 10 FFCDRN COCCOc1ncccc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839918163 1026864901 /nfs/dbraw/zinc/86/49/01/1026864901.db2.gz KJLRJAFECRPINA-MRXNPFEDSA-N 0 0 371.481 2.842 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CN1Cc2ccccc2C1=O ZINC000839918813 1026865205 /nfs/dbraw/zinc/86/52/05/1026865205.db2.gz NUYKHNZDQHIBHF-MRXNPFEDSA-N 0 0 365.477 2.764 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cc1cn2ccccc2n1 ZINC000839916336 1026865500 /nfs/dbraw/zinc/86/55/00/1026865500.db2.gz SAQOEOLRHVKTKY-INIZCTEOSA-N 0 0 350.466 2.999 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCCn1ccccc1=O ZINC000839918145 1026865532 /nfs/dbraw/zinc/86/55/32/1026865532.db2.gz JWVGCHBRGYATKI-QGZVFWFLSA-N 0 0 355.482 2.750 20 10 FFCDRN CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839917063 1026865667 /nfs/dbraw/zinc/86/56/67/1026865667.db2.gz YJWFICBZGCCZEP-QFBILLFUSA-N 0 0 359.514 2.899 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Cn1c2ccccc2[nH]c1=O ZINC000839915876 1026865688 /nfs/dbraw/zinc/86/56/88/1026865688.db2.gz MITSWJPQWDSOKG-HNNXBMFYSA-N 0 0 366.465 2.864 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1COCCN1C1CCCC1 ZINC000839921737 1026866523 /nfs/dbraw/zinc/86/65/23/1026866523.db2.gz MFTJUQWQXXDSER-UTKZUKDTSA-N 0 0 373.541 2.752 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CCC(=O)c1cnn(C)c1 ZINC000839921956 1026867461 /nfs/dbraw/zinc/86/74/61/1026867461.db2.gz OZMJIKFHUHLLEM-OAHLLOKOSA-N 0 0 356.470 2.505 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H]1CC(c2cccnc2)=NO1 ZINC000839921232 1026867721 /nfs/dbraw/zinc/86/77/21/1026867721.db2.gz ILQFQIYSFKXPHK-QRWLVFNGSA-N 0 0 366.465 2.696 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)[C@H](C2CC2)[C@@H]1C1CC1 ZINC000839958926 1026883298 /nfs/dbraw/zinc/88/32/98/1026883298.db2.gz YOOZXIMBNNRAIQ-RTWAWAEBSA-N 0 0 369.509 2.560 20 10 FFCDRN COc1ccc(N2CCN(CN3C(=O)[C@H](C4CC4)[C@H]3C3CC3)CC2)cc1F ZINC000840022892 1026915524 /nfs/dbraw/zinc/91/55/24/1026915524.db2.gz JLMZQGWVIFZCOV-WOJBJXKFSA-N 0 0 373.472 2.561 20 10 FFCDRN O=C(c1ccccc1)c1ccc(O)c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1[O-] ZINC000840119823 1026964671 /nfs/dbraw/zinc/96/46/71/1026964671.db2.gz ULLSUISRCLMWAC-IBGZPJMESA-N 0 0 363.360 2.531 20 10 FFCDRN COc1ccc(N2CCN(Cc3ccc(COC(C)=O)o3)CC2)c(C)c1 ZINC001141793836 1026994094 /nfs/dbraw/zinc/99/40/94/1026994094.db2.gz KHMBKKXIHPKARP-UHFFFAOYSA-N 0 0 358.438 2.982 20 10 FFCDRN CC(C)OCC(C)(C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000840261551 1027023622 /nfs/dbraw/zinc/02/36/22/1027023622.db2.gz NPVNWNLCZAWLGR-UHFFFAOYSA-N 0 0 367.465 2.665 20 10 FFCDRN CC[C@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H](O)C(C)C ZINC000840271898 1027028037 /nfs/dbraw/zinc/02/80/37/1027028037.db2.gz QDGGGMSXOGNYMM-ZYSHUDEJSA-N 0 0 363.502 2.679 20 10 FFCDRN C[C@H](NC(=O)NC[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc(N2CCOCC2)cc1 ZINC000840269658 1027028147 /nfs/dbraw/zinc/02/81/47/1027028147.db2.gz ADJBIKGDUWHJAM-KYHPRHEASA-N 0 0 361.486 2.697 20 10 FFCDRN Cc1nc(C(C)(C)NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)no1 ZINC000840291000 1027035729 /nfs/dbraw/zinc/03/57/29/1027035729.db2.gz YAVFQGIXOCBYGY-ZDUSSCGKSA-N 0 0 359.474 2.918 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000840351449 1027056541 /nfs/dbraw/zinc/05/65/41/1027056541.db2.gz MJLDGTIKLYKINS-DOTOQJQBSA-N 0 0 355.486 2.503 20 10 FFCDRN C[C@H](NC(=O)N1CC(CO)(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000840353950 1027057522 /nfs/dbraw/zinc/05/75/22/1027057522.db2.gz HKBLDUYQXULAFR-INIZCTEOSA-N 0 0 353.466 2.769 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000840356846 1027058078 /nfs/dbraw/zinc/05/80/78/1027058078.db2.gz AWNOVXCTKSSSRY-OAHLLOKOSA-N 0 0 356.470 2.895 20 10 FFCDRN COCCNC(=O)c1ccc(N[C@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000840384208 1027065764 /nfs/dbraw/zinc/06/57/64/1027065764.db2.gz GDLRPIBMIRLKKV-MRXNPFEDSA-N 0 0 370.497 2.875 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(Cn2cccn2)on1 ZINC000840555923 1027112554 /nfs/dbraw/zinc/11/25/54/1027112554.db2.gz SNTWAGWUEZKFHX-HNNXBMFYSA-N 0 0 367.453 2.655 20 10 FFCDRN COc1cccc(C[C@H](O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000840554157 1027112849 /nfs/dbraw/zinc/11/28/49/1027112849.db2.gz DMGDUUXQJWHTMU-KKSFZXQISA-N 0 0 370.493 2.720 20 10 FFCDRN COC(=O)c1ccc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)nc1 ZINC000840557918 1027114102 /nfs/dbraw/zinc/11/41/02/1027114102.db2.gz VCYDSGHWGGYKIV-AWEZNQCLSA-N 0 0 355.438 2.604 20 10 FFCDRN CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840557162 1027114248 /nfs/dbraw/zinc/11/42/48/1027114248.db2.gz PNJXPZGNHNPOSM-QFBILLFUSA-N 0 0 359.514 2.899 20 10 FFCDRN CCN1C[C@H](NC(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1=O ZINC001158957134 1027204530 /nfs/dbraw/zinc/20/45/30/1027204530.db2.gz CDFLJPPFBQMLTG-GOSISDBHSA-N 0 0 367.449 2.566 20 10 FFCDRN O=C(CNC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)c1ccc(O)c(O)c1 ZINC001159271999 1027330184 /nfs/dbraw/zinc/33/01/84/1027330184.db2.gz IHPVKRYLLIPSFW-UHFFFAOYSA-N 0 0 373.699 2.576 20 10 FFCDRN CCn1cc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)ccc1=O ZINC001212915749 1027335503 /nfs/dbraw/zinc/33/55/03/1027335503.db2.gz YXHOCQUENWEUSK-UHFFFAOYSA-N 0 0 359.385 2.969 20 10 FFCDRN C[C@@H]1c2ncc(COCC3CC3)n2CCN1C(=O)Cc1ccc(N)cc1 ZINC001159697400 1027469393 /nfs/dbraw/zinc/46/93/93/1027469393.db2.gz NLUAVLCDASULMS-CQSZACIVSA-N 0 0 354.454 2.538 20 10 FFCDRN COC(=O)c1cc(NCc2cc(Br)ccc2O)ncc1N ZINC001160012585 1027562746 /nfs/dbraw/zinc/56/27/46/1027562746.db2.gz QCGRPWQBAHQXIV-UHFFFAOYSA-N 0 0 352.188 2.531 20 10 FFCDRN CNC(=O)c1cc(Cl)nc(NCc2cc(Br)ccc2O)n1 ZINC001160018879 1027564099 /nfs/dbraw/zinc/56/40/99/1027564099.db2.gz KGIIVKZVAIYOKO-UHFFFAOYSA-N 0 0 371.622 2.570 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 ZINC000248449313 1027634790 /nfs/dbraw/zinc/63/47/90/1027634790.db2.gz IETCBFMSFRGZRX-RLFYNMQTSA-N 0 0 362.470 2.616 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccnn2Cc2ccccn2)c1 ZINC000093366218 1027703073 /nfs/dbraw/zinc/70/30/73/1027703073.db2.gz STMWUDKUSQYPOH-ZDUSSCGKSA-N 0 0 367.409 2.923 20 10 FFCDRN COc1cc(C(C)=O)ccc1OCCCC(=O)NCc1cccc(O)c1O ZINC001153791779 1027996495 /nfs/dbraw/zinc/99/64/95/1027996495.db2.gz JSMGDEOLABNFTO-UHFFFAOYSA-N 0 0 373.405 2.784 20 10 FFCDRN CC(=O)Nc1cc(C(=O)NCc2ccc3cccnc3c2O)ccc1F ZINC001162607351 1028594222 /nfs/dbraw/zinc/59/42/22/1028594222.db2.gz OIOZTXHMOWLKRH-UHFFFAOYSA-N 0 0 353.353 2.968 20 10 FFCDRN CN(CCc1ccc(F)cc1)C(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155224102 1028632102 /nfs/dbraw/zinc/63/21/02/1028632102.db2.gz AMOPYSYBCSMGNS-UHFFFAOYSA-N 0 0 357.337 2.658 20 10 FFCDRN O=C(NCc1cccc2ncccc12)c1cc2cc(O)c(O)cc2oc1=O ZINC001155232679 1028637914 /nfs/dbraw/zinc/63/79/14/1028637914.db2.gz URPRMVRMBHUPEC-UHFFFAOYSA-N 0 0 362.341 2.682 20 10 FFCDRN Cc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3oc2=O)c(F)c1F ZINC001155233766 1028639797 /nfs/dbraw/zinc/63/97/97/1028639797.db2.gz FDTUYBRBMCOZFZ-UHFFFAOYSA-N 0 0 361.300 2.721 20 10 FFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1nnc2ccccn21 ZINC001155388318 1028715595 /nfs/dbraw/zinc/71/55/95/1028715595.db2.gz JQKSFJGUNUZCFZ-UHFFFAOYSA-N 0 0 353.769 2.567 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2c[nH]nc2-c2cnn(C)c2)cc1F ZINC000780638428 1028754492 /nfs/dbraw/zinc/75/44/92/1028754492.db2.gz CXIRTNPWOBZXFD-UHFFFAOYSA-N 0 0 370.432 2.726 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1c([N+](=O)[O-])c(C(F)(F)F)nn1C ZINC001163030490 1028767004 /nfs/dbraw/zinc/76/70/04/1028767004.db2.gz GBNOBPIQILSJGM-SSDOTTSWSA-N 0 0 360.292 2.801 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000780885769 1028849317 /nfs/dbraw/zinc/84/93/17/1028849317.db2.gz HVXRDKBRNOHSQE-KRWDZBQOSA-N 0 0 372.513 2.685 20 10 FFCDRN CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccc(C)c(O)c1O)C(=O)N2 ZINC000780941991 1028883570 /nfs/dbraw/zinc/88/35/70/1028883570.db2.gz YVRRMFCQOCRXOI-ZDUSSCGKSA-N 0 0 354.406 2.824 20 10 FFCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2Nc1ncc2c(n1)N(C)CC(=O)N2 ZINC001163488854 1028942560 /nfs/dbraw/zinc/94/25/60/1028942560.db2.gz YPCNGDNWDHFMFR-KRWDZBQOSA-N 0 0 367.453 2.923 20 10 FFCDRN Cn1cc(CNc2ccc(C(=O)NCc3c(O)cccc3F)cc2)cn1 ZINC001156177580 1029075865 /nfs/dbraw/zinc/07/58/65/1029075865.db2.gz KXEYVZYZDGOHFV-UHFFFAOYSA-N 0 0 354.385 2.807 20 10 FFCDRN Cc1ccc(C(=O)N[C@H]2CCCN(C(=O)OC(C)(C)C)CC2)c(O)c1O ZINC000781347224 1029156082 /nfs/dbraw/zinc/15/60/82/1029156082.db2.gz OZAZZYAOTZSKDX-ZDUSSCGKSA-N 0 0 364.442 2.926 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@@](CO)(c3ccccc3)C2)cc1 ZINC001156488398 1029214544 /nfs/dbraw/zinc/21/45/44/1029214544.db2.gz KEXOUKUIVXDRRH-UWUNEBHHSA-N 0 0 352.394 2.672 20 10 FFCDRN CCCn1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000781608903 1029303981 /nfs/dbraw/zinc/30/39/81/1029303981.db2.gz PSBZKGSHGTTXJT-GASCZTMLSA-N 0 0 374.460 2.976 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1cn2cc(Cl)cc(Cl)c2n1 ZINC001156886048 1029391677 /nfs/dbraw/zinc/39/16/77/1029391677.db2.gz SEMIEKDCBAPIMU-UHFFFAOYSA-N 0 0 352.177 2.982 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccccc1CCC(=O)OC ZINC001157103178 1029467429 /nfs/dbraw/zinc/46/74/29/1029467429.db2.gz VMPLOBNOAZEDRV-UHFFFAOYSA-N 0 0 362.422 2.914 20 10 FFCDRN Cc1ccc(F)cc1C(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000781933426 1029481584 /nfs/dbraw/zinc/48/15/84/1029481584.db2.gz BPJVVJJDCIOLGG-UHFFFAOYSA-N 0 0 370.424 2.812 20 10 FFCDRN CC(C)n1cnc2c1nc(Cl)nc2NCCc1cc(O)c(O)cc1O ZINC001157245136 1029520043 /nfs/dbraw/zinc/52/00/43/1029520043.db2.gz LUYLBHUPLVMCRV-UHFFFAOYSA-N 0 0 363.805 2.832 20 10 FFCDRN CCCSc1ncnc(NCCc2cc(O)c(O)cc2O)c1OC ZINC001157246618 1029520425 /nfs/dbraw/zinc/52/04/25/1029520425.db2.gz GYGMPMVLQKOHKR-UHFFFAOYSA-N 0 0 351.428 2.759 20 10 FFCDRN CCOC(=O)[C@H]1CCN(C(=O)/C=C\c2cnc(OC)nc2)c2ccccc21 ZINC000782752797 1029808650 /nfs/dbraw/zinc/80/86/50/1029808650.db2.gz UDXVHJNGQPETOU-QWGSZXSUSA-N 0 0 367.405 2.582 20 10 FFCDRN C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000782784140 1029819287 /nfs/dbraw/zinc/81/92/87/1029819287.db2.gz SHHXLXQSKOELIL-IAQYHMDHSA-N 0 0 369.373 2.732 20 10 FFCDRN Nc1ccc2c(c1NC(=O)Cc1cscn1)C(=O)c1ccccc1C2=O ZINC001142036088 1029910780 /nfs/dbraw/zinc/91/07/80/1029910780.db2.gz YCBNFDNJQBAEGH-UHFFFAOYSA-N 0 0 363.398 2.682 20 10 FFCDRN O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1=O ZINC000840998083 1029967342 /nfs/dbraw/zinc/96/73/42/1029967342.db2.gz DGBHNNRNBKITQL-NVXWUHKLSA-N 0 0 374.824 2.562 20 10 FFCDRN Cc1ccc(C)c(OC2CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000841021607 1029982036 /nfs/dbraw/zinc/98/20/36/1029982036.db2.gz JVWSDNSJLTXGKI-UHFFFAOYSA-N 0 0 367.449 2.894 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)NCc2ccc(OC3CCCCC3)nc2)cc1 ZINC000841026926 1029986650 /nfs/dbraw/zinc/98/66/50/1029986650.db2.gz FAANEXAWLGTELR-UHFFFAOYSA-N 0 0 368.437 2.630 20 10 FFCDRN Cc1cc(=O)c(C(=O)NCc2cc(Cl)ccc2O)nn1-c1ccccc1 ZINC001165497620 1030000577 /nfs/dbraw/zinc/00/05/77/1030000577.db2.gz HGAUCCAVSNFNAO-UHFFFAOYSA-N 0 0 369.808 2.830 20 10 FFCDRN COc1c(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)cnn1C ZINC000841107357 1030042811 /nfs/dbraw/zinc/04/28/11/1030042811.db2.gz HCNXPWWEEYNZNU-UHFFFAOYSA-N 0 0 370.375 2.699 20 10 FFCDRN CC(C)(c1ccc(F)cc1)C1(NC(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841139378 1030068271 /nfs/dbraw/zinc/06/82/71/1030068271.db2.gz RBMQXCYBKWSNBL-UHFFFAOYSA-N 0 0 355.413 2.973 20 10 FFCDRN CC1(C)Cc2ccc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c(O)c2O1 ZINC000783400490 1030080022 /nfs/dbraw/zinc/08/00/22/1030080022.db2.gz HOCXQXLDSCPPSU-UHFFFAOYSA-N 0 0 358.346 2.557 20 10 FFCDRN Cc1cn(C2CCCCC2)nc1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000841174653 1030091494 /nfs/dbraw/zinc/09/14/94/1030091494.db2.gz MHBGUXBHKCBUGK-UHFFFAOYSA-N 0 0 369.469 2.576 20 10 FFCDRN CCCOc1ccc(NC(=O)C(=O)NCCc2ccc(N)cc2)c(C)c1 ZINC000841176629 1030093806 /nfs/dbraw/zinc/09/38/06/1030093806.db2.gz UNHNHDAHBIBVAY-UHFFFAOYSA-N 0 0 355.438 2.663 20 10 FFCDRN COc1ccc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1N ZINC000841261143 1030139509 /nfs/dbraw/zinc/13/95/09/1030139509.db2.gz FSZOJCZGNJTKIO-UHFFFAOYSA-N 0 0 374.416 2.779 20 10 FFCDRN Nc1ccc(NC(=O)N[C@@H]2CCN(C(=O)CCc3ccccc3)C2)cc1 ZINC000841300389 1030170667 /nfs/dbraw/zinc/17/06/67/1030170667.db2.gz QTKQNEGNKAJDHY-GOSISDBHSA-N 0 0 352.438 2.624 20 10 FFCDRN Nc1ccc(NC(=O)N2CCC[C@@H](CNC(=O)c3ccccc3)C2)cc1 ZINC000841300900 1030170931 /nfs/dbraw/zinc/17/09/31/1030170931.db2.gz WHFUZVYOCGATED-HNNXBMFYSA-N 0 0 352.438 2.943 20 10 FFCDRN COC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(N)cc3)[C@H](C)C2)cc1 ZINC000841301426 1030172159 /nfs/dbraw/zinc/17/21/59/1030172159.db2.gz OOGMBLLYGIEPLL-CQSZACIVSA-N 0 0 368.437 2.798 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccc(N)cc3)cn2)C[C@H](C)O1 ZINC000841302410 1030172512 /nfs/dbraw/zinc/17/25/12/1030172512.db2.gz WAUGLTUMOOKBIL-OKILXGFUSA-N 0 0 355.442 2.599 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)Nc2ccc(NC(C)=O)cc2)s1 ZINC001166227239 1030313347 /nfs/dbraw/zinc/31/33/47/1030313347.db2.gz CCLYJTOFBXCVJM-UHFFFAOYSA-N 0 0 365.436 2.619 20 10 FFCDRN Nc1ccc(CCNC(=O)NCc2cccnc2OCC(F)(F)F)cc1 ZINC000841684308 1030401901 /nfs/dbraw/zinc/40/19/01/1030401901.db2.gz BBHNHZJMELYXBH-UHFFFAOYSA-N 0 0 368.359 2.647 20 10 FFCDRN Cc1nn(C)c(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)c1C ZINC000784058939 1030446486 /nfs/dbraw/zinc/44/64/86/1030446486.db2.gz CTPNCSRLGGPXPI-UHFFFAOYSA-N 0 0 369.469 2.924 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)c1 ZINC000841764281 1030451407 /nfs/dbraw/zinc/45/14/07/1030451407.db2.gz VGQMIFKDTSVNTQ-INIZCTEOSA-N 0 0 355.394 2.674 20 10 FFCDRN CCOc1ccccc1NC(=O)COc1ccc(N(C)C)c(C(=O)OC)c1 ZINC001166713510 1030491233 /nfs/dbraw/zinc/49/12/33/1030491233.db2.gz JBSVQXPCGFZHQI-UHFFFAOYSA-N 0 0 372.421 2.955 20 10 FFCDRN C[C@H](NC(=O)NCCc1ccc(N)cc1)c1nc(Cc2ccccc2)no1 ZINC000841854777 1030502329 /nfs/dbraw/zinc/50/23/29/1030502329.db2.gz HPNCBUPZLAKOTA-AWEZNQCLSA-N 0 0 365.437 2.846 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)NCCc2ccc(N)cc2)[C@@H]1Oc1ccccc1 ZINC000841882302 1030518744 /nfs/dbraw/zinc/51/87/44/1030518744.db2.gz IELVZIQQCMUNEZ-AQNXPRMDSA-N 0 0 369.465 2.736 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]21 ZINC001142508851 1030558440 /nfs/dbraw/zinc/55/84/40/1030558440.db2.gz OAFFEVMQUYNMJB-XYYAHUGASA-N 0 0 354.397 2.873 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCN(CC(F)F)C2)C2CC2)cc1 ZINC000842198389 1030638775 /nfs/dbraw/zinc/63/87/75/1030638775.db2.gz MAEBQEWGLMHYGQ-HNNXBMFYSA-N 0 0 366.456 2.766 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cc1 ZINC000842200049 1030638875 /nfs/dbraw/zinc/63/88/75/1030638875.db2.gz BQQGNCZSFCVCRP-LJQANCHMSA-N 0 0 369.440 2.724 20 10 FFCDRN CC[C@H](CSc1ccccc1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842205524 1030641837 /nfs/dbraw/zinc/64/18/37/1030641837.db2.gz OGRAVYHTTPSCJZ-QGZVFWFLSA-N 0 0 371.506 2.615 20 10 FFCDRN Cc1ccc([C@@H]2CCCCCN2C(=O)C(=O)NCCc2ccc(N)cc2)o1 ZINC000842241751 1030653737 /nfs/dbraw/zinc/65/37/37/1030653737.db2.gz JSKLCIAWUAEDFG-SFHVURJKSA-N 0 0 369.465 2.973 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@@H](c2cccc(O)c2)C1=O ZINC000842264535 1030664796 /nfs/dbraw/zinc/66/47/96/1030664796.db2.gz KBAXNFIIWFFBFT-LIRRHRJNSA-N 0 0 367.449 2.991 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H](CO)c1ccc(Cl)cc1 ZINC001142727897 1030769736 /nfs/dbraw/zinc/76/97/36/1030769736.db2.gz HTKXHLYQKULTFB-INIZCTEOSA-N 0 0 356.809 2.986 20 10 FFCDRN COc1ccc(C[N@@H+]2CCO[C@@]3(CCCN(c4cccnc4)C3)C2)c(O)c1 ZINC001203621749 1030789243 /nfs/dbraw/zinc/78/92/43/1030789243.db2.gz INJJXTYENIVTLF-NRFANRHFSA-N 0 0 369.465 2.667 20 10 FFCDRN COc1ccc(O)c(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)c1 ZINC001203673280 1030820662 /nfs/dbraw/zinc/82/06/62/1030820662.db2.gz UCVVNKMDQKMBOK-INIZCTEOSA-N 0 0 357.454 2.656 20 10 FFCDRN COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000784894624 1030869831 /nfs/dbraw/zinc/86/98/31/1030869831.db2.gz IAGSZJYVFTZPEV-HIFRSBDPSA-N 0 0 372.373 2.645 20 10 FFCDRN CCc1[nH]c(=O)c(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cc1C ZINC001142798741 1030895360 /nfs/dbraw/zinc/89/53/60/1030895360.db2.gz UNHPBQDKQVRWFC-OAHLLOKOSA-N 0 0 369.465 2.923 20 10 FFCDRN COCn1cc(NC(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)cn1 ZINC001142818081 1030918915 /nfs/dbraw/zinc/91/89/15/1030918915.db2.gz UTDPIXUTSRJGCB-UHFFFAOYSA-N 0 0 368.437 2.968 20 10 FFCDRN CC(=O)N1CC[C@]2(c3ccccc3)CC[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]12 ZINC001203877118 1030950422 /nfs/dbraw/zinc/95/04/22/1030950422.db2.gz MGMAZPJCHWWJAJ-YADHBBJMSA-N 0 0 366.461 2.862 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(O)c(O)c2)CC1(F)F ZINC001203882624 1030955121 /nfs/dbraw/zinc/95/51/21/1030955121.db2.gz OECJUHZVLMFWFP-CQSZACIVSA-N 0 0 358.385 2.832 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3cn(C4CCC4)nn3)C2)cc1 ZINC000842872644 1031003611 /nfs/dbraw/zinc/00/36/11/1031003611.db2.gz BWQYZMBAWKYCKH-AWEZNQCLSA-N 0 0 356.426 2.695 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccn(CC(F)F)n3)C2)cc1 ZINC000842875451 1031007498 /nfs/dbraw/zinc/00/74/98/1031007498.db2.gz MHXVHPMVAQVNOO-CYBMUJFWSA-N 0 0 365.380 2.840 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccnn3CC(F)F)C2)cc1 ZINC000842874438 1031008384 /nfs/dbraw/zinc/00/83/84/1031008384.db2.gz DHFZXDXGCCDJKG-ZDUSSCGKSA-N 0 0 365.380 2.840 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3cc([N+](=O)[O-])cn3C)C2)cc1 ZINC000842877594 1031009750 /nfs/dbraw/zinc/00/97/50/1031009750.db2.gz FQTOMMHSUCCKAD-ZDUSSCGKSA-N 0 0 359.382 2.625 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3ccc([N+](=O)[O-])n3C)C2)cc1 ZINC000842878168 1031011353 /nfs/dbraw/zinc/01/13/53/1031011353.db2.gz KYXPSGDQFKJBNZ-ZDUSSCGKSA-N 0 0 359.382 2.625 20 10 FFCDRN COc1ccc(N2CCN(Cc3ccc(O)c(OC)c3)CC2)c(OC)c1 ZINC001204119645 1031112564 /nfs/dbraw/zinc/11/25/64/1031112564.db2.gz MUECKFQGNMCPAG-UHFFFAOYSA-N 0 0 358.438 2.740 20 10 FFCDRN CC[NH+]1CCN(c2ccc(CNc3ncccc3C(=O)[O-])cc2F)CC1 ZINC000843034514 1031147591 /nfs/dbraw/zinc/14/75/91/1031147591.db2.gz MMPFASKSPALCTP-UHFFFAOYSA-N 0 0 358.417 2.673 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(O)c1 ZINC000797611834 1031160411 /nfs/dbraw/zinc/16/04/11/1031160411.db2.gz CNZJFPBFHVJVNJ-UHFFFAOYSA-N 0 0 369.421 2.959 20 10 FFCDRN CCNC(=O)c1ccc(C)c(NC(=O)NCc2ccc(OC)cc2O)c1 ZINC000797612771 1031162603 /nfs/dbraw/zinc/16/26/03/1031162603.db2.gz BUFISQPFXJLXQP-UHFFFAOYSA-N 0 0 357.410 2.781 20 10 FFCDRN Oc1ccc(CN2CCc3onc(COc4cccnc4)c3C2)c(O)c1 ZINC001204274601 1031201575 /nfs/dbraw/zinc/20/15/75/1031201575.db2.gz QHYNSQSSMYXEMY-UHFFFAOYSA-N 0 0 353.378 2.618 20 10 FFCDRN COC(=O)[C@H]1CC[C@H](C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000797840772 1031224590 /nfs/dbraw/zinc/22/45/90/1031224590.db2.gz FGPCMBLHUXVGSQ-KBAYOESNSA-N 0 0 374.481 2.680 20 10 FFCDRN COc1cc(CN2CCN(C(=O)OC(C)(C)C)C3(CC3)C2)cc(O)c1O ZINC001204346733 1031243256 /nfs/dbraw/zinc/24/32/56/1031243256.db2.gz XQAZIDRFKLHTJY-UHFFFAOYSA-N 0 0 364.442 2.692 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cnc([C@@H](C)O)s3)CC2)cc1 ZINC001143190374 1031293987 /nfs/dbraw/zinc/29/39/87/1031293987.db2.gz DGTRXCWWAMDWJJ-GFCCVEGCSA-N 0 0 361.467 2.604 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(N3CN=NC3=O)CC2)cc1 ZINC000798135824 1031316181 /nfs/dbraw/zinc/31/61/81/1031316181.db2.gz VCUBNBIFCDRBTM-UHFFFAOYSA-N 0 0 365.437 2.869 20 10 FFCDRN Cc1ccncc1N1CCN(C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000798392627 1031387241 /nfs/dbraw/zinc/38/72/41/1031387241.db2.gz CVTLBROKCIRFJD-UHFFFAOYSA-N 0 0 371.460 2.627 20 10 FFCDRN CCOc1ccc(CN2Cc3ccccc3C[C@H]2C(=O)NC2CC2)c(O)c1 ZINC000843420883 1031392288 /nfs/dbraw/zinc/39/22/88/1031392288.db2.gz KRBRQISYNDOARK-FQEVSTJZSA-N 0 0 366.461 2.996 20 10 FFCDRN C[C@]1([NH3+])CCN(Cc2cc(Br)cc(Br)c2[O-])C1 ZINC001204764406 1031432960 /nfs/dbraw/zinc/43/29/60/1031432960.db2.gz ZDPXZDXKXFSPTF-LBPRGKRZSA-N 0 0 364.081 2.840 20 10 FFCDRN Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000798895596 1031578437 /nfs/dbraw/zinc/57/84/37/1031578437.db2.gz FLBAUBHSIFUNJL-KRWDZBQOSA-N 0 0 370.522 2.710 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(F)cc(C)c3N)CC2)c(OC)c1 ZINC001150479586 1031723871 /nfs/dbraw/zinc/72/38/71/1031723871.db2.gz JNCBNUWUKZQGEA-UHFFFAOYSA-N 0 0 373.428 2.696 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3CC[C@@H](OC)C[C@H]3C)CC2)cc1 ZINC000799570271 1031807774 /nfs/dbraw/zinc/80/77/74/1031807774.db2.gz KKMOQLJARKNMJR-DNVCBOLYSA-N 0 0 361.486 2.873 20 10 FFCDRN Cc1nc2c(C)cccn2c1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001151221380 1031890132 /nfs/dbraw/zinc/89/01/32/1031890132.db2.gz HNXWDYFXYWMSER-UHFFFAOYSA-N 0 0 351.406 2.951 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(Cn3cccn3)cc2)c1 ZINC001223624995 1033525434 /nfs/dbraw/zinc/52/54/34/1033525434.db2.gz SPPRVINXTQBXCV-UHFFFAOYSA-N 0 0 350.422 2.945 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cccc([C@H]3CCC(=O)N3)c2)c1O ZINC001219143385 1033532596 /nfs/dbraw/zinc/53/25/96/1033532596.db2.gz YQSDUFDAIHMMTI-OAHLLOKOSA-N 0 0 355.394 2.674 20 10 FFCDRN CN(Cc1cnccn1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001219188972 1033547588 /nfs/dbraw/zinc/54/75/88/1033547588.db2.gz GCOZHKHSTNLBSL-UHFFFAOYSA-N 0 0 359.393 2.850 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2C[C@H](NC(=O)OC(C)(C)C)C2)c1 ZINC000830541466 1033662636 /nfs/dbraw/zinc/66/26/36/1033662636.db2.gz YKWPWAZULVOKFD-JHJVBQTASA-N 0 0 364.442 2.881 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CSC(c3ccccc3O)=N2)c1 ZINC000830540290 1033662723 /nfs/dbraw/zinc/66/27/23/1033662723.db2.gz ISWVLTVLASBLGC-ABAIWWIYSA-N 0 0 372.446 2.846 20 10 FFCDRN CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001276944683 1033709951 /nfs/dbraw/zinc/70/99/51/1033709951.db2.gz VZTXHQUBTKRDBR-GFCCVEGCSA-N 0 0 371.250 2.642 20 10 FFCDRN CCN1CCN(C(=O)c2ccc(C)c(-n3c(C)cc(C=O)c3C)c2)CC1=O ZINC001138124404 1033800514 /nfs/dbraw/zinc/80/05/14/1033800514.db2.gz 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1061410455 /nfs/dbraw/zinc/41/04/55/1061410455.db2.gz GARSOJSVRLMRQJ-UHFFFAOYSA-N 0 0 372.805 2.910 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CC[C@@H]([C@@H]3CCOC3)C2)n1CC1CC1 ZINC001527167106 1061411581 /nfs/dbraw/zinc/41/15/81/1061411581.db2.gz WKLIUCUHWJCHKM-ZIAGYGMSSA-N 0 0 360.483 2.985 20 10 FFCDRN Oc1cc(F)c(F)cc1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC001461937714 1061456662 /nfs/dbraw/zinc/45/66/62/1061456662.db2.gz TUJJKYCHLNHOFP-UHFFFAOYSA-N 0 0 356.376 2.869 20 10 FFCDRN O=C(/C=C\c1cccnc1)N1CCNC(=O)c2cc(Br)ccc21 ZINC001463019763 1061892096 /nfs/dbraw/zinc/89/20/96/1061892096.db2.gz KMLOZSXUPHQJBP-UTCJRWHESA-N 0 0 372.222 2.634 20 10 FFCDRN CCC[C@H](C)C(=O)NCCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001478685915 1062085268 /nfs/dbraw/zinc/08/52/68/1062085268.db2.gz WFIBLSMUUUMDST-KRWDZBQOSA-N 0 0 374.529 2.981 20 10 FFCDRN Cc1cc(CNC(=O)N2CCN(C3CC3)C(=O)C2)c(C)n1-c1ccccc1 ZINC001479103582 1062226180 /nfs/dbraw/zinc/22/61/80/1062226180.db2.gz XSMOOCCDZWDCRA-UHFFFAOYSA-N 0 0 366.465 2.610 20 10 FFCDRN Cc1cnn(-c2cc(C(=O)NCc3ccc(N(C)C)cc3)c(N)cc2F)c1 ZINC001463727721 1062229810 /nfs/dbraw/zinc/22/98/10/1062229810.db2.gz UBKJKABSDJWXEV-UHFFFAOYSA-N 0 0 367.428 2.898 20 10 FFCDRN Cc1csc(N2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)n1 ZINC001464080389 1062413764 /nfs/dbraw/zinc/41/37/64/1062413764.db2.gz QJDQJGZRALXPPT-UHFFFAOYSA-N 0 0 358.427 2.576 20 10 FFCDRN Nc1ccc(CC(=O)N2CCOC[C@H]2C[C@H]2CNc3ccccc32)cc1 ZINC001523299846 1062429101 /nfs/dbraw/zinc/42/91/01/1062429101.db2.gz JEAIJVKJMTWPQU-FUHWJXTLSA-N 0 0 351.450 2.638 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@@]3(C)CCCCO3)CC2)cc1F ZINC001479463794 1062433151 /nfs/dbraw/zinc/43/31/51/1062433151.db2.gz PENCEHGHGOWXEQ-LJQANCHMSA-N 0 0 365.449 2.625 20 10 FFCDRN C[C@@H](O)c1ncc(C(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC001464263462 1062511806 /nfs/dbraw/zinc/51/18/06/1062511806.db2.gz VVHFEEBTVWXSTD-GFCCVEGCSA-N 0 0 363.508 2.680 20 10 FFCDRN O=S(=O)(c1ccc(F)c(Br)c1)N1Cc2cccc(O)c2C1 ZINC001464330133 1062550799 /nfs/dbraw/zinc/55/07/99/1062550799.db2.gz VYOTVKIDBZGILE-UHFFFAOYSA-N 0 0 372.215 2.998 20 10 FFCDRN O=Cc1c[nH]c2cc(C(=O)NCc3ccc(N4CCOCC4)cc3)ccc12 ZINC001464447215 1062616787 /nfs/dbraw/zinc/61/67/87/1062616787.db2.gz BKPPLNQLZDURAQ-UHFFFAOYSA-N 0 0 363.417 2.747 20 10 FFCDRN CC1(C)Cc2cccc(S(=O)(=O)NCc3c(O)cccc3F)c2O1 ZINC001464597714 1062706763 /nfs/dbraw/zinc/70/67/63/1062706763.db2.gz ORRIULXFWJZVGQ-UHFFFAOYSA-N 0 0 351.399 2.723 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cnn3c2NC[C@@H](C)C3)cc1F ZINC001465003109 1062939364 /nfs/dbraw/zinc/93/93/64/1062939364.db2.gz ABKIIMCBYOWWET-CYBMUJFWSA-N 0 0 359.449 2.860 20 10 FFCDRN Cc1c(NC(=O)N2Cc3cccc(O)c3C2)c(=O)n(-c2ccccc2)n1C ZINC001465174242 1062998499 /nfs/dbraw/zinc/99/84/99/1062998499.db2.gz BPYNQFLHWZYLRB-UHFFFAOYSA-N 0 0 364.405 2.738 20 10 FFCDRN CS(=O)(=O)Nc1ccc(NC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001465711433 1063187383 /nfs/dbraw/zinc/18/73/83/1063187383.db2.gz NQJZOGBQSGBZEK-UHFFFAOYSA-N 0 0 369.830 2.739 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC001465958167 1063279734 /nfs/dbraw/zinc/27/97/34/1063279734.db2.gz HTGJEOZBSRCXPN-SFHVURJKSA-N 0 0 368.433 2.671 20 10 FFCDRN CC(=O)Nc1cccnc1C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001440714916 1063346213 /nfs/dbraw/zinc/34/62/13/1063346213.db2.gz ZMJVPJNSVNULMQ-UHFFFAOYSA-N 0 0 352.438 2.912 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CCSC[C@H]2CO)ccc1C ZINC001466170127 1063352153 /nfs/dbraw/zinc/35/21/53/1063352153.db2.gz VOMFEBWRVNPTIJ-GOSISDBHSA-N 0 0 372.490 2.765 20 10 FFCDRN Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001442566118 1063541447 /nfs/dbraw/zinc/54/14/47/1063541447.db2.gz CWHMVJXEBPDKTC-UHFFFAOYSA-N 0 0 354.406 2.823 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3c(OC)ccnc3OC)C2)cc1 ZINC001467206836 1063669386 /nfs/dbraw/zinc/66/93/86/1063669386.db2.gz QVIRGUVYCKEBHO-ZDUSSCGKSA-N 0 0 372.425 2.508 20 10 FFCDRN C[C@H](CNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)Cn1cccn1 ZINC001468187734 1063940452 /nfs/dbraw/zinc/94/04/52/1063940452.db2.gz PNWBTIWGBDCCAZ-QGZVFWFLSA-N 0 0 355.486 2.961 20 10 FFCDRN COc1cc(CCNC(=O)NCc2cccc(Cl)c2O)ccc1O ZINC001468895398 1064055596 /nfs/dbraw/zinc/05/55/96/1064055596.db2.gz SIUKCFSDKXRFCQ-UHFFFAOYSA-N 0 0 350.802 2.802 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2N=NC(=O)N2C2CC2)cc1 ZINC001469595148 1064175790 /nfs/dbraw/zinc/17/57/90/1064175790.db2.gz WWKYOEUXOWUBJG-UHFFFAOYSA-N 0 0 351.410 2.656 20 10 FFCDRN COCCn1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)cn1 ZINC001470849067 1064467986 /nfs/dbraw/zinc/46/79/86/1064467986.db2.gz BRIUJLYZWAKPOO-UHFFFAOYSA-N 0 0 366.465 2.910 20 10 FFCDRN COc1cccc(CNC(=O)NCc2cc3ccccc3[nH]c2=O)c1O ZINC001471607804 1064730976 /nfs/dbraw/zinc/73/09/76/1064730976.db2.gz BIYHXVPXNCVUIH-UHFFFAOYSA-N 0 0 353.378 2.654 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC001471660746 1064749198 /nfs/dbraw/zinc/74/91/98/1064749198.db2.gz KLJAQOCNVSVRCL-UHFFFAOYSA-N 0 0 357.366 2.536 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1ccc(I)cc1 ZINC001472061739 1064913513 /nfs/dbraw/zinc/91/35/13/1064913513.db2.gz XETNWJUOPJRFFN-UHFFFAOYSA-N 0 0 369.158 2.632 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1nc(NCc2ccco2)ncc1Cl ZINC001472064374 1064915472 /nfs/dbraw/zinc/91/54/72/1064915472.db2.gz VOWGGSUDANYXNZ-UHFFFAOYSA-N 0 0 374.784 2.676 20 10 FFCDRN O=C(Cn1nnnc1-c1ccsc1)NCc1c(O)ccc2ccccc21 ZINC001472085109 1064924350 /nfs/dbraw/zinc/92/43/50/1064924350.db2.gz KXCWNCBXVVCWLU-UHFFFAOYSA-N 0 0 365.418 2.577 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2cc3ccccc3n(C)c2=O)cc1 ZINC001473372943 1065251119 /nfs/dbraw/zinc/25/11/19/1065251119.db2.gz KMCGWLFWOLAWPJ-UHFFFAOYSA-N 0 0 366.417 2.727 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)CC2(C)CCOCC2)cc1 ZINC001474852931 1065626543 /nfs/dbraw/zinc/62/65/43/1065626543.db2.gz WMUAIVOREWLUIY-UHFFFAOYSA-N 0 0 354.516 2.769 20 10 FFCDRN CN(C(=O)[C@@H]1CCN(C(=O)OCc2ccccc2)C1)c1ccc(N)cc1 ZINC001578370257 1078466925 /nfs/dbraw/zinc/46/69/25/1078466925.db2.gz HDXLUIFKAWSAHX-MRXNPFEDSA-N 0 0 353.422 2.890 20 10 FFCDRN Nc1ccc(CCNC(=O)c2ccc(=O)n(-c3cccc(F)c3)c2)cc1 ZINC001580443538 1078805141 /nfs/dbraw/zinc/80/51/41/1078805141.db2.gz OHGKXRMZIBLJLK-UHFFFAOYSA-N 0 0 351.381 2.531 20 10 FFCDRN Nc1ccc(NC(=O)[C@]2(F)CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001580447819 1078806750 /nfs/dbraw/zinc/80/67/50/1078806750.db2.gz MZSRTNNPYHNWLQ-IBGZPJMESA-N 0 0 357.385 2.958 20 10 FFCDRN Cc1cc(CNC(=O)c2ccc(-c3nn[nH]n3)nc2)c(C)n1-c1ccccc1 ZINC001580925839 1078892583 /nfs/dbraw/zinc/89/25/83/1078892583.db2.gz SCOARVDCDKEFCQ-UHFFFAOYSA-N 0 0 373.420 2.599 20 10 FFCDRN CC(C)[C@@H](CCO)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562965954 1074800283 /nfs/dbraw/zinc/80/02/83/1074800283.db2.gz HCHKLTLSKBDMRL-CQSZACIVSA-N 0 0 353.426 2.925 20 10 FFCDRN Cc1cccc(C(=O)N2CCC[C@@H]2C(=O)NCc2cc(C)ccc2O)c1 ZINC001584983323 1079411519 /nfs/dbraw/zinc/41/15/19/1079411519.db2.gz JFWYLCZEVIPKKM-GOSISDBHSA-N 0 0 352.434 2.930 20 10 FFCDRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCCCC1 ZINC001556141256 1075706872 /nfs/dbraw/zinc/70/68/72/1075706872.db2.gz DXCYEGNBDGPIAY-LBPRGKRZSA-N 0 0 354.472 2.852 20 10 FFCDRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)C2)c1 ZINC001556157553 1075710174 /nfs/dbraw/zinc/71/01/74/1075710174.db2.gz DZEKWJHFARHLDA-JLTOFOAXSA-N 0 0 368.433 2.955 20 10 FFCDRN C[C@](CO)(NC(=O)Cc1ccc(O)c(O)c1)c1cc(Cl)cc(Cl)c1 ZINC001556609783 1075758774 /nfs/dbraw/zinc/75/87/74/1075758774.db2.gz GUCUGAAXLAFDLJ-QGZVFWFLSA-N 0 0 370.232 2.971 20 10 FFCDRN C[C@@H](c1ccccc1F)N1CCC[C@@H](NC(=O)c2cccc(O)c2O)C1=O ZINC001556730232 1075768873 /nfs/dbraw/zinc/76/88/73/1075768873.db2.gz JCARRLFWGXVTQE-BLLLJJGKSA-N 0 0 372.396 2.719 20 10 FFCDRN Cn1c2cc(F)c(NC(=O)c3ccc(N=NC(N)=O)cc3)cc2oc1=O ZINC001556954214 1075793510 /nfs/dbraw/zinc/79/35/10/1075793510.db2.gz CNLNUSBUGYCSSD-UHFFFAOYSA-N 0 0 357.301 2.685 20 10 FFCDRN CC(C)(C)c1cc(C(=O)NCc2cc(Cl)ccc2O)nc2ncnn21 ZINC001557385990 1075844318 /nfs/dbraw/zinc/84/43/18/1075844318.db2.gz NOMDBZYNYWEYQM-UHFFFAOYSA-N 0 0 359.817 2.711 20 10 FFCDRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001558161695 1075952839 /nfs/dbraw/zinc/95/28/39/1075952839.db2.gz QTJINJYFESUCGK-JSGCOSHPSA-N 0 0 364.442 2.750 20 10 FFCDRN CC(C)(C)OC(=O)Nc1cnc(C(=O)NCc2c(O)cccc2F)cn1 ZINC001558454503 1076009342 /nfs/dbraw/zinc/00/93/42/1076009342.db2.gz HTRIYUIYWRBKCQ-UHFFFAOYSA-N 0 0 362.361 2.598 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC001558455115 1076009991 /nfs/dbraw/zinc/00/99/91/1076009991.db2.gz OWOPTHHIYKEWMP-UHFFFAOYSA-N 0 0 369.352 2.623 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1ccc2c(c1[N+](=O)[O-])OCCCO2 ZINC001558456825 1076010054 /nfs/dbraw/zinc/01/00/54/1076010054.db2.gz FUPOZWRNBFDQLO-UHFFFAOYSA-N 0 0 362.313 2.531 20 10 FFCDRN COc1cc(N(C)C[C@@H]2CCC[C@@]3(CCOC3)O2)cc(OC)c1OC ZINC001559542507 1076171885 /nfs/dbraw/zinc/17/18/85/1076171885.db2.gz XGJDGFOWAMHHCL-KXBFYZLASA-N 0 0 351.443 2.877 20 10 FFCDRN CN(C)c1ccc(CN2C[C@H](O)C[C@H]2c2nnc(-c3ccccc3)[nH]2)cc1 ZINC001560200748 1076245862 /nfs/dbraw/zinc/24/58/62/1076245862.db2.gz KBSPITCIRBKIMQ-MOPGFXCFSA-N 0 0 363.465 2.846 20 10 FFCDRN O=C(CN1CCC[C@@H](F)C1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001560204966 1076246438 /nfs/dbraw/zinc/24/64/38/1076246438.db2.gz GNWAKKXDLVEGFF-CYBMUJFWSA-N 0 0 366.392 2.834 20 10 FFCDRN Cc1ccc(CN2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001560672240 1076290289 /nfs/dbraw/zinc/29/02/89/1076290289.db2.gz ZPFFFHQWKCLOND-WMLDXEAASA-N 0 0 350.459 2.815 20 10 FFCDRN COc1cc(O)c(CNc2ccccc2CN2CCNC2=O)cc1OC ZINC001560749096 1076296511 /nfs/dbraw/zinc/29/65/11/1076296511.db2.gz NYUJOUUOKBLEJR-UHFFFAOYSA-N 0 0 357.410 2.547 20 10 FFCDRN Cn1nccc1[C@H](NCc1ccc(Cl)cc1O)C(=O)OC(C)(C)C ZINC001560914367 1076308735 /nfs/dbraw/zinc/30/87/35/1076308735.db2.gz IQJIADZUYGSLQU-HNNXBMFYSA-N 0 0 351.834 2.952 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC001560994360 1076317874 /nfs/dbraw/zinc/31/78/74/1076317874.db2.gz ZNVOQFNNWIATGQ-AWEZNQCLSA-N 0 0 366.801 2.656 20 10 FFCDRN Cc1nn2cccnc2c1S(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C ZINC001561664242 1076404358 /nfs/dbraw/zinc/40/43/58/1076404358.db2.gz RKAFFXPMMXNMBW-UHFFFAOYSA-N 0 0 370.434 2.914 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1OC ZINC001561725356 1076413178 /nfs/dbraw/zinc/41/31/78/1076413178.db2.gz VIKUBRFDBJPGFN-UHFFFAOYSA-N 0 0 357.815 2.541 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001564467744 1076635615 /nfs/dbraw/zinc/63/56/15/1076635615.db2.gz XCRUNGZAQTYDLA-ZDUSSCGKSA-N 0 0 365.861 2.778 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H](CO)Cc1ccoc1 ZINC001564946864 1076672459 /nfs/dbraw/zinc/67/24/59/1076672459.db2.gz XJLBEQDESLDKBO-AEFFLSMTSA-N 0 0 373.497 2.735 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCC(=O)OC(C)C)CCCC1 ZINC001565646613 1076750020 /nfs/dbraw/zinc/75/00/20/1076750020.db2.gz UKBKVXUYWOYBJT-UHFFFAOYSA-N 0 0 358.438 2.597 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[C@H](O)C(C)C)cc1 ZINC001565784984 1076765803 /nfs/dbraw/zinc/76/58/03/1076765803.db2.gz VNYUQNNVNUKNIQ-FQEVSTJZSA-N 0 0 356.466 2.972 20 10 FFCDRN Cc1ccc(C2=NO[C@H](C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001567467178 1077030082 /nfs/dbraw/zinc/03/00/82/1077030082.db2.gz CYSHJKSSRRKNMQ-DJJJIMSYSA-N 0 0 354.406 2.647 20 10 FFCDRN CC(C)(Cc1ccc(-c2nn[nH]n2)cc1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001589307172 1080475094 /nfs/dbraw/zinc/47/50/94/1080475094.db2.gz KMWACSAZYNQITL-UHFFFAOYSA-N 0 0 359.380 2.961 20 10 FFCDRN C[C@H]([NH2+]C[C@]1(C)CCOC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589977739 1080917082 /nfs/dbraw/zinc/91/70/82/1080917082.db2.gz HPSLBGMZPFBAMR-SCLBCKFNSA-N 0 0 357.458 2.962 20 10 FFCDRN C[C@H](Nc1cccc(N2CCOCC2)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589985210 1080922995 /nfs/dbraw/zinc/92/29/95/1080922995.db2.gz FCZAOXLNZADJGW-ZDUSSCGKSA-N 0 0 366.425 2.582 20 10 FFCDRN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1O ZINC001601660119 1126224537 /nfs/dbraw/zinc/22/45/37/1126224537.db2.gz OJQAQLNHBWOJNT-AWEZNQCLSA-N 0 0 350.212 2.940 20 10 FFCDRN COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 ZINC000109181152 132244390 /nfs/dbraw/zinc/24/43/90/132244390.db2.gz AQSZTRGUJWRGHG-HNNXBMFYSA-N 0 0 368.433 2.801 20 10 FFCDRN O=C(NCc1cnc2n1CCCC2)NCc1ccc(N2CC=CC2)cc1 ZINC000375117525 512169924 /nfs/dbraw/zinc/16/99/24/512169924.db2.gz UFAZHHMYGXYIGV-UHFFFAOYSA-N 0 0 351.454 2.595 20 10 FFCDRN C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000373165806 512202023 /nfs/dbraw/zinc/20/20/23/512202023.db2.gz JFURUHSKRPCAJQ-XEZPLFJOSA-N 0 0 354.397 2.798 20 10 FFCDRN COc1c(O)c(CNc2ccc3c(c2)CN(C(C)=O)C3)ccc1[N+](=O)[O-] ZINC000373208469 512221639 /nfs/dbraw/zinc/22/16/39/512221639.db2.gz GXZRNRRVUUCSKI-UHFFFAOYSA-N 0 0 357.366 2.783 20 10 FFCDRN CN(CC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)c1cccs1 ZINC000041364991 506508774 /nfs/dbraw/zinc/50/87/74/506508774.db2.gz MSXHDMFNMFJTHP-UHFFFAOYSA-N 0 0 357.479 2.737 20 10 FFCDRN CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1C ZINC000054285178 506531622 /nfs/dbraw/zinc/53/16/22/506531622.db2.gz ZKSYETIKHHEIFN-UHFFFAOYSA-N 0 0 355.438 2.601 20 10 FFCDRN C[C@H]1c2cccn2CCN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054786736 506622357 /nfs/dbraw/zinc/62/23/57/506622357.db2.gz WXXDEUIGSMDOMX-INIZCTEOSA-N 0 0 354.454 2.611 20 10 FFCDRN COc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000055522742 506768604 /nfs/dbraw/zinc/76/86/04/506768604.db2.gz GJMGPONZKNUACV-UHFFFAOYSA-N 0 0 372.440 2.920 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000055522896 506768824 /nfs/dbraw/zinc/76/88/24/506768824.db2.gz KWMRYAJXYRWEGO-UHFFFAOYSA-N 0 0 359.357 2.501 20 10 FFCDRN CCN(C(=O)c1cc(C)n(-c2ccccc2)c1C)[C@@H]1CCS(=O)(=O)C1 ZINC000067179863 506785344 /nfs/dbraw/zinc/78/53/44/506785344.db2.gz QWMRNUMEYVAEMK-QGZVFWFLSA-N 0 0 360.479 2.743 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=Cc2ccccc2OC1 ZINC000016135013 507075126 /nfs/dbraw/zinc/07/51/26/507075126.db2.gz UQESZCOMHJNMOC-UHFFFAOYSA-N 0 0 364.445 2.958 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@]3(CC=CCC3)C2)c1 ZINC000369330263 512353272 /nfs/dbraw/zinc/35/32/72/512353272.db2.gz RHTCIZKUVXGCNR-GOSISDBHSA-N 0 0 364.467 2.726 20 10 FFCDRN COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c([N+](=O)[O-])cc1OC ZINC000028495220 507727912 /nfs/dbraw/zinc/72/79/12/507727912.db2.gz QDFKYYNOHLPXKD-UHFFFAOYSA-N 0 0 373.409 2.950 20 10 FFCDRN Cc1cc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000051475448 507772473 /nfs/dbraw/zinc/77/24/73/507772473.db2.gz YUWUQUNZIPAEQO-IBGZPJMESA-N 0 0 356.470 2.845 20 10 FFCDRN CCS(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000079121800 507934352 /nfs/dbraw/zinc/93/43/52/507934352.db2.gz HRRJNHQCWJPILK-UHFFFAOYSA-N 0 0 367.298 2.603 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccnn1C ZINC000073714234 507947918 /nfs/dbraw/zinc/94/79/18/507947918.db2.gz VMUDIDTWJMMYIO-UHFFFAOYSA-N 0 0 367.247 2.620 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(N2CCNC2=O)cc1 ZINC000074020042 507977194 /nfs/dbraw/zinc/97/71/94/507977194.db2.gz IEQZQLUDKYPYFA-UHFFFAOYSA-N 0 0 366.465 2.945 20 10 FFCDRN Cc1cccc(C(C)C)c1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 ZINC000091257763 507977210 /nfs/dbraw/zinc/97/72/10/507977210.db2.gz XCNXXZRZLWYESS-UHFFFAOYSA-N 0 0 356.422 2.827 20 10 FFCDRN CCc1cccc(CC)c1NC(=O)C(=O)NCCc1ccc(O)c(O)c1 ZINC000091257849 507977223 /nfs/dbraw/zinc/97/72/23/507977223.db2.gz GWXACMANEUPOIU-UHFFFAOYSA-N 0 0 356.422 2.520 20 10 FFCDRN CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000092473495 508073455 /nfs/dbraw/zinc/07/34/55/508073455.db2.gz XRFYSPVBQWYYFN-CQSZACIVSA-N 0 0 366.285 2.933 20 10 FFCDRN CC(C)CC[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000092762096 508100055 /nfs/dbraw/zinc/10/00/55/508100055.db2.gz OCSOFNUYHKZUJT-AWEZNQCLSA-N 0 0 354.472 2.805 20 10 FFCDRN O=C1CCCN1C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000093087842 508121025 /nfs/dbraw/zinc/12/10/25/508121025.db2.gz RHTWOTMSNPUBEH-UHFFFAOYSA-N 0 0 353.806 2.541 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@H](c3ncc[nH]3)C2)c([N+](=O)[O-])c1 ZINC000075721813 508131649 /nfs/dbraw/zinc/13/16/49/508131649.db2.gz GTSBZAUEXHEOPB-DYLGSBMWSA-N 0 0 356.382 2.888 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCOCC1 ZINC000081203283 508147224 /nfs/dbraw/zinc/14/72/24/508147224.db2.gz SHIXYPPBYWLECT-AWEZNQCLSA-N 0 0 354.397 2.800 20 10 FFCDRN O=C(CCn1ccnc1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203119 508147248 /nfs/dbraw/zinc/14/72/48/508147248.db2.gz IAYFMAZYUFAZBN-AWEZNQCLSA-N 0 0 364.396 2.660 20 10 FFCDRN Cc1ccc([C@@H](C)N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC000093929800 508161575 /nfs/dbraw/zinc/16/15/75/508161575.db2.gz KFFSWRHLRPWQDQ-CYBMUJFWSA-N 0 0 362.451 2.905 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cc(F)ccc1F ZINC000076563023 508224522 /nfs/dbraw/zinc/22/45/22/508224522.db2.gz YEWHZOCXFHDKTB-UHFFFAOYSA-N 0 0 360.360 2.804 20 10 FFCDRN COCc1ccccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000076562992 508224743 /nfs/dbraw/zinc/22/47/43/508224743.db2.gz LMJTZTCQHPABAB-UHFFFAOYSA-N 0 0 368.433 2.672 20 10 FFCDRN O=C(CCc1cnccn1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373538548 512384791 /nfs/dbraw/zinc/38/47/91/512384791.db2.gz 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/nfs/dbraw/zinc/67/07/79/508670779.db2.gz DPGMEJLQYADEEF-MRXNPFEDSA-N 0 0 359.449 2.844 20 10 FFCDRN Cc1cc(C[C@@H](C)NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)[nH]n1 ZINC000158435177 508703669 /nfs/dbraw/zinc/70/36/69/508703669.db2.gz BLMJECWBDMEKSL-RDTXWAMCSA-N 0 0 372.469 2.746 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000119041649 508712318 /nfs/dbraw/zinc/71/23/18/508712318.db2.gz QQFRWDXMYBLPAS-UHFFFAOYSA-N 0 0 366.465 2.881 20 10 FFCDRN O=C([C@H]1CCCc2n[nH]cc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000136793853 508717259 /nfs/dbraw/zinc/71/72/59/508717259.db2.gz ZWBMTCJCYAUMTF-CVEARBPZSA-N 0 0 355.438 2.743 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000119190224 508744777 /nfs/dbraw/zinc/74/47/77/508744777.db2.gz JMCOYZXAPGCNOP-FHWLQOOXSA-N 0 0 353.466 2.820 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc2[nH]cnc21 ZINC000159603253 508864627 /nfs/dbraw/zinc/86/46/27/508864627.db2.gz RNJLFNAGCPBUQB-UHFFFAOYSA-N 0 0 364.449 2.702 20 10 FFCDRN CN(CCC1CCOCC1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000154875252 508874459 /nfs/dbraw/zinc/87/44/59/508874459.db2.gz NNVOLXXSTYXXIP-QPJJXVBHSA-N 0 0 358.482 2.812 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(N3CCNC3=O)ccc2F)cc1 ZINC000155224612 508952729 /nfs/dbraw/zinc/95/27/29/508952729.db2.gz IRIPMJIJEORUTE-UHFFFAOYSA-N 0 0 370.428 2.694 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2 ZINC000120269968 508962202 /nfs/dbraw/zinc/96/22/02/508962202.db2.gz BWNMLABWFFLTMB-UHFFFAOYSA-N 0 0 373.474 2.703 20 10 FFCDRN Cc1cc(C(=O)N2CCCC[C@H]2[C@H]2CNC(=O)C2)c(C)n1-c1ccccn1 ZINC000132281551 509010189 /nfs/dbraw/zinc/01/01/89/509010189.db2.gz WRHLCZGWCXMEDS-AEFFLSMTSA-N 0 0 366.465 2.620 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H]2c2nncn2C)c(C)n1-c1ccccn1 ZINC000120759243 509059063 /nfs/dbraw/zinc/05/90/63/509059063.db2.gz RUFNJBUTAPRLEK-MRXNPFEDSA-N 0 0 350.426 2.595 20 10 FFCDRN COc1ccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1N ZINC000161334533 509103731 /nfs/dbraw/zinc/10/37/31/509103731.db2.gz 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509269313 /nfs/dbraw/zinc/26/93/13/509269313.db2.gz OQSUPQYPZISKFH-UHFFFAOYSA-N 0 0 365.437 2.645 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1ccccc1O)c1ccc2c(c1)CC(=O)N2C ZINC000264007265 509277855 /nfs/dbraw/zinc/27/78/55/509277855.db2.gz GQHYXSCXVZXGOM-ZDUSSCGKSA-N 0 0 353.422 2.814 20 10 FFCDRN C[C@@H](C1CC1)n1nccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000191984964 509279140 /nfs/dbraw/zinc/27/91/40/509279140.db2.gz AAQSXDYHBYITDD-AWEZNQCLSA-N 0 0 369.469 2.517 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)CC(=O)OC ZINC000163031398 509332212 /nfs/dbraw/zinc/33/22/12/509332212.db2.gz NFRBXUQGSYFTLN-SNVBAGLBSA-N 0 0 358.232 2.702 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2c2nncn2C)cc1 ZINC000179319574 509374481 /nfs/dbraw/zinc/37/44/81/509374481.db2.gz CMTBQCRIHJAIBS-KRWDZBQOSA-N 0 0 356.474 2.708 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(O)c(F)c1 ZINC000163739039 509417878 /nfs/dbraw/zinc/41/78/78/509417878.db2.gz IERQAZCNPVENKX-UHFFFAOYSA-N 0 0 373.428 2.710 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(NC(=O)NC(C)C)cc2)c1O ZINC000264279908 509430644 /nfs/dbraw/zinc/43/06/44/509430644.db2.gz QGOUWZBIOBTRMX-UHFFFAOYSA-N 0 0 357.410 2.861 20 10 FFCDRN Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173197343 509450791 /nfs/dbraw/zinc/45/07/91/509450791.db2.gz VIWCMCHJMGTQOV-CYBMUJFWSA-N 0 0 356.470 2.707 20 10 FFCDRN CC(=O)c1cccc(OCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173201044 509452435 /nfs/dbraw/zinc/45/24/35/509452435.db2.gz NKYGZDWUPBGHMU-UHFFFAOYSA-N 0 0 354.406 2.760 20 10 FFCDRN COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccc(OC)cc1 ZINC000267425956 509475165 /nfs/dbraw/zinc/47/51/65/509475165.db2.gz BHOVRIPTEJBWMN-KRWDZBQOSA-N 0 0 361.369 2.746 20 10 FFCDRN CCOc1ccc(C(=O)N(C)C)cc1NC(=O)NCc1ccccc1O ZINC000267435689 509481331 /nfs/dbraw/zinc/48/13/31/509481331.db2.gz DHXWDGBTRQUXGK-UHFFFAOYSA-N 0 0 357.410 2.814 20 10 FFCDRN COCCOc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000192361497 509484314 /nfs/dbraw/zinc/48/43/14/509484314.db2.gz 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ZINC000264722108 509666424 /nfs/dbraw/zinc/66/64/24/509666424.db2.gz PPKRKUIWDDMWES-HUUCEWRRSA-N 0 0 357.429 2.693 20 10 FFCDRN C[S@](=O)c1cccc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1 ZINC000264773566 509695401 /nfs/dbraw/zinc/69/54/01/509695401.db2.gz OUBKADLWANLTOA-ZRFNAWPJSA-N 0 0 370.474 2.913 20 10 FFCDRN COc1cccc(CN2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c1O ZINC000179999516 509705007 /nfs/dbraw/zinc/70/50/07/509705007.db2.gz SIHWDZJYDWOVRU-UHFFFAOYSA-N 0 0 358.413 2.806 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC000183489774 509822186 /nfs/dbraw/zinc/82/21/86/509822186.db2.gz ZPRWXMDRXHPLLR-KSSFIOAISA-N 0 0 372.440 2.949 20 10 FFCDRN CCS(=O)(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000193242177 509834035 /nfs/dbraw/zinc/83/40/35/509834035.db2.gz JITPQMAILIDOCP-UHFFFAOYSA-N 0 0 359.875 2.647 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000265119858 509871151 /nfs/dbraw/zinc/87/11/51/509871151.db2.gz CHXUYVSPFRBAOQ-ZWKOTPCHSA-N 0 0 374.529 2.931 20 10 FFCDRN COc1ccc([C@@H]2[C@@H](C(=O)NCc3ccccc3O)CCC(=O)N2C)cc1 ZINC000265151981 509890809 /nfs/dbraw/zinc/89/08/09/509890809.db2.gz BSNQYTDGVVCJBV-FXAWDEMLSA-N 0 0 368.433 2.627 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)CC2)cc1F ZINC000177287311 509979842 /nfs/dbraw/zinc/97/98/42/509979842.db2.gz DHSRNXJDRHXOEY-XYPWUTKMSA-N 0 0 374.456 2.878 20 10 FFCDRN C[C@H](NCc1nnc2n1CCCC2)c1ccc(Br)cc1O ZINC000183856298 510009511 /nfs/dbraw/zinc/00/95/11/510009511.db2.gz FAMKFYFVERUPHW-JTQLQIEISA-N 0 0 351.248 2.933 20 10 FFCDRN Cc1cc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)[nH]c(=O)n1 ZINC000268619019 510038823 /nfs/dbraw/zinc/03/88/23/510038823.db2.gz COVXVAAPDKBGMR-UHFFFAOYSA-N 0 0 366.421 2.992 20 10 FFCDRN O=[N+]([O-])c1cnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000190318400 510059977 /nfs/dbraw/zinc/05/99/77/510059977.db2.gz ZKQDMACUVUHICL-UHFFFAOYSA-N 0 0 352.391 2.764 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(NC(=O)c2ccsc2)CC1 ZINC000180703890 510062741 /nfs/dbraw/zinc/06/27/41/510062741.db2.gz BLIMQWFHRNVTDO-DUXPYHPUSA-N 0 0 372.446 2.594 20 10 FFCDRN CC(=O)c1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000268825647 510093278 /nfs/dbraw/zinc/09/32/78/510093278.db2.gz AZNLZPPKSFBGTB-UHFFFAOYSA-N 0 0 370.424 2.919 20 10 FFCDRN Cc1ccc(CS(=O)(=O)N2CCOc3cc(N(C)C)ccc32)cc1F ZINC000184176289 510174654 /nfs/dbraw/zinc/17/46/54/510174654.db2.gz QQOULMBUGGOPFW-UHFFFAOYSA-N 0 0 364.442 2.929 20 10 FFCDRN Cn1cc(NC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000174652814 510230672 /nfs/dbraw/zinc/23/06/72/510230672.db2.gz YVADTRZFVRKLPQ-GFCCVEGCSA-N 0 0 365.384 2.812 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccncc3)cc2F)C[C@@H](C)O1 ZINC000265876893 510276949 /nfs/dbraw/zinc/27/69/49/510276949.db2.gz HWBQNJVTXWASLP-HUUCEWRRSA-N 0 0 357.429 2.693 20 10 FFCDRN COc1cccc(CNC(=O)NCc2cccc3c2OCCCO3)c1O ZINC000269263909 510314885 /nfs/dbraw/zinc/31/48/85/510314885.db2.gz CDGLFPLVZGBKOT-UHFFFAOYSA-N 0 0 358.394 2.562 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000265944201 510315996 /nfs/dbraw/zinc/31/59/96/510315996.db2.gz LYUBOVPASTXAJF-KRWDZBQOSA-N 0 0 351.454 2.875 20 10 FFCDRN CN1C(=O)CC[C@H](C(=O)NCCc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC000262586876 510327285 /nfs/dbraw/zinc/32/72/85/510327285.db2.gz WFGKHSPJXMLHHW-AZUAARDMSA-N 0 0 351.450 2.537 20 10 FFCDRN O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000181294254 510342523 /nfs/dbraw/zinc/34/25/23/510342523.db2.gz BSZJAPFMZAYVCZ-PXYYCUNGSA-N 0 0 354.410 2.513 20 10 FFCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000262659844 510356982 /nfs/dbraw/zinc/35/69/82/510356982.db2.gz WVXDXUAQGCTTJY-OAHLLOKOSA-N 0 0 366.465 2.555 20 10 FFCDRN COc1cc(Cl)cc(CN2CCS(=O)(=O)c3ccccc3C2)c1O ZINC000187688272 510388253 /nfs/dbraw/zinc/38/82/53/510388253.db2.gz FNROWLIILPEIFD-UHFFFAOYSA-N 0 0 367.854 2.844 20 10 FFCDRN Cc1cc(=O)c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c[nH]1 ZINC000266153597 510435427 /nfs/dbraw/zinc/43/54/27/510435427.db2.gz OKZUVJGZDBPWMP-OKILXGFUSA-N 0 0 373.428 2.778 20 10 FFCDRN COC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@H]1C ZINC000188030812 510557138 /nfs/dbraw/zinc/55/71/38/510557138.db2.gz JRANYYDFNBUDLZ-CZUORRHYSA-N 0 0 355.438 2.760 20 10 FFCDRN O=Cc1cccc(OCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000269870318 510577115 /nfs/dbraw/zinc/57/71/15/510577115.db2.gz YPZQFRKSBJICQL-LJQANCHMSA-N 0 0 369.417 2.791 20 10 FFCDRN NC(=O)c1ccc(F)c(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000175314350 510584280 /nfs/dbraw/zinc/58/42/80/510584280.db2.gz AHISRQKXZQDAOA-UHFFFAOYSA-N 0 0 357.385 2.831 20 10 FFCDRN NC(=O)CSc1ccccc1C(=O)N1CCS[C@H]2CCCC[C@H]21 ZINC000175420778 510639373 /nfs/dbraw/zinc/63/93/73/510639373.db2.gz FDNXMHFFGKBDFC-HIFRSBDPSA-N 0 0 350.509 2.764 20 10 FFCDRN Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N(C)Cc1ccccc1O ZINC000175503645 510666004 /nfs/dbraw/zinc/66/60/04/510666004.db2.gz RQYAMFPIKATROQ-UHFFFAOYSA-N 0 0 374.462 2.513 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC2(CCOCC2)C1 ZINC000266690156 510732235 /nfs/dbraw/zinc/73/22/35/510732235.db2.gz DYPYJAGIRLFBBI-UHFFFAOYSA-N 0 0 373.497 2.625 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCC(=O)NC1CC1 ZINC000266700396 510736775 /nfs/dbraw/zinc/73/67/75/510736775.db2.gz WNIKABPVHTXTNV-UHFFFAOYSA-N 0 0 360.502 2.731 20 10 FFCDRN CCc1onc(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000270308633 510755319 /nfs/dbraw/zinc/75/53/19/510755319.db2.gz QHASPJIOOQSEFJ-UHFFFAOYSA-N 0 0 370.453 2.741 20 10 FFCDRN C[C@H](NC(=O)NCc1ccccc1O)c1cccc(N2CCOC2=O)c1 ZINC000263697270 510796869 /nfs/dbraw/zinc/79/68/69/510796869.db2.gz HSGWTTAIWYONSZ-ZDUSSCGKSA-N 0 0 355.394 2.909 20 10 FFCDRN CC[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000178869450 510813033 /nfs/dbraw/zinc/81/30/33/510813033.db2.gz RBHGRYLRWJSSFT-NHCUHLMSSA-N 0 0 367.493 2.607 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@@H]2c2nccn2C)cc1F ZINC000297258806 510876145 /nfs/dbraw/zinc/87/61/45/510876145.db2.gz OZGNBUQLBXQHRN-INIZCTEOSA-N 0 0 359.449 2.918 20 10 FFCDRN CCc1ccc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)s1 ZINC000285361324 510876217 /nfs/dbraw/zinc/87/62/17/510876217.db2.gz VPIPZGMJMKMDAC-UHFFFAOYSA-N 0 0 369.490 2.619 20 10 FFCDRN COC[C@@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000360189091 510883096 /nfs/dbraw/zinc/88/30/96/510883096.db2.gz SDQUZDYCNSCQEZ-ZDUSSCGKSA-N 0 0 371.428 2.839 20 10 FFCDRN Fc1ccc([C@@H](NCc2ccc(N3CCOCC3)cc2)c2nc[nH]n2)cc1 ZINC000293954574 510909501 /nfs/dbraw/zinc/90/95/01/510909501.db2.gz ZOUAHYPDCFPGDG-LJQANCHMSA-N 0 0 367.428 2.660 20 10 FFCDRN CS(=O)(=O)NCCC[NH2+][C@H](CCc1ccccc1)c1ccccc1O ZINC000293960238 510911166 /nfs/dbraw/zinc/91/11/66/510911166.db2.gz ZVEBCZFVJJLICZ-GOSISDBHSA-N 0 0 362.495 2.595 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ccnc4ccncc43)cc2)CC1 ZINC000276361295 510934312 /nfs/dbraw/zinc/93/43/12/510934312.db2.gz VTJIEOSXTUBYAE-UHFFFAOYSA-N 0 0 361.449 2.910 20 10 FFCDRN Cc1cc(C(=O)NCc2cccc(-n3cncn3)c2)c(C)n1-c1ccccn1 ZINC000364555266 510936223 /nfs/dbraw/zinc/93/62/23/510936223.db2.gz GWBARZXTKIZSGW-UHFFFAOYSA-N 0 0 372.432 3.000 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000277321517 510960901 /nfs/dbraw/zinc/96/09/01/510960901.db2.gz UGEKCAUMVPHHKX-GDBMZVCRSA-N 0 0 364.829 2.767 20 10 FFCDRN Cc1nnc([C@@H](C)NC(=O)NCc2cccc(Br)c2O)s1 ZINC000277293149 510961046 /nfs/dbraw/zinc/96/10/46/510961046.db2.gz BNVWSAPZYBLXLH-SSDOTTSWSA-N 0 0 371.260 2.875 20 10 FFCDRN CCN(CC)c1ccc(C[NH2+][C@H](CC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000277512558 510964916 /nfs/dbraw/zinc/96/49/16/510964916.db2.gz YGOFWILMMGDINE-MRXNPFEDSA-N 0 0 350.459 2.807 20 10 FFCDRN CCCCS(=O)(=O)c1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000277820750 510973740 /nfs/dbraw/zinc/97/37/40/510973740.db2.gz WJVCHXMDAXEFNQ-UHFFFAOYSA-N 0 0 363.435 2.602 20 10 FFCDRN Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000277867415 510975188 /nfs/dbraw/zinc/97/51/88/510975188.db2.gz AQYJSBSKMOTNMR-UHFFFAOYSA-N 0 0 355.394 2.670 20 10 FFCDRN COc1cccc([C@@H](NC(=O)c2ccc(C)c(O)c2O)c2nccn2C)c1 ZINC000360987157 510976198 /nfs/dbraw/zinc/97/61/98/510976198.db2.gz ZPDABCWQTNPAAT-MRXNPFEDSA-N 0 0 367.405 2.668 20 10 FFCDRN CCCCCc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000278073980 510980701 /nfs/dbraw/zinc/98/07/01/510980701.db2.gz NFNPGXXGJJZJQW-UHFFFAOYSA-N 0 0 372.469 2.702 20 10 FFCDRN COc1c(O)c(CNc2ccc(C(=O)N(C)C)c(C)c2)ccc1[N+](=O)[O-] ZINC000278129623 510982051 /nfs/dbraw/zinc/98/20/51/510982051.db2.gz BYBJZSHLCAQUMS-UHFFFAOYSA-N 0 0 359.382 2.931 20 10 FFCDRN COC(=O)c1coc([C@@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000278334501 510989644 /nfs/dbraw/zinc/98/96/44/510989644.db2.gz WPLOFRKDGJTMSK-CYBMUJFWSA-N 0 0 362.401 2.893 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC000278634135 511001418 /nfs/dbraw/zinc/00/14/18/511001418.db2.gz HDKDFJGMTWNHKV-UHFFFAOYSA-N 0 0 360.366 2.760 20 10 FFCDRN CS(=O)(=O)[C@H]1CCCCN(Cc2cc(Br)ccc2O)C1 ZINC000278777561 511006077 /nfs/dbraw/zinc/00/60/77/511006077.db2.gz VIISOVHKECKEBV-ZDUSSCGKSA-N 0 0 362.289 2.554 20 10 FFCDRN COc1c(O)c(CNc2ccc(N3CCC(O)CC3)cc2)ccc1[N+](=O)[O-] ZINC000278866597 511011306 /nfs/dbraw/zinc/01/13/06/511011306.db2.gz MMRCVRHHCJBZOP-UHFFFAOYSA-N 0 0 373.409 2.882 20 10 FFCDRN CC[C@H](c1ccncc1)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000297626240 511013416 /nfs/dbraw/zinc/01/34/16/511013416.db2.gz CTWRZHRLJOZRQJ-LJQANCHMSA-N 0 0 368.481 2.716 20 10 FFCDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc(N3CCCC3)cc2)n1 ZINC000286027227 511017630 /nfs/dbraw/zinc/01/76/30/511017630.db2.gz GFPSCSQYDZRUMZ-UHFFFAOYSA-N 0 0 356.382 2.989 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000279059810 511018280 /nfs/dbraw/zinc/01/82/80/511018280.db2.gz BUNIGEVGJHNQQO-UHFFFAOYSA-N 0 0 358.350 2.690 20 10 FFCDRN CC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@@H](C)[S@@]1=O ZINC000286619426 511028801 /nfs/dbraw/zinc/02/88/01/511028801.db2.gz CFIJYKSDCFKVKD-ZCBSFCEKSA-N 0 0 359.495 2.861 20 10 FFCDRN C[C@@H](C1CCCCC1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000282565681 511029147 /nfs/dbraw/zinc/02/91/47/511029147.db2.gz UQTLDONEXTVOEO-LBPRGKRZSA-N 0 0 354.472 2.805 20 10 FFCDRN Cc1c(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)nnn1C ZINC000282613923 511046585 /nfs/dbraw/zinc/04/65/85/511046585.db2.gz JOUQWGUFPCHGAY-LBPRGKRZSA-N 0 0 361.877 2.943 20 10 FFCDRN CNC(=O)OC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287450866 511049668 /nfs/dbraw/zinc/04/96/68/511049668.db2.gz GLSJCZJTOJKSRL-SFHVURJKSA-N 0 0 374.485 2.707 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cccc2c1CNC2=O ZINC000287749761 511056808 /nfs/dbraw/zinc/05/68/08/511056808.db2.gz PCYAPXYLHMVTBF-UHFFFAOYSA-N 0 0 351.406 2.836 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H](Oc2ncccc2F)C1 ZINC000279367272 511058174 /nfs/dbraw/zinc/05/81/74/511058174.db2.gz WCZWAVYYDHDLHC-OWNNVSBGSA-N 0 0 358.369 2.715 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CCCSC1 ZINC000287818977 511058323 /nfs/dbraw/zinc/05/83/23/511058323.db2.gz VJHUZKOMCRUDFF-LLVKDONJSA-N 0 0 354.859 2.953 20 10 FFCDRN COCCCONC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000287939689 511060606 /nfs/dbraw/zinc/06/06/06/511060606.db2.gz FQNBMKWWHGPYMZ-CYBMUJFWSA-N 0 0 373.400 2.524 20 10 FFCDRN Oc1ccc(Br)cc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000282654791 511062699 /nfs/dbraw/zinc/06/26/99/511062699.db2.gz IEBHLCMOBMBCAF-WBMJQRKESA-N 0 0 370.287 2.812 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000288106771 511064932 /nfs/dbraw/zinc/06/49/32/511064932.db2.gz IMETXWYOPZZFHM-INIZCTEOSA-N 0 0 360.479 2.649 20 10 FFCDRN Cc1cccc(CN(C)C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000288421271 511074185 /nfs/dbraw/zinc/07/41/85/511074185.db2.gz CUVFXUTZGOCWKL-UHFFFAOYSA-N 0 0 363.461 2.646 20 10 FFCDRN CCOCC(C)(C)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000288551103 511079587 /nfs/dbraw/zinc/07/95/87/511079587.db2.gz IVKRPDPYGYVVFI-UHFFFAOYSA-N 0 0 367.465 2.524 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)CCn3ccnn3)cc2Cl)C1 ZINC000282713048 511083191 /nfs/dbraw/zinc/08/31/91/511083191.db2.gz RAYDVQJRUTZWAF-AWEZNQCLSA-N 0 0 361.877 2.874 20 10 FFCDRN CS[C@H]1CCC[C@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000288803882 511086582 /nfs/dbraw/zinc/08/65/82/511086582.db2.gz ZFORXXFYFLKBNR-RDJZCZTQSA-N 0 0 363.527 2.501 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCCCO1 ZINC000288828012 511087570 /nfs/dbraw/zinc/08/75/70/511087570.db2.gz CWISGDLBULHYGW-QGZVFWFLSA-N 0 0 362.470 2.596 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnn4ccc(C)cc34)CC2)cc1 ZINC000271132787 511092476 /nfs/dbraw/zinc/09/24/76/511092476.db2.gz SLDBTHKYWMRYDU-UHFFFAOYSA-N 0 0 350.422 2.614 20 10 FFCDRN CC[C@H](C)Cc1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000289186984 511094836 /nfs/dbraw/zinc/09/48/36/511094836.db2.gz PYZUFFWYESJSKP-HNNXBMFYSA-N 0 0 372.469 2.558 20 10 FFCDRN COc1ccc(O)c(CNc2cc(CS(C)(=O)=O)ccc2OC)c1 ZINC000289721894 511112200 /nfs/dbraw/zinc/11/22/00/511112200.db2.gz PIHGXSRCPMTKRI-UHFFFAOYSA-N 0 0 351.424 2.566 20 10 FFCDRN CC[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000289714467 511112311 /nfs/dbraw/zinc/11/23/11/511112311.db2.gz JFOAITGZXPMZMN-CQSZACIVSA-N 0 0 359.257 2.914 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1snnc1C1CC1 ZINC000289862698 511117936 /nfs/dbraw/zinc/11/79/36/511117936.db2.gz OPJWGNLKCUUNAT-UHFFFAOYSA-N 0 0 372.494 2.554 20 10 FFCDRN CC(C)n1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nn1 ZINC000289926476 511120365 /nfs/dbraw/zinc/12/03/65/511120365.db2.gz ZUMJWWHMMBKPBR-GJZGRUSLSA-N 0 0 361.465 2.902 20 10 FFCDRN Cc1ncc2n1CC[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)C2 ZINC000290761443 511150268 /nfs/dbraw/zinc/15/02/68/511150268.db2.gz KHEJHMLFXDSHKL-QFBILLFUSA-N 0 0 369.465 2.667 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@H](NC(N)=O)c1cccs1 ZINC000298076413 511167733 /nfs/dbraw/zinc/16/77/33/511167733.db2.gz MYRWJMGLTDQWNX-INIZCTEOSA-N 0 0 374.510 2.962 20 10 FFCDRN CC(C)Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O ZINC000291536173 511236235 /nfs/dbraw/zinc/23/62/35/511236235.db2.gz LRAZUFMBNVSJIB-UHFFFAOYSA-N 0 0 357.458 2.512 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)c1cnn(C)c1 ZINC000279871894 511247686 /nfs/dbraw/zinc/24/76/86/511247686.db2.gz JPRLOKBOHWZYOA-UHFFFAOYSA-N 0 0 356.470 2.886 20 10 FFCDRN COCc1cc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)no1 ZINC000298351877 511254428 /nfs/dbraw/zinc/25/44/28/511254428.db2.gz JUIFEQXNCDHEFB-KBPBESRZSA-N 0 0 363.433 2.864 20 10 FFCDRN CC1(C)CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@H]1[C@@H]1CCCO1 ZINC000291666644 511288708 /nfs/dbraw/zinc/28/87/08/511288708.db2.gz QVMPWGVBNLKSKL-VPAMFCPISA-N 0 0 370.493 2.952 20 10 FFCDRN CN(C)c1ccc(C[N@@H+]2CCC[C@H](C[N-]C(=O)C(F)(F)F)C2)cc1F ZINC000291669232 511290344 /nfs/dbraw/zinc/29/03/44/511290344.db2.gz WECGZKXFFMYUCZ-CYBMUJFWSA-N 0 0 361.383 2.782 20 10 FFCDRN COc1ccc(N(Cc2ccco2)C[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000279982499 511290501 /nfs/dbraw/zinc/29/05/01/511290501.db2.gz JUKPUZYWYKKRDO-ZDUSSCGKSA-N 0 0 353.415 2.869 20 10 FFCDRN COc1cccc(CNC(=O)NC2CCC(c3nc(C)no3)CC2)c1O ZINC000363039394 511314500 /nfs/dbraw/zinc/31/45/00/511314500.db2.gz VGELYZRXKVKQTO-UHFFFAOYSA-N 0 0 360.414 2.618 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc2n[nH]cc2c1 ZINC000280073513 511326005 /nfs/dbraw/zinc/32/60/05/511326005.db2.gz XUNGCCKNMNLMKE-UHFFFAOYSA-N 0 0 364.449 2.601 20 10 FFCDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1c(F)ccc(O)c1O ZINC000295241852 511333949 /nfs/dbraw/zinc/33/39/49/511333949.db2.gz LQZRNTCNEPAWGB-UHFFFAOYSA-N 0 0 360.385 2.601 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CC2(CCOCC2)O1 ZINC000280100588 511335384 /nfs/dbraw/zinc/33/53/84/511335384.db2.gz OHYDNKWXUCOGQT-KRWDZBQOSA-N 0 0 373.497 2.766 20 10 FFCDRN CCOC(=O)[C@@]1(CCSc2ncc(C(=O)OC)s2)CCCC1=O ZINC000295291290 511350509 /nfs/dbraw/zinc/35/05/09/511350509.db2.gz LOFNNMROGROWMG-OAHLLOKOSA-N 0 0 357.453 2.714 20 10 FFCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cn(C)nn2)cc1 ZINC000291835173 511358295 /nfs/dbraw/zinc/35/82/95/511358295.db2.gz FAAHTZQJGOWGCB-UHFFFAOYSA-N 0 0 365.437 2.737 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H](COC)[C@@H]1CCCO1 ZINC000283425501 511362370 /nfs/dbraw/zinc/36/23/70/511362370.db2.gz RYEHAFFRKBZBEY-WMZOPIPTSA-N 0 0 350.459 2.898 20 10 FFCDRN COC(=O)c1cnc(SCCOc2cccc(S(C)(=O)=O)c2)s1 ZINC000295333648 511367330 /nfs/dbraw/zinc/36/73/30/511367330.db2.gz PEKHLINARSRPPR-UHFFFAOYSA-N 0 0 373.477 2.504 20 10 FFCDRN COc1cccc(CNC(=O)NCc2nc3cc(C)ccc3n2C)c1O ZINC000283468719 511378242 /nfs/dbraw/zinc/37/82/42/511378242.db2.gz WCNMWZDZQSQVGW-UHFFFAOYSA-N 0 0 354.410 2.595 20 10 FFCDRN C/C=C/c1ccc(OCC(=O)NCCc2ccc(O)c(O)c2)c(OC)c1 ZINC000298750351 511398533 /nfs/dbraw/zinc/39/85/33/511398533.db2.gz CIDPOTBKQODBSU-ONEGZZNKSA-N 0 0 357.406 2.877 20 10 FFCDRN Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295469077 511415935 /nfs/dbraw/zinc/41/59/35/511415935.db2.gz WJTGPRHWPRPCRH-INIZCTEOSA-N 0 0 353.825 2.864 20 10 FFCDRN CCn1nc(C)c(CC(=O)NCc2cccc(Br)c2O)c1C ZINC000295501601 511427428 /nfs/dbraw/zinc/42/74/28/511427428.db2.gz YJYYVZLCOLDMQQ-UHFFFAOYSA-N 0 0 366.259 2.847 20 10 FFCDRN Cc1ccoc1CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000292029627 511437184 /nfs/dbraw/zinc/43/71/84/511437184.db2.gz UFVWDLYYDZJYAZ-UHFFFAOYSA-N 0 0 357.454 2.796 20 10 FFCDRN O=C1[C@@H]2CCCN2C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000272136145 511442735 /nfs/dbraw/zinc/44/27/35/511442735.db2.gz KZHZAZOWGGPJRO-HIFRSBDPSA-N 0 0 365.380 2.683 20 10 FFCDRN CC(=O)CCc1ccc(OCCC(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000272320035 511491019 /nfs/dbraw/zinc/49/10/19/511491019.db2.gz KDTQGTNZGPVURS-UHFFFAOYSA-N 0 0 357.406 2.705 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)Cc2ccncc2)cc1 ZINC000272344663 511491957 /nfs/dbraw/zinc/49/19/57/511491957.db2.gz BDYZDYLZWXFBLL-HXUWFJFHSA-N 0 0 353.466 2.898 20 10 FFCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272488399 511496073 /nfs/dbraw/zinc/49/60/73/511496073.db2.gz RKINAJXHHOZPSP-STMXVASLSA-N 0 0 362.426 2.579 20 10 FFCDRN COc1cc(N2CCN(C(=O)[C@@H]3CC=CC[C@H]3C)CC2)cc(OC)c1OC ZINC000283807286 511506524 /nfs/dbraw/zinc/50/65/24/511506524.db2.gz BUPZUERNWLTXMT-NVXWUHKLSA-N 0 0 374.481 2.963 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccccc1O ZINC000272873994 511511080 /nfs/dbraw/zinc/51/10/80/511511080.db2.gz PEZXPRKLNOMBNU-MRXNPFEDSA-N 0 0 353.466 2.631 20 10 FFCDRN C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273302378 511521878 /nfs/dbraw/zinc/52/18/78/511521878.db2.gz BUBQGQBRKZADQD-GFCCVEGCSA-N 0 0 359.382 2.849 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccc(F)cc1[O-] ZINC000273420147 511524602 /nfs/dbraw/zinc/52/46/02/511524602.db2.gz RXXHKTJXMWFRCD-OAHLLOKOSA-N 0 0 371.456 2.770 20 10 FFCDRN COc1ccc(N2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)cc1F ZINC000273408906 511525143 /nfs/dbraw/zinc/52/51/43/511525143.db2.gz XGQWZQJVVIPHDH-UHFFFAOYSA-N 0 0 364.442 2.564 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cccc(N3CCNC3=O)c2)c1 ZINC000273497007 511528944 /nfs/dbraw/zinc/52/89/44/511528944.db2.gz PHRUQWOBVNFBBS-LBPRGKRZSA-N 0 0 355.394 2.882 20 10 FFCDRN CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000295851811 511535305 /nfs/dbraw/zinc/53/53/05/511535305.db2.gz BAQPSHVQYHAQMY-MQNRADLISA-N 0 0 366.527 2.590 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2cccnc2)cc1 ZINC000283911776 511541310 /nfs/dbraw/zinc/54/13/10/511541310.db2.gz GRNYETHRLRZNDC-INIZCTEOSA-N 0 0 368.481 2.764 20 10 FFCDRN CC(=O)CCCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000299247884 511564763 /nfs/dbraw/zinc/56/47/63/511564763.db2.gz OCCCBUFQAAHOFQ-GJZGRUSLSA-N 0 0 350.434 2.815 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CCC(F)(F)F)cc1 ZINC000283985031 511566212 /nfs/dbraw/zinc/56/62/12/511566212.db2.gz TWVKCZODVQGDIO-UHFFFAOYSA-N 0 0 350.406 2.999 20 10 FFCDRN CC(C)(C)SCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284006853 511573596 /nfs/dbraw/zinc/57/35/96/511573596.db2.gz KJIIUYNUGUOFBN-UHFFFAOYSA-N 0 0 363.527 2.551 20 10 FFCDRN CCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(OC)cc1 ZINC000299335649 511596931 /nfs/dbraw/zinc/59/69/31/511596931.db2.gz CYFCGTMLEZGGER-UHFFFAOYSA-N 0 0 362.451 2.564 20 10 FFCDRN COC1CCN(c2ccc(Cn3nc(C(F)(F)F)ccc3=O)cc2)CC1 ZINC000296048962 511601567 /nfs/dbraw/zinc/60/15/67/511601567.db2.gz QGZUSOUZULDVJH-UHFFFAOYSA-N 0 0 367.371 2.926 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(C)s1 ZINC000284122482 511613046 /nfs/dbraw/zinc/61/30/46/511613046.db2.gz RIUHTLUDCGPVRH-UHFFFAOYSA-N 0 0 359.495 2.787 20 10 FFCDRN COC1CCN(c2ccc(CN3CC[S@](=O)C[C@@H](C)C3)cc2)CC1 ZINC000296081533 511613450 /nfs/dbraw/zinc/61/34/50/511613450.db2.gz SLUZPRJUVRBVNP-FYSMJZIKSA-N 0 0 350.528 2.502 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 ZINC000363539540 511615063 /nfs/dbraw/zinc/61/50/63/511615063.db2.gz LUTFPQUHIWQCGG-CQSZACIVSA-N 0 0 354.406 2.608 20 10 FFCDRN Cc1cccc(CN(C)C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000284154460 511624768 /nfs/dbraw/zinc/62/47/68/511624768.db2.gz QRSDYCHPCZCFAZ-UHFFFAOYSA-N 0 0 365.477 2.870 20 10 FFCDRN O=C(NCCC[C@H]1CCCCO1)NCc1ccc(N2CCOCC2)cc1 ZINC000273866059 511637987 /nfs/dbraw/zinc/63/79/87/511637987.db2.gz VKMGMRIHPYTDAM-LJQANCHMSA-N 0 0 361.486 2.672 20 10 FFCDRN CC(C)N(C)c1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1F ZINC000299462606 511645638 /nfs/dbraw/zinc/64/56/38/511645638.db2.gz AFAYMWORSMCZTB-UHFFFAOYSA-N 0 0 359.401 2.631 20 10 FFCDRN COc1cccc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000284263651 511660654 /nfs/dbraw/zinc/66/06/54/511660654.db2.gz VWSRIMJUNZITTJ-HNNXBMFYSA-N 0 0 369.465 2.597 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000299520234 511661561 /nfs/dbraw/zinc/66/15/61/511661561.db2.gz QDGLOHVUAPQGCL-UHFFFAOYSA-N 0 0 368.389 2.689 20 10 FFCDRN O=C(NCc1ccccc1O)NCc1cccnc1OCC(F)(F)F ZINC000299543465 511662357 /nfs/dbraw/zinc/66/23/57/511662357.db2.gz WAQWFHRMFXLOTO-UHFFFAOYSA-N 0 0 355.316 2.728 20 10 FFCDRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000299688248 511667351 /nfs/dbraw/zinc/66/73/51/511667351.db2.gz LHLSRBDCLLJHCP-GDBMZVCRSA-N 0 0 363.477 2.793 20 10 FFCDRN C[C@@H](CCc1ccco1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284291539 511671439 /nfs/dbraw/zinc/67/14/39/511671439.db2.gz UAAONJYQXLKWJZ-INIZCTEOSA-N 0 0 369.465 2.634 20 10 FFCDRN C[C@@H](C1CC1)N(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000284326657 511684372 /nfs/dbraw/zinc/68/43/72/511684372.db2.gz WVBRQMAGAJAPJB-HNNXBMFYSA-N 0 0 355.482 2.693 20 10 FFCDRN Nc1nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc2ccccc12 ZINC000301790454 511701778 /nfs/dbraw/zinc/70/17/78/511701778.db2.gz QNBKNBMJOOKJDZ-UHFFFAOYSA-N 0 0 367.428 2.924 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](Oc4cccc(F)c4)C3)cc2N1 ZINC000302116822 511707308 /nfs/dbraw/zinc/70/73/08/511707308.db2.gz CIKKYTCZSPOWIE-ZDUSSCGKSA-N 0 0 373.340 2.723 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1OC ZINC000302395378 511708229 /nfs/dbraw/zinc/70/82/29/511708229.db2.gz JBFTYXYXDRTUPE-UHFFFAOYSA-N 0 0 373.413 2.539 20 10 FFCDRN COC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(OC)c1 ZINC000281081427 511712626 /nfs/dbraw/zinc/71/26/26/511712626.db2.gz RBCSDZZWAYGRLY-LLVKDONJSA-N 0 0 374.393 2.646 20 10 FFCDRN CCn1nc(C)c(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000296443891 511744714 /nfs/dbraw/zinc/74/47/14/511744714.db2.gz NVQACSFJKZDUMW-KBPBESRZSA-N 0 0 361.465 2.649 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000296469910 511756425 /nfs/dbraw/zinc/75/64/25/511756425.db2.gz NSLUXKDPOKNGGA-IJEWVQPXSA-N 0 0 368.433 2.521 20 10 FFCDRN Cc1c(Cl)cncc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000296508965 511773351 /nfs/dbraw/zinc/77/33/51/511773351.db2.gz JZNPGXBIWRCNCA-UHFFFAOYSA-N 0 0 360.845 2.707 20 10 FFCDRN CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000296641013 511832974 /nfs/dbraw/zinc/83/29/74/511832974.db2.gz YCHOVOOLMTUUNR-MQNRADLISA-N 0 0 371.474 2.759 20 10 FFCDRN COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000363905690 511842038 /nfs/dbraw/zinc/84/20/38/511842038.db2.gz DZVRESMLKWTRIA-NSHDSACASA-N 0 0 371.224 2.524 20 10 FFCDRN COC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000274689517 511911627 /nfs/dbraw/zinc/91/16/27/511911627.db2.gz LZKLCHHXMXRMTB-UHFFFAOYSA-N 0 0 361.486 2.672 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000293348632 511932762 /nfs/dbraw/zinc/93/27/62/511932762.db2.gz BTZWALINFXCTOF-YOEHRIQHSA-N 0 0 368.433 2.588 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@@H](C)N(C)CC(F)(F)F)CC2)cc1 ZINC000366321992 511958844 /nfs/dbraw/zinc/95/88/44/511958844.db2.gz BXPUUCGKFPABRR-CQSZACIVSA-N 0 0 373.419 2.617 20 10 FFCDRN CN(C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](CO)c1ccccc1 ZINC000297042666 511997488 /nfs/dbraw/zinc/99/74/88/511997488.db2.gz BGZVGYZYNFYQMU-HXUWFJFHSA-N 0 0 351.450 2.938 20 10 FFCDRN CC(C)N1C(=S)N=NC1C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000275122166 512048408 /nfs/dbraw/zinc/04/84/08/512048408.db2.gz MJEZTFFCAOJTRC-UHFFFAOYSA-N 0 0 362.455 2.579 20 10 FFCDRN Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)nc1 ZINC000378043325 512561600 /nfs/dbraw/zinc/56/16/00/512561600.db2.gz IDTHUVSUWGNLCD-UHFFFAOYSA-N 0 0 369.421 2.601 20 10 FFCDRN COc1cc(N[C@H]2CCCN(C(=O)c3cccc(O)c3O)C2)cc(OC)c1 ZINC000376440984 512819494 /nfs/dbraw/zinc/81/94/94/512819494.db2.gz IBEBUXBVAZBCNG-ZDUSSCGKSA-N 0 0 372.421 2.832 20 10 FFCDRN NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000372776087 513038996 /nfs/dbraw/zinc/03/89/96/513038996.db2.gz KUXNRDOKLLUPDH-NSHDSACASA-N 0 0 363.820 2.652 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H]2COc3cc(F)cc(F)c32)c1O ZINC000374960648 513089952 /nfs/dbraw/zinc/08/99/52/513089952.db2.gz DDZRDVNUOBSZPI-GFCCVEGCSA-N 0 0 350.321 2.612 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(C)c(=O)c2ccccc12 ZINC000428647209 513152149 /nfs/dbraw/zinc/15/21/49/513152149.db2.gz HIVSHUFIZJMLEC-UHFFFAOYSA-N 0 0 363.417 2.644 20 10 FFCDRN Cc1ccc2c(c1)[nH]cc2C1=CCN(c2cncc(OCCO)n2)CC1 ZINC000436184170 513787072 /nfs/dbraw/zinc/78/70/72/513787072.db2.gz KHKIINCTGHUWSM-UHFFFAOYSA-N 0 0 350.422 2.931 20 10 FFCDRN Cn1cc(-c2n[nH]cc2C(=O)N2CCc3cc(Br)ccc32)cn1 ZINC000436313842 513823575 /nfs/dbraw/zinc/82/35/75/513823575.db2.gz XSQNVEOTZDXTKG-UHFFFAOYSA-N 0 0 372.226 2.776 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cnc(C(C)C)nc1 ZINC000484811056 514803786 /nfs/dbraw/zinc/80/37/86/514803786.db2.gz REBUKSKIVCQVRJ-UHFFFAOYSA-N 0 0 365.437 2.655 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCOc1cccc(C(N)=O)c1 ZINC000471228957 514807492 /nfs/dbraw/zinc/80/74/92/514807492.db2.gz RLSGPOVBGJGFSN-UHFFFAOYSA-N 0 0 365.433 2.671 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ccc(N(C)C)nc1 ZINC000471616509 514956268 /nfs/dbraw/zinc/95/62/68/514956268.db2.gz BOWLVUVVPOREGF-UHFFFAOYSA-N 0 0 351.454 2.947 20 10 FFCDRN CCNC(=O)[C@@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)C(C)C ZINC000499463921 515335312 /nfs/dbraw/zinc/33/53/12/515335312.db2.gz QPLXZNINSOFPLR-IBGZPJMESA-N 0 0 373.497 2.795 20 10 FFCDRN CCn1nc(C)c(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1C ZINC000472811694 515408024 /nfs/dbraw/zinc/40/80/24/515408024.db2.gz OJSZNABWCDPWJM-UHFFFAOYSA-N 0 0 367.453 2.575 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NC1CCC2(CC2)CC1 ZINC000511943201 516086648 /nfs/dbraw/zinc/08/66/48/516086648.db2.gz XGEOCTSLRIELSE-UHFFFAOYSA-N 0 0 353.466 2.942 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(Cn2ccnn2)cc1 ZINC000528859605 516755006 /nfs/dbraw/zinc/75/50/06/516755006.db2.gz FDSGPTKPYOMMRV-UHFFFAOYSA-N 0 0 362.433 2.841 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cncc(N2CCOCC2)c1 ZINC000548099995 516760656 /nfs/dbraw/zinc/76/06/56/516760656.db2.gz MKFOOZZKCJNHPC-UHFFFAOYSA-N 0 0 364.449 2.648 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000561779415 516768587 /nfs/dbraw/zinc/76/85/87/516768587.db2.gz ZOULZUXLFAKRHU-MRXNPFEDSA-N 0 0 368.481 2.641 20 10 FFCDRN C[C@@]1(Br)C[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000529169018 516977842 /nfs/dbraw/zinc/97/78/42/516977842.db2.gz HHRSPNPONAYVNW-QPUJVOFHSA-N 0 0 363.049 2.944 20 10 FFCDRN Cc1noc([C@H]2CCN(C(=O)NCc3c(C)c4ccccc4n3C)C2)n1 ZINC000519553195 517042572 /nfs/dbraw/zinc/04/25/72/517042572.db2.gz VPQLCIKZIWGVRZ-AWEZNQCLSA-N 0 0 353.426 2.877 20 10 FFCDRN C[C@@]1(Br)C[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000529391061 517120368 /nfs/dbraw/zinc/12/03/68/517120368.db2.gz XHAKZGPOPSWKTM-BXKDBHETSA-N 0 0 363.049 2.944 20 10 FFCDRN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000529679830 517281140 /nfs/dbraw/zinc/28/11/40/517281140.db2.gz QAZQVVDJNDEVEW-CKNLXJGOSA-N 0 0 358.301 2.949 20 10 FFCDRN Cc1cnc(-c2noc(-c3ccc(NC(=O)C4=S=CC=C4)cc3)n2)nc1 ZINC000545743454 517352712 /nfs/dbraw/zinc/35/27/12/517352712.db2.gz YRFYUPIAVVCITI-UHFFFAOYSA-N 0 0 363.402 2.718 20 10 FFCDRN O=S(=O)(c1cccc2nsnc21)N1CCc2c1c(F)ccc2F ZINC000517213028 518064542 /nfs/dbraw/zinc/06/45/42/518064542.db2.gz QUVRACKLLVFREP-UHFFFAOYSA-N 0 0 353.375 2.721 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](c1nncn1C)C(C)C ZINC000554143340 518083594 /nfs/dbraw/zinc/08/35/94/518083594.db2.gz GWBRALMGBXOEQZ-QGZVFWFLSA-N 0 0 354.458 2.812 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC(=O)N(CC4CC4)C3)ccc21 ZINC000571849273 519306687 /nfs/dbraw/zinc/30/66/87/519306687.db2.gz KBCLYASROJYADJ-UHFFFAOYSA-N 0 0 369.465 2.556 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H](n2ccnn2)C1 ZINC000566139103 519327318 /nfs/dbraw/zinc/32/73/18/519327318.db2.gz YSPJHSHWXRJMQN-OAHLLOKOSA-N 0 0 352.442 2.625 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)c3nccc(N)n3)ccc21 ZINC000615726312 521514815 /nfs/dbraw/zinc/51/48/15/521514815.db2.gz RBJFSTGBXDHDLW-CYBMUJFWSA-N 0 0 367.453 2.598 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1cccc(-c2nn[nH]n2)c1 ZINC000738076459 599010996 /nfs/dbraw/zinc/01/09/96/599010996.db2.gz SNIDTAMJFVDWPM-UHFFFAOYSA-N 0 0 361.456 2.627 20 10 FFCDRN Cc1cc(C(=O)N(C)C2CCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737226507 599250087 /nfs/dbraw/zinc/25/00/87/599250087.db2.gz AYYDQWXIKGEROF-UHFFFAOYSA-N 0 0 350.426 2.899 20 10 FFCDRN O=C([O-])C1CCC([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)CC1 ZINC000821504421 598103845 /nfs/dbraw/zinc/10/38/45/598103845.db2.gz WRIXIFJBSBBBGU-UHFFFAOYSA-N 0 0 350.434 2.520 20 10 FFCDRN Cc1cc(CCNc2nccnc2-c2nn[nH]n2)c(C)n1-c1ccccc1 ZINC000737263955 598339846 /nfs/dbraw/zinc/33/98/46/598339846.db2.gz YFWZQCRCNJFEIH-UHFFFAOYSA-N 0 0 360.425 2.719 20 10 FFCDRN CSCCCNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000737180579 599391743 /nfs/dbraw/zinc/39/17/43/599391743.db2.gz AKMBRLBTFYDHLJ-UHFFFAOYSA-N 0 0 370.482 2.757 20 10 FFCDRN COc1ccc(N2CCN(c3cc(Cl)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000737100256 599393356 /nfs/dbraw/zinc/39/33/56/599393356.db2.gz UXEZHSUCTCGPLH-UHFFFAOYSA-N 0 0 370.844 2.855 20 10 FFCDRN COc1ccc(N2CCCN(c3ccc(F)cc3-c3nn[nH]n3)CC2)cc1 ZINC000821831773 599487885 /nfs/dbraw/zinc/48/78/85/599487885.db2.gz MGGWZTUJJCRXST-UHFFFAOYSA-N 0 0 368.416 2.731 20 10 FFCDRN CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736344403 599705179 /nfs/dbraw/zinc/70/51/79/599705179.db2.gz BLMYQNUPJWHCLO-OAHLLOKOSA-N 0 0 370.449 2.980 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)c1O ZINC000833306824 601632263 /nfs/dbraw/zinc/63/22/63/601632263.db2.gz AEKWBLSGYXDSQK-ZWKOTPCHSA-N 0 0 357.406 2.623 20 10 FFCDRN O=C([O-])N1CCC[C@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740522030 602594649 /nfs/dbraw/zinc/59/46/49/602594649.db2.gz XQZKXXMDSXCBLW-HNNXBMFYSA-N 0 0 362.430 2.817 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1(C(=O)[O-])CCCCC1 ZINC000833694777 604643056 /nfs/dbraw/zinc/64/30/56/604643056.db2.gz CSWYUGNSTKPQAE-UHFFFAOYSA-N 0 0 350.434 2.882 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000825464051 604932933 /nfs/dbraw/zinc/93/29/33/604932933.db2.gz BQNLNNADPRBMKK-JZXOWHBKSA-N 0 0 361.486 2.952 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833695513 605041417 /nfs/dbraw/zinc/04/14/17/605041417.db2.gz OULLDVZOSIZYSZ-LJQANCHMSA-N 0 0 358.413 2.920 20 10 FFCDRN C[C@H](CC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl)NC(=O)[O-] ZINC000833805093 605847457 /nfs/dbraw/zinc/84/74/57/605847457.db2.gz MFFGUTIYLJUKFB-CHWSQXEVSA-N 0 0 355.866 2.873 20 10 FFCDRN Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(-c3nn[nH]n3)nn2)CC1 ZINC000826233432 608435942 /nfs/dbraw/zinc/43/59/42/608435942.db2.gz HCRONTLXHWOVCN-UHFFFAOYSA-N 0 0 358.409 2.740 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CCCS2(=O)=O)c(C)n1-c1ccccc1C ZINC000154252622 728800123 /nfs/dbraw/zinc/80/01/23/728800123.db2.gz SUDZQDDCFJHGKF-INIZCTEOSA-N 0 0 360.479 2.710 20 10 FFCDRN O=C(NCCCSc1nccs1)N(CCO)Cc1ccccc1 ZINC000154648453 728809275 /nfs/dbraw/zinc/80/92/75/728809275.db2.gz CHJWBUMCTJSJSB-UHFFFAOYSA-N 0 0 351.497 2.829 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](CCO)CSC)cc1F ZINC000154890185 728814995 /nfs/dbraw/zinc/81/49/95/728814995.db2.gz FKDLOODFJVMBLR-AWEZNQCLSA-N 0 0 357.495 2.585 20 10 FFCDRN Cn1cnc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1Cl ZINC000161774394 728935766 /nfs/dbraw/zinc/93/57/66/728935766.db2.gz LCBUXYBTDLTVAY-UHFFFAOYSA-N 0 0 369.874 2.913 20 10 FFCDRN CCN(C)C(=O)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(C)C ZINC000897888737 735289847 /nfs/dbraw/zinc/28/98/47/735289847.db2.gz GXNXBDFNMHLSEG-HNNXBMFYSA-N 0 0 350.440 2.545 20 10 FFCDRN Cc1ncc(Cl)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000743339465 735290176 /nfs/dbraw/zinc/29/01/76/735290176.db2.gz QTRWIQIGVFFITJ-AWEZNQCLSA-N 0 0 361.829 2.965 20 10 FFCDRN O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3c([O-])ccc(Cl)c3F)C2)c1Cl ZINC000898367750 735348628 /nfs/dbraw/zinc/34/86/28/735348628.db2.gz TXKRYBOVCVIHBB-MRVPVSSYSA-N 0 0 373.215 2.702 20 10 FFCDRN O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(F)c3[O-])C2)c1Cl ZINC000898367591 735348396 /nfs/dbraw/zinc/34/83/96/735348396.db2.gz RSEQDVPCQORNTL-SNVBAGLBSA-N 0 0 373.215 2.702 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000898516184 735373970 /nfs/dbraw/zinc/37/39/70/735373970.db2.gz NQPKLKXMNRSPNY-UKRRQHHQSA-N 0 0 350.415 2.948 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N(C)C)c(F)c2)C[C@@H](C(F)(F)F)O1 ZINC000745786781 735444440 /nfs/dbraw/zinc/44/44/40/735444440.db2.gz OAYCTZCDWGWAFD-YGRLFVJLSA-N 0 0 363.355 2.753 20 10 FFCDRN C[NH+]1CCN(c2ccc(CNC(=O)/C=C/C=C(Cl)Cl)cc2)CC1 ZINC000899212909 735460254 /nfs/dbraw/zinc/46/02/54/735460254.db2.gz ZUPRBODGPIDBTF-DUXPYHPUSA-N 0 0 354.281 2.930 20 10 FFCDRN CCCN(Cc1cc(C(C)(C)C)cc(O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000022013973 727836435 /nfs/dbraw/zinc/83/64/35/727836435.db2.gz VGTDHLKHAILBIH-HNNXBMFYSA-N 0 0 355.500 2.794 20 10 FFCDRN Cc1cc(S(=O)(=O)Nc2ccc(NS(C)(=O)=O)cc2)c(C)s1 ZINC000023398224 727845582 /nfs/dbraw/zinc/84/55/82/727845582.db2.gz WIGVSZLAGUNKSV-UHFFFAOYSA-N 0 0 360.482 2.537 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cc(Cl)cn2C)cc1 ZINC000026042537 727865176 /nfs/dbraw/zinc/86/51/76/727865176.db2.gz GDZOGDCRKWLQIH-UHFFFAOYSA-N 0 0 363.845 2.560 20 10 FFCDRN CCc1onc(C)c1/C=C1\SC(=S)N(CCCC(=O)OC)C1=O ZINC000899260873 735467599 /nfs/dbraw/zinc/46/75/99/735467599.db2.gz 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/nfs/dbraw/zinc/14/72/04/728147204.db2.gz OJWXFBXGTWBFTQ-UHFFFAOYSA-N 0 0 355.441 2.543 20 10 FFCDRN COc1ccc(Cl)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000064576583 728151298 /nfs/dbraw/zinc/15/12/98/728151298.db2.gz MWKXAPNDBOOTBC-UHFFFAOYSA-N 0 0 361.829 2.670 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cnc(-c3cnn(C)c3)s2)cc1 ZINC000066372243 728170771 /nfs/dbraw/zinc/17/07/71/728170771.db2.gz RZBUHHIQGAXONP-UHFFFAOYSA-N 0 0 355.467 2.882 20 10 FFCDRN Cc1ccc(C(F)(F)F)cc1NC(=O)C(=O)NCc1ccccc1O ZINC000746794170 735510329 /nfs/dbraw/zinc/51/03/29/735510329.db2.gz RYSRIFRRZXGJPY-UHFFFAOYSA-N 0 0 352.312 2.974 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CC[C@H](NC(=O)OC(C)(C)C)C2)c1O ZINC000079432496 728312952 /nfs/dbraw/zinc/31/29/52/728312952.db2.gz IEFBZCSVEGVBIC-AWEZNQCLSA-N 0 0 352.406 2.833 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc([S@@](C)=O)cc2)cc1 ZINC000080199031 728323626 /nfs/dbraw/zinc/32/36/26/728323626.db2.gz AFGGQJRKGKPPJD-VWLOTQADSA-N 0 0 359.495 2.832 20 10 FFCDRN 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ZINC000868306868 731279919 /nfs/dbraw/zinc/27/99/19/731279919.db2.gz FPIWYAZOAUPNFP-OAHLLOKOSA-N 0 0 372.259 2.603 20 10 FFCDRN CCc1ncc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)s1 ZINC000870163798 731478023 /nfs/dbraw/zinc/47/80/23/731478023.db2.gz GKRXRJTUEJOFAW-UHFFFAOYSA-N 0 0 361.467 2.685 20 10 FFCDRN CC(C)c1nnc(NC(=O)CCC(=O)N2Cc3cccc(O)c3C2)s1 ZINC000871203483 731605973 /nfs/dbraw/zinc/60/59/73/731605973.db2.gz MNQAMCXAGGWJIZ-UHFFFAOYSA-N 0 0 360.439 2.628 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000871909096 731699338 /nfs/dbraw/zinc/69/93/38/731699338.db2.gz VUNCFHLFUSTSHL-WPGHFRTFSA-N 0 0 364.829 2.767 20 10 FFCDRN CCOC1CC2(C[C@@H]2N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000871915519 731700544 /nfs/dbraw/zinc/70/05/44/731700544.db2.gz JIORZEPNPNTVSU-DBQDNQAGSA-N 0 0 364.829 2.767 20 10 FFCDRN CC(C)(C)[S@](C)(=O)=NS(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000872436239 731767118 /nfs/dbraw/zinc/76/71/18/731767118.db2.gz WFVSSEMOMFWSJD-QHCPKHFHSA-N 0 0 373.544 2.518 20 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Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](Cn3ccnn3)C2)c1 ZINC000781908236 738670883 /nfs/dbraw/zinc/67/08/83/738670883.db2.gz GPBOZRINUOPBML-ZDUSSCGKSA-N 0 0 365.275 2.967 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H](CCC(N)=O)C2)c1 ZINC000781904554 738670219 /nfs/dbraw/zinc/67/02/19/738670219.db2.gz ICQYSLUDBHDZEJ-LBPRGKRZSA-N 0 0 355.276 2.941 20 10 FFCDRN O=C(C1CC1)N1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882886871 733307993 /nfs/dbraw/zinc/30/79/93/733307993.db2.gz QEAISHXKQCZDGW-UHFFFAOYSA-N 0 0 371.250 2.784 20 10 FFCDRN COCCOC[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883018498 733321837 /nfs/dbraw/zinc/32/18/37/733321837.db2.gz GCRDMKFOPBRBHF-SECBINFHSA-N 0 0 352.656 2.949 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H](CO)[C@H]1CCOC1 ZINC000883109633 733335240 /nfs/dbraw/zinc/33/52/40/733335240.db2.gz YSBXUZZIESKXKK-GXSJLCMTSA-N 0 0 364.667 2.543 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000883109635 733335486 /nfs/dbraw/zinc/33/54/86/733335486.db2.gz 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CNC(=O)[C@@]1(C)CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000708210877 734362931 /nfs/dbraw/zinc/36/29/31/734362931.db2.gz IHSBJSQOOSXWSO-AWEZNQCLSA-N 0 0 361.667 2.766 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)CC3CCCCC3)CC2)cc1 ZINC000725816626 734393081 /nfs/dbraw/zinc/39/30/81/734393081.db2.gz JRMOFXRWEDDALS-UHFFFAOYSA-N 0 0 352.500 2.727 20 10 FFCDRN C[C@H](NC(=O)c1cc(N)nc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000726770571 734443799 /nfs/dbraw/zinc/44/37/99/734443799.db2.gz XJXLTKUXVUSYOJ-LBPRGKRZSA-N 0 0 360.845 2.645 20 10 FFCDRN O=C(NCCOC1CCSCC1)NCc1ccc(N2CCCC2)cc1 ZINC000892004114 734505456 /nfs/dbraw/zinc/50/54/56/734505456.db2.gz HKALEYNAYXFJTP-UHFFFAOYSA-N 0 0 363.527 2.998 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(OC(F)(F)F)c1 ZINC000727973827 734509496 /nfs/dbraw/zinc/50/94/96/734509496.db2.gz CJTOHJMHGUPXNG-FMIVXFBMSA-N 0 0 358.341 2.888 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(SC)cc2)c1 ZINC000729064957 734556587 /nfs/dbraw/zinc/55/65/87/734556587.db2.gz 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COCc1ncc2c(n1)CCN(Cc1ccc(Br)cc1O)C2 ZINC000895416880 735003696 /nfs/dbraw/zinc/00/36/96/735003696.db2.gz FVVBYRCALAFPAO-UHFFFAOYSA-N 0 0 364.243 2.649 20 10 FFCDRN CO[C@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895577021 735026178 /nfs/dbraw/zinc/02/61/78/735026178.db2.gz FQOVKMFYYSARSC-MRXNPFEDSA-N 0 0 362.367 2.816 20 10 FFCDRN CO[C@@]1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000895577020 735026342 /nfs/dbraw/zinc/02/63/42/735026342.db2.gz FQOVKMFYYSARSC-INIZCTEOSA-N 0 0 362.367 2.816 20 10 FFCDRN CCN(CC)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1F ZINC000739425413 735051445 /nfs/dbraw/zinc/05/14/45/735051445.db2.gz POKMRTNEUWCZPN-FOWTUZBSSA-N 0 0 363.458 2.974 20 10 FFCDRN CSCc1nnc(C[NH2+]Cc2cc(Br)cc(C)c2O)[n-]1 ZINC000895817551 735059458 /nfs/dbraw/zinc/05/94/58/735059458.db2.gz JZVGYVWHEJGETB-UHFFFAOYSA-N 0 0 357.277 2.734 20 10 FFCDRN O=C(NCCn1ccc(C(F)(F)F)n1)NCc1cccc(Cl)c1O ZINC000896292151 735133823 /nfs/dbraw/zinc/13/38/23/735133823.db2.gz DJCPPJFXZSZOFO-UHFFFAOYSA-N 0 0 362.739 2.760 20 10 FFCDRN CC(C)(C)N1CCC[C@H](C(=O)NCCCSc2nccs2)C1=O ZINC000896335458 735140266 /nfs/dbraw/zinc/14/02/66/735140266.db2.gz VKZINBSXVBDOIK-GFCCVEGCSA-N 0 0 355.529 2.779 20 10 FFCDRN CCCCOCCOCCNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC000896750610 735182309 /nfs/dbraw/zinc/18/23/09/735182309.db2.gz HXOOWQQBOQMQPR-UHFFFAOYSA-N 0 0 353.440 2.876 20 10 FFCDRN COC(=O)c1cnc([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)s1 ZINC000896971305 735190160 /nfs/dbraw/zinc/19/01/60/735190160.db2.gz OXLLQTGXNMQCSU-SNVBAGLBSA-N 0 0 354.378 2.903 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CC3(CCOCC3)CC[C@@H]2CO)c1[O-] ZINC000897173510 735200994 /nfs/dbraw/zinc/20/09/94/735200994.db2.gz VUDVQEGIPQLLPP-CQSZACIVSA-N 0 0 370.833 2.707 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cnsn1 ZINC000742800368 735256787 /nfs/dbraw/zinc/25/67/87/735256787.db2.gz JKTFFHSRKMPRCB-JTQLQIEISA-N 0 0 354.382 2.538 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3sccc3C)CC2)cc1 ZINC000742917133 735263024 /nfs/dbraw/zinc/26/30/24/735263024.db2.gz RMJIWIWHDQTZJO-UHFFFAOYSA-N 0 0 359.495 2.617 20 10 FFCDRN COC[C@@H](C)NC(=S)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743016181 735269956 /nfs/dbraw/zinc/26/99/56/735269956.db2.gz UAWYFNDMDHQHQJ-CHWSQXEVSA-N 0 0 373.469 2.756 20 10 FFCDRN O=C(N[C@H]1CCCSC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000748966167 735685742 /nfs/dbraw/zinc/68/57/42/735685742.db2.gz MTYBZJJMUCMVHQ-HOTGVXAUSA-N 0 0 350.484 2.978 20 10 FFCDRN Cn1cc(S(=O)(=O)Nc2ccc(O)c(F)c2F)c(C2CCCC2)n1 ZINC000901931407 735871975 /nfs/dbraw/zinc/87/19/75/735871975.db2.gz LFOHQFSNBIIIEJ-UHFFFAOYSA-N 0 0 357.382 2.862 20 10 FFCDRN CC[C@H](C)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000751647093 735903337 /nfs/dbraw/zinc/90/33/37/735903337.db2.gz XHTNZXSYPLYJBH-SOUVJXGZSA-N 0 0 352.450 2.871 20 10 FFCDRN CC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)[C@@H](CC)CN1C(C)=O ZINC000752094600 735956595 /nfs/dbraw/zinc/95/65/95/735956595.db2.gz RPWHTULXRYDWBB-DLBZAZTESA-N 0 0 350.434 2.955 20 10 FFCDRN COc1nn(C)cc1CN[C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000903337513 736077330 /nfs/dbraw/zinc/07/73/30/736077330.db2.gz VVSKESSXJVMVHI-ZDUSSCGKSA-N 0 0 364.877 2.770 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000753642434 736083596 /nfs/dbraw/zinc/08/35/96/736083596.db2.gz DKVNXNNGDXQPLV-NSHDSACASA-N 0 0 362.407 2.846 20 10 FFCDRN [NH3+][C@H]1CN(Cc2cccc(Br)c2[O-])CC[C@H]1C(F)(F)F ZINC000903982656 736199646 /nfs/dbraw/zinc/19/96/46/736199646.db2.gz TXCJPBVTTFCEFR-KOLCDFICSA-N 0 0 353.182 2.866 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)c3cncc(Cl)c3)ccc21 ZINC000754794044 736199793 /nfs/dbraw/zinc/19/97/93/736199793.db2.gz RXNLBNARUVZGAO-UHFFFAOYSA-N 0 0 351.859 2.596 20 10 FFCDRN CCCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])CC1 ZINC000756410315 736328941 /nfs/dbraw/zinc/32/89/41/736328941.db2.gz GNTSQEOXZYVVNH-NSHDSACASA-N 0 0 362.442 2.525 20 10 FFCDRN COc1cc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])ccc1OCCO ZINC000756443676 736331679 /nfs/dbraw/zinc/33/16/79/736331679.db2.gz UBVGRXLLALOXFO-NSHDSACASA-N 0 0 353.365 2.901 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756459894 736332952 /nfs/dbraw/zinc/33/29/52/736332952.db2.gz PZNPRZTXTLZTRX-MNOVXSKESA-N 0 0 370.421 2.990 20 10 FFCDRN C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000756556591 736342552 /nfs/dbraw/zinc/34/25/52/736342552.db2.gz OVCDQSOGSGXVPH-GFCCVEGCSA-N 0 0 353.415 2.664 20 10 FFCDRN C[C@@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000756562131 736343428 /nfs/dbraw/zinc/34/34/28/736343428.db2.gz GVYNFCRZIUBBMY-GHMZBOCLSA-N 0 0 362.239 2.998 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C(F)(F)c3nccs3)CC2)cc1 ZINC000756599568 736346472 /nfs/dbraw/zinc/34/64/72/736346472.db2.gz QYKVXQLMGGLAMH-UHFFFAOYSA-N 0 0 353.394 2.592 20 10 FFCDRN CN(CCS(=O)(=O)c1ccc(Cl)cc1)c1ccc2c(c1)OCO2 ZINC000756654224 736349832 /nfs/dbraw/zinc/34/98/32/736349832.db2.gz OGWDKSXZIPJOHD-UHFFFAOYSA-N 0 0 353.827 2.979 20 10 FFCDRN CC(C)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])C1=O ZINC000756708645 736353892 /nfs/dbraw/zinc/35/38/92/736353892.db2.gz FEZJXKSGHSAHFF-NOZJJQNGSA-N 0 0 359.239 2.954 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756733121 736356604 /nfs/dbraw/zinc/35/66/04/736356604.db2.gz OTEXMLKRAWVHDB-LFNDISMMSA-N 0 0 371.250 2.954 20 10 FFCDRN C[C@@H]([NH2+]CC1(CO)CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756758020 736359195 /nfs/dbraw/zinc/35/91/95/736359195.db2.gz DPMDOQURCSLTCJ-SNVBAGLBSA-N 0 0 362.239 2.734 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCOc2ncccc2Cl)c1 ZINC000756759492 736359676 /nfs/dbraw/zinc/35/96/76/736359676.db2.gz KGFJUSYMKVGSKM-LLVKDONJSA-N 0 0 350.802 2.957 20 10 FFCDRN OCC1(CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)COC1 ZINC000756944048 736375655 /nfs/dbraw/zinc/37/56/55/736375655.db2.gz VXUQQFRCSBUYDY-MRXNPFEDSA-N 0 0 360.479 2.830 20 10 FFCDRN C[C@@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc(Br)ccc1O ZINC000757640526 736414998 /nfs/dbraw/zinc/41/49/98/736414998.db2.gz XMZGHUCBYNLPNV-SNVBAGLBSA-N 0 0 367.247 2.613 20 10 FFCDRN CCc1nnc(C)cc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000759371106 736565006 /nfs/dbraw/zinc/56/50/06/736565006.db2.gz SXKGPUBLTGYKOL-UHFFFAOYSA-N 0 0 356.495 2.831 20 10 FFCDRN C[C@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000759719754 736588610 /nfs/dbraw/zinc/58/86/10/736588610.db2.gz MIXXVQMQYBCRQH-QWRGUYRKSA-N 0 0 355.529 2.645 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2c(Cl)cnn2C)cc1F ZINC000797445718 740247282 /nfs/dbraw/zinc/24/72/82/740247282.db2.gz KQAGHPOZPDAXID-UHFFFAOYSA-N 0 0 374.869 2.537 20 10 FFCDRN CC[C@@H](C)[C@H](NC(=O)CN(C)c1ccc(OC(C)C)cc1)C(=O)OC ZINC000759916827 736603795 /nfs/dbraw/zinc/60/37/95/736603795.db2.gz ZKBJPBFWKKULDT-KDOFPFPSSA-N 0 0 350.459 2.614 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC(CC(F)(F)F)C1 ZINC000760168413 736619237 /nfs/dbraw/zinc/61/92/37/736619237.db2.gz XSPDVZMUQTWKJN-UHFFFAOYSA-N 0 0 357.376 2.617 20 10 FFCDRN O=C(NC[C@H](CO)Cc1cccc(Br)c1)C1=CC(=O)CS1 ZINC000760912325 736679256 /nfs/dbraw/zinc/67/92/56/736679256.db2.gz WQXFKAXBVXKFIK-LLVKDONJSA-N 0 0 370.268 2.797 20 10 FFCDRN COc1cc(Cl)cc(CN2CCO[C@H](c3noc(C4CC4)n3)C2)c1O ZINC000761193975 736705742 /nfs/dbraw/zinc/70/57/42/736705742.db2.gz NOFDNGPOVRQAHP-AWEZNQCLSA-N 0 0 365.817 2.888 20 10 FFCDRN C[C@H](O)CC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761452150 736736351 /nfs/dbraw/zinc/73/63/51/736736351.db2.gz VCJCYBFISNOSAM-NSHDSACASA-N 0 0 354.834 2.607 20 10 FFCDRN COc1cc(F)c(NC(=O)NCCc2ccc(O)c(O)c2)cc1OC ZINC000761646283 736750887 /nfs/dbraw/zinc/75/08/87/736750887.db2.gz WODMVIMDQVAGMV-UHFFFAOYSA-N 0 0 350.346 2.618 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1cccc(Cl)c1O)c1ccccc1 ZINC000908326328 736757759 /nfs/dbraw/zinc/75/77/59/736757759.db2.gz AEPIXYPMYVTJSE-OAHLLOKOSA-N 0 0 355.843 2.853 20 10 FFCDRN Cc1nn(C)c(S(=O)(=O)NCc2cccc(Cl)c2O)c1C(F)F ZINC000908329631 736759241 /nfs/dbraw/zinc/75/92/41/736759241.db2.gz UBQKJUMHZLQXAV-UHFFFAOYSA-N 0 0 365.789 2.504 20 10 FFCDRN CCOC(=O)[C@@H]1C[C@H]1COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000909168764 736893268 /nfs/dbraw/zinc/89/32/68/736893268.db2.gz VIMCAWQYZPVSKG-GXTWGEPZSA-N 0 0 360.435 2.672 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Br)c(F)c1 ZINC000763106017 736902748 /nfs/dbraw/zinc/90/27/48/736902748.db2.gz DJCZTEFSOXKXIS-XYOKQWHBSA-N 0 0 371.231 2.891 20 10 FFCDRN Cc1cc(C(=O)CN2CC[S@@](=O)C[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000763878845 736975775 /nfs/dbraw/zinc/97/57/75/736975775.db2.gz PFZBBURJXIJZGI-ODCWNRFASA-N 0 0 358.507 2.977 20 10 FFCDRN CCN(Cc1ccccc1)S(=O)(=O)NCCCSc1nccs1 ZINC000765182801 737091977 /nfs/dbraw/zinc/09/19/77/737091977.db2.gz DNFSYYMZIDXQRH-UHFFFAOYSA-N 0 0 371.553 2.982 20 10 FFCDRN O=C(NCCOCC1CCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000765229297 737099287 /nfs/dbraw/zinc/09/92/87/737099287.db2.gz LJRDYLISEZJZPM-UHFFFAOYSA-N 0 0 363.527 2.856 20 10 FFCDRN O=C(NCc1ccc(O)c(F)c1)NCc1cccc(Br)c1O ZINC000765509671 737126358 /nfs/dbraw/zinc/12/63/58/737126358.db2.gz HEKYRZXFJUFWMV-UHFFFAOYSA-N 0 0 369.190 2.999 20 10 FFCDRN COC[C@@H](NC(=O)NCc1cccc(Br)c1O)c1ccco1 ZINC000765527375 737130019 /nfs/dbraw/zinc/13/00/19/737130019.db2.gz LKSJHJYHCQRYKZ-GFCCVEGCSA-N 0 0 369.215 2.935 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1csc2cncn21 ZINC000765755154 737154258 /nfs/dbraw/zinc/15/42/58/737154258.db2.gz GWVQOHORHKFFLW-UHFFFAOYSA-N 0 0 352.213 2.794 20 10 FFCDRN O=C(Cn1cnc2c1CCCC2)NCc1cccc(Br)c1O ZINC000765756959 737155026 /nfs/dbraw/zinc/15/50/26/737155026.db2.gz PCZPOJFWQINDJY-UHFFFAOYSA-N 0 0 364.243 2.546 20 10 FFCDRN Oc1c(Br)cccc1CNC(=S)NCCc1cccnc1 ZINC000765976858 737179312 /nfs/dbraw/zinc/17/93/12/737179312.db2.gz OBSZXTZMRCUJDU-UHFFFAOYSA-N 0 0 366.284 2.757 20 10 FFCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3nnnn3C(C)(C)C)sc2n1 ZINC000766176610 737202821 /nfs/dbraw/zinc/20/28/21/737202821.db2.gz ZQDXAVMNDLQJGI-UHFFFAOYSA-N 0 0 360.443 2.594 20 10 FFCDRN Cc1ccccc1S(=O)(=O)NCc1cccc(Br)c1O ZINC000766202314 737207038 /nfs/dbraw/zinc/20/70/38/737207038.db2.gz 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COCCc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773084899 737869758 /nfs/dbraw/zinc/86/97/58/737869758.db2.gz UJQXBTISJMRNNK-HNNXBMFYSA-N 0 0 362.495 2.981 20 10 FFCDRN CCn1nc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000773088811 737869988 /nfs/dbraw/zinc/86/99/88/737869988.db2.gz PBPXWDDJRTVXBN-LBPRGKRZSA-N 0 0 350.488 2.625 20 10 FFCDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1F)c1ccc(N(C)C)cc1 ZINC000773087781 737870035 /nfs/dbraw/zinc/87/00/35/737870035.db2.gz KNJMPLOZIBOVDQ-NSHDSACASA-N 0 0 367.402 2.839 20 10 FFCDRN COc1cccc(OC)c1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773088226 737870241 /nfs/dbraw/zinc/87/02/41/737870241.db2.gz NLQSXEWPAUXLQF-ZDUSSCGKSA-N 0 0 364.467 2.809 20 10 FFCDRN C[C@H](NS(=O)(=O)c1ccc2c(c1)N(C)CC2)c1ccc(N(C)C)cc1 ZINC000773090548 737870688 /nfs/dbraw/zinc/87/06/88/737870688.db2.gz YIVMHTYPZMNHLN-AWEZNQCLSA-N 0 0 359.495 2.784 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1scnc1Cl ZINC000919970973 737885307 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739479002 /nfs/dbraw/zinc/47/90/02/739479002.db2.gz CHJHNIKIGAPSRK-UHFFFAOYSA-N 0 0 353.465 2.747 20 10 FFCDRN C[C@H]1[C@H](C(F)(F)F)CCN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000791579522 739580827 /nfs/dbraw/zinc/58/08/27/739580827.db2.gz QVJRFOUYMXAXBH-XJKSGUPXSA-N 0 0 357.420 2.984 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC(C)(F)C3)cc2F)C[C@H](C)O1 ZINC000792037907 739628505 /nfs/dbraw/zinc/62/85/05/739628505.db2.gz GDMXOGZUCGVJGO-BETUJISGSA-N 0 0 353.413 2.693 20 10 FFCDRN COC(=O)[C@@H](NCc1cc(Cl)ccc1O)c1ccc(OC)c(O)c1 ZINC000792180600 739647653 /nfs/dbraw/zinc/64/76/53/739647653.db2.gz LYABXFZWZWPOEA-INIZCTEOSA-N 0 0 351.786 2.764 20 10 FFCDRN COc1cccc(CNC(=O)c2nc(Br)ccc2F)c1O ZINC000792237958 739654026 /nfs/dbraw/zinc/65/40/26/739654026.db2.gz LIGBHFPXYFHGIW-UHFFFAOYSA-N 0 0 355.163 2.627 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c(O)c1 ZINC000793026565 739732327 /nfs/dbraw/zinc/73/23/27/739732327.db2.gz GDWFJTGRWPMDLV-SNPRPXQTSA-N 0 0 354.497 2.580 20 10 FFCDRN CN(C)c1ccc(CN2CC(=O)N(CC(F)(F)F)C2)c(C(F)(F)F)c1 ZINC000793182128 739748858 /nfs/dbraw/zinc/74/88/58/739748858.db2.gz JRBOZRFGFVVWTG-UHFFFAOYSA-N 0 0 369.309 2.935 20 10 FFCDRN NC(=O)[C@@H](NCc1cc(F)ccc1O)c1cccc(Br)c1 ZINC000793267203 739760316 /nfs/dbraw/zinc/76/03/16/739760316.db2.gz SZLJKUCWPUCIKO-AWEZNQCLSA-N 0 0 353.191 2.610 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cn(C)ccc1=O ZINC000934721289 739826772 /nfs/dbraw/zinc/82/67/72/739826772.db2.gz KLAPPSMQEJZOPQ-UHFFFAOYSA-N 0 0 365.227 2.516 20 10 FFCDRN C[C@@H]1CCCC[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000793938953 739828055 /nfs/dbraw/zinc/82/80/55/739828055.db2.gz VXRLYBGRHRZEIM-CHWSQXEVSA-N 0 0 355.529 2.684 20 10 FFCDRN COc1ccc(CNC(=O)c2sc(-c3ncccn3)nc2C)c(O)c1 ZINC000794382251 739885083 /nfs/dbraw/zinc/88/50/83/739885083.db2.gz SJXFXOMYNZNSFI-UHFFFAOYSA-N 0 0 356.407 2.553 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000794827337 739933720 /nfs/dbraw/zinc/93/37/20/739933720.db2.gz 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CO[C@@H](C)CS(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000799751966 740448009 /nfs/dbraw/zinc/44/80/09/740448009.db2.gz XARTZWOANPSWLG-HNNXBMFYSA-N 0 0 350.484 2.591 20 10 FFCDRN CC(=O)N1CC(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1 ZINC000800049623 740478315 /nfs/dbraw/zinc/47/83/15/740478315.db2.gz SBECHLSRMIGGGO-CYBMUJFWSA-N 0 0 363.889 2.671 20 10 FFCDRN Cc1nn(C)c(Br)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000801078777 740583801 /nfs/dbraw/zinc/58/38/01/740583801.db2.gz DMCLTUFMXGQUNR-UHFFFAOYSA-N 0 0 365.275 2.829 20 10 FFCDRN CCN(CC)c1ccc(CNc2nc(C)c(S(N)(=O)=O)s2)cc1 ZINC000801667828 740640313 /nfs/dbraw/zinc/64/03/13/740640313.db2.gz UYYIPRYYCUHIIT-UHFFFAOYSA-N 0 0 354.501 2.557 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000801734001 740646429 /nfs/dbraw/zinc/64/64/29/740646429.db2.gz PRKOASUHCYUBQA-CZUORRHYSA-N 0 0 370.287 2.812 20 10 FFCDRN CN(Cc1nc(-c2cccs2)no1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000804139417 740848734 /nfs/dbraw/zinc/84/87/34/740848734.db2.gz UMPQDAIRNMSEGD-ALCCZGGFSA-N 0 0 357.391 2.881 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cnn(C(F)F)c1 ZINC000804226890 740854324 /nfs/dbraw/zinc/85/43/24/740854324.db2.gz DHQJVASXVAAKSS-UHFFFAOYSA-N 0 0 356.716 2.606 20 10 FFCDRN CN(C)c1cc(C(=O)NCc2cc(Br)ccc2O)ccn1 ZINC000804736014 740901086 /nfs/dbraw/zinc/90/10/86/740901086.db2.gz KEZKQQCUDVVMMB-UHFFFAOYSA-N 0 0 350.216 2.546 20 10 FFCDRN Cc1nn(C)c(Cl)c1C(=O)NCc1cc(Br)ccc1O ZINC000804737620 740901355 /nfs/dbraw/zinc/90/13/55/740901355.db2.gz MPTDBCUJBGJSKS-UHFFFAOYSA-N 0 0 358.623 2.780 20 10 FFCDRN O=C(CCC(=O)NC1CCCC1)NCc1cc(Br)ccc1O ZINC000804737705 740901433 /nfs/dbraw/zinc/90/14/33/740901433.db2.gz WLLHQHKUGZJOAT-UHFFFAOYSA-N 0 0 369.259 2.610 20 10 FFCDRN O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cc(Br)ccc1O ZINC000804739662 740901861 /nfs/dbraw/zinc/90/18/61/740901861.db2.gz NTUCADAGFDDLRA-UHFFFAOYSA-N 0 0 365.183 2.922 20 10 FFCDRN COc1ncccc1CNC(=O)NCc1cc(Br)ccc1O ZINC000804905386 740914754 /nfs/dbraw/zinc/91/47/54/740914754.db2.gz 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/nfs/dbraw/zinc/04/58/88/741045888.db2.gz NIWBSAKKBRLDEA-AGIUHOORSA-N 0 0 355.529 2.682 20 10 FFCDRN C[C@H]1CCC[C@H](N(C)C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806276462 741049406 /nfs/dbraw/zinc/04/94/06/741049406.db2.gz DXQPGYMXYJSAQJ-STQMWFEESA-N 0 0 355.529 2.779 20 10 FFCDRN CC1(C)CCC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806276239 741049451 /nfs/dbraw/zinc/04/94/51/741049451.db2.gz AIFQCXZHHSNMSQ-LBPRGKRZSA-N 0 0 355.529 2.827 20 10 FFCDRN C[C@@H]1CCC[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)[C@@H]1C ZINC000806276764 741049480 /nfs/dbraw/zinc/04/94/80/741049480.db2.gz UUJZHKKDCXZDNX-MCIONIFRSA-N 0 0 369.556 2.930 20 10 FFCDRN CCC1(CNC(=O)C(=O)NCCCSc2nccs2)CCCC1 ZINC000806279222 741049842 /nfs/dbraw/zinc/04/98/42/741049842.db2.gz IPYOGIVZNBCIII-UHFFFAOYSA-N 0 0 355.529 2.828 20 10 FFCDRN CC[C@H]1CCCCCN1C(=O)C(=O)NCCCSc1nccs1 ZINC000806279314 741049905 /nfs/dbraw/zinc/04/99/05/741049905.db2.gz LETZGMSJIKBEOS-ZDUSSCGKSA-N 0 0 355.529 2.923 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCCS1 ZINC000806916337 741095425 /nfs/dbraw/zinc/09/54/25/741095425.db2.gz HYXMDJMYVJSJNQ-KRWDZBQOSA-N 0 0 363.527 2.501 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CCCc2c[nH]nc21 ZINC000806985808 741099704 /nfs/dbraw/zinc/09/97/04/741099704.db2.gz DFYSUMFYORFEFC-LBPRGKRZSA-N 0 0 365.231 2.755 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1(S(C)(=O)=O)CC1 ZINC000807482535 741136838 /nfs/dbraw/zinc/13/68/38/741136838.db2.gz VXUDSKYXEANBOE-CQSZACIVSA-N 0 0 368.499 2.670 20 10 FFCDRN CS[C@H]1CCCCN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807672183 741148053 /nfs/dbraw/zinc/14/80/53/741148053.db2.gz XFVDZMQKJGAWOK-PBHICJAKSA-N 0 0 363.527 2.674 20 10 FFCDRN CC[C@@H](CSC)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807674574 741148150 /nfs/dbraw/zinc/14/81/50/741148150.db2.gz NGVNCYUINNLMAH-ZFWWWQNUSA-N 0 0 351.516 2.530 20 10 FFCDRN CSCC[C@H](C)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807678470 741148476 /nfs/dbraw/zinc/14/84/76/741148476.db2.gz XRTYQKCEMPJYQB-KBPBESRZSA-N 0 0 351.516 2.530 20 10 FFCDRN O=c1c(NCc2ccc(N3CCSCC3)cc2)nccn1C(F)F ZINC000807929305 741172111 /nfs/dbraw/zinc/17/21/11/741172111.db2.gz UDBMYFVQNTZZFW-UHFFFAOYSA-N 0 0 352.410 2.804 20 10 FFCDRN CCCC(=O)N1CCC[C@H](C(=O)C(=O)CC(C)(C)CC(=O)OCC)C1 ZINC000808094877 741185550 /nfs/dbraw/zinc/18/55/50/741185550.db2.gz ILOOJRVQBGKBSF-AWEZNQCLSA-N 0 0 353.459 2.533 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccc(Br)cc1C(F)(F)F ZINC000808534617 741233258 /nfs/dbraw/zinc/23/32/58/741233258.db2.gz RQJCSASCUNXIBZ-UHFFFAOYSA-N 0 0 353.090 2.783 20 10 FFCDRN O=C(CSc1nncn1CCc1cccs1)c1ccc(O)c(O)c1 ZINC000809303166 741298722 /nfs/dbraw/zinc/29/87/22/741298722.db2.gz QPGNUSNLCUDNGZ-UHFFFAOYSA-N 0 0 361.448 2.969 20 10 FFCDRN O=C(Nc1nncs1)C1CC[NH+](Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000809734016 741337874 /nfs/dbraw/zinc/33/78/74/741337874.db2.gz QRSIAAHTNPIGFT-UHFFFAOYSA-N 0 0 370.837 2.887 20 10 FFCDRN C[C@H](NS(=O)(=O)CCC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000809809855 741346211 /nfs/dbraw/zinc/34/62/11/741346211.db2.gz BVHNJITYFCRLEV-HNNXBMFYSA-N 0 0 352.500 2.694 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3snnc3C3CC3)CC2)cc1 ZINC000810180789 741395397 /nfs/dbraw/zinc/39/53/97/741395397.db2.gz LWPOEPLPMFHBAV-UHFFFAOYSA-N 0 0 358.467 2.777 20 10 FFCDRN COCC[C@H](COC)[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000810256628 741402245 /nfs/dbraw/zinc/40/22/45/741402245.db2.gz CMPMFVPDTZEJLO-GXSJLCMTSA-N 0 0 350.228 2.996 20 10 FFCDRN Cc1ncc2n1CC[C@@H](C(=O)NCc1cc(Br)ccc1O)C2 ZINC000811523871 741533711 /nfs/dbraw/zinc/53/37/11/741533711.db2.gz QZLGPAABOJQVQU-LLVKDONJSA-N 0 0 364.243 2.538 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CC(O)(c2ccc(F)cc2)C1 ZINC000812153741 741592134 /nfs/dbraw/zinc/59/21/34/741592134.db2.gz JOZGYWNYXKZHGB-UHFFFAOYSA-N 0 0 367.471 2.677 20 10 FFCDRN Cc1ccccc1NC(=S)NNc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000812261812 741600719 /nfs/dbraw/zinc/60/07/19/741600719.db2.gz SLNVEYWOJDMSNT-UHFFFAOYSA-N 0 0 364.496 2.559 20 10 FFCDRN CON(C[C@H]1CCC[C@H](C)C1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000812419180 741619476 /nfs/dbraw/zinc/61/94/76/741619476.db2.gz IJAMHXCDKABWAK-STQMWFEESA-N 0 0 370.471 2.594 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccc(C(F)(F)F)s2)c1O ZINC000812501438 741625833 /nfs/dbraw/zinc/62/58/33/741625833.db2.gz ZGWDEMJFWSBXBN-UHFFFAOYSA-N 0 0 367.370 2.960 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000812501454 741625862 /nfs/dbraw/zinc/62/58/62/741625862.db2.gz ZPSVKWXWFIGFLG-UHFFFAOYSA-N 0 0 367.370 2.960 20 10 FFCDRN COCC[C@@H](COC)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000812573407 741633480 /nfs/dbraw/zinc/63/34/80/741633480.db2.gz NHCGKNBLRGJEQW-KRWDZBQOSA-N 0 0 351.491 2.724 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H](O)CC(C)(C)C ZINC000813507829 741727660 /nfs/dbraw/zinc/72/76/60/741727660.db2.gz VRRUMNHGAHNWBQ-CQSZACIVSA-N 0 0 371.861 2.734 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)NCC1CC(F)(F)C1 ZINC000813591485 741737861 /nfs/dbraw/zinc/73/78/61/741737861.db2.gz YASLGQYWWFNNFO-UHFFFAOYSA-N 0 0 357.376 2.507 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=S)NC3CCC3)cc2F)C[C@H](C)O1 ZINC000814193861 741802157 /nfs/dbraw/zinc/80/21/57/741802157.db2.gz BKZFDJNJEUCBLY-BETUJISGSA-N 0 0 351.491 2.956 20 10 FFCDRN O=C1N=C(SC[C@@H](O)CO)S/C1=C/c1csc2ccccc12 ZINC000814773257 741863710 /nfs/dbraw/zinc/86/37/10/741863710.db2.gz PPNKDMVRHUTTDF-QWGQVVDNSA-N 0 0 351.474 2.958 20 10 FFCDRN O=C1CNC(=O)N1CCCOc1ccc(N2CCCCC2)c(Cl)c1 ZINC000817380990 742134769 /nfs/dbraw/zinc/13/47/69/742134769.db2.gz BERUSNOAPDABRD-UHFFFAOYSA-N 0 0 351.834 2.651 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)C[C@H](CO)C2)cc1F ZINC000817773202 742210605 /nfs/dbraw/zinc/21/06/05/742210605.db2.gz DKRINFSXMZPEBY-ZBFHGGJFSA-N 0 0 351.466 2.832 20 10 FFCDRN COc1ccc(CCNC(=O)c2cccc(O)c2O)c(Cl)c1OC ZINC000817946953 742223696 /nfs/dbraw/zinc/22/36/96/742223696.db2.gz QBSBIQARQYWDGP-UHFFFAOYSA-N 0 0 351.786 2.741 20 10 FFCDRN C[C@]1(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)CCCC[C@H]1O ZINC000817952374 742223947 /nfs/dbraw/zinc/22/39/47/742223947.db2.gz KHDKUAAWNYVQNX-VQIMIIECSA-N 0 0 359.495 2.987 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C(=O)[O-])c1O ZINC000818631654 742287138 /nfs/dbraw/zinc/28/71/38/742287138.db2.gz MGKSQKYITPCVAD-NOZJJQNGSA-N 0 0 358.232 2.848 20 10 FFCDRN COc1ccc(CNS(=O)(=O)CCc2ccc(Cl)cc2)c(O)c1 ZINC000819883149 742438918 /nfs/dbraw/zinc/43/89/18/742438918.db2.gz SPNHKSYNPJPZEF-UHFFFAOYSA-N 0 0 355.843 2.716 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3cnn(C(F)F)c3)C2)cc1 ZINC000822310337 742716824 /nfs/dbraw/zinc/71/68/24/742716824.db2.gz WRKSCADNGXBVTH-NSHDSACASA-N 0 0 351.357 2.687 20 10 FFCDRN Cn1nc(C(F)(F)F)cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000822495887 742743507 /nfs/dbraw/zinc/74/35/07/742743507.db2.gz RYIYQYNGCVIMSY-UHFFFAOYSA-N 0 0 352.360 2.969 20 10 FFCDRN CCc1c[nH]c(=O)c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000822553982 742751240 /nfs/dbraw/zinc/75/12/40/742751240.db2.gz QMLUTNJDRGCDOI-UHFFFAOYSA-N 0 0 357.479 2.833 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(S(=O)(=O)N(C)C)s2)cc1OC ZINC000822588530 742755353 /nfs/dbraw/zinc/75/53/53/742755353.db2.gz VUXNKVBWUAZGLJ-UHFFFAOYSA-N 0 0 370.496 2.652 20 10 FFCDRN Cc1csc([C@@H](C)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000822688257 742769888 /nfs/dbraw/zinc/76/98/88/742769888.db2.gz NKMSHJQUKUFFEO-ZDUSSCGKSA-N 0 0 363.458 2.847 20 10 FFCDRN O=C(CC1(O)CCC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000823004780 742817601 /nfs/dbraw/zinc/81/76/01/742817601.db2.gz XTNYPWDOKIYBFU-UHFFFAOYSA-N 0 0 354.397 2.678 20 10 FFCDRN Cc1cc(NC(=O)NCCCSc2nccs2)c(N(C)C)nn1 ZINC000824534735 743100885 /nfs/dbraw/zinc/10/08/85/743100885.db2.gz JFFQJVPYXKIIHJ-UHFFFAOYSA-N 0 0 352.489 2.611 20 10 FFCDRN C[C@H](CS(C)(=O)=O)N(Cc1ccc(Br)cc1O)C1CC1 ZINC000824809439 743153394 /nfs/dbraw/zinc/15/33/94/743153394.db2.gz VBPCBAOZUIXZPE-SNVBAGLBSA-N 0 0 362.289 2.552 20 10 FFCDRN CCN(Cc1ccc(Br)cc1O)[C@@H](C)CS(=O)(=O)CC ZINC000824814114 743154106 /nfs/dbraw/zinc/15/41/06/743154106.db2.gz LWBKAYZDEBAECZ-NSHDSACASA-N 0 0 364.305 2.800 20 10 FFCDRN CS(=O)(=O)C[C@@H]1CCCCN1Cc1cc(Br)ccc1O ZINC000824914317 743177682 /nfs/dbraw/zinc/17/76/82/743177682.db2.gz PEYKGOGOZGBOGE-ZDUSSCGKSA-N 0 0 362.289 2.554 20 10 FFCDRN COc1cccc(O)c1CNc1cccc(S(=O)(=O)N(C)C)c1C ZINC000825289722 743242465 /nfs/dbraw/zinc/24/24/65/743242465.db2.gz FIXRKSZNRLSKOK-UHFFFAOYSA-N 0 0 350.440 2.572 20 10 FFCDRN C/C(=C/C(=O)NCc1ccc(N2CCSCC2)cc1)c1cnccn1 ZINC000825305633 743245236 /nfs/dbraw/zinc/24/52/36/743245236.db2.gz PCQOSZFIQZBZPB-QINSGFPZSA-N 0 0 354.479 2.750 20 10 FFCDRN CC[C@@H]1CN(Cc2ccc(Br)cc2O)C[C@@H](C)S1(=O)=O ZINC000825900748 743340852 /nfs/dbraw/zinc/34/08/52/743340852.db2.gz PWQBUTZUULSKKC-ZWNOBZJWSA-N 0 0 362.289 2.552 20 10 FFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+][C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000827538897 743597390 /nfs/dbraw/zinc/59/73/90/743597390.db2.gz VPFUTYQUIXHBNW-HZPDHXFCSA-N 0 0 354.853 2.918 20 10 FFCDRN O=C(NC[C@H]1CCC[C@H]1NC(=O)C1=CC(=O)CS1)C1=CC(=O)CS1 ZINC000828712393 745100901 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C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCS(C)(=O)=O ZINC000831706934 745572812 /nfs/dbraw/zinc/57/28/12/745572812.db2.gz PVDNERMUCPCCHH-HNNXBMFYSA-N 0 0 361.463 2.917 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834882705 745918484 /nfs/dbraw/zinc/91/84/84/745918484.db2.gz CYKBARUSNRNYAM-LLVKDONJSA-N 0 0 350.396 2.555 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835075465 745945544 /nfs/dbraw/zinc/94/55/44/745945544.db2.gz XWSDKKDKDNFSJM-OCCSQVGLSA-N 0 0 353.260 2.706 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](C)CS3(=O)=O)c2C)cc1 ZINC000835569880 746039692 /nfs/dbraw/zinc/03/96/92/746039692.db2.gz KQUOMLIOIUUJHN-GFCCVEGCSA-N 0 0 362.451 2.524 20 10 FFCDRN C[C@@H]1CCC[C@]1(O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837652377 746492865 /nfs/dbraw/zinc/49/28/65/746492865.db2.gz WVGKQLZDAZLLMX-BEFAXECRSA-N 0 0 363.527 2.590 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1CC12CCCC2 ZINC000837707551 746503258 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COc1cccc(CNC(=O)Nc2ccc3ccc(=O)n(C)c3c2)c1O ZINC000786023132 1001513099 /nfs/dbraw/zinc/51/30/99/1001513099.db2.gz ZAXZDOWVLOVSLL-UHFFFAOYSA-N 0 0 353.378 2.574 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@@H]2NC(=O)O[C@@H]2C)c(C)n1-c1ccc(C)cc1 ZINC000786073982 1001525092 /nfs/dbraw/zinc/52/50/92/1001525092.db2.gz MSFNVSXUGDEXFU-RDTXWAMCSA-N 0 0 370.405 2.625 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)c3ccsc3)cc2)CC1 ZINC000786256203 1001557362 /nfs/dbraw/zinc/55/73/62/1001557362.db2.gz BBARSAOVDUJLIY-HNNXBMFYSA-N 0 0 371.506 2.837 20 10 FFCDRN COCCc1ccccc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000786420629 1001587936 /nfs/dbraw/zinc/58/79/36/1001587936.db2.gz NAYRFUMCNUVCBJ-HNNXBMFYSA-N 0 0 369.465 2.757 20 10 FFCDRN COC(=O)c1cnc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)nc1 ZINC000786574943 1001611202 /nfs/dbraw/zinc/61/12/02/1001611202.db2.gz HAPGUUDUIDBORO-CHWSQXEVSA-N 0 0 374.416 2.628 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCCc1ccccc1Cl)c1ccc(N(C)C)cc1 ZINC000786687863 1001617148 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CCOC(=O)C1(CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)CCC1 ZINC000788772603 1001873523 /nfs/dbraw/zinc/87/35/23/1001873523.db2.gz UWRCIHXUAGNTGQ-UHFFFAOYSA-N 0 0 374.481 2.857 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-c2cnn(C)c2)nn1 ZINC000788784664 1001877283 /nfs/dbraw/zinc/87/72/83/1001877283.db2.gz BXRHJESTOIXYSS-UHFFFAOYSA-N 0 0 365.441 2.573 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N(Cc2ccccc2)C2CC2)cc1 ZINC000774386669 1001886462 /nfs/dbraw/zinc/88/64/62/1001886462.db2.gz VROMKCUELCBVDU-UHFFFAOYSA-N 0 0 365.477 2.902 20 10 FFCDRN COC(=O)COc1ccc(CNc2ccc3c(c2)ncn3C)cc1[N+](=O)[O-] ZINC000788964114 1001923797 /nfs/dbraw/zinc/92/37/97/1001923797.db2.gz FFAAVUPQPXGHRK-UHFFFAOYSA-N 0 0 370.365 2.645 20 10 FFCDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC000788933617 1001925311 /nfs/dbraw/zinc/92/53/11/1001925311.db2.gz QWWNMBRUSQTOCS-SOLBZPMBSA-N 0 0 357.498 2.844 20 10 FFCDRN C[C@@H](NC(=O)c1cc(Cl)ccc1-n1cnnn1)c1ccc(N(C)C)cc1 ZINC000773010215 1001990287 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/nfs/dbraw/zinc/62/86/09/1002628609.db2.gz VFVJCTRUPNNMQK-AKERNLMBSA-N 0 0 367.401 2.922 20 10 FFCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1ccc(Cl)nc1F ZINC001185252279 1002886571 /nfs/dbraw/zinc/88/65/71/1002886571.db2.gz QMGCYFUMPGTKAR-UHFFFAOYSA-N 0 0 369.849 2.953 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCOc1ccccc1 ZINC000774858054 1002918448 /nfs/dbraw/zinc/91/84/48/1002918448.db2.gz GRPDAJKFHBHHEB-UHFFFAOYSA-N 0 0 370.449 2.716 20 10 FFCDRN Cc1cc(C)c(CNC(=O)[C@@H]2CCCN2C(=O)Cc2ccccc2)c(O)c1 ZINC001185611805 1003004456 /nfs/dbraw/zinc/00/44/56/1003004456.db2.gz UZEMGBDLWIFONK-IBGZPJMESA-N 0 0 366.461 2.859 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)c1 ZINC000772795920 1003010045 /nfs/dbraw/zinc/01/00/45/1003010045.db2.gz DHAGAXLHDMNVIV-XPTSAGLGSA-N 0 0 372.347 2.798 20 10 FFCDRN COC(OC)c1cc(Cl)cnc1NCC(=O)c1ccc(O)c(O)c1 ZINC001170317124 1003106271 /nfs/dbraw/zinc/10/62/71/1003106271.db2.gz ZSNQMILLZBOYSM-UHFFFAOYSA-N 0 0 352.774 2.732 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)/C(C)=C\C(C)(C)C)cc2=O ZINC000772812987 1003135261 /nfs/dbraw/zinc/13/52/61/1003135261.db2.gz HIVXTTFPAVCGTA-FLIBITNWSA-N 0 0 361.398 2.647 20 10 FFCDRN COc1ccc(CNC(=O)NCc2cnn(-c3ccccc3)c2)c(O)c1 ZINC000792787803 1003177561 /nfs/dbraw/zinc/17/75/61/1003177561.db2.gz SMCWNVNHKTWYLP-UHFFFAOYSA-N 0 0 352.394 2.586 20 10 FFCDRN CN(C)c1ccc(CN2CCc3c(cccc3S(=O)(=O)N(C)C)C2)cc1 ZINC000792897126 1003221676 /nfs/dbraw/zinc/22/16/76/1003221676.db2.gz UYLGBOMFKHUKBY-UHFFFAOYSA-N 0 0 373.522 2.561 20 10 FFCDRN COc1c(C(=O)Nc2cccc(N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000793133668 1003288883 /nfs/dbraw/zinc/28/88/83/1003288883.db2.gz XGWBVWWOKSRMCR-UHFFFAOYSA-N 0 0 357.366 2.692 20 10 FFCDRN COc1cccc(O[C@H](C)C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000775028576 1003338839 /nfs/dbraw/zinc/33/88/39/1003338839.db2.gz DTYZKZVJRAELML-GFCCVEGCSA-N 0 0 362.382 2.875 20 10 FFCDRN COc1ccc(N2CCOC[C@@]3(CCCN(C(=O)NCC4CC4)C3)C2)cc1 ZINC001186592025 1003370874 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CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1Cc2ccccc21 ZINC000793670859 1003459012 /nfs/dbraw/zinc/45/90/12/1003459012.db2.gz DRXVAWVMGJJKRB-GOSISDBHSA-N 0 0 366.461 2.977 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1Cc2ccccc21 ZINC000793670742 1003459756 /nfs/dbraw/zinc/45/97/56/1003459756.db2.gz CZCRWWGGPMFYGX-GOSISDBHSA-N 0 0 365.477 2.557 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)Cc1ccsc1 ZINC000793789092 1003494113 /nfs/dbraw/zinc/49/41/13/1003494113.db2.gz INXPACLVMPZRTH-OAHLLOKOSA-N 0 0 373.522 2.910 20 10 FFCDRN COc1cc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1C ZINC000793868250 1003519556 /nfs/dbraw/zinc/51/95/56/1003519556.db2.gz MHFSDEJSGYUSDR-HNNXBMFYSA-N 0 0 369.465 2.563 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NC[C@@H](C)c1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000793937963 1003538333 /nfs/dbraw/zinc/53/83/33/1003538333.db2.gz MEPAWOUGDOHSNE-HUUCEWRRSA-N 0 0 371.456 2.989 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1cnc(CC2CC2)nc1 ZINC000794371833 1003612789 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FFCDRN O=C(N[C@@H]1CCC[C@H](F)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001326451277 1046937558 /nfs/dbraw/zinc/93/75/58/1046937558.db2.gz NTTGNIAWKBFYBV-JKSUJKDBSA-N 0 0 374.412 2.911 20 10 FFCDRN C[C@@H](CNC(=O)C(=O)NCCCSc1nccs1)c1ccccc1 ZINC001326626649 1047006520 /nfs/dbraw/zinc/00/65/20/1047006520.db2.gz HXQYKBZSGVHZOT-ZDUSSCGKSA-N 0 0 363.508 2.661 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cc(C2CC2)nn1C ZINC001326693358 1047038024 /nfs/dbraw/zinc/03/80/24/1047038024.db2.gz HOFMJZHVIYTHAV-UHFFFAOYSA-N 0 0 369.469 2.798 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCc1ccsc1 ZINC001326695663 1047039179 /nfs/dbraw/zinc/03/91/79/1047039179.db2.gz OZAXFQBIJCNECS-UHFFFAOYSA-N 0 0 359.495 2.522 20 10 FFCDRN Cc1ccc2c(c1)N[C@H](c1ccc(N3CCN(C)CC3)c(F)c1)NC2=O ZINC001327049082 1047170423 /nfs/dbraw/zinc/17/04/23/1047170423.db2.gz IBNNCXYTJWRZGI-IBGZPJMESA-N 0 0 354.429 2.740 20 10 FFCDRN Cc1cc(CNC(=O)c2nc3nccc(C)n3n2)c(C)n1-c1ccccc1 ZINC001287662329 1047334894 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Cc1ccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c(O)c1O ZINC001290387376 1048078839 /nfs/dbraw/zinc/07/88/39/1048078839.db2.gz OJEGRWFMSSFPEX-UHFFFAOYSA-N 0 0 351.406 2.923 20 10 FFCDRN C[C@H]1CN(Cc2ccc(N3CCN(C)CC3)c(F)c2)C[C@@](C)(C(F)F)O1 ZINC001327964352 1048112775 /nfs/dbraw/zinc/11/27/75/1048112775.db2.gz SCADWFGUGSXILB-LIRRHRJNSA-N 0 0 371.447 2.822 20 10 FFCDRN CC1(C)C[C@]1(C)CNC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001331994529 1048201822 /nfs/dbraw/zinc/20/18/22/1048201822.db2.gz PDVJCTWASGOCEV-OAQYLSRUSA-N 0 0 372.513 2.624 20 10 FFCDRN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC001332078175 1048237948 /nfs/dbraw/zinc/23/79/48/1048237948.db2.gz WLQRSEBYPAJMMV-SFHVURJKSA-N 0 0 372.513 2.576 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N(CCC2CC2)CC2CC2)cc1 ZINC001328316314 1048257423 /nfs/dbraw/zinc/25/74/23/1048257423.db2.gz LZUQKFVXKPTNCP-UHFFFAOYSA-N 0 0 357.498 2.750 20 10 FFCDRN Cc1nnc(N(C)C2CCC2)n1Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001290708139 1048329775 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CC[C@@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)c1noc(C)n1 ZINC001577164849 1078311773 /nfs/dbraw/zinc/31/17/73/1078311773.db2.gz ULLUGYJCOZRDFP-CYBMUJFWSA-N 0 0 357.439 2.889 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc2c1CCN2 ZINC001578489839 1078480418 /nfs/dbraw/zinc/48/04/18/1078480418.db2.gz PTHWCLODKRWHAI-UHFFFAOYSA-N 0 0 350.466 2.851 20 10 FFCDRN C[C@@H](NC(=O)CSc1ccc(-c2nn[nH]n2)cc1)c1ccccc1O ZINC001580307066 1078784541 /nfs/dbraw/zinc/78/45/41/1078784541.db2.gz GKTFWVVYCFGJFL-LLVKDONJSA-N 0 0 355.423 2.542 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N[C@H](CCO)c3ccco3)cs2)cc1 ZINC001580446977 1078806425 /nfs/dbraw/zinc/80/64/25/1078806425.db2.gz MWKBMELDMKPWGW-CQSZACIVSA-N 0 0 357.435 2.763 20 10 FFCDRN O=C(NCc1ccccc1O)c1sc2c(c1Br)CNC2 ZINC001580721925 1078851891 /nfs/dbraw/zinc/85/18/91/1078851891.db2.gz QYYDDFDAFXPVIT-UHFFFAOYSA-N 0 0 353.241 2.749 20 10 FFCDRN CC(C)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(O)c1 ZINC001583334415 1079195313 /nfs/dbraw/zinc/19/53/13/1079195313.db2.gz GYLOONYWFOHOEW-UHFFFAOYSA-N 0 0 354.450 2.823 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3c[nH]c(=O)c4ccccc34)C2)cc1 ZINC001584229415 1079325039 /nfs/dbraw/zinc/32/50/39/1079325039.db2.gz HWWABCLXGQBGPW-AWEZNQCLSA-N 0 0 363.417 2.958 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1C[C@@H]1CCCOC1 ZINC001554175787 1075609134 /nfs/dbraw/zinc/60/91/34/1075609134.db2.gz WTTGPHBZSYLZDQ-RDJZCZTQSA-N 0 0 372.469 2.551 20 10 FFCDRN Cc1ccc(C)c(C2=NO[C@@H](C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)C2)c1 ZINC001556157554 1075710170 /nfs/dbraw/zinc/71/01/70/1075710170.db2.gz DZEKWJHFARHLDA-VBKZILBWSA-N 0 0 368.433 2.955 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccc2c(c1)OC(F)(F)O2 ZINC001557307836 1075837017 /nfs/dbraw/zinc/83/70/17/1075837017.db2.gz MZDKJPIRUAFBFH-UTCJRWHESA-N 0 0 363.316 2.791 20 10 FFCDRN CN1CCc2c(NC(=O)c3ccc(N=NC(N)=O)cc3)cccc2C1=O ZINC001557530874 1075858904 /nfs/dbraw/zinc/85/89/04/1075858904.db2.gz AJQGUSJJWQEBJU-UHFFFAOYSA-N 0 0 351.366 2.729 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2c3ccccc3CN(C)C2=O)c(C)n1-c1ccccn1 ZINC001557544457 1075860482 /nfs/dbraw/zinc/86/04/82/1075860482.db2.gz HHXKKMSICRHEIC-FQEVSTJZSA-N 0 0 374.444 2.932 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC001557609447 1075866378 /nfs/dbraw/zinc/86/63/78/1075866378.db2.gz GRMQPBOESXEJGD-OAHLLOKOSA-N 0 0 357.414 2.512 20 10 FFCDRN Cc1cc(C(=O)N[C@H](CO)C[C@@H]2CCCO2)c(C)n1-c1ccc(F)cc1 ZINC001558387882 1075995903 /nfs/dbraw/zinc/99/59/03/1075995903.db2.gz MXHAXJLCOFERNL-WMZOPIPTSA-N 0 0 360.429 2.893 20 10 FFCDRN Cc1cc(CC(=O)N(C)[C@@H]2COC[C@H]2O)c(C)n1-c1ccc(Cl)cc1 ZINC001558406951 1075999098 /nfs/dbraw/zinc/99/90/98/1075999098.db2.gz NGPXGMUGPYOMSW-QZTJIDSGSA-N 0 0 362.857 2.508 20 10 FFCDRN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCc1c(O)cccc1O ZINC001558536365 1076027730 /nfs/dbraw/zinc/02/77/30/1076027730.db2.gz WARHWQMFOJVSHC-UHFFFAOYSA-N 0 0 363.723 2.591 20 10 FFCDRN C[C@H]1CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C[C@H]1C ZINC001559560411 1076173285 /nfs/dbraw/zinc/17/32/85/1076173285.db2.gz KPXVXUGFFUTGDD-OKILXGFUSA-N 0 0 362.429 2.988 20 10 FFCDRN CN(C)c1cc(F)c(CNc2ccc(-n3ncn(C)c3=O)cc2)cc1F ZINC001560421442 1076272539 /nfs/dbraw/zinc/27/25/39/1076272539.db2.gz KCYJIYMKQRYYIV-UHFFFAOYSA-N 0 0 359.380 2.527 20 10 FFCDRN CCO[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])CN(C)C ZINC001560585619 1076282303 /nfs/dbraw/zinc/28/23/03/1076282303.db2.gz CUMNRIPDEXMFGE-LBPRGKRZSA-N 0 0 365.699 2.864 20 10 FFCDRN C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1cc(Cl)cc(Br)c1[O-] ZINC001560693472 1076291696 /nfs/dbraw/zinc/29/16/96/1076291696.db2.gz JDZKQBNGXPGGHP-IUCAKERBSA-N 0 0 361.667 2.894 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCC(CN=S(C)(C)=O)CC2)cc1F ZINC001561014801 1076319753 /nfs/dbraw/zinc/31/97/53/1076319753.db2.gz BQIPZHZHRSBAET-UHFFFAOYSA-N 0 0 359.486 2.970 20 10 FFCDRN Cc1cnc(Cl)c(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC001561244368 1076351246 /nfs/dbraw/zinc/35/12/46/1076351246.db2.gz VQUYICJCZJNKBP-UHFFFAOYSA-N 0 0 353.875 2.896 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCCNc2ncccn2)cc1 ZINC001563693023 1076575783 /nfs/dbraw/zinc/57/57/83/1076575783.db2.gz AFQYOQPPBIKLST-UHFFFAOYSA-N 0 0 356.474 2.624 20 10 FFCDRN CC[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1noc(C)n1 ZINC001564264682 1076620205 /nfs/dbraw/zinc/62/02/05/1076620205.db2.gz QDUXQNIYBPOSKV-HOTGVXAUSA-N 0 0 374.441 2.926 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N1C[C@@H]2CCC[C@]2(CO)C1 ZINC001564945647 1076672247 /nfs/dbraw/zinc/67/22/47/1076672247.db2.gz DOVLLTYHFYPBMV-PLMTUMEDSA-N 0 0 359.514 2.796 20 10 FFCDRN CO[C@H](C(=O)NCc1ccc(O)c(O)c1)c1ccc(Br)s1 ZINC001566359813 1076950818 /nfs/dbraw/zinc/95/08/18/1076950818.db2.gz ONMNECSIBHYWJB-ZDUSSCGKSA-N 0 0 372.240 2.926 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2cccnc2Br)c1 ZINC001566374419 1076953099 /nfs/dbraw/zinc/95/30/99/1076953099.db2.gz ISRHEZHPRATREH-JTQLQIEISA-N 0 0 365.227 2.978 20 10 FFCDRN CC(C)(NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)NCC1CCCC1 ZINC001566521165 1076966683 /nfs/dbraw/zinc/96/66/83/1076966683.db2.gz SKDLKTUIGNKRLC-UHFFFAOYSA-N 0 0 359.430 2.664 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCOC(=O)C1CC1 ZINC001568952634 1077120860 /nfs/dbraw/zinc/12/08/60/1077120860.db2.gz GEUYMRWLKWOZQD-UHFFFAOYSA-N 0 0 354.406 2.590 20 10 FFCDRN Cc1c(F)c(F)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001570282909 1077195283 /nfs/dbraw/zinc/19/52/83/1077195283.db2.gz DFBGDSJNSZLUFO-UHFFFAOYSA-N 0 0 356.350 2.603 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc3cccnc3c2O)c(N)c([N+](=O)[O-])c1 ZINC001570531805 1077213417 /nfs/dbraw/zinc/21/34/17/1077213417.db2.gz PHAXQNALEKVWAK-UHFFFAOYSA-N 0 0 352.350 2.669 20 10 FFCDRN C[C@H](c1ccccc1F)[C@H](O)C(=O)NCc1ccc2cccnc2c1O ZINC001570533487 1077213902 /nfs/dbraw/zinc/21/39/02/1077213902.db2.gz DPTJBHPQLKOYEM-XIKOKIGWSA-N 0 0 354.381 2.860 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@H](O)c2ccncc2)c1 ZINC001586423822 1079624847 /nfs/dbraw/zinc/62/48/47/1079624847.db2.gz NQZXTMHFRNAMHK-FQEVSTJZSA-N 0 0 363.417 2.765 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589962595 1080907014 /nfs/dbraw/zinc/90/70/14/1080907014.db2.gz HRMNHKHMAMOYHL-CABCVRRESA-N 0 0 364.453 2.749 20 10 FFCDRN Cc1cc(C[NH2+][C@@](C)(Cn2cccn2)C(=O)[O-])ccc1N1CCCCC1 ZINC001600203641 1126218264 /nfs/dbraw/zinc/21/82/64/1126218264.db2.gz RBFDLYNDKIXWSK-FQEVSTJZSA-N 0 0 356.470 2.815 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](n4cncn4)C3)ccc21 ZINC000368882565 512118984 /nfs/dbraw/zinc/11/89/84/512118984.db2.gz PTPFVXGDXJDNCO-QGZVFWFLSA-N 0 0 367.453 2.583 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(NC(C)=O)ccc3F)CC2)cc1 ZINC000052939451 506283405 /nfs/dbraw/zinc/28/34/05/506283405.db2.gz QYENJGDMVWHIHR-UHFFFAOYSA-N 0 0 371.412 2.755 20 10 FFCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)[C@@H]2CCOC2)C1 ZINC000410237528 512228554 /nfs/dbraw/zinc/22/85/54/512228554.db2.gz PUUBSDVXDHTEJF-IAGOWNOFSA-N 0 0 369.509 2.949 20 10 FFCDRN CCOC(=O)N1CCC(NC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000053548913 506401786 /nfs/dbraw/zinc/40/17/86/506401786.db2.gz MRHZNWWSPVPLCN-UHFFFAOYSA-N 0 0 362.474 2.515 20 10 FFCDRN O=C(CCC(=O)c1ccccc1)NCc1ccc(N2CCOCC2)cc1 ZINC000054285333 506531118 /nfs/dbraw/zinc/53/11/18/506531118.db2.gz QINMXYPUFWBMGM-UHFFFAOYSA-N 0 0 352.434 2.803 20 10 FFCDRN Cc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000054285400 506532074 /nfs/dbraw/zinc/53/20/74/506532074.db2.gz UIBQTOVIVGBUMQ-UHFFFAOYSA-N 0 0 355.394 2.670 20 10 FFCDRN COc1cc(F)ccc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054407820 506554131 /nfs/dbraw/zinc/55/41/31/506554131.db2.gz MVZGIJMLANZFRX-UHFFFAOYSA-N 0 0 359.401 2.993 20 10 FFCDRN Cc1ncc(CN(C)C(=O)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000054786887 506622151 /nfs/dbraw/zinc/62/21/51/506622151.db2.gz NWSDEZCKZLOOBK-UHFFFAOYSA-N 0 0 360.483 2.630 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc3c(c2)CCO3)SC1=S ZINC000055181483 506693554 /nfs/dbraw/zinc/69/35/54/506693554.db2.gz URSNEJAMFFWSGU-UVTDQMKNSA-N 0 0 363.460 2.776 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] ZINC000010907155 506758028 /nfs/dbraw/zinc/75/80/28/506758028.db2.gz WFEPYWWYTYWEEU-UHFFFAOYSA-N 0 0 369.421 2.633 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000055522281 506768440 /nfs/dbraw/zinc/76/84/40/506768440.db2.gz OJQRQTKUKXRNET-SJPCQFCGSA-N 0 0 374.456 2.674 20 10 FFCDRN CN(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000055522884 506769021 /nfs/dbraw/zinc/76/90/21/506769021.db2.gz WEZXKNLFPVPALY-UHFFFAOYSA-N 0 0 357.429 2.658 20 10 FFCDRN Cc1noc(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000055530576 506771261 /nfs/dbraw/zinc/77/12/61/506771261.db2.gz SNQBILIILPDKRJ-TXEJJXNPSA-N 0 0 361.417 2.974 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000055877629 506874747 /nfs/dbraw/zinc/87/47/47/506874747.db2.gz DPVZTTOOQFFKMI-UHFFFAOYSA-N 0 0 355.394 2.956 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)c(O)c1 ZINC000373387671 512305661 /nfs/dbraw/zinc/30/56/61/512305661.db2.gz WNDWTKHIIFRFFB-LPHOPBHVSA-N 0 0 356.422 2.978 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ncc2ccccc2c1=O ZINC000045056005 506913126 /nfs/dbraw/zinc/91/31/26/506913126.db2.gz RGOOTVAMVBWFRJ-UHFFFAOYSA-N 0 0 364.449 2.511 20 10 FFCDRN CN(CC(=O)N1CCc2ccccc21)Cc1ccc(N2CCOCC2)cc1 ZINC000015571689 507048116 /nfs/dbraw/zinc/04/81/16/507048116.db2.gz DZSRVPXTUOFEHM-UHFFFAOYSA-N 0 0 365.477 2.544 20 10 FFCDRN Cc1noc(C)c1CCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000016134585 507075562 /nfs/dbraw/zinc/07/55/62/507075562.db2.gz FKGJLUAWLNCUPV-UHFFFAOYSA-N 0 0 357.454 2.719 20 10 FFCDRN CCOCCCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000046405331 507131536 /nfs/dbraw/zinc/13/15/36/507131536.db2.gz QEHBKAVLHYNYPB-UHFFFAOYSA-N 0 0 374.403 2.975 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000373419104 512321708 /nfs/dbraw/zinc/32/17/08/512321708.db2.gz UGVWEVUPOASRKP-TZIWHRDSSA-N 0 0 373.497 2.766 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000046901575 507219854 /nfs/dbraw/zinc/21/98/54/507219854.db2.gz YQWSDMBKIOKLJB-UHFFFAOYSA-N 0 0 363.458 2.933 20 10 FFCDRN COc1ccc(N2CCN([C@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000049636412 507625861 /nfs/dbraw/zinc/62/58/61/507625861.db2.gz NHHGCTLNGSNBQJ-OAHLLOKOSA-N 0 0 364.449 2.815 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1c[nH]c(=S)[nH]1 ZINC000367127513 512351110 /nfs/dbraw/zinc/35/11/10/512351110.db2.gz XLBMZMOCRIJESG-UHFFFAOYSA-N 0 0 368.409 2.699 20 10 FFCDRN Cc1cc(C(=O)N2CCCS(=O)(=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000377613135 512353203 /nfs/dbraw/zinc/35/32/03/512353203.db2.gz YFZUZNASRNNLSQ-UHFFFAOYSA-N 0 0 360.479 2.663 20 10 FFCDRN C[C@@H](NC(=O)c1cccs1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000028332163 507720599 /nfs/dbraw/zinc/72/05/99/507720599.db2.gz NGWUAZBPHHTJCO-CQSZACIVSA-N 0 0 357.479 2.783 20 10 FFCDRN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078353206 507863986 /nfs/dbraw/zinc/86/39/86/507863986.db2.gz YXKPKQANHGKHLW-XOVJRCOKSA-N 0 0 365.543 2.974 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccnc3)cc2)CC1 ZINC000108616526 507908760 /nfs/dbraw/zinc/90/87/60/507908760.db2.gz SXMMDTHHZJZLCV-UHFFFAOYSA-N 0 0 352.438 2.573 20 10 FFCDRN CC[C@@H](CSC)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000091213086 507969130 /nfs/dbraw/zinc/96/91/30/507969130.db2.gz HZTIVYIONLSDHZ-HNNXBMFYSA-N 0 0 369.506 2.945 20 10 FFCDRN C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cnn(C)c1 ZINC000074474337 508026015 /nfs/dbraw/zinc/02/60/15/508026015.db2.gz DBIXWJGNNKEMRM-PBHICJAKSA-N 0 0 358.442 2.578 20 10 FFCDRN Cc1cc(C(=O)N2CCC(C3OCCO3)CC2)c(C)n1-c1ccccn1 ZINC000110414021 508026438 /nfs/dbraw/zinc/02/64/38/508026438.db2.gz OKIRRKDMQCDRRS-UHFFFAOYSA-N 0 0 355.438 2.714 20 10 FFCDRN Cc1cc(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)no1 ZINC000074590592 508037018 /nfs/dbraw/zinc/03/70/18/508037018.db2.gz AVNZXSMNELIHJG-UHFFFAOYSA-N 0 0 365.380 2.912 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCCO1 ZINC000080660108 508092194 /nfs/dbraw/zinc/09/21/94/508092194.db2.gz XCNBSVDJULXCGE-CYBMUJFWSA-N 0 0 357.248 2.865 20 10 FFCDRN COCCN(CC(=O)N(C)c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000081155934 508142322 /nfs/dbraw/zinc/14/23/22/508142322.db2.gz QIVVPHLWYFVGJC-UHFFFAOYSA-N 0 0 358.438 2.820 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 ZINC000093908130 508159877 /nfs/dbraw/zinc/15/98/77/508159877.db2.gz PNCNJPOLRUMFIX-SWLSCSKDSA-N 0 0 352.456 2.559 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C/c3cnc(C)s3)CC2)cc1F ZINC000084814834 508294083 /nfs/dbraw/zinc/29/40/83/508294083.db2.gz DEGPLDUNMGNQMP-GQCTYLIASA-N 0 0 361.442 2.961 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000104403082 508334072 /nfs/dbraw/zinc/33/40/72/508334072.db2.gz PSPYRJMGCILLHJ-UHFFFAOYSA-N 0 0 366.870 2.618 20 10 FFCDRN O=C(CCc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCOCC2)cc1 ZINC000087169976 508340890 /nfs/dbraw/zinc/34/08/90/508340890.db2.gz 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CC(C)(C)CCS(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151256611 508987427 /nfs/dbraw/zinc/98/74/27/508987427.db2.gz RCLMYCBXKQIBRT-UHFFFAOYSA-N 0 0 372.506 2.642 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC[C@@H]1C ZINC000160626597 509012224 /nfs/dbraw/zinc/01/22/24/509012224.db2.gz WVRXMVGJWVHFDE-GJZGRUSLSA-N 0 0 363.477 2.974 20 10 FFCDRN COc1cc(N(C)CC(=O)N(CC(C)C)C2CC2)cc(OC)c1OC ZINC000125685819 509016839 /nfs/dbraw/zinc/01/68/39/509016839.db2.gz KTGSMMFNNFHAMA-UHFFFAOYSA-N 0 0 350.459 2.796 20 10 FFCDRN CCC(=O)N1CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000151719864 509072115 /nfs/dbraw/zinc/07/21/15/509072115.db2.gz GLMQEXFXWWFZPG-SFHVURJKSA-N 0 0 372.513 2.829 20 10 FFCDRN CC(C)(C)OC(=O)NCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000126615935 509102941 /nfs/dbraw/zinc/10/29/41/509102941.db2.gz AXLCKCYNCWKEFV-UHFFFAOYSA-N 0 0 374.485 2.777 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]2c2nncn2C)cc1F ZINC000133132061 509120854 /nfs/dbraw/zinc/12/08/54/509120854.db2.gz 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CCCOc1ccc(CN2CCN(C(=O)c3cccnc3)CC2)c(O)c1 ZINC000179493798 509476769 /nfs/dbraw/zinc/47/67/69/509476769.db2.gz QHFJXLSCMCIPTD-UHFFFAOYSA-N 0 0 355.438 2.534 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](C(=O)NCCc2ccc(N)cc2)C(C)C)cc1 ZINC000236737579 509494176 /nfs/dbraw/zinc/49/41/76/509494176.db2.gz SQAWXYVLOVKCEG-IBGZPJMESA-N 0 0 353.466 2.691 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@]4(CCOC4)C3)c2C)cc1 ZINC000186072494 509510295 /nfs/dbraw/zinc/51/02/95/509510295.db2.gz OMPCUSOORYTXHZ-OAQYLSRUSA-N 0 0 370.449 2.734 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NC[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000179586202 509526214 /nfs/dbraw/zinc/52/62/14/509526214.db2.gz ZCTYWSRHXYKRAC-QGZVFWFLSA-N 0 0 367.449 2.582 20 10 FFCDRN CSCc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000186207054 509577617 /nfs/dbraw/zinc/57/76/17/509577617.db2.gz BUMLONQOITZMEM-UHFFFAOYSA-N 0 0 357.479 2.871 20 10 FFCDRN Cc1nccn1CCCCNC(=O)NCc1ccc2c(c1)CCCN2C ZINC000173426722 509591267 /nfs/dbraw/zinc/59/12/67/509591267.db2.gz 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CC(C)C[C@@H](C(=O)N[C@H](C)Cc1ccc(O)c(O)c1)N1CCCCC1=O ZINC000183480402 509816019 /nfs/dbraw/zinc/81/60/19/509816019.db2.gz KBXYGVHKTPDMGL-ZBFHGGJFSA-N 0 0 362.470 2.572 20 10 FFCDRN CN(CCC(=O)OC(C)(C)C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000268296502 509857828 /nfs/dbraw/zinc/85/78/28/509857828.db2.gz SYYQEGKXMXHOOH-JXMROGBWSA-N 0 0 374.481 2.727 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000265119846 509871031 /nfs/dbraw/zinc/87/10/31/509871031.db2.gz CHXUYVSPFRBAOQ-MSOLQXFVSA-N 0 0 374.529 2.931 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccccc1Cl ZINC000174064041 509930929 /nfs/dbraw/zinc/93/09/29/509930929.db2.gz IISRRNBTLWAUTR-UHFFFAOYSA-N 0 0 352.843 2.994 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CC3CCOCC3)cc2F)C[C@H](C)O1 ZINC000265264157 509954251 /nfs/dbraw/zinc/95/42/51/509954251.db2.gz BFFXDUCXDJDKAS-GASCZTMLSA-N 0 0 364.461 2.872 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCC[C@@H]3CCCO3)CC2)cc1 ZINC000190145035 509966133 /nfs/dbraw/zinc/96/61/33/509966133.db2.gz JWWXLZYKOXFNPH-SFHVURJKSA-N 0 0 364.511 2.646 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2nnc(C3CC3)n2C2CC2)cc1 ZINC000183808075 509985871 /nfs/dbraw/zinc/98/58/71/509985871.db2.gz MQTYVZAVSYPPJB-UHFFFAOYSA-N 0 0 356.426 2.679 20 10 FFCDRN CC(C)C1(C)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000190328799 510067054 /nfs/dbraw/zinc/06/70/54/510067054.db2.gz KJFYHPIMUGQRTB-UHFFFAOYSA-N 0 0 354.472 2.662 20 10 FFCDRN CC(C)c1cnc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000190346036 510077934 /nfs/dbraw/zinc/07/79/34/510077934.db2.gz PFODLPYSKHMTDT-UHFFFAOYSA-N 0 0 360.483 2.930 20 10 FFCDRN Cc1cc(C)nc(-n2nccc2NC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000190409339 510114928 /nfs/dbraw/zinc/11/49/28/510114928.db2.gz MPHPXDZIRXSZQS-UHFFFAOYSA-N 0 0 365.441 2.667 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC(O)(c3ccccc3)CC2)cc1 ZINC000184103733 510133419 /nfs/dbraw/zinc/13/34/19/510133419.db2.gz MGUINPKUXGWRBE-UHFFFAOYSA-N 0 0 353.466 2.946 20 10 FFCDRN CS(=O)(=O)Cc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000174520285 510156828 /nfs/dbraw/zinc/15/68/28/510156828.db2.gz ZJODQNXPRPCZNT-UHFFFAOYSA-N 0 0 373.474 2.746 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cnn(C)c1 ZINC000174652863 510231597 /nfs/dbraw/zinc/23/15/97/510231597.db2.gz NCGNFGKTOMYRJM-UHFFFAOYSA-N 0 0 353.220 2.942 20 10 FFCDRN COc1ccc(N2CCN(Cc3cc(-c4cnn(C)c4C)no3)CC2)cc1 ZINC000184403784 510308306 /nfs/dbraw/zinc/30/83/06/510308306.db2.gz IUHCVKICASUKRN-UHFFFAOYSA-N 0 0 367.453 2.714 20 10 FFCDRN CC1(C)CN(CC(F)(F)F)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000181313391 510351279 /nfs/dbraw/zinc/35/12/79/510351279.db2.gz ZYLJXLDHDDFVIO-GQCTYLIASA-N 0 0 358.360 2.596 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccnc2-n2cncn2)cc1 ZINC000171776703 510363464 /nfs/dbraw/zinc/36/34/64/510363464.db2.gz VBSXKYUEHSBXFR-UHFFFAOYSA-N 0 0 365.441 2.830 20 10 FFCDRN COC[C@@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000184638506 510434561 /nfs/dbraw/zinc/43/45/61/510434561.db2.gz GWMYTHJCZLOFBP-GOSISDBHSA-N 0 0 359.470 2.590 20 10 FFCDRN COc1ccc(NC(=O)CN(C)c2ccc(OC)cc2OC)c(OC)c1 ZINC000269761023 510538057 /nfs/dbraw/zinc/53/80/57/510538057.db2.gz BKKOITWVAYWFSA-UHFFFAOYSA-N 0 0 360.410 2.796 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cnn(CC(C)C)c3)CC2)cc1 ZINC000266414596 510571927 /nfs/dbraw/zinc/57/19/27/510571927.db2.gz SGBFJHORTOLNIK-UHFFFAOYSA-N 0 0 357.458 2.902 20 10 FFCDRN COC(=O)c1[nH]c(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)c1C ZINC000178405813 510587327 /nfs/dbraw/zinc/58/73/27/510587327.db2.gz IKYUKKSDFNFABK-UHFFFAOYSA-N 0 0 355.438 2.948 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCS3)cc2F)C[C@H](C)O1 ZINC000266631787 510698642 /nfs/dbraw/zinc/69/86/42/510698642.db2.gz WYNCMARCYKJZCK-IIYDPXPESA-N 0 0 352.475 2.951 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCc1ccccn1 ZINC000191528656 510706202 /nfs/dbraw/zinc/70/62/02/510706202.db2.gz YCADPCDQZYUOGS-UHFFFAOYSA-N 0 0 362.813 2.575 20 10 FFCDRN Cc1nn(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)c1[N+](=O)[O-] ZINC000263692795 510793676 /nfs/dbraw/zinc/79/36/76/510793676.db2.gz RSZYUDXPTTZHIS-UHFFFAOYSA-N 0 0 359.430 2.523 20 10 FFCDRN Cc1c([C@H]2OCC[C@@H]2C(=O)NCc2ccc3c(c2)CCCN3C)cnn1C ZINC000275343754 510876692 /nfs/dbraw/zinc/87/66/92/510876692.db2.gz IEOMTNPTKLGEBL-PXNSSMCTSA-N 0 0 368.481 2.505 20 10 FFCDRN CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000275639735 510908138 /nfs/dbraw/zinc/90/81/38/510908138.db2.gz SXOQVUIKOYQDQU-BBRMVZONSA-N 0 0 351.834 2.890 20 10 FFCDRN CCS(=O)(=O)c1ccccc1N1CCN(c2ccc(OC)cc2)CC1 ZINC000276375363 510934704 /nfs/dbraw/zinc/93/47/04/510934704.db2.gz XYOSPSXPFANCCF-UHFFFAOYSA-N 0 0 360.479 2.815 20 10 FFCDRN COCCN(Cc1nccc(OC)c1OC)c1ccc(OC)c(OC)c1 ZINC000276462671 510939110 /nfs/dbraw/zinc/93/91/10/510939110.db2.gz MFTIKBHYWLPWAM-UHFFFAOYSA-N 0 0 362.426 2.769 20 10 FFCDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000276529446 510940393 /nfs/dbraw/zinc/94/03/93/510940393.db2.gz KXXIVWWDZXKHHH-YLQAJVPDSA-N 0 0 371.433 2.966 20 10 FFCDRN CCOc1ccc(O)c(CN[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)c1 ZINC000276742488 510945640 /nfs/dbraw/zinc/94/56/40/510945640.db2.gz JEUAFRPAHXNXRU-GOSISDBHSA-N 0 0 361.394 2.509 20 10 FFCDRN COc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc([N+](=O)[O-])c1C ZINC000276806902 510947093 /nfs/dbraw/zinc/94/70/93/510947093.db2.gz LPYWZCNQZPWVQW-JTQLQIEISA-N 0 0 360.366 2.684 20 10 FFCDRN CN(C)c1ccc(CN2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1F ZINC000277184802 510955340 /nfs/dbraw/zinc/95/53/40/510955340.db2.gz ARIBTSLPBXKCAI-SFHVURJKSA-N 0 0 353.397 2.781 20 10 FFCDRN Cc1nc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cs1 ZINC000277574237 510966292 /nfs/dbraw/zinc/96/62/92/510966292.db2.gz YAZHXWVIAAIQIL-UHFFFAOYSA-N 0 0 365.842 2.817 20 10 FFCDRN O=C(CN1CCCCCCC1=O)NCc1cccc(Br)c1O ZINC000277612234 510967174 /nfs/dbraw/zinc/96/71/74/510967174.db2.gz VIFMCYFKABCMJM-UHFFFAOYSA-N 0 0 369.259 2.564 20 10 FFCDRN C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1CCCCO1 ZINC000277604887 510966917 /nfs/dbraw/zinc/96/69/17/510966917.db2.gz VMEVRHLUGQXIEP-MFKMUULPSA-N 0 0 357.248 2.912 20 10 FFCDRN Cc1n[nH]cc1CCCNC(=O)NCc1cccc(Br)c1O ZINC000277667024 510969294 /nfs/dbraw/zinc/96/92/94/510969294.db2.gz ZQFVETGOKWAFFV-UHFFFAOYSA-N 0 0 367.247 2.618 20 10 FFCDRN CN(Cc1nncn1-c1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000278167954 510984045 /nfs/dbraw/zinc/98/40/45/510984045.db2.gz PXANXUWBLSXRLZ-UHFFFAOYSA-N 0 0 363.465 2.736 20 10 FFCDRN CC(=O)N1CCN(CC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CC1 ZINC000278231153 510985007 /nfs/dbraw/zinc/98/50/07/510985007.db2.gz KHYNQRMCKGYHCF-LLVKDONJSA-N 0 0 360.285 2.514 20 10 FFCDRN COC(C)(C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000278299740 510988058 /nfs/dbraw/zinc/98/80/58/510988058.db2.gz SCEWOLFIVBLTBX-ZIAGYGMSSA-N 0 0 352.450 2.871 20 10 FFCDRN CCc1ccc([C@H](COC)NCc2ccc([N+](=O)[O-])c(OC)c2O)o1 ZINC000278518643 510996102 /nfs/dbraw/zinc/99/61/02/510996102.db2.gz RLWQHRXGGCKAIZ-ZDUSSCGKSA-N 0 0 350.371 2.942 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)CC[C@@H]1CCOC1 ZINC000294264978 511007698 /nfs/dbraw/zinc/00/76/98/511007698.db2.gz XDBMONOXMKJQCP-SFHVURJKSA-N 0 0 366.527 2.865 20 10 FFCDRN CCN(CC)c1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cn1 ZINC000278842395 511008560 /nfs/dbraw/zinc/00/85/60/511008560.db2.gz JYTOOXNSZOIEHY-UHFFFAOYSA-N 0 0 360.414 2.840 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000270889223 511016310 /nfs/dbraw/zinc/01/63/10/511016310.db2.gz OSIHWOCISOYXGS-HUUCEWRRSA-N 0 0 359.392 2.788 20 10 FFCDRN Cc1nn(C)c(CNCc2ccc(N(C)C)c(F)c2)c1Br ZINC000279091485 511018460 /nfs/dbraw/zinc/01/84/60/511018460.db2.gz IHAVPXMJXKHZMM-UHFFFAOYSA-N 0 0 355.255 2.986 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCC3(O)CCOCC3)c2C)cc1 ZINC000286085124 511018783 /nfs/dbraw/zinc/01/87/83/511018783.db2.gz JXYOAWFUPHQPNC-UHFFFAOYSA-N 0 0 372.465 2.764 20 10 FFCDRN CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1cccc(O)c1O ZINC000279101147 511019408 /nfs/dbraw/zinc/01/94/08/511019408.db2.gz JGSUHYVJZXMVCR-UHFFFAOYSA-N 0 0 358.394 2.597 20 10 FFCDRN COCCOc1cncc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000282580392 511033303 /nfs/dbraw/zinc/03/33/03/511033303.db2.gz DOEVTGFYMMEJEV-UHFFFAOYSA-N 0 0 355.438 2.637 20 10 FFCDRN COC(=O)c1ccc(CC(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000294366357 511041020 /nfs/dbraw/zinc/04/10/20/511041020.db2.gz GQQVYJWJOCFXEO-UHFFFAOYSA-N 0 0 352.434 2.932 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCOc3cc(O)ccc3C2)cc1F ZINC000287190371 511043684 /nfs/dbraw/zinc/04/36/84/511043684.db2.gz KYBBRDMHWSQLJO-UHFFFAOYSA-N 0 0 359.401 2.702 20 10 FFCDRN COc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccn1 ZINC000287662929 511054103 /nfs/dbraw/zinc/05/41/03/511054103.db2.gz KUJWYGYSLJPUCF-UHFFFAOYSA-N 0 0 370.453 2.621 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CCCSC1 ZINC000287851696 511059287 /nfs/dbraw/zinc/05/92/87/511059287.db2.gz CKICTCNXTZXRHB-KRWDZBQOSA-N 0 0 363.527 2.808 20 10 FFCDRN CCOc1cccc(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c1O ZINC000271049319 511068675 /nfs/dbraw/zinc/06/86/75/511068675.db2.gz ULNGZAMCNQFMOC-HNNXBMFYSA-N 0 0 359.422 2.857 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCCc1ccccn1 ZINC000288237625 511068921 /nfs/dbraw/zinc/06/89/21/511068921.db2.gz QJULWKIAPWPRAW-UHFFFAOYSA-N 0 0 369.465 2.665 20 10 FFCDRN COCCCOc1ccc(CNC(=O)NCc2cccc(OC)c2O)cc1 ZINC000288561418 511079801 /nfs/dbraw/zinc/07/98/01/511079801.db2.gz VXAFPQIJPUIILC-UHFFFAOYSA-N 0 0 374.437 2.816 20 10 FFCDRN CCN(CC1CC1)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000297826027 511080323 /nfs/dbraw/zinc/08/03/23/511080323.db2.gz TUKXDZOHYYFHDZ-UHFFFAOYSA-N 0 0 357.498 2.894 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)N(C)CC2CC2)cc1 ZINC000297885106 511099517 /nfs/dbraw/zinc/09/95/17/511099517.db2.gz ODZKPMPUAGILBF-UHFFFAOYSA-N 0 0 369.465 2.743 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3n(n2)CCC3)cc1 ZINC000294590531 511113966 /nfs/dbraw/zinc/11/39/66/511113966.db2.gz CDEMKQKPKSHBMF-LJQANCHMSA-N 0 0 368.481 2.717 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCCC[C@H]1c1nnc([C@H]2CCCO2)o1 ZINC000290776992 511149988 /nfs/dbraw/zinc/14/99/88/511149988.db2.gz WJVOWENDJFHJMH-GXTWGEPZSA-N 0 0 359.382 2.700 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C1CCCC1)C(F)(F)F ZINC000298031342 511150186 /nfs/dbraw/zinc/15/01/86/511150186.db2.gz FOFGYXILKAYAHB-AWEZNQCLSA-N 0 0 358.360 2.588 20 10 FFCDRN CCOCc1nc([C@H](C)NCc2cc(Br)ccc2O)no1 ZINC000290960424 511155324 /nfs/dbraw/zinc/15/53/24/511155324.db2.gz RLUOEQBDCIEQNH-VIFPVBQESA-N 0 0 356.220 2.925 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CCCO1 ZINC000291081173 511159496 /nfs/dbraw/zinc/15/94/96/511159496.db2.gz JVKIIYHGRCWSOO-HNNXBMFYSA-N 0 0 353.426 2.794 20 10 FFCDRN C[C@H](NC(=O)NCc1ccccc1O)c1ccc(N2CCCNC2=O)cc1 ZINC000291366691 511167789 /nfs/dbraw/zinc/16/77/89/511167789.db2.gz RDYRJEZKNAGSDA-AWEZNQCLSA-N 0 0 368.437 2.872 20 10 FFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccc(N2CCOCC2)n1 ZINC000294828737 511191522 /nfs/dbraw/zinc/19/15/22/511191522.db2.gz YHYYRKSTWSTMEA-UHFFFAOYSA-N 0 0 351.809 2.706 20 10 FFCDRN Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc(C)c(O)c3O)C2)n1 ZINC000365018477 511208806 /nfs/dbraw/zinc/20/88/06/511208806.db2.gz OQVZPLFKJWQBCJ-AWEZNQCLSA-N 0 0 369.421 2.601 20 10 FFCDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000283128347 511246714 /nfs/dbraw/zinc/24/67/14/511246714.db2.gz NJPNLQUEDVOYRF-NSHDSACASA-N 0 0 360.366 2.766 20 10 FFCDRN CC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])NC(=O)OC(C)(C)C ZINC000295011521 511253364 /nfs/dbraw/zinc/25/33/64/511253364.db2.gz JNDUFKQBZBRPGK-GFCCVEGCSA-N 0 0 369.418 2.702 20 10 FFCDRN COc1c([O-])c(C[NH+]2CCC3(CCC(O)CC3)CC2)ccc1[N+](=O)[O-] ZINC000295075839 511273045 /nfs/dbraw/zinc/27/30/45/511273045.db2.gz HUPWOQFBGRBNTC-UHFFFAOYSA-N 0 0 350.415 2.826 20 10 FFCDRN Cc1cc(C(=O)N(CCCO)Cc2ccccn2)c(C)n1-c1ccccn1 ZINC000279937300 511273208 /nfs/dbraw/zinc/27/32/08/511273208.db2.gz CIHCYVDKFGNOPI-UHFFFAOYSA-N 0 0 364.449 2.909 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ocnc1C1CC1 ZINC000291632220 511276018 /nfs/dbraw/zinc/27/60/18/511276018.db2.gz HXPRROVTTFNMCO-UHFFFAOYSA-N 0 0 364.785 2.726 20 10 FFCDRN CC(=O)N1CCC[C@H]1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000291671000 511290757 /nfs/dbraw/zinc/29/07/57/511290757.db2.gz GLBKXPPUVDYRIQ-INIZCTEOSA-N 0 0 371.403 2.654 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1nc(C)cs1 ZINC000283400101 511352181 /nfs/dbraw/zinc/35/21/81/511352181.db2.gz INTLLFFNTMQNGH-UHFFFAOYSA-N 0 0 361.467 2.602 20 10 FFCDRN CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3c(F)ccc(O)c3O)ccc2NC1=O ZINC000295368961 511380116 /nfs/dbraw/zinc/38/01/16/511380116.db2.gz RPAIAXOQGUJCPG-XPTSAGLGSA-N 0 0 374.368 2.837 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)c(C)n1-c1ccccn1 ZINC000280232716 511385246 /nfs/dbraw/zinc/38/52/46/511385246.db2.gz XRGNXWARASVGOY-OXJNMPFZSA-N 0 0 355.438 2.509 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000298839944 511427033 /nfs/dbraw/zinc/42/70/33/511427033.db2.gz HAKWXLVGKRYGFE-UHFFFAOYSA-N 0 0 358.398 2.669 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H]2CCC(F)(F)C2)cc1 ZINC000283734010 511481201 /nfs/dbraw/zinc/48/12/01/511481201.db2.gz COWIJWYQCMHYEW-HNNXBMFYSA-N 0 0 367.440 2.701 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1O ZINC000272433829 511493978 /nfs/dbraw/zinc/49/39/78/511493978.db2.gz DNZRQTMVWONTSH-UHFFFAOYSA-N 0 0 358.413 2.731 20 10 FFCDRN C[C@@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCS1(=O)=O ZINC000280521676 511497597 /nfs/dbraw/zinc/49/75/97/511497597.db2.gz HUBQEPOOSNCSGW-GFCCVEGCSA-N 0 0 364.433 2.780 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)N3CCCCO3)cc2F)C[C@H](C)O1 ZINC000283781107 511498178 /nfs/dbraw/zinc/49/81/78/511498178.db2.gz REMFDFFMJDBTRT-KBPBESRZSA-N 0 0 351.422 2.676 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C2)c(O)c1O ZINC000272766540 511506874 /nfs/dbraw/zinc/50/68/74/511506874.db2.gz RJYPYLSUWZCYEE-OCCSQVGLSA-N 0 0 364.442 2.782 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)Nc2ccc(C(C)=O)cc2)cc1 ZINC000273020752 511515286 /nfs/dbraw/zinc/51/52/86/511515286.db2.gz AJUAAGKTLNEFMA-UHFFFAOYSA-N 0 0 370.405 2.516 20 10 FFCDRN CN(C)c1ccc(CN(Cc2cn(Cc3cccnc3)nn2)C2CC2)cc1 ZINC000273485019 511529253 /nfs/dbraw/zinc/52/92/53/511529253.db2.gz LSTCAWFHBHZUKM-UHFFFAOYSA-N 0 0 362.481 2.952 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCC12CCOCC2 ZINC000292318241 511551575 /nfs/dbraw/zinc/55/15/75/511551575.db2.gz MCAKUGIMFQWLLL-GOSISDBHSA-N 0 0 374.481 2.596 20 10 FFCDRN CSCCCCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283965282 511559193 /nfs/dbraw/zinc/55/91/93/511559193.db2.gz IPJIFQJOUJZTKR-UHFFFAOYSA-N 0 0 363.527 2.553 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@@]12CCCO2 ZINC000273645744 511561571 /nfs/dbraw/zinc/56/15/71/511561571.db2.gz IBJCNCFIKYYDKG-ZVDOUQERSA-N 0 0 371.481 2.589 20 10 FFCDRN COc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1OC(C)C ZINC000273697038 511578965 /nfs/dbraw/zinc/57/89/65/511578965.db2.gz LAQAXBJRRSCVSO-UHFFFAOYSA-N 0 0 372.421 2.785 20 10 FFCDRN CN(C)c1ccc(CNc2cc(C(F)(F)F)nc3ncnn32)cc1F ZINC000299299927 511584559 /nfs/dbraw/zinc/58/45/59/511584559.db2.gz AIIODAJWIKLBPX-UHFFFAOYSA-N 0 0 354.311 2.960 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H]1CCN(c2ccccc2F)C1 ZINC000292418627 511590031 /nfs/dbraw/zinc/59/00/31/511590031.db2.gz KSGUHXSHSZBXQQ-PMGBHYCQSA-N 0 0 356.397 2.893 20 10 FFCDRN O=S(=O)(CCC1CCOCC1)NCc1ccc(N2CCCC2)cc1 ZINC000292436045 511597065 /nfs/dbraw/zinc/59/70/65/511597065.db2.gz MBEFYTJZTHEMOW-UHFFFAOYSA-N 0 0 352.500 2.523 20 10 FFCDRN COC1CCN(c2ccc(Cn3cc([N+](=O)[O-])c(C)cc3=O)cc2)CC1 ZINC000296061740 511606728 /nfs/dbraw/zinc/60/67/28/511606728.db2.gz REHRSUKZJKHLJF-UHFFFAOYSA-N 0 0 357.410 2.728 20 10 FFCDRN CCCCOCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000299368953 511610464 /nfs/dbraw/zinc/61/04/64/511610464.db2.gz ZGVNBHODSGOJGB-QGZVFWFLSA-N 0 0 350.459 2.900 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000299420519 511629653 /nfs/dbraw/zinc/62/96/53/511629653.db2.gz WMSKLZFONAMGBJ-UHFFFAOYSA-N 0 0 353.466 2.861 20 10 FFCDRN C[C@H]1CN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)CCO1 ZINC000292613507 511661074 /nfs/dbraw/zinc/66/10/74/511661074.db2.gz IRTNJUJOMLZNKM-WMKWSGJFSA-N 0 0 354.406 2.975 20 10 FFCDRN O=C(NCC1CCOCC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000284316412 511681800 /nfs/dbraw/zinc/68/18/00/511681800.db2.gz ZOHIROCEOIAZNR-UHFFFAOYSA-N 0 0 374.481 2.596 20 10 FFCDRN COc1ccc(N2CCC(Nc3nnnn3-c3ccccc3)CC2)cc1 ZINC000301195802 511689731 /nfs/dbraw/zinc/68/97/31/511689731.db2.gz UHKUWGLKNXDBFR-UHFFFAOYSA-N 0 0 350.426 2.752 20 10 FFCDRN COc1ccccc1[C@@H]1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000301692915 511699378 /nfs/dbraw/zinc/69/93/78/511699378.db2.gz OLOOZZNYUBDWAK-GFCCVEGCSA-N 0 0 369.377 2.928 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cc(C=O)c[nH]3)cc2F)C[C@H](C)O1 ZINC000292777672 511717184 /nfs/dbraw/zinc/71/71/84/511717184.db2.gz KGLUEYQMPMPYOX-STQMWFEESA-N 0 0 359.401 2.510 20 10 FFCDRN CN1CCCc2cc(CNC(=O)C(=O)Nc3cccc(C4CC4)n3)ccc21 ZINC000293035083 511815192 /nfs/dbraw/zinc/81/51/92/511815192.db2.gz JGSVMCSFIUIJQN-UHFFFAOYSA-N 0 0 364.449 2.596 20 10 FFCDRN COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1OC ZINC000296633340 511829686 /nfs/dbraw/zinc/82/96/86/511829686.db2.gz BLKGNOIVVMDRCR-IERDGZPVSA-N 0 0 357.450 2.980 20 10 FFCDRN Cc1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1C(=O)N(C)C ZINC000281424813 511843743 /nfs/dbraw/zinc/84/37/43/511843743.db2.gz PJXQYJIIMFJZEC-ZDUSSCGKSA-N 0 0 371.437 2.861 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCCCCS(C)(=O)=O)cc1 ZINC000274730515 511924073 /nfs/dbraw/zinc/92/40/73/511924073.db2.gz WJKXEWMPZJESFB-UHFFFAOYSA-N 0 0 369.531 2.547 20 10 FFCDRN Cc1cc(=O)c(C(=O)N2CCOc3cc(N(C)C)ccc32)cn1C1CC1 ZINC000328778676 511931362 /nfs/dbraw/zinc/93/13/62/511931362.db2.gz LTPQWZGFGWILMY-UHFFFAOYSA-N 0 0 353.422 2.597 20 10 FFCDRN CC(C)Oc1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000296871940 511931551 /nfs/dbraw/zinc/93/15/51/511931551.db2.gz KAZVWKXBQRGIGK-CYBMUJFWSA-N 0 0 372.421 2.571 20 10 FFCDRN C[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1 ZINC000293490378 511983666 /nfs/dbraw/zinc/98/36/66/511983666.db2.gz RTSYJJZQDSAAQW-YKDGGQQDSA-N 0 0 366.461 2.775 20 10 FFCDRN CCN(CC)Cc1nc(C2(NC(=O)c3cccc(O)c3O)CCCC2)no1 ZINC000274950549 511996054 /nfs/dbraw/zinc/99/60/54/511996054.db2.gz HWQFNOFMWLLKNR-UHFFFAOYSA-N 0 0 374.441 2.522 20 10 FFCDRN CCc1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nn1-c1ccccc1 ZINC000274964717 512000386 /nfs/dbraw/zinc/00/03/86/512000386.db2.gz URBZUKXEQPLZOF-ZDUSSCGKSA-N 0 0 366.421 2.602 20 10 FFCDRN CC(C)n1ncc2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cnc21 ZINC000274966699 512001858 /nfs/dbraw/zinc/00/18/58/512001858.db2.gz VDTNTFXDWPRVHJ-LBPRGKRZSA-N 0 0 354.410 2.784 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCC(F)(F)C1 ZINC000281891544 512002039 /nfs/dbraw/zinc/00/20/39/512002039.db2.gz DOPAJXHCTSFULJ-OAHLLOKOSA-N 0 0 353.413 2.758 20 10 FFCDRN CCOc1cccc(CN[C@H](C(=O)OC)c2ccc3c(c2)CCO3)c1O ZINC000275101117 512041663 /nfs/dbraw/zinc/04/16/63/512041663.db2.gz CJAMVVCDMZYKEF-SFHVURJKSA-N 0 0 357.406 2.730 20 10 FFCDRN COC(=O)[C@@H](NCc1cc(OC)c(OC)cc1O)c1ccc(F)c(C)c1 ZINC000275166271 512061710 /nfs/dbraw/zinc/06/17/10/512061710.db2.gz VSEMLYYNTLNQPE-SFHVURJKSA-N 0 0 363.385 2.861 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc([C@@H]2COCCO2)n1C ZINC000282111241 512078509 /nfs/dbraw/zinc/07/85/09/512078509.db2.gz CYFLXSFZVBWDRW-SFHVURJKSA-N 0 0 371.485 2.530 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCN2Cc2ccccn2)cc1 ZINC000369614269 512513286 /nfs/dbraw/zinc/51/32/86/512513286.db2.gz WTJYHXCYWJTIHH-HXUWFJFHSA-N 0 0 352.482 2.771 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000367680468 512613135 /nfs/dbraw/zinc/61/31/35/512613135.db2.gz AJLFQXZEOUZIAB-UONOGXRCSA-N 0 0 350.415 2.948 20 10 FFCDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000376555968 512871829 /nfs/dbraw/zinc/87/18/29/512871829.db2.gz KOYNCTRVXKEYMJ-HNNXBMFYSA-N 0 0 370.405 2.658 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000471232192 514806431 /nfs/dbraw/zinc/80/64/31/514806431.db2.gz TVSMIWWAYMRGQL-CYBMUJFWSA-N 0 0 353.388 2.987 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cn1ncc2ccccc2c1=O ZINC000471230191 514807477 /nfs/dbraw/zinc/80/74/77/514807477.db2.gz MHVXPNOBIGMFPE-UHFFFAOYSA-N 0 0 360.417 2.513 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cnn(-c2ncccn2)c1 ZINC000467936846 515171351 /nfs/dbraw/zinc/17/13/51/515171351.db2.gz ZTOBAYXJJAXIEC-UHFFFAOYSA-N 0 0 361.409 2.784 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@@H](NC(=O)C(C)C)C1 ZINC000472220357 515174110 /nfs/dbraw/zinc/17/41/10/515174110.db2.gz JINOGTRRDPPQOR-MRXNPFEDSA-N 0 0 370.497 2.933 20 10 FFCDRN Cc1noc(C2CC2)c1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472811567 515407165 /nfs/dbraw/zinc/40/71/65/515407165.db2.gz QSVVKRFWXMHIGV-UHFFFAOYSA-N 0 0 366.421 2.915 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1c[nH]c(C(=O)N2CCCC2)c1 ZINC000473273587 515560139 /nfs/dbraw/zinc/56/01/39/515560139.db2.gz RIYJCYMSDSEXPK-UHFFFAOYSA-N 0 0 364.449 2.981 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H]1CCCc2occc21 ZINC000550901766 516474089 /nfs/dbraw/zinc/47/40/89/516474089.db2.gz AUSHDPHYQIJMAT-MRXNPFEDSA-N 0 0 365.433 2.890 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)n1[C@H]1CCOC1 ZINC000528997394 516851661 /nfs/dbraw/zinc/85/16/61/516851661.db2.gz VIZIRQZTZFLOPM-WBMJQRKESA-N 0 0 358.438 2.839 20 10 FFCDRN CCO[C@H](CCNC(=O)C(=O)NCc1c(C)c2ccccc2n1C)C(C)C ZINC000572033783 519409830 /nfs/dbraw/zinc/40/98/30/519409830.db2.gz GTMXXKUUOQKJLL-LJQANCHMSA-N 0 0 373.497 2.670 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C(=O)OC(C)(C)C)CCC1 ZINC000597319676 519954733 /nfs/dbraw/zinc/95/47/33/519954733.db2.gz OLLMFRFTBADHHZ-UHFFFAOYSA-N 0 0 360.454 2.990 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H](COC)OC)ccc21 ZINC000617234996 520389110 /nfs/dbraw/zinc/38/91/10/520389110.db2.gz UULSNNRGCIQXQM-KRWDZBQOSA-N 0 0 362.470 2.686 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(C(F)(F)F)CCOCC1 ZINC000611652373 521266892 /nfs/dbraw/zinc/26/68/92/521266892.db2.gz XOGDTYBIMRPHPW-UHFFFAOYSA-N 0 0 358.360 2.837 20 10 FFCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)nn1C1CCOCC1 ZINC000625915819 521781826 /nfs/dbraw/zinc/78/18/26/521781826.db2.gz BBCAZGWERDPRPW-UHFFFAOYSA-N 0 0 370.453 2.648 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1nnc(-c2ccccc2)o1 ZINC000631561822 523693620 /nfs/dbraw/zinc/69/36/20/523693620.db2.gz KNUUAIRZBPOKCF-UHFFFAOYSA-N 0 0 364.405 2.771 20 10 FFCDRN CCOc1ccc(N(C)CCOc2ccc(-c3nn[nH]n3)cc2OC)cc1 ZINC000736644143 598989945 /nfs/dbraw/zinc/98/99/45/598989945.db2.gz FKWCYQYMFXYGSU-UHFFFAOYSA-N 0 0 369.425 2.789 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821220893 607305278 /nfs/dbraw/zinc/30/52/78/607305278.db2.gz FJLXOUDWYXPGNT-UHFFFAOYSA-N 0 0 367.413 2.867 20 10 FFCDRN COc1ccc(N2CCN(c3cccc(Cl)c3-c3nn[nH]n3)CC2)cc1 ZINC000737098966 598493363 /nfs/dbraw/zinc/49/33/63/598493363.db2.gz ITSGTTWOJUDYFP-UHFFFAOYSA-N 0 0 370.844 2.855 20 10 FFCDRN Cc1cc(C(=O)Nc2ccccn2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737237591 598610994 /nfs/dbraw/zinc/61/09/94/598610994.db2.gz AIADKSVIQYBTBX-UHFFFAOYSA-N 0 0 359.393 2.922 20 10 FFCDRN CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000736344400 599704818 /nfs/dbraw/zinc/70/48/18/599704818.db2.gz BLMYQNUPJWHCLO-HNNXBMFYSA-N 0 0 370.449 2.980 20 10 FFCDRN O=C([O-])C[N@@H+](CCC(=O)Nc1ccccc1)Cc1cc(Cl)ccc1O ZINC000739784462 600144664 /nfs/dbraw/zinc/14/46/64/600144664.db2.gz CWIVGLUSRROMCE-UHFFFAOYSA-N 0 0 362.813 2.961 20 10 FFCDRN O=C([O-])C[N@@H+](CC[S@@](=O)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000739793607 600315947 /nfs/dbraw/zinc/31/59/47/600315947.db2.gz IDZRFTGKCLLQBB-XMMPIXPASA-N 0 0 367.854 2.740 20 10 FFCDRN CC(C)C(=O)N1CCC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000736344818 600422343 /nfs/dbraw/zinc/42/23/43/600422343.db2.gz HFCHISTWIHLRRQ-UHFFFAOYSA-N 0 0 370.449 2.934 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCC[C@@H](C3OCCO3)C2)c1O ZINC000740099478 600427069 /nfs/dbraw/zinc/42/70/69/600427069.db2.gz ZHMJZVIKKXFLEU-CQSZACIVSA-N 0 0 357.406 2.829 20 10 FFCDRN C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825490748 604291850 /nfs/dbraw/zinc/29/18/50/604291850.db2.gz PGTKAGKFFJMONN-HUUCEWRRSA-N 0 0 365.449 2.703 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)[O-])c1ccccc1F ZINC000833695603 605041639 /nfs/dbraw/zinc/04/16/39/605041639.db2.gz TUTZRKRSLXJNNF-IBGZPJMESA-N 0 0 358.413 2.920 20 10 FFCDRN CCN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825367004 607796194 /nfs/dbraw/zinc/79/61/94/607796194.db2.gz HWUYCBFLEOFROU-FMIVXFBMSA-N 0 0 371.404 2.876 20 10 FFCDRN CN(C(=O)C=Cc1ccc(Cl)nc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000825812257 608003826 /nfs/dbraw/zinc/00/38/26/608003826.db2.gz JJXQYRPWDFUIHE-CLTKARDFSA-N 0 0 358.764 2.730 20 10 FFCDRN Cc1ccc(-c2nn[nH]n2)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000826278787 609479367 /nfs/dbraw/zinc/47/93/67/609479367.db2.gz SVRIRCCAWCELEX-UHFFFAOYSA-N 0 0 350.426 2.624 20 10 FFCDRN Cc1cccc([C@H](O)CNC(=O)NCCCSc2nccs2)c1 ZINC000154482455 728805168 /nfs/dbraw/zinc/80/51/68/728805168.db2.gz BIUWSADUWIVLCB-CQSZACIVSA-N 0 0 351.497 2.967 20 10 FFCDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)NCCc1ccc(O)c(O)c1 ZINC000158040840 728881264 /nfs/dbraw/zinc/88/12/64/728881264.db2.gz ZKCJRJFVZVPDIV-UHFFFAOYSA-N 0 0 350.758 2.561 20 10 FFCDRN COc1ccc(Br)c(C(=O)NCc2ccc(O)c(O)c2)c1 ZINC000158880086 728896214 /nfs/dbraw/zinc/89/62/14/728896214.db2.gz JLZYDNKZSDHWQD-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000161179084 728929799 /nfs/dbraw/zinc/92/97/99/728929799.db2.gz GENMZDOIORIXAS-MRVPVSSYSA-N 0 0 361.341 2.858 20 10 FFCDRN C[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898587966 735387762 /nfs/dbraw/zinc/38/77/62/735387762.db2.gz UHPBFAVYLVPWRQ-YCINEILWSA-N 0 0 353.465 2.732 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CC[S@](=O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000746010004 735457984 /nfs/dbraw/zinc/45/79/84/735457984.db2.gz XAOYAAJDZORVDK-PSLXWICFSA-N 0 0 350.871 2.998 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C\c2cccc3c2OCC3)SC1=S ZINC000899260534 735467607 /nfs/dbraw/zinc/46/76/07/735467607.db2.gz JYYVNERJVRGZPB-JLHYYAGUSA-N 0 0 363.460 2.776 20 10 FFCDRN CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc(O)c(O)c1 ZINC000028850739 727887762 /nfs/dbraw/zinc/88/77/62/727887762.db2.gz UOMPWDRLESXVMZ-UHFFFAOYSA-N 0 0 356.403 2.803 20 10 FFCDRN CC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000041374398 727939550 /nfs/dbraw/zinc/93/95/50/727939550.db2.gz AQWRHILVAKIAMD-UHFFFAOYSA-N 0 0 360.435 2.527 20 10 FFCDRN O=C(CSc1nccs1)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000054958830 728092830 /nfs/dbraw/zinc/09/28/30/728092830.db2.gz STBLRGGAJNAGQK-UHFFFAOYSA-N 0 0 364.420 2.870 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3ccc(F)cc3)C2)cc1 ZINC000062575140 728133046 /nfs/dbraw/zinc/13/30/46/728133046.db2.gz CQXNKRJIXFXLJL-AWEZNQCLSA-N 0 0 364.442 2.639 20 10 FFCDRN C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCCCSc1nccs1 ZINC000074136195 728232052 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COc1ccc(OC)c(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115592832 728566519 /nfs/dbraw/zinc/56/65/19/728566519.db2.gz ZETMTRDTKUROBV-UHFFFAOYSA-N 0 0 364.467 2.557 20 10 FFCDRN C[C@@H]1Cc2cc(S(=O)(=O)NCCCSc3nccs3)ccc2O1 ZINC000117365215 728578135 /nfs/dbraw/zinc/57/81/35/728578135.db2.gz YXSSZAKMEUBMDV-LLVKDONJSA-N 0 0 370.521 2.927 20 10 FFCDRN C[C@H](Oc1cccnc1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000117759077 728579307 /nfs/dbraw/zinc/57/93/07/728579307.db2.gz KVBIWGJIVIHFSV-HNNXBMFYSA-N 0 0 357.479 2.719 20 10 FFCDRN Cc1cc(C(=O)Nc2nn3cnnc3s2)c(C)n1-c1ccc(F)cc1 ZINC000747210647 735543678 /nfs/dbraw/zinc/54/36/78/735543678.db2.gz UJICDSJQANEOGV-UHFFFAOYSA-N 0 0 356.386 2.985 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc(Cl)n1 ZINC000125849937 728688577 /nfs/dbraw/zinc/68/85/77/728688577.db2.gz JZNFYCVPMHGHCD-UHFFFAOYSA-N 0 0 363.820 2.949 20 10 FFCDRN CS(=O)(=O)N1CCC[C@H](CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000131168285 728721698 /nfs/dbraw/zinc/72/16/98/728721698.db2.gz 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FFCDRN CS(=O)(=O)c1ccc(OCCCCC(=O)Nc2ccc(N)cc2)cc1 ZINC000237439043 729560706 /nfs/dbraw/zinc/56/07/06/729560706.db2.gz RFXLBEFCZPCMPX-UHFFFAOYSA-N 0 0 362.451 2.860 20 10 FFCDRN C[C@H]1CN(Cc2csc(NC(=O)Cc3ccc(N)cc3)n2)C[C@H](C)O1 ZINC000237642327 729562639 /nfs/dbraw/zinc/56/26/39/729562639.db2.gz KDRZXBPXSUXHRK-STQMWFEESA-N 0 0 360.483 2.516 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000302084863 729732160 /nfs/dbraw/zinc/73/21/60/729732160.db2.gz APGAATBHFZMZGP-GXTWGEPZSA-N 0 0 354.422 2.818 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2C)cc1 ZINC000321212705 729752169 /nfs/dbraw/zinc/75/21/69/729752169.db2.gz IXNLQUXFMPNSRQ-UHFFFAOYSA-N 0 0 354.453 2.557 20 10 FFCDRN CC[C@@H]1C(=O)N(CC)CCN1Cc1cc(Br)cc(OC)c1O ZINC000779214658 738443913 /nfs/dbraw/zinc/44/39/13/738443913.db2.gz CYRJYHTYRBDZBS-CYBMUJFWSA-N 0 0 371.275 2.606 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C/c2c(Cl)oc3ccccc32)SC1=S ZINC000761181920 736704340 /nfs/dbraw/zinc/70/43/40/736704340.db2.gz 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CSC[C@H](C)C(=O)N1CCC(C(=O)NCc2cc(C)ccc2O)CC1 ZINC000862756389 730723758 /nfs/dbraw/zinc/72/37/58/730723758.db2.gz WZSCQPAKQVRZOK-AWEZNQCLSA-N 0 0 364.511 2.555 20 10 FFCDRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(C)ccc1O ZINC000862759559 730724010 /nfs/dbraw/zinc/72/40/10/730724010.db2.gz HLERMDZCOPQEPU-CQSZACIVSA-N 0 0 368.499 2.963 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000863316791 730767901 /nfs/dbraw/zinc/76/79/01/730767901.db2.gz GVJZGBXDFFIGNG-UHFFFAOYSA-N 0 0 372.899 2.558 20 10 FFCDRN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@@H]1C(=O)OC(C)(C)C ZINC000863939226 730816850 /nfs/dbraw/zinc/81/68/50/730816850.db2.gz ZCGNRXDYDLUGHT-MNOVXSKESA-N 0 0 353.390 2.677 20 10 FFCDRN O=C(CC1CSC1)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000864916409 730891356 /nfs/dbraw/zinc/89/13/56/730891356.db2.gz XPPOIFWWAZVBKP-UHFFFAOYSA-N 0 0 374.428 2.911 20 10 FFCDRN COc1cc(Cl)c(/C=C2/SC(N3CCOCC3)=NC2=O)cc1OC ZINC000865216848 730924810 /nfs/dbraw/zinc/92/48/10/730924810.db2.gz 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ZINC000868911852 731343924 /nfs/dbraw/zinc/34/39/24/731343924.db2.gz SJEHDNGGQXJOQW-LXPNIQKUSA-N 0 0 357.237 2.922 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1nn(C)cc1C(F)F ZINC000869110823 731364729 /nfs/dbraw/zinc/36/47/29/731364729.db2.gz QWGICWISGPJQID-UHFFFAOYSA-N 0 0 351.401 2.732 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Cc3ccc(O)c(Cl)c3)C2)cc1 ZINC000869229384 731377162 /nfs/dbraw/zinc/37/71/62/731377162.db2.gz VTORDLLJUIQNNS-AWEZNQCLSA-N 0 0 360.841 2.992 20 10 FFCDRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871197986 731605400 /nfs/dbraw/zinc/60/54/00/731605400.db2.gz CHSMMDXLKGPMNO-AWEZNQCLSA-N 0 0 366.483 2.881 20 10 FFCDRN O=C([C@H]1CCN(c2ccc(Cl)cc2)C1=O)N1Cc2cccc(O)c2C1 ZINC000871201141 731605733 /nfs/dbraw/zinc/60/57/33/731605733.db2.gz PSZOAAXZMQLUHG-OAHLLOKOSA-N 0 0 356.809 2.941 20 10 FFCDRN COCC(C)(C)CCNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000873120207 731877121 /nfs/dbraw/zinc/87/71/21/731877121.db2.gz UZMLZTRWRYQCNJ-UHFFFAOYSA-N 0 0 351.491 2.836 20 10 FFCDRN CCOC1CC2(C[C@H]2NC(=O)NCc2cccc(Br)c2O)C1 ZINC000873275793 731896626 /nfs/dbraw/zinc/89/66/26/731896626.db2.gz JTUDBCONMFMKIG-RYCVTPFZSA-N 0 0 369.259 2.912 20 10 FFCDRN C[C@@H](NC(=O)NC[C@@H]1CC(C(F)(F)F)=NO1)c1ccc(N(C)C)cc1 ZINC000875507258 732162763 /nfs/dbraw/zinc/16/27/63/732162763.db2.gz CIRUPTAGLOPBEU-MFKMUULPSA-N 0 0 358.364 2.820 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000780944185 738590025 /nfs/dbraw/zinc/59/00/25/738590025.db2.gz SLCJLARYPDKLJS-GFCCVEGCSA-N 0 0 350.415 2.536 20 10 FFCDRN COc1cc([C@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])ccc1OCCO ZINC000876967115 732304363 /nfs/dbraw/zinc/30/43/63/732304363.db2.gz CMWRZAPCYPMBDE-NSHDSACASA-N 0 0 353.365 2.901 20 10 FFCDRN COC(=O)COc1ccc(C[N@H+](C)Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877409142 732358702 /nfs/dbraw/zinc/35/87/02/732358702.db2.gz YNZVVYAQYORTPC-UHFFFAOYSA-N 0 0 351.349 2.854 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000877693494 732414931 /nfs/dbraw/zinc/41/49/31/732414931.db2.gz INEBRRUBKMXDRH-VHSXEESVSA-N 0 0 354.166 2.757 20 10 FFCDRN C[C@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000877729338 732420536 /nfs/dbraw/zinc/42/05/36/732420536.db2.gz POOLSFJBZVPIAS-LLVKDONJSA-N 0 0 355.406 2.967 20 10 FFCDRN CCN(CC)c1ccc(CN2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)cc1 ZINC000877814909 732439043 /nfs/dbraw/zinc/43/90/43/732439043.db2.gz IBGRMWMQJJETQC-KDURUIRLSA-N 0 0 350.528 2.789 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)NC[C@]12CCC[C@H]1OCC2 ZINC000926419649 738613799 /nfs/dbraw/zinc/61/37/99/738613799.db2.gz BVRCBMCJVAHRBI-GDBMZVCRSA-N 0 0 369.259 2.913 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2nn(C)cc2Br)c1 ZINC000879961475 732809723 /nfs/dbraw/zinc/80/97/23/732809723.db2.gz BFIHQFTUTMCIMK-MRVPVSSYSA-N 0 0 369.219 2.780 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CC[C@@H]2CC2(Cl)Cl)c1 ZINC000881919129 733136061 /nfs/dbraw/zinc/13/60/61/733136061.db2.gz JZPCRGYDHHLNRD-NXEZZACHSA-N 0 0 368.282 2.965 20 10 FFCDRN C[C@@H](NS(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccccc1O ZINC000882502167 733235303 /nfs/dbraw/zinc/23/53/03/733235303.db2.gz JNWDJLFKLVHNJJ-IPQOISQHSA-N 0 0 360.501 2.718 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883263079 733356918 /nfs/dbraw/zinc/35/69/18/733356918.db2.gz GFLPAAFHSKAEBR-UKRRQHHQSA-N 0 0 350.415 2.927 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)c1 ZINC000886520591 733800015 /nfs/dbraw/zinc/80/00/15/733800015.db2.gz ICVTVZLYRPUORD-NEPJUHHUSA-N 0 0 352.431 2.851 20 10 FFCDRN C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1c([O-])cccc1F ZINC000886552973 733801551 /nfs/dbraw/zinc/80/15/51/733801551.db2.gz AARUFILZINENNN-NSHDSACASA-N 0 0 358.460 2.564 20 10 FFCDRN COC1(c2nc(-c3cn(-c4ccc(N)cc4)nn3)cs2)CCOCC1 ZINC000887339724 733912025 /nfs/dbraw/zinc/91/20/25/733912025.db2.gz YDKWOOHKMFTBFT-UHFFFAOYSA-N 0 0 357.439 2.625 20 10 FFCDRN Cc1nc2ccnn2c(C)c1CCC(=O)NCc1cccc(Cl)c1O ZINC000890757277 734336273 /nfs/dbraw/zinc/33/62/73/734336273.db2.gz AYDHYDSBGHDWRQ-UHFFFAOYSA-N 0 0 358.829 2.954 20 10 FFCDRN CCN(CC)C(=O)N1CCC(C(=O)NCc2cccc(Cl)c2O)CC1 ZINC000890757552 734336459 /nfs/dbraw/zinc/33/64/59/734336459.db2.gz HRXQVSHMPHDSOO-UHFFFAOYSA-N 0 0 367.877 2.836 20 10 FFCDRN O=C(CSc1nnnn1C1CCCC1)NCc1cccc(Cl)c1O ZINC000890758267 734336899 /nfs/dbraw/zinc/33/68/99/734336899.db2.gz UIFUASULLQFNFR-UHFFFAOYSA-N 0 0 367.862 2.556 20 10 FFCDRN CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000724875242 734387301 /nfs/dbraw/zinc/38/73/01/734387301.db2.gz IEYCFXLPBIOURZ-VXGBXAGGSA-N 0 0 350.640 2.702 20 10 FFCDRN Cc1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)cc(C)c1OC(F)F ZINC000727176278 734470291 /nfs/dbraw/zinc/47/02/91/734470291.db2.gz OTXOQSVSORZFIV-BJMVGYQFSA-N 0 0 372.418 2.591 20 10 FFCDRN CCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000727985720 734510540 /nfs/dbraw/zinc/51/05/40/734510540.db2.gz IAHQMPFSRNYOQX-KRWDZBQOSA-N 0 0 363.527 2.803 20 10 FFCDRN COc1ccc(CNc2ccccc2SCCC(N)=O)c(O)c1OC ZINC000892364812 734550947 /nfs/dbraw/zinc/55/09/47/734550947.db2.gz JSCGLMFVGUYXLX-UHFFFAOYSA-N 0 0 362.451 2.989 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCc3scnc3C)CC2)cc1 ZINC000729233205 734567122 /nfs/dbraw/zinc/56/71/22/734567122.db2.gz YKONQXVNAPBUGK-UHFFFAOYSA-N 0 0 360.483 2.928 20 10 FFCDRN O=C(Cc1ccccc1OC(F)F)OCC(=O)c1ccc(O)c(O)c1 ZINC000783722337 738829090 /nfs/dbraw/zinc/82/90/90/738829090.db2.gz GRIWZKVGIKZCCT-UHFFFAOYSA-N 0 0 352.289 2.668 20 10 FFCDRN COc1cccc(CNC(=O)CSc2ccc3c(c2)OCCO3)c1O ZINC000729861505 734599916 /nfs/dbraw/zinc/59/99/16/734599916.db2.gz PYKIJCZJEOSNBZ-UHFFFAOYSA-N 0 0 361.419 2.581 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=S)NCCCC(=O)OC)cc1 ZINC000730596026 734642433 /nfs/dbraw/zinc/64/24/33/734642433.db2.gz GPHNJHFLZPAMBN-UHFFFAOYSA-N 0 0 351.516 2.792 20 10 FFCDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1cccc(Cl)c1O ZINC000893244910 734674114 /nfs/dbraw/zinc/67/41/14/734674114.db2.gz CLCGKUGBJXDOER-JTQLQIEISA-N 0 0 350.850 2.826 20 10 FFCDRN O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000731870440 734702001 /nfs/dbraw/zinc/70/20/01/734702001.db2.gz HJDVGRHAQYQRJF-SNVBAGLBSA-N 0 0 365.842 2.993 20 10 FFCDRN CCOC(=O)c1[nH]c(C)c(C(=O)COC(=O)C2=CC(=O)CS2)c1C ZINC000731909852 734704980 /nfs/dbraw/zinc/70/49/80/734704980.db2.gz LSFVLWDESMIBKC-UHFFFAOYSA-N 0 0 351.380 2.615 20 10 FFCDRN CCC[C@@H](NC(=O)C1=CC(=O)CS1)C(=O)N1CCc2sccc2C1 ZINC000732283866 734730509 /nfs/dbraw/zinc/73/05/09/734730509.db2.gz DGIITWDQUNSFGJ-CYBMUJFWSA-N 0 0 364.492 2.999 20 10 FFCDRN CC(C)OCc1ccccc1CNC(=O)COC(=O)C1=CC(=O)CS1 ZINC000732353929 734736941 /nfs/dbraw/zinc/73/69/41/734736941.db2.gz WZWGPEZUFMKXIW-UHFFFAOYSA-N 0 0 363.435 2.852 20 10 FFCDRN Cc1cc(C(=O)N(C)[C@@H](C)CS(C)(=O)=O)c(C)n1-c1ccccc1C ZINC000732662650 734755452 /nfs/dbraw/zinc/75/54/52/734755452.db2.gz JTCXSBFPOLECJT-HNNXBMFYSA-N 0 0 362.495 2.908 20 10 FFCDRN CC(C)[C@H]([NH2+]Cc1cccc(Br)c1[O-])C(=O)N1CCCC1 ZINC000733800478 734849498 /nfs/dbraw/zinc/84/94/98/734849498.db2.gz VELYDSYBNYOIIH-AWEZNQCLSA-N 0 0 355.276 2.891 20 10 FFCDRN Cc1ccc(-n2cc(C(=O)NCCCSc3nccs3)nn2)cc1 ZINC000733973997 734865006 /nfs/dbraw/zinc/86/50/06/734865006.db2.gz CQVADQCVGQSPSK-UHFFFAOYSA-N 0 0 359.480 2.944 20 10 FFCDRN CC(=O)N(c1nc(COC(=O)c2ccc(C)c(O)c2O)cs1)C1CC1 ZINC000734190301 734881665 /nfs/dbraw/zinc/88/16/65/734881665.db2.gz SDUIYNBJIXXHQD-UHFFFAOYSA-N 0 0 362.407 2.735 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1ccc(F)c(F)c1F ZINC000734502255 734900221 /nfs/dbraw/zinc/90/02/21/734900221.db2.gz LMQAZIAYKCXYBM-UHFFFAOYSA-N 0 0 358.385 2.957 20 10 FFCDRN Fc1cc(CNC(=S)NC(C2CC2)C2CC2)ccc1N1CCOCC1 ZINC000734755903 734912649 /nfs/dbraw/zinc/91/26/49/734912649.db2.gz CBIHGJYZJVOSLX-UHFFFAOYSA-N 0 0 363.502 2.815 20 10 FFCDRN CCSc1cccc(NC(=O)C(=O)NCc2cccc(OC)c2O)c1 ZINC000737278204 735005787 /nfs/dbraw/zinc/00/57/87/735005787.db2.gz GBKVNWYMVKXJBC-UHFFFAOYSA-N 0 0 360.435 2.768 20 10 FFCDRN COC(=O)[C@@H](CC1CCOCC1)NCc1ccc(Br)cc1O ZINC000895590583 735028244 /nfs/dbraw/zinc/02/82/44/735028244.db2.gz HHQHAEUUCWKFTO-CQSZACIVSA-N 0 0 372.259 2.603 20 10 FFCDRN CCCC(=O)NC1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000895731542 735049636 /nfs/dbraw/zinc/04/96/36/735049636.db2.gz JIRFXOGSHQYEAA-UHFFFAOYSA-N 0 0 362.451 2.833 20 10 FFCDRN COc1ccc(N2CCN(Cc3cn4ccnc4s3)CC2)c(OC)c1 ZINC000895818225 735059414 /nfs/dbraw/zinc/05/94/14/735059414.db2.gz VMHLUPRFKBPFJU-UHFFFAOYSA-N 0 0 358.467 2.735 20 10 FFCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000784286026 738875725 /nfs/dbraw/zinc/87/57/25/738875725.db2.gz IDEFHHHKUJQHHX-LHJMJDNXSA-N 0 0 362.403 2.819 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H](n1cccn1)C(F)(F)F ZINC000895954196 735079658 /nfs/dbraw/zinc/07/96/58/735079658.db2.gz KARIGYGFAQVNPV-NSHDSACASA-N 0 0 362.739 2.845 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)CSCC(=O)OC(C)(C)C)c1 ZINC000741282757 735130556 /nfs/dbraw/zinc/13/05/56/735130556.db2.gz LPMMAIKMJXMVGM-NSHDSACASA-N 0 0 355.456 2.653 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)NCc2cscc2Cl)cc1F ZINC000897581085 735251688 /nfs/dbraw/zinc/25/16/88/735251688.db2.gz FUSCHUNKOKRNFJ-UHFFFAOYSA-N 0 0 369.849 2.539 20 10 FFCDRN COc1cccc(CNC(=S)Nc2ccc3c(c2)OC(F)(F)O3)n1 ZINC000748044992 735611377 /nfs/dbraw/zinc/61/13/77/735611377.db2.gz STQXDZLFPMTTQD-UHFFFAOYSA-N 0 0 353.350 2.898 20 10 FFCDRN Cc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000900753452 735688851 /nfs/dbraw/zinc/68/88/51/735688851.db2.gz ACTAMNAQGZNMFP-UHFFFAOYSA-N 0 0 362.861 2.510 20 10 FFCDRN COc1ccc(N(CCN2CCCS2(=O)=O)Cc2cccs2)cc1 ZINC000749164575 735699261 /nfs/dbraw/zinc/69/92/61/735699261.db2.gz DMXJIKDIQIHJEX-UHFFFAOYSA-N 0 0 366.508 2.799 20 10 FFCDRN COCc1ccccc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000749730848 735742713 /nfs/dbraw/zinc/74/27/13/735742713.db2.gz XBORVHCLSNHTTK-UHFFFAOYSA-N 0 0 365.480 2.527 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN(C)CC(=O)NCc2ccccc2)c1O ZINC000750047221 735768109 /nfs/dbraw/zinc/76/81/09/735768109.db2.gz KHWDCHDWGBWFQQ-UHFFFAOYSA-N 0 0 360.841 2.996 20 10 FFCDRN CC(=O)c1cc(F)cc(CN(C)CC(=O)N(C)C2CCCCC2)c1O ZINC000750817676 735817172 /nfs/dbraw/zinc/81/71/72/735817172.db2.gz SKJFCXSHDVVIGV-UHFFFAOYSA-N 0 0 350.434 2.957 20 10 FFCDRN O=S(=O)(NCc1ccccc1O)c1cc(Br)ccc1F ZINC000751149043 735849175 /nfs/dbraw/zinc/84/91/75/735849175.db2.gz KFBOURSKUMQBKN-UHFFFAOYSA-N 0 0 360.204 2.772 20 10 FFCDRN O=S(=O)(NCc1ccccc1O)c1ccc(OCC(F)(F)F)cc1 ZINC000751150780 735849419 /nfs/dbraw/zinc/84/94/19/735849419.db2.gz LDMORQNLCKKAOE-UHFFFAOYSA-N 0 0 361.341 2.812 20 10 FFCDRN CC(C)(C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2O)cc1 ZINC000751151131 735849661 /nfs/dbraw/zinc/84/96/61/735849661.db2.gz RLKKTWMJACYGJM-UHFFFAOYSA-N 0 0 362.451 2.855 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c1 ZINC000751415174 735871728 /nfs/dbraw/zinc/87/17/28/735871728.db2.gz LYJKXQBTPIQMJC-UHFFFAOYSA-N 0 0 363.435 2.718 20 10 FFCDRN CC[C@@H]1CN(C(C)=O)[C@H](CC)CN1Cc1cc(F)cc(C(C)=O)c1O ZINC000752094603 735956942 /nfs/dbraw/zinc/95/69/42/735956942.db2.gz RPWHTULXRYDWBB-IAGOWNOFSA-N 0 0 350.434 2.955 20 10 FFCDRN CO[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCSCC3)cc2)C1(C)C ZINC000753347157 736058227 /nfs/dbraw/zinc/05/82/27/736058227.db2.gz BUQBPSPNPXRUAN-IRXDYDNUSA-N 0 0 363.527 2.853 20 10 FFCDRN CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000903234623 736063272 /nfs/dbraw/zinc/06/32/72/736063272.db2.gz PBNFNMIKFCSYFB-LLVKDONJSA-N 0 0 370.421 2.819 20 10 FFCDRN CCC[C@H](C)CS(=O)(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000754039691 736118264 /nfs/dbraw/zinc/11/82/64/736118264.db2.gz CJPSQMMLWSNRCE-AWEZNQCLSA-N 0 0 358.479 2.722 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](C)S(C)(=O)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000754233828 736138506 /nfs/dbraw/zinc/13/85/06/736138506.db2.gz APLICQOEOZEAOP-HNNXBMFYSA-N 0 0 362.495 2.874 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2ccc(F)c(C(F)(F)F)c2)SC1=S ZINC000755379941 736252069 /nfs/dbraw/zinc/25/20/69/736252069.db2.gz MRHYARSSJFBURI-RUDMXATFSA-N 0 0 364.345 2.531 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756384953 736326794 /nfs/dbraw/zinc/32/67/94/736326794.db2.gz QGNKYIHINHZTIZ-LLVKDONJSA-N 0 0 365.411 2.523 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCN2CCc3sccc3C2)c1 ZINC000756445757 736331770 /nfs/dbraw/zinc/33/17/70/736331770.db2.gz PNQAIGLPQOUABX-ZDUSSCGKSA-N 0 0 360.479 2.949 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(F)cc(F)c1[O-] ZINC000756449785 736332300 /nfs/dbraw/zinc/33/23/00/736332300.db2.gz NQWAGBMZUXPBFL-NSHDSACASA-N 0 0 370.421 2.772 20 10 FFCDRN C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1cc(F)cc(F)c1[O-] ZINC000756455985 736332719 /nfs/dbraw/zinc/33/27/19/736332719.db2.gz LMPFRFREHKGXBL-PXAZEXFGSA-N 0 0 358.454 2.529 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756536720 736339737 /nfs/dbraw/zinc/33/97/37/736339737.db2.gz SZNZRMSZQAGPIL-WDEREUQCSA-N 0 0 370.421 2.990 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1cc(Br)c(F)cc1[O-] ZINC000756550033 736341873 /nfs/dbraw/zinc/34/18/73/736341873.db2.gz PVQZATMOOOGPKG-SDDRHHMPSA-N 0 0 373.266 2.808 20 10 FFCDRN CCS(=O)(=O)C[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756706831 736353830 /nfs/dbraw/zinc/35/38/30/736353830.db2.gz QWMRHYNNFSFONC-DTWKUNHWSA-N 0 0 368.268 2.768 20 10 FFCDRN COCCOC[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756732915 736356376 /nfs/dbraw/zinc/35/63/76/736356376.db2.gz KUXCHQWAIVGJKX-ZJUUUORDSA-N 0 0 350.228 2.996 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(F)cc(F)c1[O-] ZINC000756763053 736360051 /nfs/dbraw/zinc/36/00/51/736360051.db2.gz XROKEBNZSQDBKE-PRHODGIISA-N 0 0 352.303 2.874 20 10 FFCDRN COc1cccc(CNC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)c1O ZINC000757260772 736399406 /nfs/dbraw/zinc/39/94/06/736399406.db2.gz HYOGNRRANGNKMN-UHFFFAOYSA-N 0 0 365.773 2.962 20 10 FFCDRN Cc1nnc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)s1 ZINC000758335318 736476646 /nfs/dbraw/zinc/47/66/46/736476646.db2.gz MKKCPTKOJVNCPZ-INIZCTEOSA-N 0 0 360.483 2.734 20 10 FFCDRN CS(=O)(=O)c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000758523548 736497169 /nfs/dbraw/zinc/49/71/69/736497169.db2.gz WNIJYLMPJUJALT-UHFFFAOYSA-N 0 0 370.814 2.647 20 10 FFCDRN O=C(COC(=O)c1cccc(O)c1O)c1ccccc1Br ZINC000758563313 736501825 /nfs/dbraw/zinc/50/18/25/736501825.db2.gz VOOQYHFOKBODCK-UHFFFAOYSA-N 0 0 351.152 2.900 20 10 FFCDRN CN(Cc1cccc(C(N)=O)c1)C(=O)NCCCSc1nccs1 ZINC000759601081 736580047 /nfs/dbraw/zinc/58/00/47/736580047.db2.gz FIWPZBOWXYADLE-UHFFFAOYSA-N 0 0 364.496 2.566 20 10 FFCDRN COC(=O)[C@H](CC(C)C)NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759915606 736603390 /nfs/dbraw/zinc/60/33/90/736603390.db2.gz QAHBPSBZTCBHRY-KRWDZBQOSA-N 0 0 350.459 2.614 20 10 FFCDRN COc1cccc(C(F)(F)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000907273100 736604894 /nfs/dbraw/zinc/60/48/94/736604894.db2.gz LEBYFCOLHQFIAX-NSHDSACASA-N 0 0 351.349 2.946 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCCCSc2nccs2)[C@]12CCCO2 ZINC000760127904 736616770 /nfs/dbraw/zinc/61/67/70/736616770.db2.gz GACZIRXIGFVOHT-WOSRLPQWSA-N 0 0 371.528 2.651 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCOc2ncccc2Cl)c1 ZINC000760834924 736672715 /nfs/dbraw/zinc/67/27/15/736672715.db2.gz URGYLNSUGGLYIF-NSHDSACASA-N 0 0 365.817 2.888 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCOC1CCCC1 ZINC000761130713 736698594 /nfs/dbraw/zinc/69/85/94/736698594.db2.gz QGMZIEZWOHEZMI-UHFFFAOYSA-N 0 0 352.818 2.769 20 10 FFCDRN CC(C)CCOCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761130319 736698622 /nfs/dbraw/zinc/69/86/22/736698622.db2.gz YOSUMPVFVUNKFS-UHFFFAOYSA-N 0 0 354.834 2.873 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(-c2nc(-c3cc(F)cc(F)c3)no2)c1 ZINC000761594265 736747289 /nfs/dbraw/zinc/74/72/89/736747289.db2.gz NPIQXSFKJSSUHV-UHFFFAOYSA-N 0 0 367.333 2.759 20 10 FFCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000761610361 736748321 /nfs/dbraw/zinc/74/83/21/736748321.db2.gz YGLXUIOOKXUTRM-DLBZAZTESA-N 0 0 360.479 2.863 20 10 FFCDRN Cc1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)nc1 ZINC000761786397 736761555 /nfs/dbraw/zinc/76/15/55/736761555.db2.gz ONSPGDFMSDVDFT-ZSOIEALJSA-N 0 0 355.444 2.895 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)c1 ZINC000761971648 736778039 /nfs/dbraw/zinc/77/80/39/736778039.db2.gz ADZKYCCNMBGNRL-FZMZJTMJSA-N 0 0 366.483 2.526 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCSC3)cc2F)C[C@H](C)O1 ZINC000761987434 736779577 /nfs/dbraw/zinc/77/95/77/736779577.db2.gz RFROVMAMWSVWQL-GUTXKFCHSA-N 0 0 352.475 2.809 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CC[S@@](=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000762232266 736805402 /nfs/dbraw/zinc/80/54/02/736805402.db2.gz HJDYCOFQTCNSAU-QKFKETGDSA-N 0 0 350.871 2.998 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1sc(N2CCCC2)nc1Cl ZINC000762274162 736809913 /nfs/dbraw/zinc/80/99/13/736809913.db2.gz HGDFPMNSTNCUHP-UHFFFAOYSA-N 0 0 367.858 2.780 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)c1 ZINC000763017357 736891825 /nfs/dbraw/zinc/89/18/25/736891825.db2.gz AVRCNHKOFGVFHG-VHDGCEQUSA-N 0 0 354.497 2.580 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCC(F)(F)C1 ZINC000763704280 736961366 /nfs/dbraw/zinc/96/13/66/736961366.db2.gz BMIBSDWWMNKSOK-OAHLLOKOSA-N 0 0 353.413 2.852 20 10 FFCDRN Cn1cc(/C=C\C(=O)N2CCc3cc(Br)cc(F)c32)cn1 ZINC000763909933 736977947 /nfs/dbraw/zinc/97/79/47/736977947.db2.gz SPRUWGVCPUKOJH-IHWYPQMZSA-N 0 0 350.191 2.924 20 10 FFCDRN Cn1cc(/C=C/C(=O)N2CCc3cc(Br)cc(F)c32)cn1 ZINC000763909937 736977957 /nfs/dbraw/zinc/97/79/57/736977957.db2.gz SPRUWGVCPUKOJH-NSCUHMNNSA-N 0 0 350.191 2.924 20 10 FFCDRN COc1nc2ccccc2cc1/C=C1\SC(N2CCOCC2)=NC1=O ZINC000764107880 736993048 /nfs/dbraw/zinc/99/30/48/736993048.db2.gz VJQSRYLTQFLNBO-PTNGSMBKSA-N 0 0 355.419 2.546 20 10 FFCDRN O=C(NCc1cccc(O)c1)NCc1cccc(Br)c1O ZINC000764791657 737050130 /nfs/dbraw/zinc/05/01/30/737050130.db2.gz PFJZFZAWDCZLSL-UHFFFAOYSA-N 0 0 351.200 2.860 20 10 FFCDRN COC(=O)c1nc(N2CCN(c3ccc(OC)c(F)c3)CC2)sc1C ZINC000764854147 737056895 /nfs/dbraw/zinc/05/68/95/737056895.db2.gz NHUZAWNMJLGWHF-UHFFFAOYSA-N 0 0 365.430 2.712 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1sccc1Br ZINC000764916071 737062602 /nfs/dbraw/zinc/06/26/02/737062602.db2.gz WACOKNNPYNJGPB-JXMROGBWSA-N 0 0 359.270 2.813 20 10 FFCDRN C[C@@H](c1ccsc1)N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000764952679 737066950 /nfs/dbraw/zinc/06/69/50/737066950.db2.gz BLNDUKPXSBMFHT-SCLBCKFNSA-N 0 0 360.479 2.758 20 10 FFCDRN O=S1(=O)CCN(c2ccc(CNc3ncc(Cl)s3)cc2)CC1 ZINC000765019881 737072630 /nfs/dbraw/zinc/07/26/30/737072630.db2.gz MDFJSLMPFJWNRD-UHFFFAOYSA-N 0 0 357.888 2.643 20 10 FFCDRN O=Cc1cccc(OCC(=O)NCc2cccc(Br)c2O)c1 ZINC000765729657 737149995 /nfs/dbraw/zinc/14/99/95/737149995.db2.gz RKGNAHSJOXHMMG-UHFFFAOYSA-N 0 0 364.195 2.662 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000765730516 737150182 /nfs/dbraw/zinc/15/01/82/737150182.db2.gz CIRGMZQWZHHLAK-UHFFFAOYSA-N 0 0 362.183 2.667 20 10 FFCDRN COC(=O)CC(C)(C)CC(=O)NCc1cccc(Br)c1O ZINC000765747116 737153186 /nfs/dbraw/zinc/15/31/86/737153186.db2.gz MCMBSTJNWRQRNZ-UHFFFAOYSA-N 0 0 358.232 2.750 20 10 FFCDRN Cc1cccn2cc(CC(=O)NCc3cccc(Br)c3O)nc12 ZINC000765753042 737154300 /nfs/dbraw/zinc/15/43/00/737154300.db2.gz NEXTUIVLPCNQOD-UHFFFAOYSA-N 0 0 374.238 2.970 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cccnc1-n1cccn1 ZINC000765763596 737155138 /nfs/dbraw/zinc/15/51/38/737155138.db2.gz FEPQZZJXCHUXNN-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN COc1ccc2c(c1)CCCCN2S(=O)(=O)c1cccc2nonc21 ZINC000765762825 737155237 /nfs/dbraw/zinc/15/52/37/737155237.db2.gz MHIUDHLNZOVCQD-UHFFFAOYSA-N 0 0 359.407 2.763 20 10 FFCDRN CCn1cc(NC(=S)NCc2cccc(Br)c2O)cn1 ZINC000765992865 737181373 /nfs/dbraw/zinc/18/13/73/737181373.db2.gz PYRSHRKAMHAGEH-UHFFFAOYSA-N 0 0 355.261 2.858 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2cccc(Br)c2O)c(C)o1 ZINC000766199338 737206537 /nfs/dbraw/zinc/20/65/37/737206537.db2.gz COSOHMYLLFLLFU-UHFFFAOYSA-N 0 0 360.229 2.843 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(-n2cnnc2)cc1 ZINC000804739576 740901904 /nfs/dbraw/zinc/90/19/04/740901904.db2.gz KERRMIWOCXKSES-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN CCC[C@@H]1CN(Cc2cc(F)cc(C(C)=O)c2O)CCN1CCOC ZINC000766970003 737280596 /nfs/dbraw/zinc/28/05/96/737280596.db2.gz YUJKALBKZHJNEP-QGZVFWFLSA-N 0 0 352.450 2.667 20 10 FFCDRN O=C(NCc1ccccc1O)[C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000767088161 737291050 /nfs/dbraw/zinc/29/10/50/737291050.db2.gz JMLGDWSPONASQL-LBPRGKRZSA-N 0 0 362.788 2.854 20 10 FFCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000912488314 737311484 /nfs/dbraw/zinc/31/14/84/737311484.db2.gz JMYATTYPQINVQU-RYWCDNDXSA-N 0 0 358.360 2.596 20 10 FFCDRN CC(C)Oc1ncc(C(=O)NCCc2ccc(O)c(O)c2)cc1Cl ZINC000768903757 737475339 /nfs/dbraw/zinc/47/53/39/737475339.db2.gz JDGCYAWKFJJVKP-UHFFFAOYSA-N 0 0 350.802 2.906 20 10 FFCDRN CC[S@@](=O)c1ccccc1C(=O)N1CC[S@@](=O)C(CC)(CC)C1 ZINC000769459070 737531998 /nfs/dbraw/zinc/53/19/98/737531998.db2.gz OHLJVBKBHGAUCY-DHIUTWEWSA-N 0 0 355.525 2.577 20 10 FFCDRN C[S@@](=O)CCN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1 ZINC000769481532 737534021 /nfs/dbraw/zinc/53/40/21/737534021.db2.gz VQYJTGPMEJNDBU-RUZDIDTESA-N 0 0 358.507 2.555 20 10 FFCDRN O=C(Cn1ccc(C(F)(F)F)n1)NCc1c(O)ccc2c1CCCC2 ZINC000769558268 737541902 /nfs/dbraw/zinc/54/19/02/737541902.db2.gz DNANYLSYSRPTIK-UHFFFAOYSA-N 0 0 353.344 2.803 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccsc1 ZINC000769558705 737542094 /nfs/dbraw/zinc/54/20/94/737542094.db2.gz HIZVAKOSLYTMKC-UHFFFAOYSA-N 0 0 359.495 2.981 20 10 FFCDRN COc1ccc(Cl)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000769587695 737543319 /nfs/dbraw/zinc/54/33/19/737543319.db2.gz XZMKJAJEROYKEK-UHFFFAOYSA-N 0 0 370.814 2.678 20 10 FFCDRN COc1ccc(Cl)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000769724954 737558415 /nfs/dbraw/zinc/55/84/15/737558415.db2.gz CIWBTYRSOJBMLZ-UHFFFAOYSA-N 0 0 370.814 2.678 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)c1[O-] ZINC000769802163 737568392 /nfs/dbraw/zinc/56/83/92/737568392.db2.gz SFBMUYYMWXAOHN-MSOLQXFVSA-N 0 0 366.889 2.981 20 10 FFCDRN O=C(CCNC(=O)c1ccsc1)NCc1ccc(N2CCCC2)cc1 ZINC000915083979 737606441 /nfs/dbraw/zinc/60/64/41/737606441.db2.gz SVNXGVBPWDBBRK-UHFFFAOYSA-N 0 0 357.479 2.785 20 10 FFCDRN Cn1ccnc1[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000770741481 737659227 /nfs/dbraw/zinc/65/92/27/737659227.db2.gz VXOAUXOLLQDWOZ-ZDUSSCGKSA-N 0 0 365.528 2.948 20 10 FFCDRN Cc1cc(CC(=O)NC[C@H]2COCCO2)c(C)n1-c1ccc(Cl)cc1 ZINC000917812841 737777795 /nfs/dbraw/zinc/77/77/95/737777795.db2.gz LMCBWLCLKGQKIF-SFHVURJKSA-N 0 0 362.857 2.822 20 10 FFCDRN C/C(=C\C(C)(C)C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000772276074 737799185 /nfs/dbraw/zinc/79/91/85/737799185.db2.gz LPPCEQHJIFYJGM-FYWRMAATSA-N 0 0 364.511 2.530 20 10 FFCDRN C[C@@H](NC(=O)c1cccc(CS(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000773020526 737863872 /nfs/dbraw/zinc/86/38/72/737863872.db2.gz OXIWQSZTSQVSKK-CQSZACIVSA-N 0 0 360.479 2.788 20 10 FFCDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])s1)c1ccc(N(C)C)cc1 ZINC000773085524 737869562 /nfs/dbraw/zinc/86/95/62/737869562.db2.gz XGFJPXAXEXSCQH-JTQLQIEISA-N 0 0 355.441 2.762 20 10 FFCDRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1c(F)cccc1F ZINC000919812224 737878429 /nfs/dbraw/zinc/87/84/29/737878429.db2.gz RKTRNUOYPZWYPO-VIFPVBQESA-N 0 0 370.377 2.533 20 10 FFCDRN C[C@@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)cc1 ZINC000920635656 737918486 /nfs/dbraw/zinc/91/84/86/737918486.db2.gz JMCMKSFSDSBZLI-SNVBAGLBSA-N 0 0 353.371 2.821 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cnc1Cl ZINC000773860316 737939998 /nfs/dbraw/zinc/93/99/98/737939998.db2.gz YAJSADBPOFOJCH-LBPRGKRZSA-N 0 0 360.845 2.925 20 10 FFCDRN CC1(C)O[C@@H]2C[C@@H](NC(=O)NCCCSc3nccs3)C[C@@H]2O1 ZINC000921447753 737985923 /nfs/dbraw/zinc/98/59/23/737985923.db2.gz RPOOZKAEMSWRIO-CNDDSTCGSA-N 0 0 357.501 2.607 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)NCCC(C)C ZINC000774492109 737994168 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O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@@H](C2CC2)C1 ZINC000776854792 738239020 /nfs/dbraw/zinc/23/90/20/738239020.db2.gz ACLBWCCXPGVYRO-GOSISDBHSA-N 0 0 361.511 2.560 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccccc1OC ZINC000777829378 738324052 /nfs/dbraw/zinc/32/40/52/738324052.db2.gz VEKRDXDAGPYEKG-UHFFFAOYSA-N 0 0 363.797 2.870 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000778004176 738341211 /nfs/dbraw/zinc/34/12/11/738341211.db2.gz CAYACBVRLLNWMT-UHFFFAOYSA-N 0 0 363.222 2.581 20 10 FFCDRN COCc1ccccc1S(=O)(=O)N[C@H](C)c1cc(OC)ccc1O ZINC000778626756 738399274 /nfs/dbraw/zinc/39/92/74/738399274.db2.gz KJTQQZPELYGSNB-GFCCVEGCSA-N 0 0 351.424 2.587 20 10 FFCDRN COCc1ccccc1S(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000778626759 738399798 /nfs/dbraw/zinc/39/97/98/738399798.db2.gz KJTQQZPELYGSNB-LBPRGKRZSA-N 0 0 351.424 2.587 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2ccc(Cl)c(F)c2)c1 ZINC000785668497 738986973 /nfs/dbraw/zinc/98/69/73/738986973.db2.gz BCXMEBSZJKDLEJ-UHFFFAOYSA-N 0 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C[C@@H](NCc1cc2c(cc1O)OCO2)c1ncc(Br)cn1 ZINC000814302018 741810684 /nfs/dbraw/zinc/81/06/84/741810684.db2.gz MXCNMNDYHASNKE-MRVPVSSYSA-N 0 0 352.188 2.524 20 10 FFCDRN O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)NCc1ccccc1O ZINC000815016024 741882780 /nfs/dbraw/zinc/88/27/80/741882780.db2.gz VUHFRLNPOFLQKU-UHFFFAOYSA-N 0 0 360.750 2.571 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)Cc2ccc(C(F)F)cc2)c1 ZINC000815017498 741883022 /nfs/dbraw/zinc/88/30/22/741883022.db2.gz MSCWQUWEDBUPNG-UHFFFAOYSA-N 0 0 357.378 2.958 20 10 FFCDRN CNC(=O)[C@H](CCSC)[NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-] ZINC000815626855 741948905 /nfs/dbraw/zinc/94/89/05/741948905.db2.gz NRHACHXKCGBKSZ-CABZTGNLSA-N 0 0 350.406 2.929 20 10 FFCDRN COc1cccc(CNC(=O)c2sc([C@@H]3CCCOC3)nc2C)c1O ZINC000815834551 741964466 /nfs/dbraw/zinc/96/44/66/741964466.db2.gz NSPGQYSVSOAHBR-CYBMUJFWSA-N 0 0 362.451 2.990 20 10 FFCDRN CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816547092 742040498 /nfs/dbraw/zinc/04/04/98/742040498.db2.gz 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/nfs/dbraw/zinc/44/00/50/742440050.db2.gz OTIUBLRZUYUGPM-MRXNPFEDSA-N 0 0 352.500 2.631 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)c3cccc(F)c3)C2)cc1 ZINC000819891056 742440566 /nfs/dbraw/zinc/44/05/66/742440566.db2.gz XHEKEVSGGKDBBR-CQSZACIVSA-N 0 0 364.442 2.639 20 10 FFCDRN CON1CCC(CC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000822554267 742750952 /nfs/dbraw/zinc/75/09/52/742750952.db2.gz UFUWFAAUAUIPMY-UHFFFAOYSA-N 0 0 363.527 2.520 20 10 FFCDRN CCC[C@H](OC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000822612558 742759045 /nfs/dbraw/zinc/75/90/45/742759045.db2.gz BCHMJVRUMMMFTK-IYOUNJFTSA-N 0 0 352.450 2.871 20 10 FFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCS1 ZINC000823537427 742932700 /nfs/dbraw/zinc/93/27/00/742932700.db2.gz NFUOCHWWXSJUIY-OAHLLOKOSA-N 0 0 363.527 2.685 20 10 FFCDRN CCN(CC)C(=O)N1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824556371 743104407 /nfs/dbraw/zinc/10/44/07/743104407.db2.gz QLOXEPFEOIAPDP-UHFFFAOYSA-N 0 0 370.291 2.734 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H](CC(C)C)CN2CCCC2)ccc1[N+](=O)[O-] ZINC000824559436 743104873 /nfs/dbraw/zinc/10/48/73/743104873.db2.gz UGBMGTSCOUDVGL-HNNXBMFYSA-N 0 0 351.447 2.909 20 10 FFCDRN O=C(N1C[C@H]2CC[N@@H+](Cc3cccc(Cl)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000824829763 743158400 /nfs/dbraw/zinc/15/84/00/743158400.db2.gz QYBZNGHIDHHIIL-ZYHUDNBSSA-N 0 0 362.779 2.888 20 10 FFCDRN CCOC(=O)[C@@H](NCc1ccc(Br)cc1O)[C@@H]1CCCOC1 ZINC000825671341 743309251 /nfs/dbraw/zinc/30/92/51/743309251.db2.gz IIPGYRNMXNEPRK-DOMZBBRYSA-N 0 0 372.259 2.603 20 10 FFCDRN CCc1ccc(CN2CCN(C(=O)c3c(F)ccc(O)c3O)CC2)s1 ZINC000825968756 743350265 /nfs/dbraw/zinc/35/02/65/743350265.db2.gz CKXDUOMNCKAWLQ-UHFFFAOYSA-N 0 0 364.442 2.819 20 10 FFCDRN Cc1cc(O)c(CN(C)Cc2ccccc2S(N)(=O)=O)cc1Cl ZINC000826002664 743354084 /nfs/dbraw/zinc/35/40/84/743354084.db2.gz AJSPBJUTAXYTFU-UHFFFAOYSA-N 0 0 354.859 2.633 20 10 FFCDRN CS(=O)(=O)[C@@H]1CN(Cc2ccc3ccccc3c2O)C[C@H]1C(F)(F)F ZINC000826894232 743464954 /nfs/dbraw/zinc/46/49/54/743464954.db2.gz LPSNASHXCUKOSL-HUUCEWRRSA-N 0 0 373.396 2.953 20 10 FFCDRN CO[C@H](CS(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000826927591 743471778 /nfs/dbraw/zinc/47/17/78/743471778.db2.gz IUDGAIJVPVGGIJ-LJQANCHMSA-N 0 0 366.527 2.864 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)C[C@@H](OC)C(C)C)cc1 ZINC000826951914 743477050 /nfs/dbraw/zinc/47/70/50/743477050.db2.gz QTGHRCYFCUWNRD-GOSISDBHSA-N 0 0 356.532 2.965 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)C[C@H](OC)C(C)C)cc1 ZINC000826951916 743477181 /nfs/dbraw/zinc/47/71/81/743477181.db2.gz QTGHRCYFCUWNRD-SFHVURJKSA-N 0 0 356.532 2.965 20 10 FFCDRN O=S(=O)(CCC[C@H]1CCOC1)NCc1ccc(N2CCCC2)cc1 ZINC000826984594 743483447 /nfs/dbraw/zinc/48/34/47/743483447.db2.gz KEYDSHIQIQHIPX-KRWDZBQOSA-N 0 0 352.500 2.523 20 10 FFCDRN COCC1(CCNC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000827178168 743526763 /nfs/dbraw/zinc/52/67/63/743526763.db2.gz RPUTXWHBCLKRFG-UHFFFAOYSA-N 0 0 357.248 2.771 20 10 FFCDRN CC[N@H+](CCNC(=O)NC(C)C)Cc1cc(Br)ccc1O ZINC000827965046 745008546 /nfs/dbraw/zinc/00/85/46/745008546.db2.gz NVYSMCLYWAFJHD-UHFFFAOYSA-N 0 0 358.280 2.684 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCC[C@H](C2CCC2)C1 ZINC000828238199 745046599 /nfs/dbraw/zinc/04/65/99/745046599.db2.gz DXRWWHCTERFBPG-AWEZNQCLSA-N 0 0 367.540 2.780 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000828427578 745065910 /nfs/dbraw/zinc/06/59/10/745065910.db2.gz OEXIIOUPXMQPLV-GXFFZTMASA-N 0 0 357.248 2.864 20 10 FFCDRN C[C@H](NC(=O)c1cc(Br)n(C)n1)c1ccc(N(C)C)cc1 ZINC000828861023 745128852 /nfs/dbraw/zinc/12/88/52/745128852.db2.gz LMFRYCYPDOLQRH-JTQLQIEISA-N 0 0 351.248 2.740 20 10 FFCDRN COC(=O)c1cnc(SCCOc2ccccc2C(=O)OC)s1 ZINC000829681050 745243844 /nfs/dbraw/zinc/24/38/44/745243844.db2.gz MPCZJASALPFDOD-UHFFFAOYSA-N 0 0 353.421 2.887 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1ccc(=O)[nH]c1 ZINC000830151381 745315405 /nfs/dbraw/zinc/31/54/05/745315405.db2.gz WGDBNWITCNGDMJ-UHFFFAOYSA-N 0 0 365.227 2.847 20 10 FFCDRN CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000834880796 745918219 /nfs/dbraw/zinc/91/82/19/745918219.db2.gz QUQDFOQHYCWWMJ-IMSIIYSGSA-N 0 0 362.239 2.996 20 10 FFCDRN CCOc1ccc(CN2CCN(C(=O)c3cscn3)[C@@H](C)C2)c(O)c1 ZINC000835057860 745941397 /nfs/dbraw/zinc/94/13/97/745941397.db2.gz USJNZIZUKQUTFJ-ZDUSSCGKSA-N 0 0 361.467 2.594 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)c1 ZINC000835075462 745945630 /nfs/dbraw/zinc/94/56/30/745945630.db2.gz XWSDKKDKDNFSJM-GXTWGEPZSA-N 0 0 353.260 2.706 20 10 FFCDRN CCc1nc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)co1 ZINC000836241196 746172788 /nfs/dbraw/zinc/17/27/88/746172788.db2.gz DAIDXWALZSAYAQ-UHFFFAOYSA-N 0 0 360.483 2.790 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COCC3CCCC3)CC2)cc1F ZINC000836753614 746297352 /nfs/dbraw/zinc/29/73/52/746297352.db2.gz OSQMDCYAPSKMFN-UHFFFAOYSA-N 0 0 350.434 2.690 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2cccc(O)c2O)C1(C)C ZINC000837146919 746378175 /nfs/dbraw/zinc/37/81/75/746378175.db2.gz ISDCIDSDUGKJLP-ZDUSSCGKSA-N 0 0 350.415 2.616 20 10 FFCDRN CC1(C)CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC[S@@]1=O ZINC000837625990 746489081 /nfs/dbraw/zinc/48/90/81/746489081.db2.gz ZDLWJMKRFFFCBV-VWLOTQADSA-N 0 0 363.527 2.729 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccn(C)n1 ZINC000837651345 746492777 /nfs/dbraw/zinc/49/27/77/746492777.db2.gz KJSCPUZUURVART-AWEZNQCLSA-N 0 0 359.499 2.534 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CC1(Cl)Cl ZINC000837705389 746503088 /nfs/dbraw/zinc/50/30/88/746503088.db2.gz UHFPFJLJWKJIDE-JTQLQIEISA-N 0 0 365.207 2.611 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@@H](F)C3)cc2F)C[C@H](C)O1 ZINC000837712422 746504475 /nfs/dbraw/zinc/50/44/75/746504475.db2.gz CHGMMRVEASTWKU-KCQAQPDRSA-N 0 0 353.413 2.693 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[S@@](=O)C(C)(C)CC1 ZINC000838477336 746646928 /nfs/dbraw/zinc/64/69/28/746646928.db2.gz FZTBRYPTDCKKCJ-XMMPIXPASA-N 0 0 351.516 2.504 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000838512933 746655619 /nfs/dbraw/zinc/65/56/19/746655619.db2.gz BDAQYKKILXNEFG-UONOGXRCSA-N 0 0 355.529 2.722 20 10 FFCDRN C[C@H](NC(=O)N1CC[C@@H]([C@H](O)C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000838559428 746665763 /nfs/dbraw/zinc/66/57/63/746665763.db2.gz MJFTYGNBTOULDI-LNSITVRQSA-N 0 0 359.392 2.768 20 10 FFCDRN CC1(C)CCCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838746408 746705541 /nfs/dbraw/zinc/70/55/41/746705541.db2.gz IFPWTRDGUMQJFO-UHFFFAOYSA-N 0 0 353.413 2.885 20 10 FFCDRN COC1CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000838755799 746707295 /nfs/dbraw/zinc/70/72/95/746707295.db2.gz GSLTXMSKSQTIHV-UHFFFAOYSA-N 0 0 357.248 2.912 20 10 FFCDRN CO[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)C12CCC2 ZINC000838766330 746709368 /nfs/dbraw/zinc/70/93/68/746709368.db2.gz PIAWGFRMXUDILY-KBPBESRZSA-N 0 0 369.259 2.912 20 10 FFCDRN Fc1cc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c(F)cn1 ZINC000839144631 746787412 /nfs/dbraw/zinc/78/74/12/746787412.db2.gz IQFLARXHVABXGA-UHFFFAOYSA-N 0 0 355.335 2.764 20 10 FFCDRN CC(C)(C[NH2+]Cc1cc(Cl)c(F)cc1[O-])[C@@H]1COCC12OCCO2 ZINC000839176236 746794039 /nfs/dbraw/zinc/79/40/39/746794039.db2.gz STMBBOBOMOLAOH-HNNXBMFYSA-N 0 0 359.825 2.690 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](O)[C@H](CO)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000839915777 746960027 /nfs/dbraw/zinc/96/00/27/746960027.db2.gz XDWIAWUSWXWYNA-KSSFIOAISA-N 0 0 362.857 2.563 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)CSc1nncs1 ZINC000839919449 746960735 /nfs/dbraw/zinc/96/07/35/746960735.db2.gz QUQZRUSXASZARR-LBPRGKRZSA-N 0 0 350.513 2.752 20 10 FFCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1 ZINC000840134113 747014845 /nfs/dbraw/zinc/01/48/45/747014845.db2.gz KOTPHLOJOVOSHN-LJQANCHMSA-N 0 0 367.511 2.796 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@@H](CO)CC(F)(F)F ZINC000840481484 747103906 /nfs/dbraw/zinc/10/39/06/747103906.db2.gz JGQZNPLELLPVOC-TZMCWYRMSA-N 0 0 361.408 2.605 20 10 FFCDRN CCN1CC(=O)N[C@@H]1c1ccc(N2CCCCC2)c(Br)c1 ZINC000840817320 747191878 /nfs/dbraw/zinc/19/18/78/747191878.db2.gz FCVYSOVNQLLCPG-INIZCTEOSA-N 0 0 352.276 2.890 20 10 FFCDRN CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000840826666 747193952 /nfs/dbraw/zinc/19/39/52/747193952.db2.gz RNQYOAKYZZKTSO-VSYUYLJXSA-N 0 0 350.640 2.873 20 10 FFCDRN Cc1cc(O)c(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)c(Cl)c1 ZINC000840914623 747223337 /nfs/dbraw/zinc/22/33/37/747223337.db2.gz FLTSXVPTQNVOSU-GFCCVEGCSA-N 0 0 350.768 2.949 20 10 FFCDRN C[C@H](NC(=O)C1SCCCS1)c1ccc(N2CCOCC2)cc1 ZINC000841079448 747264994 /nfs/dbraw/zinc/26/49/94/747264994.db2.gz IDLXRKWESRTQRM-ZDUSSCGKSA-N 0 0 352.525 2.897 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3nc4c(s3)CCC4)CC2)cc1F ZINC000841401946 747338459 /nfs/dbraw/zinc/33/84/59/747338459.db2.gz QOBZVMQYNQZEJR-UHFFFAOYSA-N 0 0 361.442 2.742 20 10 FFCDRN C[C@@H](CNC(=O)NCCc1ccc(N)cc1)N1CCc2sccc2C1 ZINC000841710179 747438443 /nfs/dbraw/zinc/43/84/43/747438443.db2.gz UIVIAEUXXJWICB-AWEZNQCLSA-N 0 0 358.511 2.619 20 10 FFCDRN CCOc1ccc(O)c(CNc2ccc(F)c(S(=O)(=O)N(C)C)c2)c1 ZINC000842216999 747550024 /nfs/dbraw/zinc/55/00/24/747550024.db2.gz HTYLIWBHVOVZPZ-UHFFFAOYSA-N 0 0 368.430 2.792 20 10 FFCDRN Cc1ncsc1CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842253492 747557510 /nfs/dbraw/zinc/55/75/10/747557510.db2.gz MTNPKYSPMKKUMD-UHFFFAOYSA-N 0 0 365.842 2.817 20 10 FFCDRN CO[C@@H](CC(C)C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842264229 747560186 /nfs/dbraw/zinc/56/01/86/747560186.db2.gz GIXDFGPUBMXVFL-AWEZNQCLSA-N 0 0 354.834 2.871 20 10 FFCDRN CC(C)n1ncc2cc(S(=O)(=O)NCCc3ccc(N)cc3)ccc21 ZINC000842823005 747698625 /nfs/dbraw/zinc/69/86/25/747698625.db2.gz NIAIQDDCSUUBNF-UHFFFAOYSA-N 0 0 358.467 2.720 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CC[C@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000843039192 747753717 /nfs/dbraw/zinc/75/37/17/747753717.db2.gz BOSBYUZUKRSTOP-CABZTGNLSA-N 0 0 358.232 2.706 20 10 FFCDRN COCC1(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000843312041 747810415 /nfs/dbraw/zinc/81/04/15/747810415.db2.gz SSVPNHRYCXVIPS-UHFFFAOYSA-N 0 0 352.818 2.627 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cn2cc(Br)cn2)cc1 ZINC000844725842 748084396 /nfs/dbraw/zinc/08/43/96/748084396.db2.gz PIQOFDUVPXFHLT-UHFFFAOYSA-N 0 0 353.264 2.680 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)CSCC(F)(F)F)cc1 ZINC000844855421 748117787 /nfs/dbraw/zinc/11/77/87/748117787.db2.gz VQGYUERKQPVBQI-UHFFFAOYSA-N 0 0 350.406 2.885 20 10 FFCDRN CCOC[C@@H](NC(=O)N(C)CCN(C)c1ccc(OC)cc1)C(C)C ZINC000845143518 748189513 /nfs/dbraw/zinc/18/95/13/748189513.db2.gz GVXJFZKDXRAEJV-GOSISDBHSA-N 0 0 351.491 2.834 20 10 FFCDRN CC(C)(C)OC(=O)NC/C=C/CNC(=O)NCc1cc(Cl)ccc1O ZINC000845202637 748204329 /nfs/dbraw/zinc/20/43/29/748204329.db2.gz YNPGDEALWUPPMQ-SNAWJCMRSA-N 0 0 369.849 2.926 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)c2ccccc2F)cc1 ZINC000845988112 748376156 /nfs/dbraw/zinc/37/61/56/748376156.db2.gz QPYNKQNPBADOJF-UHFFFAOYSA-N 0 0 352.431 2.591 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH+]1CCC(Cn2cnnc2)CC1 ZINC000846054626 748392772 /nfs/dbraw/zinc/39/27/72/748392772.db2.gz DBJZFMILZLPSGD-UHFFFAOYSA-N 0 0 351.248 2.658 20 10 FFCDRN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NCc1cc(Cl)ccc1O ZINC000846474134 748488391 /nfs/dbraw/zinc/48/83/91/748488391.db2.gz ZXGRCXQCIOJLHV-INIZCTEOSA-N 0 0 361.829 2.511 20 10 FFCDRN CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1cc(Cl)ccc1O ZINC000846477874 748489617 /nfs/dbraw/zinc/48/96/17/748489617.db2.gz WHRZURCQTLSGJT-UHFFFAOYSA-N 0 0 362.817 2.750 20 10 FFCDRN COCCS(=O)(=O)CCCN(C)c1ccc(-c2nccs2)cc1 ZINC000846990237 748593092 /nfs/dbraw/zinc/59/30/92/748593092.db2.gz CVCPLCPZXUGZOF-UHFFFAOYSA-N 0 0 354.497 2.698 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2CC2CCCC2)c1 ZINC000848356105 748912357 /nfs/dbraw/zinc/91/23/57/748912357.db2.gz SCOMUNMMZKGFFM-OAHLLOKOSA-N 0 0 366.483 2.949 20 10 FFCDRN Oc1ccc2cc(Br)ccc2c1CN1CCn2nncc2C1 ZINC000848491253 748940049 /nfs/dbraw/zinc/94/00/49/748940049.db2.gz QZZPFROIJOIJTE-UHFFFAOYSA-N 0 0 359.227 2.915 20 10 FFCDRN 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CCc1nc(C(=O)NCc2cc(OC)ccc2O)nn1-c1ccccc1F ZINC000743409977 999818652 /nfs/dbraw/zinc/81/86/52/999818652.db2.gz GYLVNCSTSAQDRR-UHFFFAOYSA-N 0 0 370.384 2.613 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cnn(-c2ccc(F)cc2)n1 ZINC000743718489 999830059 /nfs/dbraw/zinc/83/00/59/999830059.db2.gz DEFGSPHNIHZFFC-UHFFFAOYSA-N 0 0 366.396 2.921 20 10 FFCDRN CCCOC(=O)[C@@H](C)OC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000744473124 999858883 /nfs/dbraw/zinc/85/88/83/999858883.db2.gz ABPIWHUITSYRHO-GFCCVEGCSA-N 0 0 366.369 2.961 20 10 FFCDRN CC[C@H](C[C@@H](C)CO)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000745778783 999930625 /nfs/dbraw/zinc/93/06/25/999930625.db2.gz IHLYUSOOODYDGF-JFIYKMOQSA-N 0 0 363.502 2.681 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCC[C@@H](O)c3ccccc3)ccc21 ZINC000745787986 999931189 /nfs/dbraw/zinc/93/11/89/999931189.db2.gz DELBDTZGYQWERD-HXUWFJFHSA-N 0 0 353.466 2.992 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@H](C(F)(F)F)O1 ZINC000745838055 999933394 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CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnn(C(C)C)c1 ZINC000802609446 1020254334 /nfs/dbraw/zinc/25/43/34/1020254334.db2.gz CDOCVAZLUBZTAT-UHFFFAOYSA-N 0 0 358.442 2.937 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000800466298 1020335964 /nfs/dbraw/zinc/33/59/64/1020335964.db2.gz MLHMOROOYUZHOX-SFHVURJKSA-N 0 0 374.506 2.704 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C=O)cn2)cc1 ZINC000931202084 1020369515 /nfs/dbraw/zinc/36/95/15/1020369515.db2.gz CRJHMLAFZYMLJH-LJQANCHMSA-N 0 0 367.449 2.782 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc2[nH]c(CO)nc2c1 ZINC000900404479 1020404863 /nfs/dbraw/zinc/40/48/63/1020404863.db2.gz HSBAESOVDIYWFP-UHFFFAOYSA-N 0 0 364.449 2.976 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCN(Cc3ccco3)CC2)c([N+](=O)[O-])c1 ZINC000931397362 1020452968 /nfs/dbraw/zinc/45/29/68/1020452968.db2.gz NAMOQTQTMFUKCY-ALCCZGGFSA-N 0 0 371.393 2.696 20 10 FFCDRN CCCC(=O)N1CCC[C@@H]1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726562069 1020485190 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O=C1c2ccc(O[C@H]3C[NH2+]CCC[C@@H]3F)cc2C(=O)c2ccc([O-])cc21 ZINC001217982160 1032933326 /nfs/dbraw/zinc/93/33/26/1032933326.db2.gz SYUFZLDVMTVNOH-ROUUACIJSA-N 0 0 355.365 2.637 20 10 FFCDRN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CCC[NH2+]C[C@@H]2C)c1[O-] ZINC001217985109 1032933465 /nfs/dbraw/zinc/93/34/65/1032933465.db2.gz DLPTVSABWKYMCS-QWRGUYRKSA-N 0 0 371.455 2.574 20 10 FFCDRN COCCNC(=O)c1ccc(N(Cc2ccc(N(C)C)cc2)C2CC2)nc1 ZINC000749272782 1020911891 /nfs/dbraw/zinc/91/18/91/1020911891.db2.gz WWXXVEBJXUQQMH-UHFFFAOYSA-N 0 0 368.481 2.693 20 10 FFCDRN O=C1c2cccc(O[C@H]3CCNCC3(F)F)c2C(=O)c2cccc(O)c21 ZINC001218004766 1032945455 /nfs/dbraw/zinc/94/54/55/1032945455.db2.gz CAJYWTUWTUTKGA-AWEZNQCLSA-N 0 0 359.328 2.544 20 10 FFCDRN CN(C(=O)c1cccc2c1CCN2C(=O)OC(C)(C)C)c1cnn(C)c1 ZINC000933397690 1021005933 /nfs/dbraw/zinc/00/59/33/1021005933.db2.gz YIHLTZBRIXXYQT-UHFFFAOYSA-N 0 0 356.426 2.994 20 10 FFCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1cnn(C)c1 ZINC000749939614 1021148364 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CCOc1ccc(N2CCN(C(=O)CCC(=O)OC(C)(C)C)CC2)cc1 ZINC001343751220 1052401837 /nfs/dbraw/zinc/40/18/37/1052401837.db2.gz JLNQPMXMLOKVFL-UHFFFAOYSA-N 0 0 362.470 2.856 20 10 FFCDRN Cc1cc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(C)o1 ZINC001345483624 1052468225 /nfs/dbraw/zinc/46/82/25/1052468225.db2.gz KMSVXAHRGXCTHZ-HNNXBMFYSA-N 0 0 367.449 2.766 20 10 FFCDRN C[C@H](NS(=O)(=O)CC1CC(C)C1)c1ccc(N2CCOCC2)cc1 ZINC001309109267 1052557166 /nfs/dbraw/zinc/55/71/66/1052557166.db2.gz SYVRXANZIQYGMI-PCKAHOCUSA-N 0 0 352.500 2.550 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CC[C@@H](CF)C2)n1C[C@@H]1CCOC1 ZINC001345683554 1052573913 /nfs/dbraw/zinc/57/39/13/1052573913.db2.gz UOCTWROBCYSTJY-RYUDHWBXSA-N 0 0 352.435 2.545 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001345770685 1052607012 /nfs/dbraw/zinc/60/70/12/1052607012.db2.gz GVJYTJANSNFHJG-PHIMTYICSA-N 0 0 354.501 2.689 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@]1([C@H]2CCCCO2)CCCO1 ZINC001345942635 1052680857 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O=C(NCc1ccccc1O)N[C@@H]1C[C@]2(CCOC2)Oc2ccccc21 ZINC001346864519 1053389983 /nfs/dbraw/zinc/38/99/83/1053389983.db2.gz DGDLNQSGOXBFGN-UZLBHIALSA-N 0 0 354.406 2.874 20 10 FFCDRN CCOc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC001335571384 1053442418 /nfs/dbraw/zinc/44/24/18/1053442418.db2.gz AMMUPGPWJIRUGD-UHFFFAOYSA-N 0 0 374.872 2.894 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)cc1F ZINC001335812740 1053581578 /nfs/dbraw/zinc/58/15/78/1053581578.db2.gz ZELFXUDGMOZBDD-CQSZACIVSA-N 0 0 350.434 2.688 20 10 FFCDRN CN(Cc1nnc2n1CCC[C@@H]2C(F)(F)F)C(=O)C1=CC(=O)CS1 ZINC001347369569 1053902079 /nfs/dbraw/zinc/90/20/79/1053902079.db2.gz TUFGJGGHQVGWRX-VIFPVBQESA-N 0 0 360.361 2.757 20 10 FFCDRN COC(=O)c1ccccc1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001336390475 1053964391 /nfs/dbraw/zinc/96/43/91/1053964391.db2.gz XDGZWXIISKLPRA-UHFFFAOYSA-N 0 0 372.396 2.583 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2C[C@H]3CCC[C@@H]32)C2CC2)cc1 ZINC001336413980 1053978434 /nfs/dbraw/zinc/97/84/34/1053978434.db2.gz QRNLXIFIBJZKDX-AYOQOUSVSA-N 0 0 355.482 2.548 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ccc(C(C)C)nc1 ZINC001336560083 1054063463 /nfs/dbraw/zinc/06/34/63/1054063463.db2.gz QIZNFLVMDAWNKV-UHFFFAOYSA-N 0 0 354.454 2.834 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(C)(C)CC(F)(F)F ZINC001347533695 1054079823 /nfs/dbraw/zinc/07/98/23/1054079823.db2.gz GBEKYRCAVUWJBC-UHFFFAOYSA-N 0 0 373.419 2.772 20 10 FFCDRN Oc1cccc(Br)c1CNc1ccc(C2(O)COC2)cc1 ZINC001348270616 1054593156 /nfs/dbraw/zinc/59/31/56/1054593156.db2.gz KSQIGAXLPQLEAL-UHFFFAOYSA-N 0 0 350.212 2.985 20 10 FFCDRN COC(=O)/C=C\c1ccc(N(C)Cc2ccc(C(N)=O)cc2)c([N+](=O)[O-])c1 ZINC001337271594 1054613342 /nfs/dbraw/zinc/61/33/42/1054613342.db2.gz NEMZBZPGQCKFKH-POHAHGRESA-N 0 0 369.377 2.516 20 10 FFCDRN CN(C)c1cc(F)c(C[NH2+]CCN2C(=O)COc3ccccc32)cc1F ZINC001348084933 1054634035 /nfs/dbraw/zinc/63/40/35/1054634035.db2.gz CLJCYIUAYUWDBC-UHFFFAOYSA-N 0 0 361.392 2.546 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1nc(C(C)(C)C)cs1 ZINC001348594885 1054809703 /nfs/dbraw/zinc/80/97/03/1054809703.db2.gz GLTNGLVAMHNCBQ-LBPRGKRZSA-N 0 0 374.510 2.559 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H](CCCO)c3ccccc3)CC2)cc1 ZINC001351611241 1054919970 /nfs/dbraw/zinc/91/99/70/1054919970.db2.gz BXSVIVZLUYNALN-NRFANRHFSA-N 0 0 368.477 2.900 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@]3([C@@H]4CCCCO4)CCCO3)C2)cc1 ZINC001348817681 1054945271 /nfs/dbraw/zinc/94/52/71/1054945271.db2.gz OZGHHKYLFATWQS-LRQRDZAKSA-N 0 0 374.481 2.508 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc(F)c3F)CC2)c(OC)c1 ZINC001543632391 1071512521 /nfs/dbraw/zinc/51/25/21/1071512521.db2.gz LXBXBEWQKFKUOY-UHFFFAOYSA-N 0 0 362.376 2.944 20 10 FFCDRN Cc1ccc(/C=C/C(=O)N2CCCc3c2cccc3S(C)(=O)=O)cn1 ZINC001337735338 1054979049 /nfs/dbraw/zinc/97/90/49/1054979049.db2.gz NQXRJHWBPOIOTM-ZHACJKMWSA-N 0 0 356.447 2.786 20 10 FFCDRN C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)NCc3cc(Cl)cc(Cl)c3[O-])[C@@H]2C1 ZINC001351846236 1055029176 /nfs/dbraw/zinc/02/91/76/1055029176.db2.gz FDTQOIDIJAISHQ-MRCXROJRSA-N 0 0 358.269 2.838 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](CC)c1ccccc1 ZINC001337826495 1055041110 /nfs/dbraw/zinc/04/11/10/1055041110.db2.gz NEEQNIUHDRBHHE-SJORKVTESA-N 0 0 371.433 2.882 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C(F)(F)F)n(C)n1 ZINC001349378860 1055217340 /nfs/dbraw/zinc/21/73/40/1055217340.db2.gz IVFLCYIDRUAMFV-UHFFFAOYSA-N 0 0 354.332 2.544 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc(Cl)ccc2-n2cncn2)cc1 ZINC001352215756 1055281470 /nfs/dbraw/zinc/28/14/70/1055281470.db2.gz QHQZFEFZDQVQNR-UHFFFAOYSA-N 0 0 355.829 2.917 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)Cn4ncnc43)ccc21 ZINC001338234498 1055347339 /nfs/dbraw/zinc/34/73/39/1055347339.db2.gz YPBRXHBQTIHBDV-ZDUSSCGKSA-N 0 0 367.453 2.793 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)C1CCC(F)(F)CC1 ZINC000848930515 1055387519 /nfs/dbraw/zinc/38/75/19/1055387519.db2.gz USQLDCYRUNYFHU-ZDUSSCGKSA-N 0 0 367.440 2.699 20 10 FFCDRN CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001543802968 1071548876 /nfs/dbraw/zinc/54/88/76/1071548876.db2.gz FJEZCVPREGZEAF-LJQANCHMSA-N 0 0 366.458 2.696 20 10 FFCDRN CN(Cc1ccc2c(c1)OC(F)(F)O2)C(=O)Cc1ccc(O)c(O)c1 ZINC001300027992 1055490953 /nfs/dbraw/zinc/49/09/53/1055490953.db2.gz KXHNNGVJUJTXNA-UHFFFAOYSA-N 0 0 351.305 2.620 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNc3ccc4c(n3)CCC4=O)cc2)CC1 ZINC001350039991 1055592299 /nfs/dbraw/zinc/59/22/99/1055592299.db2.gz AXYNUTWMIQIHKI-UHFFFAOYSA-N 0 0 364.449 2.524 20 10 FFCDRN COc1ccc(CCNC(=O)NCc2ccc(N)cc2)c(Cl)c1OC ZINC001338609511 1055666510 /nfs/dbraw/zinc/66/65/10/1055666510.db2.gz IYUHRABAQTZXQX-UHFFFAOYSA-N 0 0 363.845 2.981 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCc2cc(Cl)ccc21 ZINC001352693558 1055718506 /nfs/dbraw/zinc/71/85/06/1055718506.db2.gz VSHLJUYTRXUUCZ-MRXNPFEDSA-N 0 0 358.825 2.808 20 10 FFCDRN Cc1cccc([C@@H](O)c2nnc(N(C)Cc3ccccc3O)n2C)c1C ZINC001338711171 1055750037 /nfs/dbraw/zinc/75/00/37/1055750037.db2.gz ASMASPJNFGTRAC-GOSISDBHSA-N 0 0 352.438 2.856 20 10 FFCDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)NCc2ccc(N)cc2)sc1C ZINC001338793422 1055822109 /nfs/dbraw/zinc/82/21/09/1055822109.db2.gz PHAUCIYRYRWZDO-AWEZNQCLSA-N 0 0 374.466 2.867 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H](NC(=O)OC(C)(C)C)[C@H]2C[C@H]21 ZINC001338903867 1055921922 /nfs/dbraw/zinc/92/19/22/1055921922.db2.gz WGVAWEXWOYRKLB-QXSJWSMHSA-N 0 0 360.454 2.900 20 10 FFCDRN Cc1nn(C(C)C)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000847508000 1055954161 /nfs/dbraw/zinc/95/41/61/1055954161.db2.gz TTWPBEOPWJJRJA-UHFFFAOYSA-N 0 0 370.497 2.911 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCC(C)(C)C3=CCOCC3)C2)cc1 ZINC001357777521 1056008595 /nfs/dbraw/zinc/00/85/95/1056008595.db2.gz JRUFPVJTYRMLSG-KRWDZBQOSA-N 0 0 373.497 2.946 20 10 FFCDRN CC(C)(C)n1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000847540051 1056012664 /nfs/dbraw/zinc/01/26/64/1056012664.db2.gz WXQOHTVORHQHGH-UHFFFAOYSA-N 0 0 374.460 2.668 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCC(NC(=O)NC3CCCCC3)CC2)cc1 ZINC001357791538 1056014304 /nfs/dbraw/zinc/01/43/04/1056014304.db2.gz NTQDGQJMUIPUBR-UHFFFAOYSA-N 0 0 373.501 2.575 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C(C)=C/c3cccnc3)CC2)cc1F ZINC000847557214 1056047444 /nfs/dbraw/zinc/04/74/44/1056047444.db2.gz QRJWFWSUDGLFJQ-NTCAYCPXSA-N 0 0 355.413 2.981 20 10 FFCDRN O=C(Cn1nnc2c1CCCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000847570379 1056070712 /nfs/dbraw/zinc/07/07/12/1056070712.db2.gz OKIRTAUBZDVWEW-UHFFFAOYSA-N 0 0 366.421 2.685 20 10 FFCDRN O=C(CCc1ccc2c(c1)OC(F)(F)O2)NCCc1ccc(O)c(O)c1 ZINC000847588840 1056112040 /nfs/dbraw/zinc/11/20/40/1056112040.db2.gz CLZCRKICXCMPJC-UHFFFAOYSA-N 0 0 365.332 2.711 20 10 FFCDRN COCCn1c(C2Sc3ncccc3C2=O)nnc1N(C)C1CCC1 ZINC001358141336 1056158504 /nfs/dbraw/zinc/15/85/04/1056158504.db2.gz BXNLDWQGIMLBQC-UHFFFAOYSA-N 0 0 359.455 2.896 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001351342301 1056210295 /nfs/dbraw/zinc/21/02/95/1056210295.db2.gz ISHPXRCGVSKASO-RTBURBONSA-N 0 0 368.481 2.808 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@H](C)NC(N)=O ZINC000847663250 1056304143 /nfs/dbraw/zinc/30/41/43/1056304143.db2.gz SKAPKZKQNVWVKY-LSDHHAIUSA-N 0 0 355.438 2.929 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC[C@@](C)(C(=O)OC)C1 ZINC001339368439 1056383001 /nfs/dbraw/zinc/38/30/01/1056383001.db2.gz ZFKGYCZXLJMVAL-MRXNPFEDSA-N 0 0 350.444 2.512 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)Nc3ccccn3)cc2)CC1 ZINC001339612012 1056637892 /nfs/dbraw/zinc/63/78/92/1056637892.db2.gz ZOKCXHQXDPDCRA-UHFFFAOYSA-N 0 0 352.438 2.573 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3cccc4ccoc43)C2)cc1 ZINC000849417569 1056849090 /nfs/dbraw/zinc/84/90/90/1056849090.db2.gz VIASUQHUKOLYHN-HNNXBMFYSA-N 0 0 372.446 2.999 20 10 FFCDRN CC[C@@H]1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)C1 ZINC001499569638 1058354437 /nfs/dbraw/zinc/35/44/37/1058354437.db2.gz YYYUVNCLQIFFQK-QGZVFWFLSA-N 0 0 355.486 2.708 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@]3(C(=O)OC(C)(C)C)C[C@H]3C)CC2)cc1 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20 10 FFCDRN CN(C)C(=O)c1cc(F)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001447381322 1058637591 /nfs/dbraw/zinc/63/75/91/1058637591.db2.gz HJALSQAZUOVJGP-UHFFFAOYSA-N 0 0 357.345 2.942 20 10 FFCDRN Oc1ccc([C@@H](O)CNC(=S)Nc2ccc(F)c(Cl)c2)cc1O ZINC001200576166 1058652556 /nfs/dbraw/zinc/65/25/56/1058652556.db2.gz QGNYQOJGSDAEFN-AWEZNQCLSA-N 0 0 356.806 2.910 20 10 FFCDRN CCN(Cc1cnn(C)c1)c1nnc(C)n1Cc1ccc(N(C)C)cc1C ZINC001502050407 1058755471 /nfs/dbraw/zinc/75/54/71/1058755471.db2.gz XMFTWXJJGBGAJW-UHFFFAOYSA-N 0 0 367.501 2.769 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)c2c([O-])cc(F)cc2F)[NH+](C)C)cc1 ZINC001472631040 1058919254 /nfs/dbraw/zinc/91/92/54/1058919254.db2.gz SOMYOCDPSSTFMQ-MRXNPFEDSA-N 0 0 363.408 2.769 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N(Cc2cccc(C(N)=O)c2)C2CC2)cc1 ZINC001449751341 1058938898 /nfs/dbraw/zinc/93/88/98/1058938898.db2.gz CVBUDADCTLATJS-UHFFFAOYSA-N 0 0 365.393 2.753 20 10 FFCDRN CN(C)c1ccc(Cn2c(C3CC3)nnc2N2CCCOCC2)cc1F ZINC001503392274 1059018372 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O=C(NCc1ccc(O)cc1O)c1cc(Br)cc([N+](=O)[O-])c1 ZINC001469159593 1064100455 /nfs/dbraw/zinc/10/04/55/1064100455.db2.gz KXKKDMBRCYUGLW-UHFFFAOYSA-N 0 0 367.155 2.699 20 10 FFCDRN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N(C)Cc1ccc(N3CCCC3)cc1)C2 ZINC001471104313 1064560215 /nfs/dbraw/zinc/56/02/15/1064560215.db2.gz XYQDFWVZFQXHRZ-WWMYMODYSA-N 0 0 371.481 2.770 20 10 FFCDRN CC(C)C[C@@H](C(=O)NCc1cccc(O)c1O)N(C)C(=O)OC(C)(C)C ZINC001471642226 1064742860 /nfs/dbraw/zinc/74/28/60/1064742860.db2.gz OHEGUWKCQQRVMK-AWEZNQCLSA-N 0 0 366.458 2.996 20 10 FFCDRN O=C(NCc1cccc(O)c1O)[C@@H]1COc2ccc(Br)cc21 ZINC001471642238 1064743888 /nfs/dbraw/zinc/74/38/88/1064743888.db2.gz OYUQLPKIFKZMRI-GFCCVEGCSA-N 0 0 364.195 2.653 20 10 FFCDRN CO[C@H]1CCCN(NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1 ZINC001471940446 1064861400 /nfs/dbraw/zinc/86/14/00/1064861400.db2.gz BEONQIMCTCJFPQ-FQEVSTJZSA-N 0 0 369.465 2.591 20 10 FFCDRN Cc1cc(C(=O)CN2C(=O)c3nccnc3C2=O)c(C)n1-c1ccccc1C ZINC001473031312 1065184950 /nfs/dbraw/zinc/18/49/50/1065184950.db2.gz RJVSFCWQFFSMLJ-UHFFFAOYSA-N 0 0 374.400 2.671 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001473344157 1065244899 /nfs/dbraw/zinc/24/48/99/1065244899.db2.gz IALZYBYZTUDAHU-GOSISDBHSA-N 0 0 355.413 2.896 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@]2(N(C)C)CCSC2)c1 ZINC001474034260 1065443543 /nfs/dbraw/zinc/44/35/43/1065443543.db2.gz PHQSAZFULFCFLX-OAHLLOKOSA-N 0 0 359.333 2.990 20 10 FFCDRN O=C(N[C@H]1CCOC1)OC[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001474510527 1065540971 /nfs/dbraw/zinc/54/09/71/1065540971.db2.gz KPXQGPYAZZUERB-KBPBESRZSA-N 0 0 370.396 2.540 20 10 FFCDRN CC1([NH2+]Cc2cc(Br)cc(Br)c2[O-])COC1 ZINC001474662064 1065574288 /nfs/dbraw/zinc/57/42/88/1065574288.db2.gz RNUGZXBBEGPRMO-UHFFFAOYSA-N 0 0 351.038 2.796 20 10 FFCDRN COc1cc2c(c(OC)c1)N(Cc1ccc(-c3nn[nH]n3)c(F)c1)CCC2 ZINC001579937325 1078721765 /nfs/dbraw/zinc/72/17/65/1078721765.db2.gz ISQGBIQRNBTDEG-UHFFFAOYSA-N 0 0 369.400 2.976 20 10 FFCDRN Cc1ncccc1C=CC(=O)N(C)c1cc(Cl)ccc1-c1nn[nH]n1 ZINC001581556856 1078978562 /nfs/dbraw/zinc/97/85/62/1078978562.db2.gz BMRXJXVOLIIUAV-VMPITWQZSA-N 0 0 354.801 2.900 20 10 FFCDRN COC(=O)c1ccc(/C=C/C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC001583628362 1079242671 /nfs/dbraw/zinc/24/26/71/1079242671.db2.gz UYANCGRMZPSRQX-JXMROGBWSA-N 0 0 354.406 2.778 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C[C@@H]1CCSC1 ZINC001554174739 1075609143 /nfs/dbraw/zinc/60/91/43/1075609143.db2.gz BIWYMVYDXNEWCB-GOEBONIOSA-N 0 0 374.510 2.877 20 10 FFCDRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)N1Cc2cccc(O)c2C1 ZINC001558035341 1075932774 /nfs/dbraw/zinc/93/27/74/1075932774.db2.gz HAJJDANFCGRTJU-UHFFFAOYSA-N 0 0 350.374 2.745 20 10 FFCDRN CCN1C(=O)C[C@@H](C(=O)NCc2cc(O)ccc2O)[C@@H]1c1cccc(C)c1 ZINC001558175665 1075956349 /nfs/dbraw/zinc/95/63/49/1075956349.db2.gz ZZCMGZKHTCOMGD-XLIONFOSSA-N 0 0 368.433 2.632 20 10 FFCDRN COc1c(Br)cccc1C(=O)NCc1cc(O)ccc1O ZINC001558178203 1075957220 /nfs/dbraw/zinc/95/72/20/1075957220.db2.gz WUANSDMPSCIJHO-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN CC(C)(C)OC(=O)NCCCOCC[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001560962520 1076313986 /nfs/dbraw/zinc/31/39/86/1076313986.db2.gz DUQUMRDJMQJOOT-UHFFFAOYSA-N 0 0 360.401 2.691 20 10 FFCDRN O=S(=O)(NCc1cc(Cl)ccc1O)c1cnc(Cl)c(F)c1 ZINC001561725154 1076413109 /nfs/dbraw/zinc/41/31/09/1076413109.db2.gz NYTUGVYYFUKHBN-UHFFFAOYSA-N 0 0 351.186 2.712 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NC(=O)NCc2c(O)cccc2F)cc1 ZINC001562361374 1076490796 /nfs/dbraw/zinc/49/07/96/1076490796.db2.gz CDDMNXVHZPCJCG-UHFFFAOYSA-N 0 0 367.402 2.615 20 10 FFCDRN O=C(NCCOc1ccc2c(c1)OCO2)NCc1cc(Cl)ccc1O ZINC001563587788 1076567863 /nfs/dbraw/zinc/56/78/63/1076567863.db2.gz FXQBBCGCKJHCBU-UHFFFAOYSA-N 0 0 364.785 2.653 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3CC[C@H]4[C@@H](C3)C4(F)F)CC2)cc1 ZINC001563891055 1076590949 /nfs/dbraw/zinc/59/09/49/1076590949.db2.gz WGLWQLPVKAVSML-DLBZAZTESA-N 0 0 365.424 2.961 20 10 FFCDRN COc1ccc(CNC(=O)c2cncc(Br)c2C)c(O)c1 ZINC001568098164 1077071515 /nfs/dbraw/zinc/07/15/15/1077071515.db2.gz VYAWSXBKQRERBD-UHFFFAOYSA-N 0 0 351.200 2.797 20 10 FFCDRN COc1ccc(CNC(=O)c2cc(-n3cc(C)cn3)c(F)cc2N)c(O)c1 ZINC001568097269 1077071798 /nfs/dbraw/zinc/07/17/98/1077071798.db2.gz BXSGCNGDRXBZBL-UHFFFAOYSA-N 0 0 370.384 2.546 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C[C@@H]1NC(=O)c2ccccc21 ZINC001570417946 1077205283 /nfs/dbraw/zinc/20/52/83/1077205283.db2.gz ATDGMNKYHSANFE-QRWLVFNGSA-N 0 0 365.477 2.983 20 10 FFCDRN Cn1nc(Cl)c(C(=O)NCc2ccc3cccnc3c2O)c1Cl ZINC001570533840 1077213843 /nfs/dbraw/zinc/21/38/43/1077213843.db2.gz SLFGDSIDKFXKNO-UHFFFAOYSA-N 0 0 351.193 2.911 20 10 FFCDRN Cc1cc(C(=O)N2CCNC(=O)CC2(C)C)c(C)n1-c1ccc(F)cc1 ZINC001586453561 1079631619 /nfs/dbraw/zinc/63/16/19/1079631619.db2.gz ACMLAOIRKLBANM-UHFFFAOYSA-N 0 0 357.429 2.974 20 10 FFCDRN Cc1cc(CC(=O)N(C)[C@@H](C)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC001586487994 1079638085 /nfs/dbraw/zinc/63/80/85/1079638085.db2.gz OIDNURFIXKJQPJ-SFHVURJKSA-N 0 0 369.509 2.816 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccn(-c4ccccc4)n3)C2)cc1 ZINC001587113320 1079739874 /nfs/dbraw/zinc/73/98/74/1079739874.db2.gz MKDCDFBSEIBJBN-MRXNPFEDSA-N 0 0 362.433 2.890 20 10 FFCDRN COc1ccc(Br)cc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001588270394 1079960559 /nfs/dbraw/zinc/96/05/59/1079960559.db2.gz XYYCCZVYAIJINF-UHFFFAOYSA-N 0 0 366.211 2.728 20 10 FFCDRN C[C@@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(-c2nn[nH]n2)c1 ZINC001590006555 1080932428 /nfs/dbraw/zinc/93/24/28/1080932428.db2.gz AAGSNXYOSPJSJH-BPOWMSRESA-N 0 0 352.350 2.596 20 10 FFCDRN COc1c(O)c(CN[C@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000372979949 512116115 /nfs/dbraw/zinc/11/61/15/512116115.db2.gz YTJDIFZCCNMPGP-GFCCVEGCSA-N 0 0 369.381 2.741 20 10 FFCDRN CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000053914635 205196255 /nfs/dbraw/zinc/19/62/55/205196255.db2.gz XOPKKTGJZIIPGR-FQEVSTJZSA-N 0 0 354.450 2.734 20 10 FFCDRN C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)cc1 ZINC000109183081 132244374 /nfs/dbraw/zinc/24/43/74/132244374.db2.gz FYGGGHBBOXIQDG-CQSZACIVSA-N 0 0 354.406 2.743 20 10 FFCDRN Cn1ccnc1[C@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000368911681 512132059 /nfs/dbraw/zinc/13/20/59/512132059.db2.gz ALUXSYYXFOFTBY-SFHVURJKSA-N 0 0 365.481 2.886 20 10 FFCDRN CCCOCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000065551256 506319923 /nfs/dbraw/zinc/31/99/23/506319923.db2.gz GTYDTBONMJPDCE-UHFFFAOYSA-N 0 0 360.376 2.585 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000065548969 506321177 /nfs/dbraw/zinc/32/11/77/506321177.db2.gz YRKUESYZJJRBAD-UHFFFAOYSA-N 0 0 373.428 2.670 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)c1[O-] ZINC000369134624 512243664 /nfs/dbraw/zinc/24/36/64/512243664.db2.gz OIXLGHIYAFECFA-OAHLLOKOSA-N 0 0 366.805 2.623 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1cccc(C(=O)NC)c1 ZINC000066700110 506614678 /nfs/dbraw/zinc/61/46/78/506614678.db2.gz QNOTZWAVGXENHS-UHFFFAOYSA-N 0 0 355.438 2.874 20 10 FFCDRN CS(=O)(=O)CCSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 ZINC000054774335 506618178 /nfs/dbraw/zinc/61/81/78/506618178.db2.gz WKFMFLVBPDJZCK-OAHLLOKOSA-N 0 0 366.508 2.866 20 10 FFCDRN Cc1ccc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000055522522 506769152 /nfs/dbraw/zinc/76/91/52/506769152.db2.gz HHEDMKCYRZZSLM-UHFFFAOYSA-N 0 0 358.413 2.666 20 10 FFCDRN Cc1ccccc1OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055523627 506769814 /nfs/dbraw/zinc/76/98/14/506769814.db2.gz DUHFDIFIBLDOAR-UHFFFAOYSA-N 0 0 358.413 2.666 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](c2ccccc2)[C@H]2CCOC2)c(O)c1 ZINC000373387672 512305513 /nfs/dbraw/zinc/30/55/13/512305513.db2.gz WNDWTKHIIFRFFB-QFBILLFUSA-N 0 0 356.422 2.978 20 10 FFCDRN COc1cc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)ccn1 ZINC000045521964 506977573 /nfs/dbraw/zinc/97/75/73/506977573.db2.gz YUILTVVLAPRPAK-KRWDZBQOSA-N 0 0 371.437 2.687 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)c1O ZINC000068488730 507248922 /nfs/dbraw/zinc/24/89/22/507248922.db2.gz KHTVIJVWGLJMFI-SFHVURJKSA-N 0 0 370.449 2.780 20 10 FFCDRN COc1cccc(CNC(=O)CSCC(=O)Nc2cccc(C)c2)c1O ZINC000068488806 507249146 /nfs/dbraw/zinc/24/91/46/507249146.db2.gz YBCWSNCUZCRXIQ-UHFFFAOYSA-N 0 0 374.462 2.697 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccccc1F ZINC000068535652 507261182 /nfs/dbraw/zinc/26/11/82/507261182.db2.gz FZEBCHALIHLRBE-UHFFFAOYSA-N 0 0 358.413 2.700 20 10 FFCDRN CCOCCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000057465957 507273232 /nfs/dbraw/zinc/27/32/32/507273232.db2.gz CJTDAQRTXMRCDU-HUUCEWRRSA-N 0 0 367.465 2.665 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1COc2ccccc2C1 ZINC000021963360 507276251 /nfs/dbraw/zinc/27/62/51/507276251.db2.gz WCIWAKUMKBWOLM-LJQANCHMSA-N 0 0 366.461 2.733 20 10 FFCDRN COc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000047293550 507304010 /nfs/dbraw/zinc/30/40/10/507304010.db2.gz RJMQIZJTKGMWNN-UHFFFAOYSA-N 0 0 358.413 2.725 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CN(C)C(=O)c1cccs1 ZINC000047430907 507330894 /nfs/dbraw/zinc/33/08/94/507330894.db2.gz PZDJJNUGXIYYBQ-UHFFFAOYSA-N 0 0 359.495 2.935 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000072552626 507823381 /nfs/dbraw/zinc/82/33/81/507823381.db2.gz ZXEIEXYPQSIZNE-INIZCTEOSA-N 0 0 370.453 2.968 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(OCC(F)F)n1 ZINC000089820218 507870284 /nfs/dbraw/zinc/87/02/84/507870284.db2.gz ZQODBPXUSXHACN-UHFFFAOYSA-N 0 0 363.364 2.831 20 10 FFCDRN C[C@H](NC(=O)c1ccoc1)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108296299 507885417 /nfs/dbraw/zinc/88/54/17/507885417.db2.gz FUWQRFHBQMPRKY-INIZCTEOSA-N 0 0 369.465 2.951 20 10 FFCDRN Cc1cc(C)n(CCCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000108765131 507917085 /nfs/dbraw/zinc/91/70/85/507917085.db2.gz CULDCRKUNUWCKG-RMKNXTFCSA-N 0 0 368.481 2.556 20 10 FFCDRN CCCc1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)no1 ZINC000109779745 507986125 /nfs/dbraw/zinc/98/61/25/507986125.db2.gz FXCRTLLBFJTLSV-UHFFFAOYSA-N 0 0 353.806 2.556 20 10 FFCDRN C[C@@H](NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H](C)CO ZINC000074386240 508017949 /nfs/dbraw/zinc/01/79/49/508017949.db2.gz YJOKTQBUZBBZLH-MGPQQGTHSA-N 0 0 371.428 2.573 20 10 FFCDRN C[C@H](CCO)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000074841251 508059827 /nfs/dbraw/zinc/05/98/27/508059827.db2.gz IJKVBTBQPBCJMY-ZIAGYGMSSA-N 0 0 371.428 2.575 20 10 FFCDRN CC(C)Oc1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000080272001 508059878 /nfs/dbraw/zinc/05/98/78/508059878.db2.gz KMFXVHDLCKXNJG-UHFFFAOYSA-N 0 0 370.453 2.532 20 10 FFCDRN CC(C)C(=O)NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000092706152 508096348 /nfs/dbraw/zinc/09/63/48/508096348.db2.gz UBNOLJHQFCGQSS-GFCCVEGCSA-N 0 0 369.849 2.938 20 10 FFCDRN O=C(CNc1cccc(F)c1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000081266327 508153982 /nfs/dbraw/zinc/15/39/82/508153982.db2.gz RMIGJQUAIKQDIL-UHFFFAOYSA-N 0 0 361.392 2.530 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2c2ccccc2)c1 ZINC000093910256 508160134 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O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1ccc(Cl)nc1 ZINC000077708059 508355375 /nfs/dbraw/zinc/35/53/75/508355375.db2.gz TVUSYAPVCARMCJ-UHFFFAOYSA-N 0 0 358.829 2.590 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(Cn2cc(C)cn2)on1 ZINC000156834913 508483498 /nfs/dbraw/zinc/48/34/98/508483498.db2.gz ONAFISZEZDZJQY-UHFFFAOYSA-N 0 0 354.410 2.986 20 10 FFCDRN CCCc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000134614286 508551652 /nfs/dbraw/zinc/55/16/52/508551652.db2.gz GBNYFUDVNMLZNY-CYBMUJFWSA-N 0 0 356.422 2.736 20 10 FFCDRN Nc1ccc(CC(=O)N2CCCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000153520110 508592281 /nfs/dbraw/zinc/59/22/81/508592281.db2.gz ONOAHZPDWOIFCF-UHFFFAOYSA-N 0 0 365.477 2.505 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)ncn2C ZINC000123020170 508623106 /nfs/dbraw/zinc/62/31/06/508623106.db2.gz VYQJQROFYOEZFF-UHFFFAOYSA-N 0 0 364.449 2.682 20 10 FFCDRN CN(C)c1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000117975878 508625889 /nfs/dbraw/zinc/62/58/89/508625889.db2.gz 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508934458 /nfs/dbraw/zinc/93/44/58/508934458.db2.gz BYQDMIOXMDINEL-UHFFFAOYSA-N 0 0 360.479 2.743 20 10 FFCDRN COCc1ccccc1CNC(=O)CN(C)c1ccc(OC)cc1OC ZINC000131719952 508962952 /nfs/dbraw/zinc/96/29/52/508962952.db2.gz GATZPFWQERZMRH-UHFFFAOYSA-N 0 0 358.438 2.603 20 10 FFCDRN CCc1ccc(S(C)(=O)=O)cc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000125736806 509023320 /nfs/dbraw/zinc/02/33/20/509023320.db2.gz IUFPNGXUOQGCDQ-UHFFFAOYSA-N 0 0 374.506 2.991 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCNC(=O)C(C)(C)C ZINC000120839748 509074461 /nfs/dbraw/zinc/07/44/61/509074461.db2.gz FYVZAFQXWXTYFZ-UHFFFAOYSA-N 0 0 374.529 2.981 20 10 FFCDRN Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000120876754 509080535 /nfs/dbraw/zinc/08/05/35/509080535.db2.gz CWYRXOQMYBIUDK-UHFFFAOYSA-N 0 0 370.409 2.533 20 10 FFCDRN Cc1cccc(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000161171541 509080765 /nfs/dbraw/zinc/08/07/65/509080765.db2.gz HLDOPMOFPFRWJU-UHFFFAOYSA-N 0 0 357.429 2.699 20 10 FFCDRN Cc1cc(C(=O)NCCn2cnnc2C(C)C)c(C)n1-c1ccccn1 ZINC000152091909 509144545 /nfs/dbraw/zinc/14/45/45/509144545.db2.gz XWNKMJLGTHUFDM-UHFFFAOYSA-N 0 0 352.442 2.634 20 10 FFCDRN COc1ccc(N(C)C[C@@H](O)COc2ccc(NC(C)=O)cc2)cc1F ZINC000121698768 509180701 /nfs/dbraw/zinc/18/07/01/509180701.db2.gz IZBCSRHZDDSBKH-MRXNPFEDSA-N 0 0 362.401 2.669 20 10 FFCDRN COCCOCc1cc(C(=O)NCc2ccc(N(C)C)cc2)ccc1F ZINC000172697204 509184397 /nfs/dbraw/zinc/18/43/97/509184397.db2.gz HMMMJGRYIBDOST-UHFFFAOYSA-N 0 0 360.429 2.985 20 10 FFCDRN Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)n1 ZINC000172704856 509188105 /nfs/dbraw/zinc/18/81/05/509188105.db2.gz PJLBXBPJSQGNGV-QGZVFWFLSA-N 0 0 367.453 2.843 20 10 FFCDRN COc1cc(N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc(OC)c1OC ZINC000185521581 509220030 /nfs/dbraw/zinc/22/00/30/509220030.db2.gz XWXCAKVJNCWLEY-OAHLLOKOSA-N 0 0 360.454 2.717 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000266909742 509252327 /nfs/dbraw/zinc/25/23/27/509252327.db2.gz CMGRAWFFAXAJNQ-UHFFFAOYSA-N 0 0 366.527 2.705 20 10 FFCDRN COC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(C)o1 ZINC000266925308 509260957 /nfs/dbraw/zinc/26/09/57/509260957.db2.gz DFDUSKKOVBAYCN-GOSISDBHSA-N 0 0 373.453 2.612 20 10 FFCDRN Cc1ccc(C(=O)NCC2CCN(C(=O)c3ccccc3)CC2)c(O)c1O ZINC000182486186 509264504 /nfs/dbraw/zinc/26/45/04/509264504.db2.gz IYQSJSCRDUHTKN-UHFFFAOYSA-N 0 0 368.433 2.688 20 10 FFCDRN C[C@H](c1ccccc1)[C@](C)(O)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000266967687 509282148 /nfs/dbraw/zinc/28/21/48/509282148.db2.gz KDWRCTHUZLCCBU-VGSWGCGISA-N 0 0 368.477 2.694 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN1C(=O)CC(C)(C)C ZINC000188910761 509320704 /nfs/dbraw/zinc/32/07/04/509320704.db2.gz AULXNRATBWPBLR-KRWDZBQOSA-N 0 0 373.497 2.905 20 10 FFCDRN O=C(Nc1cnns1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000192079852 509337210 /nfs/dbraw/zinc/33/72/10/509337210.db2.gz NGPZMMNBTSIXAY-UHFFFAOYSA-N 0 0 360.439 2.544 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCC(=O)NC(C)C)ccc21 ZINC000264229485 509396826 /nfs/dbraw/zinc/39/68/26/509396826.db2.gz XSYGSRCFJOOTNW-UHFFFAOYSA-N 0 0 359.470 2.549 20 10 FFCDRN CN(C)C(=O)Nc1cccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000173205615 509454810 /nfs/dbraw/zinc/45/48/10/509454810.db2.gz PTLHLLHVZXRQSP-UHFFFAOYSA-N 0 0 368.437 2.885 20 10 FFCDRN COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccc(OC)cc1 ZINC000267425958 509474096 /nfs/dbraw/zinc/47/40/96/509474096.db2.gz BHOVRIPTEJBWMN-QGZVFWFLSA-N 0 0 361.369 2.746 20 10 FFCDRN CC(=O)N[C@H](CC(=O)NCCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000236725096 509490780 /nfs/dbraw/zinc/49/07/80/509490780.db2.gz ZBVIRYYWSHLYKD-GOSISDBHSA-N 0 0 359.857 2.848 20 10 FFCDRN CC(=O)c1cc(F)cc(CN(Cc2ccc(C(N)=O)cc2)C2CC2)c1O ZINC000267467721 509501487 /nfs/dbraw/zinc/50/14/87/509501487.db2.gz WDDSRLFHPCDSMR-UHFFFAOYSA-N 0 0 356.397 2.997 20 10 FFCDRN COCCC(C)(C)CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000186111525 509528636 /nfs/dbraw/zinc/52/86/36/509528636.db2.gz RLOWGNBGXYNTTG-UHFFFAOYSA-N 0 0 363.502 2.980 20 10 FFCDRN O=C([C@@H]1CSCCS1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000267536195 509532796 /nfs/dbraw/zinc/53/27/96/509532796.db2.gz YNKVSRJCABKUSH-HOCLYGCPSA-N 0 0 353.509 2.748 20 10 FFCDRN CCNC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000182998811 509539474 /nfs/dbraw/zinc/53/94/74/509539474.db2.gz AXAXUYJDPYXAEZ-UHFFFAOYSA-N 0 0 368.437 2.933 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186167241 509557144 /nfs/dbraw/zinc/55/71/44/509557144.db2.gz CFMZMILFCGIIAW-VHSXEESVSA-N 0 0 367.298 2.631 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000186167256 509557843 /nfs/dbraw/zinc/55/78/43/509557843.db2.gz CFMZMILFCGIIAW-NXEZZACHSA-N 0 0 367.298 2.631 20 10 FFCDRN Cc1ccc(C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)c(O)c1O ZINC000267622809 509570347 /nfs/dbraw/zinc/57/03/47/509570347.db2.gz VETFRJLGQLHLNH-OAHLLOKOSA-N 0 0 356.378 2.776 20 10 FFCDRN Cc1ccc(Br)nc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000189458830 509584235 /nfs/dbraw/zinc/58/42/35/509584235.db2.gz BLPCMDYOKXTURL-SNVBAGLBSA-N 0 0 365.227 2.925 20 10 FFCDRN Cc1ccc(C(=O)NC2CC2)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000267910431 509665808 /nfs/dbraw/zinc/66/58/08/509665808.db2.gz DMBIZJYXQJCQKL-UHFFFAOYSA-N 0 0 369.421 2.663 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2c[nH]nc2-c2cccnc2)cc1 ZINC000183227336 509667292 /nfs/dbraw/zinc/66/72/92/509667292.db2.gz BXNDSEUOXACQSC-UHFFFAOYSA-N 0 0 352.394 2.660 20 10 FFCDRN Cc1c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cnn1C1CCCC1 ZINC000192846627 509670969 /nfs/dbraw/zinc/67/09/69/509670969.db2.gz QXRHJJURUBCEFU-UHFFFAOYSA-N 0 0 369.469 2.628 20 10 FFCDRN COc1cccc2[nH]cc(CC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c21 ZINC000186382420 509681244 /nfs/dbraw/zinc/68/12/44/509681244.db2.gz OIACHUFTSPMMMC-GFCCVEGCSA-N 0 0 354.406 2.878 20 10 FFCDRN Cn1ccnc1[C@H](NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CC1 ZINC000183254721 509682151 /nfs/dbraw/zinc/68/21/51/509682151.db2.gz QWCVVFZLKXZUFI-LJQANCHMSA-N 0 0 358.461 2.761 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCOCC3(CCOCC3)C2)c1[O-] ZINC000183268508 509688411 /nfs/dbraw/zinc/68/84/11/509688411.db2.gz VIVQTONYUVVUAM-UHFFFAOYSA-N 0 0 356.806 2.583 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(C2OCCO2)CC1 ZINC000170682613 509718023 /nfs/dbraw/zinc/71/80/23/509718023.db2.gz MFYFTSSMIJCHHE-UHFFFAOYSA-N 0 0 359.470 2.581 20 10 FFCDRN Cc1nc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)sc1C ZINC000193044434 509751397 /nfs/dbraw/zinc/75/13/97/509751397.db2.gz SVFCQOSUQKHKLY-UHFFFAOYSA-N 0 0 359.451 2.599 20 10 FFCDRN Nc1ccc(CC(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC000237897370 509765265 /nfs/dbraw/zinc/76/52/65/509765265.db2.gz MFRADYKIGUQXQU-UHFFFAOYSA-N 0 0 352.438 2.624 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000183455666 509800122 /nfs/dbraw/zinc/80/01/22/509800122.db2.gz HIACJGFUUCNTTD-AWEZNQCLSA-N 0 0 368.433 2.581 20 10 FFCDRN CCc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccccn1 ZINC000183475973 509812908 /nfs/dbraw/zinc/81/29/08/509812908.db2.gz MXNMTVDGNCYHOP-ZDUSSCGKSA-N 0 0 366.421 2.602 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2c(C)nn(C)c2-n2cccn2)cc1 ZINC000186892204 509933960 /nfs/dbraw/zinc/93/39/60/509933960.db2.gz TVTZZHJHLNSWLQ-UHFFFAOYSA-N 0 0 366.469 2.690 20 10 FFCDRN CCCNC(=O)CCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000265462344 510066444 /nfs/dbraw/zinc/06/64/44/510066444.db2.gz ZANGWTQQKCGBLR-KRWDZBQOSA-N 0 0 362.470 2.596 20 10 FFCDRN CCCOc1cc(C)ccc1NC(=O)C(=O)NCc1cccc(OC)c1O ZINC000265573974 510122067 /nfs/dbraw/zinc/12/20/67/510122067.db2.gz PHQNOTCLSHORKZ-UHFFFAOYSA-N 0 0 372.421 2.753 20 10 FFCDRN Cc1nc(CN2CCC(CNC(=O)c3ccc(C)c(O)c3O)CC2)oc1C ZINC000177685230 510200279 /nfs/dbraw/zinc/20/02/79/510200279.db2.gz KPDQOLUFUJKQKR-UHFFFAOYSA-N 0 0 373.453 2.653 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000180975647 510216891 /nfs/dbraw/zinc/21/68/91/510216891.db2.gz SPQIRECPTAHSBL-FTPZRKARSA-N 0 0 356.397 2.893 20 10 FFCDRN C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000269121319 510244932 /nfs/dbraw/zinc/24/49/32/510244932.db2.gz DLFSSQCIEHZWQC-BLLLJJGKSA-N 0 0 354.406 2.665 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000269281961 510322158 /nfs/dbraw/zinc/32/21/58/510322158.db2.gz QKXASVCXDVFUFA-UHFFFAOYSA-N 0 0 352.438 2.586 20 10 FFCDRN CN1C(=O)CC[C@@H](C(=O)NCCc2ccc(N)cc2)[C@H]1c1ccccc1 ZINC000262586885 510327094 /nfs/dbraw/zinc/32/70/94/510327094.db2.gz WFGKHSPJXMLHHW-UYAOXDASSA-N 0 0 351.450 2.537 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCCN(C(=O)C3CC3)CC2)cc1 ZINC000187638187 510365037 /nfs/dbraw/zinc/36/50/37/510365037.db2.gz JRMMHRAUAVWAOX-UHFFFAOYSA-N 0 0 372.513 2.687 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN(Cc2ccccn2)C2CC2)cc1 ZINC000181359747 510372951 /nfs/dbraw/zinc/37/29/51/510372951.db2.gz CFHLOPHRUAZROA-UHFFFAOYSA-N 0 0 352.482 2.771 20 10 FFCDRN COc1cccc([C@H](O)CNC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000171836440 510399634 /nfs/dbraw/zinc/39/96/34/510399634.db2.gz WODZAXKIEMDJQU-HXUWFJFHSA-N 0 0 369.465 2.828 20 10 FFCDRN Cc1noc(-c2cccnc2N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000266141097 510429978 /nfs/dbraw/zinc/42/99/78/510429978.db2.gz HFWHBNZVXDICFP-UHFFFAOYSA-N 0 0 365.437 2.913 20 10 FFCDRN COc1cccc(F)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000266276834 510493687 /nfs/dbraw/zinc/49/36/87/510493687.db2.gz NWIJBIBLXYSLTD-UHFFFAOYSA-N 0 0 358.413 2.943 20 10 FFCDRN CC(C)(C)[S@](=O)CCNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000172061369 510522327 /nfs/dbraw/zinc/52/23/27/510522327.db2.gz JJHNKUVURYJXQF-XMMPIXPASA-N 0 0 351.516 2.633 20 10 FFCDRN C[C@@H](NCc1nnc2n1CCCCC2)c1ccc(N2CCOCC2)cc1 ZINC000178282870 510526060 /nfs/dbraw/zinc/52/60/60/510526060.db2.gz FQJQFYKTFMRZST-MRXNPFEDSA-N 0 0 355.486 2.692 20 10 FFCDRN COc1cc(O)c(CN2CCN([C@@H](C)c3nccs3)CC2)cc1OC ZINC000184902385 510573393 /nfs/dbraw/zinc/57/33/93/510573393.db2.gz KFDQXYQPQPJXCC-ZDUSSCGKSA-N 0 0 363.483 2.745 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)N1CCS[C@H]2CCCC[C@@H]21 ZINC000175474931 510659715 /nfs/dbraw/zinc/65/97/15/510659715.db2.gz UOCRDMFTHJASKP-GJZGRUSLSA-N 0 0 353.509 2.980 20 10 FFCDRN CC(=O)N[C@H](CC(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1F ZINC000175504462 510666899 /nfs/dbraw/zinc/66/68/99/510666899.db2.gz CJXVWIXPRIIERI-QGZVFWFLSA-N 0 0 362.376 2.896 20 10 FFCDRN O=C(N[C@H]1CCC[C@@H]1CCO)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000188373766 510734867 /nfs/dbraw/zinc/73/48/67/510734867.db2.gz HRGGWEXMNZNAHU-NXHRZFHOSA-N 0 0 362.470 2.634 20 10 FFCDRN CCCCn1nccc1NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000178801188 510780900 /nfs/dbraw/zinc/78/09/00/510780900.db2.gz XSSYFSYQZNJUIO-UHFFFAOYSA-N 0 0 371.485 2.784 20 10 FFCDRN CC(C)c1nnc2n1CCN(Cc1ccc(N3CCOCC3)cc1)[C@@H]2C ZINC000188479799 510787707 /nfs/dbraw/zinc/78/77/07/510787707.db2.gz DXQOVMSMMVNUDV-MRXNPFEDSA-N 0 0 355.486 2.815 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ncc(C(F)(F)F)cn2)cc1F ZINC000297269053 510881287 /nfs/dbraw/zinc/88/12/87/510881287.db2.gz PQWVCDMQWOMDNB-UHFFFAOYSA-N 0 0 371.338 2.700 20 10 FFCDRN Cc1cc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)n(C)n1 ZINC000285389771 510886662 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ZINC000292217983 511510507 /nfs/dbraw/zinc/51/05/07/511510507.db2.gz IIUAVPFTFYZRLJ-AWEZNQCLSA-N 0 0 373.428 2.866 20 10 FFCDRN COc1ccc(C[C@@H](C)C(=O)NCCc2ccc(O)c(O)c2)cc1OC ZINC000272952810 511511763 /nfs/dbraw/zinc/51/17/63/511511763.db2.gz VHZRAOMMNGOEAD-CYBMUJFWSA-N 0 0 359.422 2.653 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](CO)[C@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000280562745 511512605 /nfs/dbraw/zinc/51/26/05/511512605.db2.gz VKJKWRLNUZRFJB-ROUUACIJSA-N 0 0 356.466 2.777 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000273002645 511515028 /nfs/dbraw/zinc/51/50/28/511515028.db2.gz OTJZTBWCKDLJGF-CHWSQXEVSA-N 0 0 364.442 2.782 20 10 FFCDRN CC[C@H]1C[C@@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000273008225 511515531 /nfs/dbraw/zinc/51/55/31/511515531.db2.gz PMMYRLPTFTZAEQ-WFASDCNBSA-N 0 0 369.845 2.752 20 10 FFCDRN COc1cccc(CO[C@@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273177065 511519592 /nfs/dbraw/zinc/51/95/92/511519592.db2.gz NNFSIGARMAAUQC-KGLIPLIRSA-N 0 0 359.422 2.759 20 10 FFCDRN CCOC(=O)COc1ccc(NCc2cc(OC)c(OC)cc2O)cc1 ZINC000273372165 511523784 /nfs/dbraw/zinc/52/37/84/511523784.db2.gz GARMAIULOAPSKU-UHFFFAOYSA-N 0 0 361.394 2.963 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273409055 511524540 /nfs/dbraw/zinc/52/45/40/511524540.db2.gz PFARMIDUWDLECL-CQSZACIVSA-N 0 0 357.410 2.988 20 10 FFCDRN CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)Cc1ccccc1O ZINC000363398588 511526143 /nfs/dbraw/zinc/52/61/43/511526143.db2.gz LTHSQPTXOMIWPK-UHFFFAOYSA-N 0 0 353.422 2.588 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273432647 511526678 /nfs/dbraw/zinc/52/66/78/511526678.db2.gz WDXNGVLBXDVOLR-ZDUSSCGKSA-N 0 0 373.409 2.618 20 10 FFCDRN CCOC(=O)C1([S@@](C)=O)CCN([C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000295851817 511536172 /nfs/dbraw/zinc/53/61/72/511536172.db2.gz BAQPSHVQYHAQMY-ODCWNRFASA-N 0 0 366.527 2.590 20 10 FFCDRN CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273593238 511545034 /nfs/dbraw/zinc/54/50/34/511545034.db2.gz PTBPGULYVTXWCM-UNGVXAHZSA-N 0 0 353.484 2.909 20 10 FFCDRN COc1cc(OC)cc([C@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273592887 511545932 /nfs/dbraw/zinc/54/59/32/511545932.db2.gz PSEPNMYDGTVNQS-ADLMAVQZSA-N 0 0 362.382 2.702 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000283936701 511549803 /nfs/dbraw/zinc/54/98/03/511549803.db2.gz HPELLDPMUSCQAX-LJQANCHMSA-N 0 0 366.465 2.595 20 10 FFCDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2cc(F)ccc2O)cc1 ZINC000280687439 511563582 /nfs/dbraw/zinc/56/35/82/511563582.db2.gz OAWDFKCFCHACGH-GFCCVEGCSA-N 0 0 360.385 2.825 20 10 FFCDRN Cc1ccccc1CN(C)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284006143 511572069 /nfs/dbraw/zinc/57/20/69/511572069.db2.gz KDWLJNDTMCYVGW-UHFFFAOYSA-N 0 0 365.477 2.870 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NCCc2cccs2)C2CC2)cc1 ZINC000284042095 511584708 /nfs/dbraw/zinc/58/47/08/511584708.db2.gz RHSAURSZWZEHPT-UHFFFAOYSA-N 0 0 371.506 2.664 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCC2([S@](C)=O)CCC2)C2CC2)cc1 ZINC000280748579 511586871 /nfs/dbraw/zinc/58/68/71/511586871.db2.gz KRQYMCNOPLHXAZ-VWLOTQADSA-N 0 0 363.527 2.728 20 10 FFCDRN CCCc1cc(=O)n2nc(NCc3ccc(N(C)C)c(F)c3)sc2n1 ZINC000299308690 511587183 /nfs/dbraw/zinc/58/71/83/511587183.db2.gz GCUJRLJKUFHTDD-UHFFFAOYSA-N 0 0 361.446 2.921 20 10 FFCDRN CNC(=O)C1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000299325487 511592546 /nfs/dbraw/zinc/59/25/46/511592546.db2.gz OBIXHHZWUBHXHH-UHFFFAOYSA-N 0 0 372.513 2.731 20 10 FFCDRN CCCOc1ccc(CNc2ccc(C(=O)NCCCO)cc2)c(O)c1 ZINC000280796056 511605887 /nfs/dbraw/zinc/60/58/87/511605887.db2.gz RQTMYMCSUQCGRT-UHFFFAOYSA-N 0 0 358.438 2.905 20 10 FFCDRN Cc1ccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000284114040 511609215 /nfs/dbraw/zinc/60/92/15/511609215.db2.gz QXFFMELDNYNTQL-UHFFFAOYSA-N 0 0 371.506 2.930 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3ccccc3SCC(N)=O)ccc21 ZINC000299384133 511616400 /nfs/dbraw/zinc/61/64/00/511616400.db2.gz OJGKBJOCBDPQCQ-UHFFFAOYSA-N 0 0 369.490 2.576 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCCC(=O)N2CCCCCC2)cc1 ZINC000299500212 511659979 /nfs/dbraw/zinc/65/99/79/511659979.db2.gz LMQZMZIZQIEHHF-UHFFFAOYSA-N 0 0 360.502 2.687 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000299658452 511666094 /nfs/dbraw/zinc/66/60/94/511666094.db2.gz MMOSPXNIIYSUKA-INIZCTEOSA-N 0 0 372.425 2.810 20 10 FFCDRN CC[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(C)cc1O ZINC000284342673 511690582 /nfs/dbraw/zinc/69/05/82/511690582.db2.gz LQMNWEXOLNIXLB-QGZVFWFLSA-N 0 0 355.438 2.821 20 10 FFCDRN COc1cc(N2CCN(C(=O)C[C@H](C)SC)CC2)cc(OC)c1OC ZINC000274013573 511693606 /nfs/dbraw/zinc/69/36/06/511693606.db2.gz QUIPJRNGCRVGPB-ZDUSSCGKSA-N 0 0 368.499 2.503 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(Cl)cc1C(N)=O ZINC000301457375 511697268 /nfs/dbraw/zinc/69/72/68/511697268.db2.gz XHSCCSNLUBQIMH-UHFFFAOYSA-N 0 0 359.861 2.856 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](c4ccc(F)cc4)C3)cc2N1 ZINC000301642567 511699067 /nfs/dbraw/zinc/69/90/67/511699067.db2.gz ZNDXCZMUXNKODB-KRWDZBQOSA-N 0 0 373.340 2.643 20 10 FFCDRN CCN(CC)c1ccc(CNc2cc(N3CCOCC3)ncn2)cc1F ZINC000302916291 511720093 /nfs/dbraw/zinc/72/00/93/511720093.db2.gz WDFBMQVWQGOLKR-UHFFFAOYSA-N 0 0 359.449 2.911 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1CCO[C@H](C)C1 ZINC000296541255 511789946 /nfs/dbraw/zinc/78/99/46/511789946.db2.gz FEGLDBBYWZRXKF-CRAIPNDOSA-N 0 0 354.516 2.860 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2CCO[C@@H](C)C2)cc1F ZINC000296584545 511807707 /nfs/dbraw/zinc/80/77/07/511807707.db2.gz FAQSFHDWVHYWNW-ZFWWWQNUSA-N 0 0 358.479 2.659 20 10 FFCDRN Cc1nsc(C)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000293387059 511946020 /nfs/dbraw/zinc/94/60/20/511946020.db2.gz IYNOHKBBFNXBBN-UHFFFAOYSA-N 0 0 363.458 2.790 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@]12CCOC2 ZINC000364094971 511956261 /nfs/dbraw/zinc/95/62/61/511956261.db2.gz HQJJJBAUMBUFCQ-CZUORRHYSA-N 0 0 354.244 2.930 20 10 FFCDRN CCCN(CCC)C(=O)CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274982773 512006130 /nfs/dbraw/zinc/00/61/30/512006130.db2.gz XSSBZHJTMQBHOF-AWEZNQCLSA-N 0 0 350.459 2.574 20 10 FFCDRN COc1ccccc1CN(C[C@H]1CCCO1)C(=O)c1cccc(O)c1O ZINC000275059888 512029876 /nfs/dbraw/zinc/02/98/76/512029876.db2.gz YRMVSKSALZAMTL-OAHLLOKOSA-N 0 0 357.406 2.928 20 10 FFCDRN COC1CCN(c2ccc(CN3CCN(CC(F)F)CC3)cc2)CC1 ZINC000297151960 512039160 /nfs/dbraw/zinc/03/91/60/512039160.db2.gz OHJVJKYLVFJFOG-UHFFFAOYSA-N 0 0 353.457 2.685 20 10 FFCDRN COCC(=O)N1CCc2cc(NCc3cc(OC)c(OC)cc3O)ccc21 ZINC000275155079 512059098 /nfs/dbraw/zinc/05/90/98/512059098.db2.gz VDNGEEWSIPPSRT-UHFFFAOYSA-N 0 0 372.421 2.557 20 10 FFCDRN O=C(c1cccc(NCc2c(O)cccc2Cl)n1)N1CCC[C@H]1CO ZINC000275213749 512077146 /nfs/dbraw/zinc/07/71/46/512077146.db2.gz IHTIQKBOFFNXAP-LBPRGKRZSA-N 0 0 361.829 2.650 20 10 FFCDRN CN(C(=O)c1cccc(O)c1O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000275255196 512088315 /nfs/dbraw/zinc/08/83/15/512088315.db2.gz HOTCZEGUVULXJF-UHFFFAOYSA-N 0 0 350.415 2.569 20 10 FFCDRN CN(C(=O)[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1)c1ccccc1 ZINC000373771858 512498320 /nfs/dbraw/zinc/49/83/20/512498320.db2.gz NZBPDDMIVZRGFN-XAVKZTDYSA-N 0 0 366.417 2.623 20 10 FFCDRN CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000367534628 512547790 /nfs/dbraw/zinc/54/77/90/512547790.db2.gz XOUZPQVXKHATPV-MMNRESRNSA-N 0 0 363.477 2.656 20 10 FFCDRN Oc1ccc(Cl)cc1CNc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000376030292 512625355 /nfs/dbraw/zinc/62/53/55/512625355.db2.gz COPMDDJHWZMZOV-UHFFFAOYSA-N 0 0 358.833 2.830 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@@H]2c2ncon2)c(C)n1-c1ccccc1C ZINC000374298949 512752579 /nfs/dbraw/zinc/75/25/79/512752579.db2.gz XXZXEFLKQHSMEX-GOSISDBHSA-N 0 0 366.421 2.999 20 10 FFCDRN O=C(CC[C@H]1CCOC1)N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000376612974 512899652 /nfs/dbraw/zinc/89/96/52/512899652.db2.gz XYZNVGNGSPXKAG-WMLDXEAASA-N 0 0 366.889 2.943 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC[C@@H]1c1cc[nH]n1 ZINC000376698748 512946695 /nfs/dbraw/zinc/94/66/95/512946695.db2.gz FKHGWRLMHJXITE-LJQANCHMSA-N 0 0 369.469 2.683 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@H](c3ncon3)C2)c(C)n1-c1cccc(C)c1 ZINC000368618703 513028432 /nfs/dbraw/zinc/02/84/32/513028432.db2.gz WRKZPVDQZSBJEP-GOSISDBHSA-N 0 0 366.421 2.999 20 10 FFCDRN CO[C@H]1CCN2C(=O)N(Cc3ccc(N4CCC(C)CC4)cc3)C(=O)[C@H]2C1 ZINC000372865806 513079976 /nfs/dbraw/zinc/07/99/76/513079976.db2.gz LWQXYYUJZPEGPT-RBUKOAKNSA-N 0 0 371.481 2.865 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ncnn1C(C)(C)C ZINC000409609924 513125303 /nfs/dbraw/zinc/12/53/03/513125303.db2.gz YRCBGNZBAAEFSD-UHFFFAOYSA-N 0 0 354.458 2.833 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H]1CCNCC1(F)F ZINC000418100812 513372856 /nfs/dbraw/zinc/37/28/56/513372856.db2.gz QJULKMHPZCIQSS-ZDUSSCGKSA-N 0 0 350.413 2.531 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cnnn1-c1cccc(F)c1 ZINC000448311771 513731474 /nfs/dbraw/zinc/73/14/74/513731474.db2.gz QHHNAXNIOHQPLE-UHFFFAOYSA-N 0 0 367.384 2.512 20 10 FFCDRN COCCOC[C@H]1CCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472281755 515200020 /nfs/dbraw/zinc/20/00/20/515200020.db2.gz SMTWNPNVCQPDBC-INIZCTEOSA-N 0 0 359.470 2.681 20 10 FFCDRN CCCC[C@H](NC(=O)NCC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000473260633 515554973 /nfs/dbraw/zinc/55/49/73/515554973.db2.gz WRGCBWLNJUIKBI-INIZCTEOSA-N 0 0 358.486 2.981 20 10 FFCDRN CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000483556548 516131718 /nfs/dbraw/zinc/13/17/18/516131718.db2.gz OENOBPWLPVKFHZ-UKRRQHHQSA-N 0 0 373.497 2.938 20 10 FFCDRN O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnn(C2CC2)c1 ZINC000528862290 516756671 /nfs/dbraw/zinc/75/66/71/516756671.db2.gz MXPLCSZCLBKPJV-INIZCTEOSA-N 0 0 374.872 2.971 20 10 FFCDRN CCO[C@H]1C[C@@H]1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000514708048 517013830 /nfs/dbraw/zinc/01/38/30/517013830.db2.gz LIDMSGZSYDRUJV-PXNSSMCTSA-N 0 0 355.482 2.701 20 10 FFCDRN Cc1noc([C@@H]2CCN(C(=O)NCc3c(C)c4ccccc4n3C)C2)n1 ZINC000519553224 517042650 /nfs/dbraw/zinc/04/26/50/517042650.db2.gz VPQLCIKZIWGVRZ-CQSZACIVSA-N 0 0 353.426 2.877 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H](C)c1nnc2n1CCCC2 ZINC000525917716 517232430 /nfs/dbraw/zinc/23/24/30/517232430.db2.gz AJAWOSSNZVHPNL-AWEZNQCLSA-N 0 0 366.469 2.975 20 10 FFCDRN COc1cc(OC)cc(N(C)S(=O)(=O)c2cccc3nsnc32)c1 ZINC000526961006 517413534 /nfs/dbraw/zinc/41/35/34/517413534.db2.gz XPPWOPDRKFOKIF-UHFFFAOYSA-N 0 0 365.436 2.534 20 10 FFCDRN CCOC[C@@H]1CN(C(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)CCO1 ZINC000529900763 517427698 /nfs/dbraw/zinc/42/76/98/517427698.db2.gz GHRHJVOEELNFOP-SFHVURJKSA-N 0 0 374.481 2.782 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(NC(=O)C2CC2)CC1 ZINC000527175415 517543856 /nfs/dbraw/zinc/54/38/56/517543856.db2.gz PYVIJKYQQPCJIK-UHFFFAOYSA-N 0 0 368.481 2.687 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H](C)Sc1nnnn1C1CC1 ZINC000527475367 517698065 /nfs/dbraw/zinc/69/80/65/517698065.db2.gz JJOVZJFJESBACZ-LBPRGKRZSA-N 0 0 370.482 2.605 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCc1ccc(C)c(F)c1 ZINC000521985110 517933117 /nfs/dbraw/zinc/93/31/17/517933117.db2.gz WMTIKZFCXOVJLT-UHFFFAOYSA-N 0 0 367.424 2.867 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)C[C@H]1CC=CCC1 ZINC000578789479 518374081 /nfs/dbraw/zinc/37/40/81/518374081.db2.gz CQSXPGITUPTFDE-INIZCTEOSA-N 0 0 353.466 2.918 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]cc1-c1cnn(C)c1 ZINC000567940793 518794745 /nfs/dbraw/zinc/79/47/45/518794745.db2.gz FFYVRJXKWDAVND-UHFFFAOYSA-N 0 0 351.410 2.520 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3C[C@H](O)C34CCC4)ccc21 ZINC000619086494 521391403 /nfs/dbraw/zinc/39/14/03/521391403.db2.gz ZEBNBQAIVNHCTR-MOPGFXCFSA-N 0 0 356.466 2.938 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C[C@H]1CCC(F)(F)C1 ZINC000632051680 521853237 /nfs/dbraw/zinc/85/32/37/521853237.db2.gz UERGUUKWHGKKOY-LBPRGKRZSA-N 0 0 360.426 2.717 20 10 FFCDRN O=[N+]([O-])c1ccc(NCc2c(O)ccc3c2CCCC3)c(-c2nn[nH]n2)c1 ZINC000823639494 599063592 /nfs/dbraw/zinc/06/35/92/599063592.db2.gz BFCVJXKDPIVCKZ-UHFFFAOYSA-N 0 0 366.381 2.971 20 10 FFCDRN CCOc1cccc(NC(=S)NNc2ccc(-c3nn[nH]n3)cc2)c1 ZINC000821431323 599226103 /nfs/dbraw/zinc/22/61/03/599226103.db2.gz PRYYACFBRDKYAH-UHFFFAOYSA-N 0 0 355.427 2.579 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)C2CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234335 598610466 /nfs/dbraw/zinc/61/04/66/598610466.db2.gz PJVHKOMUNBWMGE-GFCCVEGCSA-N 0 0 350.426 2.803 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(-c3nn[nH]n3)ccc2C)c1 ZINC000737105839 598782558 /nfs/dbraw/zinc/78/25/58/598782558.db2.gz KFKZDHYHKPOPOR-NSHDSACASA-N 0 0 368.397 2.772 20 10 FFCDRN CC[C@@H](C)[C@@H](NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1)C(=O)[O-] ZINC000736880437 600219143 /nfs/dbraw/zinc/21/91/43/600219143.db2.gz WXVVRBXMRMWAIU-AUUYWEPGSA-N 0 0 362.470 2.752 20 10 FFCDRN C[C@H](CC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738902280 602650322 /nfs/dbraw/zinc/65/03/22/602650322.db2.gz BMGBPHFXQUJOAE-CYBMUJFWSA-N 0 0 350.419 2.721 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000827717478 604287117 /nfs/dbraw/zinc/28/71/17/604287117.db2.gz ILXGFUSGTDETOJ-ZIAGYGMSSA-N 0 0 367.877 2.970 20 10 FFCDRN CCCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1ccc(C)c(O)c1O ZINC000825317972 608865020 /nfs/dbraw/zinc/86/50/20/608865020.db2.gz FSWQVMSZXQGVRW-UHFFFAOYSA-N 0 0 367.409 2.639 20 10 FFCDRN CCOc1ccc(O)c(CNc2cc(-c3nn[nH]n3)ccc2OCC)c1 ZINC000825643054 609477813 /nfs/dbraw/zinc/47/78/13/609477813.db2.gz GYLKVCMNKSEQQX-UHFFFAOYSA-N 0 0 355.398 2.982 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NOCCC(F)(F)F ZINC000153942356 728792354 /nfs/dbraw/zinc/79/23/54/728792354.db2.gz HVJHAEGZFLJEBD-UHFFFAOYSA-N 0 0 363.405 2.923 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1F ZINC000154290817 728800913 /nfs/dbraw/zinc/80/09/13/728800913.db2.gz AIZGLBAPOMZGIO-UHFFFAOYSA-N 0 0 367.402 2.587 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1cnn(C[C@@H]2CCCO2)c1 ZINC000154823503 728812909 /nfs/dbraw/zinc/81/29/09/728812909.db2.gz VZSCUFQCYJOTRS-ZDUSSCGKSA-N 0 0 367.500 2.823 20 10 FFCDRN CC(C)CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCC1 ZINC000155131082 728821214 /nfs/dbraw/zinc/82/12/14/728821214.db2.gz BQMAKBIFCMYNSO-UHFFFAOYSA-N 0 0 354.472 2.710 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2c[nH]c3nccc(Cl)c23)cc1 ZINC000155896073 728838177 /nfs/dbraw/zinc/83/81/77/728838177.db2.gz ZFDVWNTYPKTTFB-UHFFFAOYSA-N 0 0 364.858 2.761 20 10 FFCDRN COc1ccsc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC000157138163 728866838 /nfs/dbraw/zinc/86/68/38/728866838.db2.gz CTXHQWSXVCUCFF-UHFFFAOYSA-N 0 0 352.481 2.618 20 10 FFCDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2C)c1 ZINC000743259972 735285858 /nfs/dbraw/zinc/28/58/58/735285858.db2.gz SJAMUMMYAZPURJ-UHFFFAOYSA-N 0 0 355.799 2.941 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@](C)(O)CSC)cc1F ZINC000159481501 728907777 /nfs/dbraw/zinc/90/77/77/728907777.db2.gz MTEYGAZHKWNRCH-KRWDZBQOSA-N 0 0 357.495 2.585 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(F)c(F)c2F)c1 ZINC000161180690 728929768 /nfs/dbraw/zinc/92/97/68/728929768.db2.gz KKBRSBLJMNDVJW-QMMMGPOBSA-N 0 0 361.341 2.858 20 10 FFCDRN COCCO[C@]12CCC[C@@]1([NH2+]Cc1cc(Cl)cc(F)c1[O-])CCO2 ZINC000897999294 735301804 /nfs/dbraw/zinc/30/18/04/735301804.db2.gz IOJHOINEJZTHFR-IAGOWNOFSA-N 0 0 359.825 2.977 20 10 FFCDRN COCCOCCCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743578831 735306578 /nfs/dbraw/zinc/30/65/78/735306578.db2.gz RDUOYNOSRAMDJV-UHFFFAOYSA-N 0 0 350.459 2.513 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)cc1 ZINC000007371810 727792497 /nfs/dbraw/zinc/79/24/97/727792497.db2.gz ZXVHBXPEVZNBBM-UHFFFAOYSA-N 0 0 359.813 2.630 20 10 FFCDRN O=C1/C(=C/c2cc3ccccc3o2)SC(=S)N1CCN1CCOCC1 ZINC000022226067 727837146 /nfs/dbraw/zinc/83/71/46/727837146.db2.gz GTGAACATKNMYSH-VBKFSLOCSA-N 0 0 374.487 2.966 20 10 FFCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccnc(-c2ccccn2)n1 ZINC000899342545 735477874 /nfs/dbraw/zinc/47/78/74/735477874.db2.gz ZJFQEQUFDIBNMC-QINSGFPZSA-N 0 0 351.435 2.995 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSc3ccc(O)cc3)CC2)cc1 ZINC000047894785 728040023 /nfs/dbraw/zinc/04/00/23/728040023.db2.gz RSQRVDZQTZYHKY-UHFFFAOYSA-N 0 0 358.463 2.842 20 10 FFCDRN CC(C)OCCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000053958095 728085993 /nfs/dbraw/zinc/08/59/93/728085993.db2.gz DUSFYOVPTZOSOT-QGZVFWFLSA-N 0 0 350.459 2.898 20 10 FFCDRN Cc1cc(C)cc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1 ZINC000063702820 728137012 /nfs/dbraw/zinc/13/70/12/728137012.db2.gz XQFDPCHOSHLMNY-VBKFSLOCSA-N 0 0 362.520 2.837 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCCN(c3nccs3)CC2)cc1 ZINC000064412362 728149670 /nfs/dbraw/zinc/14/96/70/728149670.db2.gz QOYVOTRYQNRSQS-UHFFFAOYSA-N 0 0 359.499 2.631 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc([S@](C)=O)cc2)c1 ZINC000080196233 728323575 /nfs/dbraw/zinc/32/35/75/728323575.db2.gz ZJYAONYWYIVVLD-UOXLDJKESA-N 0 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/nfs/dbraw/zinc/60/33/40/728603340.db2.gz WYZAXHDFJVCENM-LJQANCHMSA-N 0 0 366.527 2.911 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000121792880 728639204 /nfs/dbraw/zinc/63/92/04/728639204.db2.gz LWMGPFQDPCMJDY-HNNXBMFYSA-N 0 0 360.479 2.662 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@@H]2C)cc1 ZINC000121880922 728640981 /nfs/dbraw/zinc/64/09/81/728640981.db2.gz HZYPJENYLNELAY-HOTGVXAUSA-N 0 0 360.479 2.742 20 10 FFCDRN CN(C)C(=O)CN(Cc1cc(C(C)(C)C)cc(O)c1O)CC(F)(F)F ZINC000123755223 728662371 /nfs/dbraw/zinc/66/23/71/728662371.db2.gz JWAQTMHNDPMYHT-UHFFFAOYSA-N 0 0 362.392 2.848 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)S(=O)(=O)CC(C)C ZINC000123899332 728664201 /nfs/dbraw/zinc/66/42/01/728664201.db2.gz UKNWLOBSDQKNKP-UHFFFAOYSA-N 0 0 350.278 2.962 20 10 FFCDRN CS(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nccs2)c1 ZINC000127034021 728705241 /nfs/dbraw/zinc/70/52/41/728705241.db2.gz BNCFQSQZGMDFET-UHFFFAOYSA-N 0 0 362.885 2.931 20 10 FFCDRN CCNc1ncc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000127560261 728706636 /nfs/dbraw/zinc/70/66/36/728706636.db2.gz LWXMEQZEFACDGD-CYBMUJFWSA-N 0 0 360.483 2.903 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1cccnc1-n1ccnc1 ZINC000152126061 728748222 /nfs/dbraw/zinc/74/82/22/728748222.db2.gz LZFONBUGUKFCPP-UHFFFAOYSA-N 0 0 374.495 2.705 20 10 FFCDRN C[C@@H](Sc1ncc(C(C)(C)C)s1)C(=O)N1CCC(C(N)=O)CC1 ZINC000164359077 728965773 /nfs/dbraw/zinc/96/57/73/728965773.db2.gz XVEBZADDLJIFKP-SNVBAGLBSA-N 0 0 355.529 2.645 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCC[S@](=O)C(C)(C)C)cc1 ZINC000172061445 729018984 /nfs/dbraw/zinc/01/89/84/729018984.db2.gz ODPALENMOGHTPM-DEOSSOPVSA-N 0 0 353.532 2.879 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cn(Cc3cccs3)nn2)c1 ZINC000173132309 729040732 /nfs/dbraw/zinc/04/07/32/729040732.db2.gz YWPNIDBZPISWDN-NSHDSACASA-N 0 0 358.423 2.593 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000176817787 729120965 /nfs/dbraw/zinc/12/09/65/729120965.db2.gz RQQUXCTYYDBQMY-UHFFFAOYSA-N 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BDCFFTVPPALBES-UHFFFAOYSA-N 0 0 358.419 2.670 20 10 FFCDRN COC[C@H](C)n1ccc(NC(=O)NCCCSc2nccs2)n1 ZINC000189941039 729403797 /nfs/dbraw/zinc/40/37/97/729403797.db2.gz IMFSDURXJAHBDN-NSHDSACASA-N 0 0 355.489 2.851 20 10 FFCDRN COc1cc(CN2CC[C@@H](C)S(=O)(=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000191315297 729415753 /nfs/dbraw/zinc/41/57/53/729415753.db2.gz INVMMVZKYWVMOU-CYBMUJFWSA-N 0 0 355.500 2.707 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)C2=Cc3ccccc3OC2)cc1 ZINC000191853118 729419890 /nfs/dbraw/zinc/41/98/90/729419890.db2.gz ROIWURJDRHBUTK-UHFFFAOYSA-N 0 0 358.463 2.948 20 10 FFCDRN COCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756586747 736345381 /nfs/dbraw/zinc/34/53/81/736345381.db2.gz UCVTXVSHGSBZSB-LKFCYVNXSA-N 0 0 350.228 2.732 20 10 FFCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1cccc(S(C)(=O)=O)c1 ZINC000255365189 729637782 /nfs/dbraw/zinc/63/77/82/729637782.db2.gz FEPRMGKXMRNWIA-CLFYSBASSA-N 0 0 350.827 2.815 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)CC(F)F)c2C)cc1 ZINC000760676344 736659975 /nfs/dbraw/zinc/65/99/75/736659975.db2.gz INLVJQQSSIKTTK-CYBMUJFWSA-N 0 0 352.381 2.849 20 10 FFCDRN CC(C)[C@@H](CCNC(=O)c1cccc(O)c1O)NC(=O)OC(C)(C)C ZINC000856192547 730314763 /nfs/dbraw/zinc/31/47/63/730314763.db2.gz ZOAWOQBPUYFDLM-CYBMUJFWSA-N 0 0 352.431 2.767 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CC12CCSCC2 ZINC000856207832 730316145 /nfs/dbraw/zinc/31/61/45/730316145.db2.gz MXQMQCHNSAABCU-SFHVURJKSA-N 0 0 360.523 2.797 20 10 FFCDRN CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)n1 ZINC000856593739 730346534 /nfs/dbraw/zinc/34/65/34/730346534.db2.gz CIXRVDBEKBMTDK-QGZVFWFLSA-N 0 0 351.834 2.561 20 10 FFCDRN COc1cccc(CN2CC(O)(c3cccc(Br)c3)C2)c1O ZINC000857069595 730377299 /nfs/dbraw/zinc/37/72/99/730377299.db2.gz MSXYUFHPPXYSSL-UHFFFAOYSA-N 0 0 364.239 2.867 20 10 FFCDRN O=S(=O)(NN=c1[nH]c2cccnc2s1)c1cccc2c1CCCC2 ZINC000857225034 730386207 /nfs/dbraw/zinc/38/62/07/730386207.db2.gz DPVIRFTVAIQRSM-UHFFFAOYSA-N 0 0 360.464 2.876 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@@H]3C[C@]3(C)Br)CC2)cc1 ZINC000858667555 730431148 /nfs/dbraw/zinc/43/11/48/730431148.db2.gz SKNUAKBPETZGBK-RDJZCZTQSA-N 0 0 367.287 2.907 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](O)C(F)(F)F)c1 ZINC000859887938 730468594 /nfs/dbraw/zinc/46/85/94/730468594.db2.gz LVEZYHIRRZBBOD-OAHLLOKOSA-N 0 0 354.328 2.560 20 10 FFCDRN COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)c(F)c1 ZINC000779652274 738474592 /nfs/dbraw/zinc/47/45/92/738474592.db2.gz NEQACIRMPNXBEX-ZDUSSCGKSA-N 0 0 353.733 2.534 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC2([S@](C)=O)CC2)c1 ZINC000861527165 730619659 /nfs/dbraw/zinc/61/96/59/730619659.db2.gz LIUKRUDWTYPPQS-VWLOTQADSA-N 0 0 358.463 2.548 20 10 FFCDRN Cc1cn2c(n1)C[C@H](C(=O)NCc1cc(Br)ccc1O)CC2 ZINC000861687183 730634512 /nfs/dbraw/zinc/63/45/12/730634512.db2.gz KCSGSVXUCWVKSF-LLVKDONJSA-N 0 0 364.243 2.538 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3C[C@@]3(C)Br)C2)cc1 ZINC000862035163 730663280 /nfs/dbraw/zinc/66/32/80/730663280.db2.gz KQFQQJICMOUNKZ-ISTRZQFTSA-N 0 0 367.287 2.811 20 10 FFCDRN Cc1cc(CN2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)on1 ZINC000862215061 730677035 /nfs/dbraw/zinc/67/70/35/730677035.db2.gz FEDDVPDGUUEXBX-UHFFFAOYSA-N 0 0 350.413 2.645 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCN(c3ncccc3F)CC2)cc1F ZINC000862249688 730681922 /nfs/dbraw/zinc/68/19/22/730681922.db2.gz ZJVVXPUFGUUEOX-UHFFFAOYSA-N 0 0 350.388 2.887 20 10 FFCDRN CCOC(=O)[C@@H](NCc1cc(F)ccc1O)[C@@H](O)c1ccc(Cl)cc1 ZINC000862427768 730701298 /nfs/dbraw/zinc/70/12/98/730701298.db2.gz GGLJQVDYECMQAY-IRXDYDNUSA-N 0 0 367.804 2.940 20 10 FFCDRN CCCS(=O)(=O)Nc1cccc(C(=O)NCc2cc(C)ccc2O)c1 ZINC000862760738 730724059 /nfs/dbraw/zinc/72/40/59/730724059.db2.gz VGYLXMSNAMMFSS-UHFFFAOYSA-N 0 0 362.451 2.782 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H]3CC[C@@H](C2)[S@]3=O)c(C)n1-c1ccccn1 ZINC000863055040 730747579 /nfs/dbraw/zinc/74/75/79/730747579.db2.gz MVZOYCWFTRBEMZ-TWKFVSLJSA-N 0 0 357.479 2.615 20 10 FFCDRN Cc1cc(CNC(=O)[C@@H](C)[C@H](C)S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000863164720 730753569 /nfs/dbraw/zinc/75/35/69/730753569.db2.gz UBXJVXKIEVFMGN-HOCLYGCPSA-N 0 0 362.495 2.780 20 10 FFCDRN COc1ccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)cc1C(C)(C)C ZINC000864354837 730841000 /nfs/dbraw/zinc/84/10/00/730841000.db2.gz CCQLZAMMIDWMKA-MDWZMJQESA-N 0 0 364.492 2.679 20 10 FFCDRN CO[C@H](C[C@@H]([NH2+]Cc1c(O)cccc1Br)C(=O)[O-])C1CC1 ZINC000864516469 730855992 /nfs/dbraw/zinc/85/59/92/730855992.db2.gz NNYCLKMHRJPBOO-TZMCWYRMSA-N 0 0 358.232 2.513 20 10 FFCDRN Nc1c(Cl)cc(N2C(=O)N[C@H](C[C@@H]3CCCOC3)C2=O)cc1Cl ZINC000864558688 730860315 /nfs/dbraw/zinc/86/03/15/730860315.db2.gz YEIQPHOENLOPIY-QPUJVOFHSA-N 0 0 358.225 2.817 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CC3CSC3)cc2F)C[C@@H](C)O1 ZINC000864930785 730893027 /nfs/dbraw/zinc/89/30/27/730893027.db2.gz FTDDZSXTRYFQND-CHWSQXEVSA-N 0 0 352.475 2.809 20 10 FFCDRN Cc1cn(C2CCOCC2)nc1C(=O)NCCCSc1nccs1 ZINC000865782764 730997234 /nfs/dbraw/zinc/99/72/34/730997234.db2.gz FDWJHASUYKSPCE-UHFFFAOYSA-N 0 0 366.512 2.912 20 10 FFCDRN COc1ccc(N2CCN(c3ncc(C(F)F)cn3)CC2)c(OC)c1 ZINC000866138887 731034019 /nfs/dbraw/zinc/03/40/19/731034019.db2.gz QQVOZLASMUKIBF-UHFFFAOYSA-N 0 0 350.369 2.758 20 10 FFCDRN Cc1csc2nc(CC(=O)N3CCOc4cc(N(C)C)ccc43)cn12 ZINC000866206037 731040751 /nfs/dbraw/zinc/04/07/51/731040751.db2.gz ILTFHDFVOLPTHN-UHFFFAOYSA-N 0 0 356.451 2.738 20 10 FFCDRN C[C@H](NS(=O)(=O)C[C@H]1CCC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000866606442 731079654 /nfs/dbraw/zinc/07/96/54/731079654.db2.gz YPSMRBSZSWOVGN-DZGCQCFKSA-N 0 0 374.453 2.549 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)C[C@H]2CCC(F)(F)C2)cc1F ZINC000866671965 731086110 /nfs/dbraw/zinc/08/61/10/731086110.db2.gz FAWFVBLFKKVNNB-LBPRGKRZSA-N 0 0 350.406 2.747 20 10 FFCDRN CCO[C@@H]1COCC[C@H]1CC(=O)NCc1cccc(Br)c1O ZINC000867831318 731231576 /nfs/dbraw/zinc/23/15/76/731231576.db2.gz UTDFYTXNCFWGIM-SMDDNHRTSA-N 0 0 372.259 2.603 20 10 FFCDRN O=C(NCC[C@@H]1CCCS1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000868116734 731260487 /nfs/dbraw/zinc/26/04/87/731260487.db2.gz MPOXCHGBZBRWMD-HNNXBMFYSA-N 0 0 367.490 2.747 20 10 FFCDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000919724722 737874342 /nfs/dbraw/zinc/87/43/42/737874342.db2.gz ALUKDBIWFLHCIS-HZPDHXFCSA-N 0 0 351.516 2.599 20 10 FFCDRN C[C@@H](NC(=O)NCCCn1cc(Br)cn1)c1ccccc1O ZINC000868615200 731311544 /nfs/dbraw/zinc/31/15/44/731311544.db2.gz CCZUAJTWTIRVOP-LLVKDONJSA-N 0 0 367.247 2.802 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCCn2nccc21 ZINC000869219628 731376131 /nfs/dbraw/zinc/37/61/31/731376131.db2.gz ZRICMYZALABZNJ-GFCCVEGCSA-N 0 0 365.231 2.686 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000871909090 731699358 /nfs/dbraw/zinc/69/93/58/731699358.db2.gz VUNCFHLFUSTSHL-HZUKXOBISA-N 0 0 364.829 2.767 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)N[C@@H]1COC[C@H]1C ZINC000926003925 738556389 /nfs/dbraw/zinc/55/63/89/738556389.db2.gz OQWWNEXODNNCRI-ZWNOBZJWSA-N 0 0 357.248 2.721 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)N1CC=CC1 ZINC000875106552 732128681 /nfs/dbraw/zinc/12/86/81/732128681.db2.gz VFZZBKCJESAFLD-UHFFFAOYSA-N 0 0 355.360 2.623 20 10 FFCDRN Cc1cc(Br)cc(CNc2cccc(S(N)(=O)=O)c2)c1O ZINC000780897041 738586442 /nfs/dbraw/zinc/58/64/42/738586442.db2.gz UUKKDBMTSKQHIK-UHFFFAOYSA-N 0 0 371.256 2.723 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000876950136 732301947 /nfs/dbraw/zinc/30/19/47/732301947.db2.gz GFITWVLLZOQMAH-LLVKDONJSA-N 0 0 370.421 2.772 20 10 FFCDRN C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877505150 732375380 /nfs/dbraw/zinc/37/53/80/732375380.db2.gz XODYSRAFKBXDHE-GFCCVEGCSA-N 0 0 370.421 2.517 20 10 FFCDRN Cc1ccc(CNc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)c(O)c1 ZINC000877514675 732377481 /nfs/dbraw/zinc/37/74/81/732377481.db2.gz SQUVDDRTJWCNHU-UHFFFAOYSA-N 0 0 363.483 2.629 20 10 FFCDRN [O-]c1c(C[NH2+]Cc2ccncc2OC[C@@H]2CCOC2)ccc(F)c1F ZINC000877534204 732382795 /nfs/dbraw/zinc/38/27/95/732382795.db2.gz BCZBUAORNVNOOO-GFCCVEGCSA-N 0 0 350.365 2.771 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCC[C@@H](OC(F)F)C2)c([N+](=O)[O-])c1 ZINC000781396160 738623908 /nfs/dbraw/zinc/62/39/08/738623908.db2.gz JKXXDZOBWSVRTF-SMYYYNMVSA-N 0 0 356.325 2.989 20 10 FFCDRN COC(=O)[C@@H]1CCCCCN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000781526183 738634233 /nfs/dbraw/zinc/63/42/33/738634233.db2.gz CVVWDVMVRBSINM-SFHVURJKSA-N 0 0 350.434 2.580 20 10 FFCDRN Cc1cc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)ccc1N1CCCCC1 ZINC000879935790 732805585 /nfs/dbraw/zinc/80/55/85/732805585.db2.gz BYSHFGPDMAZXLZ-RTBURBONSA-N 0 0 362.539 2.852 20 10 FFCDRN COCCc1noc(CN(C)Cc2cc(C)cc(Br)c2O)n1 ZINC000781913978 738672030 /nfs/dbraw/zinc/67/20/30/738672030.db2.gz UXYBJFKJGVKXQX-UHFFFAOYSA-N 0 0 370.247 2.667 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC[C@@H]2CCCS2(=O)=O)cc1 ZINC000881889588 733128207 /nfs/dbraw/zinc/12/82/07/733128207.db2.gz DXTUCRHHDWXNLF-SFHVURJKSA-N 0 0 360.479 2.791 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)CC[C@H]2CC2(Cl)Cl)c1 ZINC000881919131 733136291 /nfs/dbraw/zinc/13/62/91/733136291.db2.gz JZPCRGYDHHLNRD-UWVGGRQHSA-N 0 0 368.282 2.965 20 10 FFCDRN C[C@@H](NS(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccccc1O ZINC000882502171 733235415 /nfs/dbraw/zinc/23/54/15/733235415.db2.gz JNWDJLFKLVHNJJ-VERVWZFWSA-N 0 0 360.501 2.718 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000883121943 733338420 /nfs/dbraw/zinc/33/84/20/733338420.db2.gz WEKRLMZGIHAYGB-BBRMVZONSA-N 0 0 368.202 2.878 20 10 FFCDRN COC[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C1CCOCC1 ZINC000883165419 733345366 /nfs/dbraw/zinc/34/53/66/733345366.db2.gz DTTUYBFQNPSPBV-CQSZACIVSA-N 0 0 362.239 2.825 20 10 FFCDRN C[C@H](NC(=O)NCCc1ccns1)c1ccc(N2CCOCC2)cc1 ZINC000883207888 733351044 /nfs/dbraw/zinc/35/10/44/733351044.db2.gz VGZSSLWOFIGPJA-AWEZNQCLSA-N 0 0 360.483 2.583 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCCc3ccns3)CC2)cc1 ZINC000883291748 733360928 /nfs/dbraw/zinc/36/09/28/733360928.db2.gz QNJKCFXJBPASMI-UHFFFAOYSA-N 0 0 360.483 2.662 20 10 FFCDRN C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)c1cc(F)cc(F)c1[O-] ZINC000883300645 733363870 /nfs/dbraw/zinc/36/38/70/733363870.db2.gz CZQKUKBRQOVVDG-SNVBAGLBSA-N 0 0 362.442 2.572 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H]1CC[C@@H](O)[C@@H](O)CC1 ZINC000886262623 733767330 /nfs/dbraw/zinc/76/73/30/733767330.db2.gz WDMWXZLVZHRFRM-UOJUARBOSA-N 0 0 364.667 2.562 20 10 FFCDRN CO[C@H](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000782739715 738753081 /nfs/dbraw/zinc/75/30/81/738753081.db2.gz RQZFHOSVKADWOW-CZUORRHYSA-N 0 0 354.878 2.941 20 10 FFCDRN NC(=O)C1CCC([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708056492 734362498 /nfs/dbraw/zinc/36/24/98/734362498.db2.gz LSNZOYHMBAKWCY-UHFFFAOYSA-N 0 0 361.667 2.942 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](COC)[C@H]1CCCOC1 ZINC000891188093 734392601 /nfs/dbraw/zinc/39/26/01/734392601.db2.gz YWFVQGDPXMZIEJ-DLBZAZTESA-N 0 0 350.459 2.755 20 10 FFCDRN CCn1cc(NC(=S)N(C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000726123201 734408519 /nfs/dbraw/zinc/40/85/19/734408519.db2.gz GPSHKQYHAXGPKM-UHFFFAOYSA-N 0 0 359.499 2.568 20 10 FFCDRN COc1c(Cl)cc(NC(=O)C(=O)NCc2ccccc2O)cc1Cl ZINC000726294501 734418337 /nfs/dbraw/zinc/41/83/37/734418337.db2.gz YIOSYXKLLJMLGF-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN CC(=O)NCCc1ccc(C(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)cc1 ZINC000783608841 738819388 /nfs/dbraw/zinc/81/93/88/738819388.db2.gz SSZZPCZKCCELGJ-NSHDSACASA-N 0 0 361.419 2.561 20 10 FFCDRN COc1ccc(N2CCCN(c3ccc(OC(F)F)nn3)CC2)cc1 ZINC000891934737 734496989 /nfs/dbraw/zinc/49/69/89/734496989.db2.gz WBJVESQXZGXABR-UHFFFAOYSA-N 0 0 350.369 2.803 20 10 FFCDRN COc1ccc(N2CCCN(c3nc(Cl)nc4nc[nH]c43)CC2)cc1 ZINC000891933509 734497045 /nfs/dbraw/zinc/49/70/45/734497045.db2.gz IEPRNIOVYKYUMC-UHFFFAOYSA-N 0 0 358.833 2.732 20 10 FFCDRN CCCN(CCC)C(=O)CCC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000729529461 734582438 /nfs/dbraw/zinc/58/24/38/734582438.db2.gz YUGOQHFWECSURT-UHFFFAOYSA-N 0 0 351.466 2.937 20 10 FFCDRN COc1cc(C)[nH]c(=NNC(=S)Nc2ccc(Br)cc2)n1 ZINC000783742943 738831560 /nfs/dbraw/zinc/83/15/60/738831560.db2.gz XSUVXSVWRWEQAA-UHFFFAOYSA-N 0 0 368.260 2.870 20 10 FFCDRN O=C(NCC[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(F)cc1 ZINC000731452548 734679448 /nfs/dbraw/zinc/67/94/48/734679448.db2.gz CUGZSXQKPHKUHL-UHFFFAOYSA-N 0 0 367.764 2.613 20 10 FFCDRN O=C(NCc1cccc(C(=O)NCc2ccco2)c1)C1=CC(=O)CS1 ZINC000732273866 734729431 /nfs/dbraw/zinc/72/94/31/734729431.db2.gz DZOIZSRPSCXNGO-UHFFFAOYSA-N 0 0 356.403 2.907 20 10 FFCDRN CC(C)c1ccc(OCCNC(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC000732353999 734736897 /nfs/dbraw/zinc/73/68/97/734736897.db2.gz YEZQYGVQUCXCNU-UHFFFAOYSA-N 0 0 363.435 2.929 20 10 FFCDRN COc1ccc(CN(C)C(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)cc1F ZINC000732353199 734736985 /nfs/dbraw/zinc/73/69/85/734736985.db2.gz NUKNEOVONOOPFI-JTQLQIEISA-N 0 0 367.398 2.805 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1OC(F)F ZINC000734220893 734884088 /nfs/dbraw/zinc/88/40/88/734884088.db2.gz CCDCXFCDDZFVHL-UHFFFAOYSA-N 0 0 350.321 2.557 20 10 FFCDRN CS[C@H](C)CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894594359 734884624 /nfs/dbraw/zinc/88/46/24/734884624.db2.gz HVPALSIEEOGBJX-CQSZACIVSA-N 0 0 363.527 2.536 20 10 FFCDRN Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000734496066 734899232 /nfs/dbraw/zinc/89/92/32/734899232.db2.gz VOSBYHLQSXVXJE-UHFFFAOYSA-N 0 0 368.478 2.764 20 10 FFCDRN C[C@H]1C[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CO1 ZINC000784097223 738860802 /nfs/dbraw/zinc/86/08/02/738860802.db2.gz WQSSKJZXYXSWOM-STQMWFEESA-N 0 0 354.397 2.798 20 10 FFCDRN Cc1cc(CC(=O)NCC[S@@](C)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000735052260 734926730 /nfs/dbraw/zinc/92/67/30/734926730.db2.gz VIKWKDUSQJHBAY-HSZRJFAPSA-N 0 0 352.887 2.785 20 10 FFCDRN COCCCCCSCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000735084707 734928415 /nfs/dbraw/zinc/92/84/15/734928415.db2.gz QPQVBHNEHQGENI-UHFFFAOYSA-N 0 0 366.527 2.894 20 10 FFCDRN O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3[O-])C[C@@H]2C1)C(F)(F)F 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CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C)ccc1F ZINC000740705901 735082125 /nfs/dbraw/zinc/08/21/25/735082125.db2.gz OZIVKJKGZCRVSQ-UHFFFAOYSA-N 0 0 353.371 2.817 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCC([C@@]3(C)COC(=O)N3)CC2)cc1F ZINC000896471617 735166818 /nfs/dbraw/zinc/16/68/18/735166818.db2.gz QYZZFBBYHUUBLY-GOSISDBHSA-N 0 0 353.413 2.741 20 10 FFCDRN O=C(COC(=O)c1cnc(-c2cccnc2)s1)c1ccc(O)c(O)c1 ZINC000784425415 738890593 /nfs/dbraw/zinc/89/05/93/738890593.db2.gz FAGXPEYTGGEPFK-UHFFFAOYSA-N 0 0 356.359 2.656 20 10 FFCDRN O=C1NCCC2(CC[NH+](Cc3cccc(Br)c3[O-])CC2)O1 ZINC000897018189 735192117 /nfs/dbraw/zinc/19/21/17/735192117.db2.gz HZHQRCODRYTJRE-UHFFFAOYSA-N 0 0 355.232 2.619 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC([C@@H]3COC(=O)N3)CC2)c1 ZINC000897022127 735192286 /nfs/dbraw/zinc/19/22/86/735192286.db2.gz DHIJKHWFKAUHST-AWEZNQCLSA-N 0 0 369.259 2.784 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@]12CCCO2 ZINC000897390878 735227948 /nfs/dbraw/zinc/22/79/48/735227948.db2.gz 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CSC[C@H](C)C(=O)Nc1ccc(O)c(CNC(=O)[C@H](C)CSC)c1 ZINC000923122552 738243365 /nfs/dbraw/zinc/24/33/65/738243365.db2.gz POBQJXRIZYWMIL-NEPJUHHUSA-N 0 0 370.540 2.945 20 10 FFCDRN CSC[C@H](C)C(=O)NCc1cc(NC(=O)[C@H](C)CSC)ccc1O ZINC000923122553 738243397 /nfs/dbraw/zinc/24/33/97/738243397.db2.gz POBQJXRIZYWMIL-NWDGAFQWSA-N 0 0 370.540 2.945 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3cnc(Cl)s3)C2)cc1 ZINC000923187436 738252279 /nfs/dbraw/zinc/25/22/79/738252279.db2.gz NASVFYQZJKNZFI-NSHDSACASA-N 0 0 366.874 2.883 20 10 FFCDRN C[C@H](C(=O)NC(C)(C)C)N(C)C(=O)NCCCSc1nccs1 ZINC000777246588 738274692 /nfs/dbraw/zinc/27/46/92/738274692.db2.gz JULOEEPWKKVXIG-LLVKDONJSA-N 0 0 358.533 2.570 20 10 FFCDRN O=C(NCc1c(O)cccc1F)C1CCC(OC[C@@H]2CCCO2)CC1 ZINC000928706168 738897680 /nfs/dbraw/zinc/89/76/80/738897680.db2.gz OMCNEUVLLSYKAC-NRXISQOPSA-N 0 0 351.418 2.902 20 10 FFCDRN COc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(Cl)c1O ZINC000785629912 738983681 /nfs/dbraw/zinc/98/36/81/738983681.db2.gz 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Cc1cc(Br)c([O-])c(C[NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)c1 ZINC000790617843 739475577 /nfs/dbraw/zinc/47/55/77/739475577.db2.gz CZHDTMUXACLRDA-OCCSQVGLSA-N 0 0 360.292 2.711 20 10 FFCDRN C[C@@H]1OCC[C@]12C[N@H+](Cc1cccc(Br)c1[O-])C[C@@H](C)O2 ZINC000790930630 739515116 /nfs/dbraw/zinc/51/51/16/739515116.db2.gz BETHSBFCZJFEBG-WQGACYEGSA-N 0 0 356.260 2.923 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]([C@H]2CCOC2)C(F)(F)F)c1 ZINC000933018133 739558984 /nfs/dbraw/zinc/55/89/84/739558984.db2.gz PLVWEDBCXYRKPQ-PKFCDNJMSA-N 0 0 362.348 2.728 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCC(N3CCCOC3=O)CC2)c1O ZINC000933619204 739662907 /nfs/dbraw/zinc/66/29/07/739662907.db2.gz NQHVEETUTSVEFS-UHFFFAOYSA-N 0 0 350.390 2.541 20 10 FFCDRN COC(=O)C[C@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCO1 ZINC000792828418 739710610 /nfs/dbraw/zinc/71/06/10/739710610.db2.gz VFXRGIQXKUWMIO-AWEZNQCLSA-N 0 0 360.376 2.535 20 10 FFCDRN CC[C@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCOC2)O1 ZINC000793362548 739773822 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C[C@@H]1C[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)[C@@H](C)O1 ZINC000842263232 747559687 /nfs/dbraw/zinc/55/96/87/747559687.db2.gz KNQLRUJPRSNHMC-UTUOFQBUSA-N 0 0 352.818 2.623 20 10 FFCDRN Cc1cccc2c1sc(=O)n2CC(=O)NCc1ccc(N(C)C)cc1 ZINC000842589834 747633592 /nfs/dbraw/zinc/63/35/92/747633592.db2.gz GMIVGPUIGMKVIA-UHFFFAOYSA-N 0 0 355.463 2.754 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3cn(C)nc3Cl)C2)cc1 ZINC000842874249 747711738 /nfs/dbraw/zinc/71/17/38/747711738.db2.gz MBSZMSBOTWZQEF-CYBMUJFWSA-N 0 0 363.845 2.694 20 10 FFCDRN O=C([O-])CC[N@@H+](Cc1cc(Br)ccc1O)C1CCOCC1 ZINC000843041810 747754574 /nfs/dbraw/zinc/75/45/74/747754574.db2.gz WHQLHAVTYPLIAE-UHFFFAOYSA-N 0 0 358.232 2.610 20 10 FFCDRN COc1cccc(CNC(=O)C[C@H](C)n2cc(Br)cn2)c1O ZINC000843832457 747906892 /nfs/dbraw/zinc/90/68/92/747906892.db2.gz NEAYJTZXTXGDFX-JTQLQIEISA-N 0 0 368.231 2.627 20 10 FFCDRN CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000844148811 747979065 /nfs/dbraw/zinc/97/90/65/747979065.db2.gz FTFYMNKYLLSOTG-UHFFFAOYSA-N 0 0 353.390 2.821 20 10 FFCDRN COC1(C[C@@H]2NC(=O)N(c3cc(Cl)c(N)c(Cl)c3)C2=O)CCC1 ZINC000844293686 747998500 /nfs/dbraw/zinc/99/85/00/747998500.db2.gz ZFQFODQSOMMIQE-NSHDSACASA-N 0 0 358.225 2.960 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCCc2nc(C)cs2)cc1 ZINC000844887653 748125302 /nfs/dbraw/zinc/12/53/02/748125302.db2.gz YPRUJIPIMLELAL-UHFFFAOYSA-N 0 0 362.499 2.780 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCC[C@@]1(O)CCCOC1 ZINC000845720925 748313839 /nfs/dbraw/zinc/31/38/39/748313839.db2.gz WKZNITZUZSISAS-IBGZPJMESA-N 0 0 350.459 2.636 20 10 FFCDRN CO[C@H](Cc1ccccc1)CS(=O)(=O)NCc1cc(Cl)ccc1O ZINC000845995433 748378208 /nfs/dbraw/zinc/37/82/08/748378208.db2.gz BRVBNTTUPUNYDD-MRXNPFEDSA-N 0 0 369.870 2.723 20 10 FFCDRN CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)c1C ZINC000846121627 748411756 /nfs/dbraw/zinc/41/17/56/748411756.db2.gz KYEACPFTLNOYKL-JTQLQIEISA-N 0 0 364.833 2.776 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)CC(C)(C)COC(C)=O)cc1 ZINC000846441936 748480244 /nfs/dbraw/zinc/48/02/44/748480244.db2.gz GMLRMPRNNPUFBG-UHFFFAOYSA-N 0 0 350.459 2.569 20 10 FFCDRN CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473200 748487763 /nfs/dbraw/zinc/48/77/63/748487763.db2.gz RAXRTUPZOIGUTB-CYBMUJFWSA-N 0 0 370.902 3.000 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000846474081 748488452 /nfs/dbraw/zinc/48/84/52/748488452.db2.gz YJODDZQOGQBTOR-UHFFFAOYSA-N 0 0 365.861 2.590 20 10 FFCDRN Cc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Br)s1 ZINC000847696201 748760921 /nfs/dbraw/zinc/76/09/21/748760921.db2.gz MUSSSKFCHKOMJM-SSDOTTSWSA-N 0 0 371.256 2.986 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@H]1CCc2c(nnn2C)C1 ZINC000848310980 748897878 /nfs/dbraw/zinc/89/78/78/748897878.db2.gz VUZIJJXHAXWSDW-ZDUSSCGKSA-N 0 0 355.467 2.571 20 10 FFCDRN COc1cc(Br)cc([C@@H](C)N[C@H](C)c2ncnn2C)c1O ZINC000848548306 748956628 /nfs/dbraw/zinc/95/66/28/748956628.db2.gz YXDSNGDITYCMTE-RKDXNWHRSA-N 0 0 355.236 2.704 20 10 FFCDRN CCn1ncnc1CN[C@@H](C)c1cc(Br)cc(OC)c1O ZINC000848549573 748957508 /nfs/dbraw/zinc/95/75/08/748957508.db2.gz RFEKTSACXRYHBA-VIFPVBQESA-N 0 0 355.236 2.626 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000848565502 748962322 /nfs/dbraw/zinc/96/23/22/748962322.db2.gz XOALSOIPBFPERB-WCBMZHEXSA-N 0 0 369.238 2.630 20 10 FFCDRN COc1cccc(O)c1CN[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F ZINC000848568446 748962381 /nfs/dbraw/zinc/96/23/81/748962381.db2.gz ITCXPTNDEMTUJP-ZDUSSCGKSA-N 0 0 364.364 2.946 20 10 FFCDRN COC(=O)C(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000849308041 749096135 /nfs/dbraw/zinc/09/61/35/749096135.db2.gz LXAFKUWKAYMHQN-UHFFFAOYSA-N 0 0 363.435 2.952 20 10 FFCDRN CCOC(=O)N1CCN(C(=O)[C@@H](C)Sc2ncc(Cl)s2)CC1 ZINC000849998238 749280009 /nfs/dbraw/zinc/28/00/09/749280009.db2.gz CBXBSXHQLKMYSU-SECBINFHSA-N 0 0 363.892 2.578 20 10 FFCDRN CN(C)c1ccc(CNc2cccc(CN3CCCS3(=O)=O)c2)cc1 ZINC000850342133 749345061 /nfs/dbraw/zinc/34/50/61/749345061.db2.gz IRGYMRXLQKCANS-UHFFFAOYSA-N 0 0 359.495 2.900 20 10 FFCDRN COc1cc(Br)cc(CN[C@H]2C[C@H](C)n3ncnc32)c1O ZINC000850351713 749349661 /nfs/dbraw/zinc/34/96/61/749349661.db2.gz GYPOVRBWLFUZNI-KWQFWETISA-N 0 0 353.220 2.550 20 10 FFCDRN COc1ccnc(CNCc2cc(Br)cc(OC)c2O)c1F ZINC000850380505 749356003 /nfs/dbraw/zinc/35/60/03/749356003.db2.gz HOGLOCXYAZIUPS-UHFFFAOYSA-N 0 0 371.206 2.996 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2nnc(C(F)(F)F)s2)cc1 ZINC000851925621 749728236 /nfs/dbraw/zinc/72/82/36/749728236.db2.gz XWLOCXXDHUKJMR-UHFFFAOYSA-N 0 0 361.345 2.745 20 10 FFCDRN CCSC1(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000851990082 749744260 /nfs/dbraw/zinc/74/42/60/749744260.db2.gz NZDIGQAYZNXTCX-UHFFFAOYSA-N 0 0 367.490 2.747 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@]12OCCC[C@H]1C2(F)F ZINC000852573697 749893533 /nfs/dbraw/zinc/89/35/33/749893533.db2.gz GNRZYEOWOXQVLZ-WBVHZDCISA-N 0 0 353.413 2.675 20 10 FFCDRN Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000852596181 749900155 /nfs/dbraw/zinc/90/01/55/749900155.db2.gz IZGPUSVDADVUCH-CJNGLKHVSA-N 0 0 362.861 2.990 20 10 FFCDRN CCOC(=O)c1cnc(N2CCN(c3ccc(OC)c(F)c3)CC2)s1 ZINC000853435966 750058971 /nfs/dbraw/zinc/05/89/71/750058971.db2.gz OSEUIYJIRJPDTJ-UHFFFAOYSA-N 0 0 365.430 2.794 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCO[C@@H](CC(F)(F)F)C1 ZINC000853858528 750183491 /nfs/dbraw/zinc/18/34/91/750183491.db2.gz OBCMFTXZDQTLQL-JTQLQIEISA-N 0 0 369.434 2.988 20 10 FFCDRN Cc1cc(CC(=O)OC[C@@H](C)CS(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000853934055 750203319 /nfs/dbraw/zinc/20/33/19/750203319.db2.gz NLIFBBPWZHYNBM-CQSZACIVSA-N 0 0 363.479 2.861 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3C[C@H](O)C3)cc2Cl)C1 ZINC000854038379 750230186 /nfs/dbraw/zinc/23/01/86/750230186.db2.gz DRVCZIZDMYJBRH-BPLDGKMQSA-N 0 0 351.878 2.899 20 10 FFCDRN O=C([O-])CCC1CC[NH+](Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000854240678 750267482 /nfs/dbraw/zinc/26/74/82/750267482.db2.gz CKPZAMZVLOZYHG-UHFFFAOYSA-N 0 0 350.434 2.739 20 10 FFCDRN C[C@H]1CCc2ccccc2N1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000854322836 750282920 /nfs/dbraw/zinc/28/29/20/750282920.db2.gz JFOWMVKYXCSFIS-LBPRGKRZSA-N 0 0 360.435 2.745 20 10 FFCDRN O=C(Cc1cc(C2CC2)no1)NCc1cc(Br)ccc1O ZINC000854442016 750309099 /nfs/dbraw/zinc/30/90/99/750309099.db2.gz DAGOGZTYELWWJV-UHFFFAOYSA-N 0 0 351.200 2.879 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000855022881 750411115 /nfs/dbraw/zinc/41/11/15/750411115.db2.gz LOZOGBHEQBPEJW-RYUDHWBXSA-N 0 0 367.751 2.646 20 10 FFCDRN O=C(CSC(F)(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055524203 845331049 /nfs/dbraw/zinc/33/10/49/845331049.db2.gz GLZWCBRTJVGNNM-UHFFFAOYSA-N 0 0 352.353 2.532 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1 ZINC000055639189 845335218 /nfs/dbraw/zinc/33/52/18/845335218.db2.gz SWALQRJRBGVFCC-UHFFFAOYSA-N 0 0 368.480 2.866 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1C ZINC000055668545 845335897 /nfs/dbraw/zinc/33/58/97/845335897.db2.gz IAPUTPRQXYJBKN-UHFFFAOYSA-N 0 0 354.453 2.557 20 10 FFCDRN Cc1noc(C)c1NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000728739563 970858547 /nfs/dbraw/zinc/85/85/47/970858547.db2.gz RTRUJZVAASBKIA-UHFFFAOYSA-N 0 0 362.405 2.713 20 10 FFCDRN O=[N+]([O-])c1cc(CN2CCc3ncncc3C2)ccc1N1CCCCC1 ZINC000895723264 970892648 /nfs/dbraw/zinc/89/26/48/970892648.db2.gz TXSSLWYHGVMPHK-UHFFFAOYSA-N 0 0 353.426 2.933 20 10 FFCDRN Cc1cnc2c(C(=O)N(Cc3ccccc3O)C[C@H]3CCCO3)cnn2c1 ZINC000896270325 971389854 /nfs/dbraw/zinc/38/98/54/971389854.db2.gz OVKRBJJTVRXGLC-MRXNPFEDSA-N 0 0 366.421 2.565 20 10 FFCDRN COc1cc(N(C)Cc2cccc(-c3nn[nH]n3)c2F)cc(OC)c1OC ZINC000826180333 947557757 /nfs/dbraw/zinc/55/77/57/947557757.db2.gz CFSBUQFNAVUUIY-UHFFFAOYSA-N 0 0 373.388 2.668 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)C(=O)O1 ZINC000896335010 971425590 /nfs/dbraw/zinc/42/55/90/971425590.db2.gz UWCWABDMQMQXMU-KSSFIOAISA-N 0 0 371.437 2.761 20 10 FFCDRN COC(=O)c1ccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840554879 971556018 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COc1ccc(N(Cc2cccs2)Cc2nc(N)nc(N(C)C)n2)cc1 ZINC000083170376 961556473 /nfs/dbraw/zinc/55/64/73/961556473.db2.gz JGBRQZSBKQWJSM-UHFFFAOYSA-N 0 0 370.482 2.797 20 10 FFCDRN Cc1cc(C(=O)OCC(=O)N2CCO[C@H](C)C2)c(C)n1-c1cccc(C)c1 ZINC000010558052 1013326443 /nfs/dbraw/zinc/32/64/43/1013326443.db2.gz LKTBKVNOCREOFR-MRXNPFEDSA-N 0 0 370.449 2.807 20 10 FFCDRN C[C@H](NC(=O)N[C@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1 ZINC000773421476 1013335900 /nfs/dbraw/zinc/33/59/00/1013335900.db2.gz DRWBSPAMLOACDE-RDJZCZTQSA-N 0 0 353.470 2.787 20 10 FFCDRN COC(C)(C)CN1CC[C@@]2(CCC[N@@H+]2Cc2c([O-])cccc2F)C1=O ZINC001276038130 1013348949 /nfs/dbraw/zinc/34/89/49/1013348949.db2.gz RRBUWLDWYBDLQT-IBGZPJMESA-N 0 0 350.434 2.523 20 10 FFCDRN Cc1ncccc1/C=C/C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249236 962581900 /nfs/dbraw/zinc/58/19/00/962581900.db2.gz POUYDXGYYMWSFG-XEDBTPMOSA-N 0 0 352.482 2.888 20 10 FFCDRN CC[C@@H]1CN(C(=O)/C=C\c2cncc(C(=O)NC)c2)c2ccccc2O1 ZINC000255204293 962731440 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FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc(OCC2CC2)cn1 ZINC000793458020 1003388517 /nfs/dbraw/zinc/38/85/17/1003388517.db2.gz PARVNXZXRRSFBK-UHFFFAOYSA-N 0 0 354.454 2.994 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCCc2c(C)[nH][nH]c2=O)c1 ZINC001186849698 1003435012 /nfs/dbraw/zinc/43/50/12/1003435012.db2.gz OINZRDIYDXKCOH-UHFFFAOYSA-N 0 0 354.410 2.509 20 10 FFCDRN CC(C)(C)OC(=O)c1ccc(C(=O)NCCc2cc(O)c(O)cc2O)cc1 ZINC001186870097 1003447785 /nfs/dbraw/zinc/44/77/85/1003447785.db2.gz XLQAXLMXXDWDPI-UHFFFAOYSA-N 0 0 373.405 2.731 20 10 FFCDRN C[C@@]1(NC(=O)c2cccc(O)c2O)CCN(C(=O)OCc2ccccc2)C1 ZINC000794224387 1003585517 /nfs/dbraw/zinc/58/55/17/1003585517.db2.gz TVBYCUQQNOHXKI-HXUWFJFHSA-N 0 0 370.405 2.629 20 10 FFCDRN COc1ccc(CNC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)c(O)c1 ZINC000794376933 1003619774 /nfs/dbraw/zinc/61/97/74/1003619774.db2.gz MXJJPLMQAKXPIN-UHFFFAOYSA-N 0 0 366.421 2.798 20 10 FFCDRN COc1ccc(CNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)c(O)c1 ZINC000794376167 1003619840 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CCOC(=O)c1nc(NCc2cccc(OC)c2O)cc(C(C)(C)C)n1 ZINC000804425133 1003658093 /nfs/dbraw/zinc/65/80/93/1003658093.db2.gz SGVFXCIOOCGSBC-UHFFFAOYSA-N 0 0 359.426 2.699 20 10 FFCDRN CC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nc(C)cs1 ZINC000804888086 1003899001 /nfs/dbraw/zinc/89/90/01/1003899001.db2.gz QXWWIWVDACTQQZ-BBRMVZONSA-N 0 0 374.510 2.962 20 10 FFCDRN Cn1c(Br)ccc1C(=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001191610115 1003905152 /nfs/dbraw/zinc/90/51/52/1003905152.db2.gz LEWMROIKKAQPHD-UHFFFAOYSA-N 0 0 365.227 2.787 20 10 FFCDRN Cc1nc(Cl)cc(Cl)c1C(=O)NCCc1cc(O)c(O)cc1O ZINC001196694683 1003916828 /nfs/dbraw/zinc/91/68/28/1003916828.db2.gz QAILOTMHUQQGRA-UHFFFAOYSA-N 0 0 357.193 2.786 20 10 FFCDRN CCOC(=O)C[C@@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)=O ZINC000805390609 1004006639 /nfs/dbraw/zinc/00/66/39/1004006639.db2.gz MJWNIUBQBWKJFT-MRXNPFEDSA-N 0 0 358.394 2.557 20 10 FFCDRN O=C(NCCc1cc(O)c(O)cc1O)c1c[nH]c(-c2ccc(F)cc2)c1 ZINC001196971225 1004015943 /nfs/dbraw/zinc/01/59/43/1004015943.db2.gz 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C[C@@H]1CN(c2ccc(CNC(=O)c3cccc(O)c3O)cc2F)C[C@H](C)O1 ZINC000776341396 1005377466 /nfs/dbraw/zinc/37/74/66/1005377466.db2.gz QGGHYPCEVHXZLE-BETUJISGSA-N 0 0 374.412 2.781 20 10 FFCDRN COc1cccc(CNC(=O)c2c(C(F)(F)F)nc3ccccn32)c1O ZINC001545684503 1005544616 /nfs/dbraw/zinc/54/46/16/1005544616.db2.gz ZDMAPGMUFDMQOV-UHFFFAOYSA-N 0 0 365.311 2.997 20 10 FFCDRN COc1ccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1F ZINC000007104454 1005750197 /nfs/dbraw/zinc/75/01/97/1005750197.db2.gz UHVPFKKRISFIOH-UHFFFAOYSA-N 0 0 374.412 2.716 20 10 FFCDRN COc1cc(C[NH2+]Cc2nnc([C@H]3CCCO3)[n-]2)c(O)c(C(C)(C)C)c1 ZINC000850339356 1005808728 /nfs/dbraw/zinc/80/87/28/1005808728.db2.gz QAPIQANHIWKIPK-OAHLLOKOSA-N 0 0 360.458 2.958 20 10 FFCDRN CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000850535968 1005820845 /nfs/dbraw/zinc/82/08/45/1005820845.db2.gz FUSSMHQLBZWOKM-MRXNPFEDSA-N 0 0 367.449 2.591 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@@H](CCF)C1 ZINC000850601870 1005825027 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Cc1ccc(C(=O)N2CCN(Cc3cccc(Cl)c3)C(=O)C2)c(O)c1O ZINC000780966586 1028900544 /nfs/dbraw/zinc/90/05/44/1028900544.db2.gz JICGQBSOSKZWOC-UHFFFAOYSA-N 0 0 374.824 2.544 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2C)c(O)c1O ZINC000780986255 1028914922 /nfs/dbraw/zinc/91/49/22/1028914922.db2.gz LGOWWXMARSAYGR-OLZOCXBDSA-N 0 0 364.442 2.924 20 10 FFCDRN COC(=O)c1ccc2c(c1)ncnc2N1CCCc2cc(O)c(O)cc2C1 ZINC001155932782 1028978326 /nfs/dbraw/zinc/97/83/26/1028978326.db2.gz DKNYENKBGNMSPC-UHFFFAOYSA-N 0 0 365.389 2.780 20 10 FFCDRN CN(C)C(=O)c1cnc(N2CCCc3cc(O)c(O)cc3C2)c(Cl)c1 ZINC001155944235 1028985702 /nfs/dbraw/zinc/98/57/02/1028985702.db2.gz AAYUBYWJGNXSDY-UHFFFAOYSA-N 0 0 361.829 2.801 20 10 FFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1nnc2c(F)cccn12 ZINC001156339879 1029155492 /nfs/dbraw/zinc/15/54/92/1029155492.db2.gz WPKMANDBOYUOPP-UHFFFAOYSA-N 0 0 371.759 2.706 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H](C)Cc2ccc(OC)c(OC)c2)c1O ZINC000781349422 1029158782 /nfs/dbraw/zinc/15/87/82/1029158782.db2.gz CKWISSBGSJYUGY-ZDUSSCGKSA-N 0 0 359.422 2.913 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)[C@@H]3CCC(C)(C)C3)CC2)cc1 ZINC000781613440 1029305241 /nfs/dbraw/zinc/30/52/41/1029305241.db2.gz BBZGUZWVUPCGNM-QGZVFWFLSA-N 0 0 359.514 2.760 20 10 FFCDRN C[C@@H]1CN(c2ccc(C(=O)NCc3c(O)cccc3O)cc2)C[C@H](C)O1 ZINC001156885429 1029390678 /nfs/dbraw/zinc/39/06/78/1029390678.db2.gz DMXLXQVAPVSFCL-OKILXGFUSA-N 0 0 356.422 2.641 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@]1(C2CCCC2)CCNC1=O ZINC001157042073 1029449068 /nfs/dbraw/zinc/44/90/68/1029449068.db2.gz VYGIYUWUXDENKW-OAQYLSRUSA-N 0 0 352.434 2.858 20 10 FFCDRN CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157049733 1029450888 /nfs/dbraw/zinc/45/08/88/1029450888.db2.gz DARRYOJKGAXKGK-KRWDZBQOSA-N 0 0 374.437 2.701 20 10 FFCDRN CCOC(=O)c1ccc2ncnc(NCCc3cc(O)c(O)cc3O)c2c1 ZINC001157245434 1029519832 /nfs/dbraw/zinc/51/98/32/1029519832.db2.gz AIQKFRIIUSVLFZ-UHFFFAOYSA-N 0 0 369.377 2.578 20 10 FFCDRN COC(=O)c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(OC)c1 ZINC000782076674 1029557306 /nfs/dbraw/zinc/55/73/06/1029557306.db2.gz GEUSEBAZEVOJOL-UHFFFAOYSA-N 0 0 357.410 2.870 20 10 FFCDRN COC(=O)CCC(=O)COC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000782087948 1029566270 /nfs/dbraw/zinc/56/62/70/1029566270.db2.gz ABYLUSWJLQZYQM-UHFFFAOYSA-N 0 0 373.405 2.782 20 10 FFCDRN Cc1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)cnn1-c1ccccc1F ZINC000782549597 1029742788 /nfs/dbraw/zinc/74/27/88/1029742788.db2.gz OOBGSZQGTYRNJZ-UHFFFAOYSA-N 0 0 370.336 2.771 20 10 FFCDRN CCc1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)cnn1-c1ccccc1 ZINC000782691244 1029785399 /nfs/dbraw/zinc/78/53/99/1029785399.db2.gz AAHLDGSGFKHMIF-UHFFFAOYSA-N 0 0 366.373 2.886 20 10 FFCDRN CCOC(=O)[C@@H](CO)NC(=O)c1cc(C)n(-c2cccc(C(C)C)c2)c1C ZINC000782758207 1029811654 /nfs/dbraw/zinc/81/16/54/1029811654.db2.gz GHKRNWHUFSXMOX-LJQANCHMSA-N 0 0 372.465 2.871 20 10 FFCDRN CN(C(=O)C1CC1)c1ccccc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000783028300 1029882030 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FFCDRN COc1ccc(C2CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC000841056301 1030010010 /nfs/dbraw/zinc/01/00/10/1030010010.db2.gz DMCQBVXFGBWQFK-UHFFFAOYSA-N 0 0 353.422 2.622 20 10 FFCDRN C[C@H](NC(=O)C(=O)Nc1ccc(N)cc1)c1cccc(N2CCCC2)c1 ZINC000841064237 1030013019 /nfs/dbraw/zinc/01/30/19/1030013019.db2.gz WKZVLXHIEOYNKT-AWEZNQCLSA-N 0 0 352.438 2.685 20 10 FFCDRN Cc1cccc(NC2CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000841072323 1030017883 /nfs/dbraw/zinc/01/78/83/1030017883.db2.gz IODCHBPNICGQBQ-UHFFFAOYSA-N 0 0 352.438 2.619 20 10 FFCDRN Nc1ccc(CCNC(=O)Nc2cccc(N3CCCNC3=O)c2)cc1 ZINC000841129122 1030060863 /nfs/dbraw/zinc/06/08/63/1030060863.db2.gz AWLRIXZPYXWDAM-UHFFFAOYSA-N 0 0 353.426 2.553 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)Nc2ccccc2OC[C@@H]2CCCCO2)cc1 ZINC000841149563 1030074270 /nfs/dbraw/zinc/07/42/70/1030074270.db2.gz JMRMXOBTIUNQGQ-INIZCTEOSA-N 0 0 369.421 2.794 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCCc2ccc(N)cc2)nn1C1CCCCC1 ZINC000841174662 1030092552 /nfs/dbraw/zinc/09/25/52/1030092552.db2.gz MMYWOVRABLRSNB-UHFFFAOYSA-N 0 0 369.469 2.576 20 10 FFCDRN COc1cc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)ccc1N ZINC000841265188 1030142727 /nfs/dbraw/zinc/14/27/27/1030142727.db2.gz SRTTVZSZHYJCEQ-CQSZACIVSA-N 0 0 370.453 2.997 20 10 FFCDRN COc1cccc(OCCN2CCN(C(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000841299181 1030167742 /nfs/dbraw/zinc/16/77/42/1030167742.db2.gz VXAQDZFFZWZWHL-UHFFFAOYSA-N 0 0 370.453 2.506 20 10 FFCDRN Nc1ccc(NC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCCC2)cc1 ZINC000841300018 1030168303 /nfs/dbraw/zinc/16/83/03/1030168303.db2.gz LMQOHAATXNBNFC-GOSISDBHSA-N 0 0 352.438 2.624 20 10 FFCDRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)Nc3ccc(N)cc3)C2)c1 ZINC000841300100 1030168754 /nfs/dbraw/zinc/16/87/54/1030168754.db2.gz NEVDOCMDKZVQLK-AWEZNQCLSA-N 0 0 370.453 2.934 20 10 FFCDRN CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)Nc2ccc(N)cc2)C1 ZINC000841300474 1030171808 /nfs/dbraw/zinc/17/18/08/1030171808.db2.gz SDWSKMROZFQKHV-LBPRGKRZSA-N 0 0 372.391 2.924 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)Nc3ccc(N)cc3)cn2)C[C@H](C)O1 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HVTWJLDFPVVVHH-UHFFFAOYSA-N 0 0 370.840 2.897 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ccc([N+](=O)[O-])c(N)n2)C1 ZINC001166818156 1030532668 /nfs/dbraw/zinc/53/26/68/1030532668.db2.gz NWUPDAAOSSMZSS-UHFFFAOYSA-N 0 0 353.382 2.635 20 10 FFCDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)c1cn(-c2ccccc2)nn1 ZINC000784286432 1030553880 /nfs/dbraw/zinc/55/38/80/1030553880.db2.gz LGRLJOKUEPMSKI-CHOZFAJLSA-N 0 0 351.362 2.996 20 10 FFCDRN Nc1ccc(CCNC(=O)NC[C@@H](O)c2ccccc2C(F)(F)F)cc1 ZINC000841957019 1030558878 /nfs/dbraw/zinc/55/88/78/1030558878.db2.gz LEIJMPXYIQKKOJ-MRXNPFEDSA-N 0 0 367.371 2.863 20 10 FFCDRN C[C@@H]1[C@H](NC(=O)Cc2ccc(O)c(O)c2)CCCN1C(=O)OC(C)(C)C ZINC001142526579 1030579850 /nfs/dbraw/zinc/57/98/50/1030579850.db2.gz JUJUKKXEWLDLQH-TZMCWYRMSA-N 0 0 364.442 2.545 20 10 FFCDRN C[C@@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CC[C@@H]1c1ccccc1 ZINC000842241461 1030653287 /nfs/dbraw/zinc/65/32/87/1030653287.db2.gz BTBQHWJWHJZEJZ-UZLBHIALSA-N 0 0 365.477 2.580 20 10 FFCDRN C[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1F ZINC000784696760 1030763490 /nfs/dbraw/zinc/76/34/90/1030763490.db2.gz TXDMRKLPITYJOE-SECBINFHSA-N 0 0 363.297 2.675 20 10 FFCDRN COCc1noc2c1CN(Cc1cc(Br)ccc1O)CC2 ZINC001203643351 1030800808 /nfs/dbraw/zinc/80/08/08/1030800808.db2.gz OEPDSKCGQITSLN-UHFFFAOYSA-N 0 0 353.216 2.847 20 10 FFCDRN O=C1N(c2cccc(F)c2)CC12CC[NH+](Cc1ccc(O)c(O)c1)CC2 ZINC001203878328 1030953985 /nfs/dbraw/zinc/95/39/85/1030953985.db2.gz DOAMLWJGKIHUAA-UHFFFAOYSA-N 0 0 356.397 2.866 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(O)c(O)c2)CCC1(F)F ZINC001203879924 1030954718 /nfs/dbraw/zinc/95/47/18/1030954718.db2.gz HEZVOVYSBURQAK-AWEZNQCLSA-N 0 0 358.385 2.832 20 10 FFCDRN COC(=O)c1ccnc(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000842874123 1031007758 /nfs/dbraw/zinc/00/77/58/1031007758.db2.gz KFQAGKXWCUMLJN-AWEZNQCLSA-N 0 0 370.405 2.560 20 10 FFCDRN CCC(=O)N1CCC[C@@H](C(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000842879349 1031011114 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FFCDRN CS(=O)(=O)c1ccc(CCC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001469877463 1064222278 /nfs/dbraw/zinc/22/22/78/1064222278.db2.gz OVIIEAIROKECMJ-UHFFFAOYSA-N 0 0 367.854 2.698 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)c1 ZINC001470254063 1064287945 /nfs/dbraw/zinc/28/79/45/1064287945.db2.gz FGTQSDMTNHEXNH-UHFFFAOYSA-N 0 0 366.377 2.939 20 10 FFCDRN Cc1cnc(CCNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001470432076 1064331968 /nfs/dbraw/zinc/33/19/68/1064331968.db2.gz BTJVCWPHCXYMPD-UHFFFAOYSA-N 0 0 353.470 2.769 20 10 FFCDRN Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1O ZINC001471193983 1064597180 /nfs/dbraw/zinc/59/71/80/1064597180.db2.gz AJCUWPLEMBVIIK-LBPRGKRZSA-N 0 0 364.405 2.678 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C(=O)NCc2cccc(O)c2O)C1 ZINC001471642043 1064744016 /nfs/dbraw/zinc/74/40/16/1064744016.db2.gz HECKBWAUSRFPDG-TZMCWYRMSA-N 0 0 364.442 2.798 20 10 FFCDRN CC(C)(C)OC(=O)COc1cccc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001471662095 1064751270 /nfs/dbraw/zinc/75/12/70/1064751270.db2.gz NTMLPSVLAIAYPQ-UHFFFAOYSA-N 0 0 373.405 2.748 20 10 FFCDRN CCOC(=O)c1cnc(CC)nc1N1CCN(c2ccc(OC)cc2)CC1 ZINC001472726723 1065134970 /nfs/dbraw/zinc/13/49/70/1065134970.db2.gz KQAHXQNKBDZPNO-UHFFFAOYSA-N 0 0 370.453 2.551 20 10 FFCDRN COc1ccc(N(C)CCOCCN2C(=O)c3ccccc3C2=O)cc1F ZINC001473251188 1065229539 /nfs/dbraw/zinc/22/95/39/1065229539.db2.gz RRBRUFOCIJSLJI-UHFFFAOYSA-N 0 0 372.396 2.583 20 10 FFCDRN COC(=O)COc1ccc(N(C)C[C@@H]2Cc3cc(OC)ccc3O2)cc1 ZINC001473372761 1065251394 /nfs/dbraw/zinc/25/13/94/1065251394.db2.gz FAJMLISWYACLMI-SFHVURJKSA-N 0 0 357.406 2.687 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)C[C@@H]1CCCC2(CCC2)O1 ZINC001474956944 1065656011 /nfs/dbraw/zinc/65/60/11/1065656011.db2.gz RGCZKQFOFBBMCC-SFHVURJKSA-N 0 0 366.527 2.972 20 10 FFCDRN NC(=O)c1cc(NC(=O)c2csc(Cc3ccc(N)cc3)n2)cs1 ZINC001580101610 1078749300 /nfs/dbraw/zinc/74/93/00/1078749300.db2.gz ZYLQQEASUYGHID-UHFFFAOYSA-N 0 0 358.448 2.729 20 10 FFCDRN Nc1ccc(CC(=O)N2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 ZINC001580443377 1078806062 /nfs/dbraw/zinc/80/60/62/1078806062.db2.gz ZYEIHDBUWZMVNL-UHFFFAOYSA-N 0 0 350.397 2.721 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CCC[C@@H]3c3ncon3)cs2)cc1 ZINC001580446904 1078806346 /nfs/dbraw/zinc/80/63/46/1078806346.db2.gz KFAQYXINFSMQRS-CQSZACIVSA-N 0 0 355.423 2.676 20 10 FFCDRN [O-]c1c(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(Cl)c2)ccc(F)c1F ZINC001582814946 1079113092 /nfs/dbraw/zinc/11/30/92/1079113092.db2.gz WVTQNTORXSFZDZ-UHFFFAOYSA-N 0 0 351.744 2.794 20 10 FFCDRN CCS(=O)(=O)Nc1cccc(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001583817012 1079269978 /nfs/dbraw/zinc/26/99/78/1079269978.db2.gz PLHNURVPBZXJGK-UHFFFAOYSA-N 0 0 368.842 2.737 20 10 FFCDRN CC(C)C[C@@H](O)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001562965814 1074797211 /nfs/dbraw/zinc/79/72/11/1074797211.db2.gz BKYIUGVDTGXVAU-CQSZACIVSA-N 0 0 353.426 2.925 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3ncc4ccccc4c3O)C2)cc1 ZINC001584228911 1079325073 /nfs/dbraw/zinc/32/50/73/1079325073.db2.gz ASBDOVITERLSHY-HNNXBMFYSA-N 0 0 363.417 2.958 20 10 FFCDRN CCON(CC)C(=O)CNC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001557515815 1075857764 /nfs/dbraw/zinc/85/77/64/1075857764.db2.gz YDOYUXXSDLPUBX-UHFFFAOYSA-N 0 0 357.454 2.932 20 10 FFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001558455462 1076010159 /nfs/dbraw/zinc/01/01/59/1076010159.db2.gz UOVWQOHFOGWYKB-ZDUSSCGKSA-N 0 0 362.788 2.854 20 10 FFCDRN Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCc1c(O)cccc1O ZINC001558534773 1076026952 /nfs/dbraw/zinc/02/69/52/1076026952.db2.gz XWFKIIQTPDKKMO-KRWDZBQOSA-N 0 0 370.449 2.867 20 10 FFCDRN C[C@H](Oc1cccc(Br)c1)C(=O)NCc1c(O)cccc1O ZINC001558533615 1076027038 /nfs/dbraw/zinc/02/70/38/1076027038.db2.gz ISZDYNOSNINETJ-JTQLQIEISA-N 0 0 366.211 2.944 20 10 FFCDRN Cc1cc(C(=O)Nc2ccccc2-c2nnnn2C)c(C)n1-c1ccccn1 ZINC001558680264 1076053864 /nfs/dbraw/zinc/05/38/64/1076053864.db2.gz RTTSMEDBBWEIJD-UHFFFAOYSA-N 0 0 373.420 2.932 20 10 FFCDRN COc1ccccc1[C@@](N)(C(=O)N[C@H](C)c1ccccc1O)C(F)(F)F ZINC001559024968 1076117126 /nfs/dbraw/zinc/11/71/26/1076117126.db2.gz AZRKOXWZUHNVPD-PIGZYNQJSA-N 0 0 368.355 2.995 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CC[C@H](O)[C@@H]3CCCC[C@@H]32)c([N+](=O)[O-])c1 ZINC001559263170 1076142208 /nfs/dbraw/zinc/14/22/08/1076142208.db2.gz NLRGBAQZAPBHKY-KWDXISDVSA-N 0 0 360.410 2.911 20 10 FFCDRN C[C@H]1CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C[C@@H]1C ZINC001559560410 1076173174 /nfs/dbraw/zinc/17/31/74/1076173174.db2.gz KPXVXUGFFUTGDD-KBPBESRZSA-N 0 0 362.429 2.988 20 10 FFCDRN C[C@@H](O)c1ncc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC001560499612 1076276425 /nfs/dbraw/zinc/27/64/25/1076276425.db2.gz JVZHGETTWBIBQR-LLVKDONJSA-N 0 0 369.437 2.601 20 10 FFCDRN O=C(NCCO)c1ccc(NCc2cc(F)cc(F)c2O)cc1Cl ZINC001560519525 1076277673 /nfs/dbraw/zinc/27/76/73/1076277673.db2.gz GUGRXSVVSSNPIF-UHFFFAOYSA-N 0 0 356.756 2.658 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3coc4ccccc43)CC2)cc1 ZINC001561391175 1076371405 /nfs/dbraw/zinc/37/14/05/1076371405.db2.gz CYVUPSNYRYGXLG-UHFFFAOYSA-N 0 0 372.446 2.952 20 10 FFCDRN Cc1cc(CNS(=O)(=O)CCn2cccn2)c(C)n1-c1cccc(C)c1 ZINC001561819432 1076428425 /nfs/dbraw/zinc/42/84/25/1076428425.db2.gz WLLGRUVXKOJNFY-UHFFFAOYSA-N 0 0 372.494 2.719 20 10 FFCDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccc(Cl)c1O ZINC001562008169 1076464659 /nfs/dbraw/zinc/46/46/59/1076464659.db2.gz IRQUILYKRHFIKO-UHFFFAOYSA-N 0 0 356.787 2.741 20 10 FFCDRN O=S(=O)(C[C@H]1CCCC2(CCC2)O1)NCc1cccc(Cl)c1O ZINC001562008283 1076464815 /nfs/dbraw/zinc/46/48/15/1076464815.db2.gz NXNAGZKOVSTRRY-CYBMUJFWSA-N 0 0 359.875 2.957 20 10 FFCDRN NC(=O)[C@H]1CC[C@@H](NC(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC001564911870 1076669987 /nfs/dbraw/zinc/66/99/87/1076669987.db2.gz KWGKDRGGLMBMLF-GOEBONIOSA-N 0 0 359.470 2.891 20 10 FFCDRN Cc1cc(CCNC(=O)N2CCN(C)C(=O)[C@@H]2C)c(C)n1-c1ccccc1 ZINC001565162355 1076692664 /nfs/dbraw/zinc/69/26/64/1076692664.db2.gz TYJCITHDTNACCM-KRWDZBQOSA-N 0 0 368.481 2.509 20 10 FFCDRN O=C(N[C@H](CO)C[C@H](O)c1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001567252202 1077008477 /nfs/dbraw/zinc/00/84/77/1077008477.db2.gz CEOPLXQBWQULCQ-KBPBESRZSA-N 0 0 373.430 2.527 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C[C@H]1NC(=O)c2ccccc21 ZINC001570417945 1077205517 /nfs/dbraw/zinc/20/55/17/1077205517.db2.gz ATDGMNKYHSANFE-MGPUTAFESA-N 0 0 365.477 2.983 20 10 FFCDRN CCn1c(Br)ncc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001587316559 1079772218 /nfs/dbraw/zinc/77/22/18/1079772218.db2.gz KADPETWHPBBCCI-UHFFFAOYSA-N 0 0 351.248 2.662 20 10 FFCDRN C[C@H](NC(=O)c1cc(S(C)(=O)=O)ccc1Cl)c1ccccc1O ZINC001587446889 1079793986 /nfs/dbraw/zinc/79/39/86/1079793986.db2.gz BJKROGUYNPYVMC-JTQLQIEISA-N 0 0 353.827 2.940 20 10 FFCDRN O=C(c1csc(I)n1)N1Cc2cccc(O)c2C1 ZINC001587929008 1079892715 /nfs/dbraw/zinc/89/27/15/1079892715.db2.gz UWAROJPTAJNWOT-UHFFFAOYSA-N 0 0 372.187 2.609 20 10 FFCDRN C[C@H]([NH2+]C[C@@]1(C)CCOC2(CCC2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589977740 1080916971 /nfs/dbraw/zinc/91/69/71/1080916971.db2.gz HPSLBGMZPFBAMR-UGSOOPFHSA-N 0 0 357.458 2.962 20 10 FFCDRN COc1c(O)c(CN[C@@H](C)c2cn(-c3ccccc3)nn2)ccc1[N+](=O)[O-] ZINC000372979951 512116446 /nfs/dbraw/zinc/11/64/46/512116446.db2.gz YTJDIFZCCNMPGP-LBPRGKRZSA-N 0 0 369.381 2.741 20 10 FFCDRN CC(C)[C@@H](NC(=O)Cc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000053914636 205196159 /nfs/dbraw/zinc/19/61/59/205196159.db2.gz XOPKKTGJZIIPGR-HXUWFJFHSA-N 0 0 354.450 2.734 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccoc2C2(O)CCOCC2)cc1 ZINC000366655385 512126247 /nfs/dbraw/zinc/12/62/47/512126247.db2.gz QPPWKPFGQFHORQ-UHFFFAOYSA-N 0 0 358.438 2.616 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c(O)c1 ZINC000369073201 512215865 /nfs/dbraw/zinc/21/58/65/512215865.db2.gz BPJRQZCXDKIGSD-ZDUSSCGKSA-N 0 0 367.409 2.542 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCc2c[nH]nc2C1 ZINC000371138593 512237578 /nfs/dbraw/zinc/23/75/78/512237578.db2.gz GAJOWZHELSZVCW-KRWDZBQOSA-N 0 0 355.486 2.953 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000369127830 512239357 /nfs/dbraw/zinc/23/93/57/512239357.db2.gz YOKQVMUDKQOCOE-QGZVFWFLSA-N 0 0 354.454 2.970 20 10 FFCDRN COc1ccccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000053752816 506438704 /nfs/dbraw/zinc/43/87/04/506438704.db2.gz VACITPRJLUGICW-UHFFFAOYSA-N 0 0 355.438 2.531 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3F)CC2)cc1 ZINC000054057245 506485983 /nfs/dbraw/zinc/48/59/83/506485983.db2.gz ZFLLFWSNATYSOP-UHFFFAOYSA-N 0 0 359.357 2.705 20 10 FFCDRN COc1cccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 ZINC000041419435 506517612 /nfs/dbraw/zinc/51/76/12/506517612.db2.gz PTAJAESTUDKMPM-UHFFFAOYSA-N 0 0 353.422 2.616 20 10 FFCDRN COc1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000054284698 506530161 /nfs/dbraw/zinc/53/01/61/506530161.db2.gz JIMIHVPWIWDWKZ-UHFFFAOYSA-N 0 0 372.440 2.920 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CN(C)C(=O)c3ccccc32)cc1 ZINC000373351497 512286064 /nfs/dbraw/zinc/28/60/64/512286064.db2.gz UFRZCHHSXHYMAR-LJQANCHMSA-N 0 0 351.450 2.580 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C/c3c(C)nn(C)c3Cl)CC2)cc1 ZINC000054582313 506579838 /nfs/dbraw/zinc/57/98/38/506579838.db2.gz MOOJTERLFKOWMF-CMDGGOBGSA-N 0 0 374.872 2.753 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1ccc(CCO)cc1 ZINC000066653520 506595205 /nfs/dbraw/zinc/59/52/05/506595205.db2.gz XTRFTDCXMIWDKH-BJMVGYQFSA-N 0 0 352.434 2.710 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCCNC(=O)c1ccccc1 ZINC000066698789 506613468 /nfs/dbraw/zinc/61/34/68/506613468.db2.gz ZHFYERRYWIRRNK-UHFFFAOYSA-N 0 0 355.438 2.744 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc32)cc1F ZINC000066841614 506660725 /nfs/dbraw/zinc/66/07/25/506660725.db2.gz IWAYQPMPIQPGNV-UHFFFAOYSA-N 0 0 368.412 2.838 20 10 FFCDRN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1nnc2n1CCCCC2 ZINC000042800920 506668591 /nfs/dbraw/zinc/66/85/91/506668591.db2.gz LYWMQKLZZIMIRO-MRXNPFEDSA-N 0 0 355.486 2.692 20 10 FFCDRN Cc1cccc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000055522833 506768644 /nfs/dbraw/zinc/76/86/44/506768644.db2.gz NZVGMHVTLMKNOE-UHFFFAOYSA-N 0 0 358.413 2.666 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000044718124 506878846 /nfs/dbraw/zinc/87/88/46/506878846.db2.gz HCJILAOQNUBBQO-INIZCTEOSA-N 0 0 360.479 2.567 20 10 FFCDRN CC(C)C(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000056484782 507026264 /nfs/dbraw/zinc/02/62/64/507026264.db2.gz HKXUTPTZHNYJLG-LJQANCHMSA-N 0 0 357.498 2.940 20 10 FFCDRN COC(=O)COc1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000056484874 507027521 /nfs/dbraw/zinc/02/75/21/507027521.db2.gz QMEZUXHICOTBSS-UHFFFAOYSA-N 0 0 368.433 2.769 20 10 FFCDRN CC(=O)N1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)CC1 ZINC000015376989 507037549 /nfs/dbraw/zinc/03/75/49/507037549.db2.gz BTAULCRNQHNWQB-UHFFFAOYSA-N 0 0 357.429 2.580 20 10 FFCDRN C[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000068404726 507217591 /nfs/dbraw/zinc/21/75/91/507217591.db2.gz GQSSMKXFOJCSDM-INIZCTEOSA-N 0 0 354.454 2.821 20 10 FFCDRN COc1cccc(CNC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)c1O ZINC000068488523 507248986 /nfs/dbraw/zinc/24/89/86/507248986.db2.gz INTCOJGWSAAJQS-UHFFFAOYSA-N 0 0 360.410 2.841 20 10 FFCDRN Cc1ccc(OCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000068535760 507260789 /nfs/dbraw/zinc/26/07/89/507260789.db2.gz CSXJNJTWYWDCMX-UHFFFAOYSA-N 0 0 354.450 2.869 20 10 FFCDRN CN1CCCc2cc(CNC(=O)C[C@H](NC(N)=O)c3cccs3)ccc21 ZINC000057550125 507285025 /nfs/dbraw/zinc/28/50/25/507285025.db2.gz QNAJPHKSGUIYLH-HNNXBMFYSA-N 0 0 372.494 2.546 20 10 FFCDRN Cn1cc(C=C2SC(NC3CCCC3)=NC2=O)c(-c2ccncc2)n1 ZINC000063277031 507710595 /nfs/dbraw/zinc/71/05/95/507710595.db2.gz BPHZYNYFKXYINE-GDNBJRDFSA-N 0 0 353.451 2.985 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@H](COC(C)C)C2)c1O ZINC000373488317 512356615 /nfs/dbraw/zinc/35/66/15/512356615.db2.gz COMXMSYHGSCEGI-AWEZNQCLSA-N 0 0 374.275 2.789 20 10 FFCDRN O=C(CN1CCS(=O)(=O)CC1)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000071999934 507733301 /nfs/dbraw/zinc/73/33/01/507733301.db2.gz 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507883246 /nfs/dbraw/zinc/88/32/46/507883246.db2.gz NODJXJMCEBOQHA-UHFFFAOYSA-N 0 0 367.497 2.808 20 10 FFCDRN Cn1cc([C@@H]2CCCN2C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cn1 ZINC000108810128 507919852 /nfs/dbraw/zinc/91/98/52/507919852.db2.gz MARGFDQRTOUSON-ZGBFETHSSA-N 0 0 366.465 2.634 20 10 FFCDRN Cc1noc(CCCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1 ZINC000109891718 507995382 /nfs/dbraw/zinc/99/53/82/507995382.db2.gz UNYHEGANEMCBQJ-MRXNPFEDSA-N 0 0 359.426 2.614 20 10 FFCDRN Cc1cc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)no1 ZINC000074224593 508000141 /nfs/dbraw/zinc/00/01/41/508000141.db2.gz HPWRCPAPTWAMOG-ZIAGYGMSSA-N 0 0 361.417 2.595 20 10 FFCDRN O=C(NCCc1cccs1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000079876407 508009656 /nfs/dbraw/zinc/00/96/56/508009656.db2.gz HHDZZAOIDAIMPW-UHFFFAOYSA-N 0 0 363.458 2.766 20 10 FFCDRN CN(C)c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)ncn2)cc1F ZINC000110382000 508025079 /nfs/dbraw/zinc/02/50/79/508025079.db2.gz KUXVCRATBFHLFV-OAHLLOKOSA-N 0 0 359.449 2.503 20 10 FFCDRN 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O=C(NCc1ccccc1O)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 ZINC000265638464 510151686 /nfs/dbraw/zinc/15/16/86/510151686.db2.gz YSDSTFLMWPQJNZ-UHFFFAOYSA-N 0 0 373.840 2.901 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(N2CCNC2=O)CC1 ZINC000194344579 510323518 /nfs/dbraw/zinc/32/35/18/510323518.db2.gz SJUQGMCJQHXDPB-UHFFFAOYSA-N 0 0 372.494 2.785 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCc3cccc(CO)c3)CC2)cc1 ZINC000171710230 510324658 /nfs/dbraw/zinc/32/46/58/510324658.db2.gz BCVREQCDPFCUAG-UHFFFAOYSA-N 0 0 369.465 2.609 20 10 FFCDRN CC[C@H](CSC)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000181433923 510405333 /nfs/dbraw/zinc/40/53/33/510405333.db2.gz OATBMJFNFKYRGI-QGZVFWFLSA-N 0 0 365.543 2.836 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000184686064 510463710 /nfs/dbraw/zinc/46/37/10/510463710.db2.gz IKWVBEHOGCPIIO-NEPJUHHUSA-N 0 0 351.324 2.978 20 10 FFCDRN CC(=O)N1CCN(c2ccc(OC[C@@H](O)CCc3ccccc3)cc2)CC1 ZINC000184728658 510487148 /nfs/dbraw/zinc/48/71/48/510487148.db2.gz 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/nfs/dbraw/zinc/77/65/14/510776514.db2.gz AJYJPQWSQIYITI-UHFFFAOYSA-N 0 0 370.449 2.948 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)cc1 ZINC000247121071 510839697 /nfs/dbraw/zinc/83/96/97/510839697.db2.gz WCJAIGBYRKDYMO-GUDVDZBRSA-N 0 0 373.497 2.730 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccco3)cc2F)C[C@@H](C)O1 ZINC000275410901 510899770 /nfs/dbraw/zinc/89/97/70/510899770.db2.gz AXUNTUKBGOUSII-CHWSQXEVSA-N 0 0 368.430 2.511 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC([C@@H]2CCCO2)CC1 ZINC000275849449 510919401 /nfs/dbraw/zinc/91/94/01/510919401.db2.gz HVFQEFDKUIEAKU-FQEVSTJZSA-N 0 0 373.497 2.624 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc2c(cc1C)OCO2 ZINC000275913727 510920726 /nfs/dbraw/zinc/92/07/26/510920726.db2.gz OYVUCHKIOFCVPX-UHFFFAOYSA-N 0 0 370.405 2.807 20 10 FFCDRN Cc1noc([C@H]2CCCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000285476307 510921896 /nfs/dbraw/zinc/92/18/96/510921896.db2.gz BDCJSJXKGGCROG-GOSISDBHSA-N 0 0 371.485 2.630 20 10 FFCDRN Cc1nnsc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000276502879 510940550 /nfs/dbraw/zinc/94/05/50/510940550.db2.gz PUIVMPSVFMRWSU-PHIMTYICSA-N 0 0 364.446 2.529 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCc3nnc(C)n3C)c2C)cc1 ZINC000276683114 510944306 /nfs/dbraw/zinc/94/43/06/510944306.db2.gz PDDMVQIWNUBFPW-UHFFFAOYSA-N 0 0 367.453 2.512 20 10 FFCDRN COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2O)c(N(C)C)c1 ZINC000276769714 510945732 /nfs/dbraw/zinc/94/57/32/510945732.db2.gz KVSDYWKFWAPWDK-UHFFFAOYSA-N 0 0 357.410 2.909 20 10 FFCDRN O=C1N[C@H](C2CC2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000277141137 510955892 /nfs/dbraw/zinc/95/58/92/510955892.db2.gz BYQMQCGXRRGZAD-UKRRQHHQSA-N 0 0 365.380 2.587 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000277489756 510964641 /nfs/dbraw/zinc/96/46/41/510964641.db2.gz QIMJJUUEBBNALL-MRVWCRGKSA-N 0 0 369.259 2.912 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)C2CC2)cc1 ZINC000277994557 510977393 /nfs/dbraw/zinc/97/73/93/510977393.db2.gz LCIJDDYJZGFHIG-VQTJNVASSA-N 0 0 368.481 2.755 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccnc(NC(=O)C3CC3)c2)cc1 ZINC000285633592 510987775 /nfs/dbraw/zinc/98/77/75/510987775.db2.gz XMGLYBOVKUINSZ-UHFFFAOYSA-N 0 0 352.438 2.768 20 10 FFCDRN CCOC1CC(C[NH2+][C@H](C)c2ccc(C)c(C)c2O)(N2CCOCC2)C1 ZINC000278370163 510991038 /nfs/dbraw/zinc/99/10/38/510991038.db2.gz DKROPEMJSMIBMH-MPQSDHOMSA-N 0 0 362.514 2.930 20 10 FFCDRN Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cc([N+](=O)[O-])ccc3[O-])C2)n(C)n1 ZINC000278446282 510993666 /nfs/dbraw/zinc/99/36/66/510993666.db2.gz KYQQZJZIDPMNHO-KGLIPLIRSA-N 0 0 359.430 2.662 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](O)c1cccnc1 ZINC000270817701 510993647 /nfs/dbraw/zinc/99/36/47/510993647.db2.gz PSIGGTZKSCQPJG-HNNXBMFYSA-N 0 0 365.227 2.632 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H](C)[C@H](O)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278508268 510996026 /nfs/dbraw/zinc/99/60/26/510996026.db2.gz PFECGPAMJNOVPZ-BONVTDFDSA-N 0 0 350.346 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354.472 2.805 20 10 FFCDRN CC(C)[C@@]1(CO)CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000294829156 511192214 /nfs/dbraw/zinc/19/22/14/511192214.db2.gz QXAPHERCUIQWFY-OUZREKFBSA-N 0 0 372.509 2.794 20 10 FFCDRN O=C(NCc1ccncc1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000283033120 511207369 /nfs/dbraw/zinc/20/73/69/511207369.db2.gz IXMFSZACADCNKM-UHFFFAOYSA-N 0 0 367.449 2.765 20 10 FFCDRN Cc1ccc(N)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000279923778 511268786 /nfs/dbraw/zinc/26/87/86/511268786.db2.gz OCWCDFJQYJTXFF-UHFFFAOYSA-N 0 0 357.429 2.607 20 10 FFCDRN CCOc1ccc(O)c(CNc2ccc(C3CC(=O)NC(=O)C3)cc2)c1 ZINC000295111279 511285862 /nfs/dbraw/zinc/28/58/62/511285862.db2.gz LRGNTQOPHVQHBM-UHFFFAOYSA-N 0 0 354.406 2.923 20 10 FFCDRN CC1(C)CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@@H]1[C@@H]1CCCO1 ZINC000291666630 511287773 /nfs/dbraw/zinc/28/77/73/511287773.db2.gz QVMPWGVBNLKSKL-HAYVOWPYSA-N 0 0 370.493 2.952 20 10 FFCDRN COc1cc(Cl)cc(CN[C@H](c2nccn2C)C(C)(C)CO)c1O ZINC000295141738 511295944 /nfs/dbraw/zinc/29/59/44/511295944.db2.gz ZUWHQKUMVSXVKT-OAHLLOKOSA-N 0 0 353.850 2.637 20 10 FFCDRN COc1ncccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000298597866 511341817 /nfs/dbraw/zinc/34/18/17/511341817.db2.gz RQNRDXQVOFXGDO-UHFFFAOYSA-N 0 0 356.426 2.591 20 10 FFCDRN CC[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000295262925 511342434 /nfs/dbraw/zinc/34/24/34/511342434.db2.gz YIEFTEKHTQUNAT-QUCCMNQESA-N 0 0 357.498 2.798 20 10 FFCDRN Cc1cc(Br)cc(CN2C[C@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280144113 511351776 /nfs/dbraw/zinc/35/17/76/511351776.db2.gz DGFOZHSYQWCDSW-LRDDRELGSA-N 0 0 356.260 2.843 20 10 FFCDRN Cc1cc(C(=O)NCCCOC[C@@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000298659472 511365064 /nfs/dbraw/zinc/36/50/64/511365064.db2.gz HUMPRCXEZLXQOU-KRWDZBQOSA-N 0 0 357.454 2.805 20 10 FFCDRN COC(=O)Cc1occc1C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000283435445 511365852 /nfs/dbraw/zinc/36/58/52/511365852.db2.gz MZJJETCHPOSRIY-OAHLLOKOSA-N 0 0 373.405 2.522 20 10 FFCDRN CC(=O)c1ccc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000298664519 511367250 /nfs/dbraw/zinc/36/72/50/511367250.db2.gz CEGLTCOWPRRMKR-UHFFFAOYSA-N 0 0 366.461 2.927 20 10 FFCDRN Cc1cc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n2ncnc2n1 ZINC000298686328 511374636 /nfs/dbraw/zinc/37/46/36/511374636.db2.gz BCENPEGWQGEJPP-KBPBESRZSA-N 0 0 370.432 2.798 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)N(C)Cc2ccccc2C)s1 ZINC000295364895 511378597 /nfs/dbraw/zinc/37/85/97/511378597.db2.gz RYHACIHZVDUHCI-UHFFFAOYSA-N 0 0 350.465 2.989 20 10 FFCDRN C[C@@H]1C[C@H](C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)CCO1 ZINC000271979729 511390091 /nfs/dbraw/zinc/39/00/91/511390091.db2.gz OHZRAAPVXHJJFH-PNBKFKSVSA-N 0 0 364.461 2.871 20 10 FFCDRN C[C@H](C(=O)NCCc1ccc(O)c(O)c1)N(C(=O)OC(C)(C)C)C1CC1 ZINC000295556795 511444444 /nfs/dbraw/zinc/44/44/44/511444444.db2.gz VDWCDRXWADOCCC-GFCCVEGCSA-N 0 0 364.442 2.545 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 ZINC000280403982 511453498 /nfs/dbraw/zinc/45/34/98/511453498.db2.gz AJOVYMXWWSRHEH-QWRGUYRKSA-N 0 0 371.393 2.570 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000283742754 511484613 /nfs/dbraw/zinc/48/46/13/511484613.db2.gz PEKGEVCYUMAOJO-HNNXBMFYSA-N 0 0 351.450 2.563 20 10 FFCDRN O=C(C=Cc1ccc(O)c(O)c1)N1CCOC[C@H]1CC(=O)c1cccs1 ZINC000272375000 511491909 /nfs/dbraw/zinc/49/19/09/511491909.db2.gz DXZPAZDUHYDCDY-YVARQFDVSA-N 0 0 373.430 2.673 20 10 FFCDRN COc1cc(-c2noc(/C=C/c3ccc(N4CCOCC4)cc3)n2)ncn1 ZINC000295758448 511506157 /nfs/dbraw/zinc/50/61/57/511506157.db2.gz APANYAWIRAYPTB-QPJJXVBHSA-N 0 0 365.393 2.542 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNc3ncc([N+](=O)[O-])cn3)cc2F)C[C@@H](C)O1 ZINC000273171438 511519575 /nfs/dbraw/zinc/51/95/75/511519575.db2.gz MMSYAMWWZLASBD-VXGBXAGGSA-N 0 0 361.377 2.750 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](C)C(=O)NCc2ccccc2)c1 ZINC000273367251 511523648 /nfs/dbraw/zinc/52/36/48/511523648.db2.gz FHUUHHHAVJSTAY-ZIAGYGMSSA-N 0 0 356.422 2.534 20 10 FFCDRN CC(=O)N1CCN(CC[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000273386045 511524775 /nfs/dbraw/zinc/52/47/75/511524775.db2.gz JPNJUDSHVAGEKT-NSHDSACASA-N 0 0 360.285 2.514 20 10 FFCDRN Cc1nnc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000273456921 511526078 /nfs/dbraw/zinc/52/60/78/511526078.db2.gz MAROYSKNSWHIKD-QWRGUYRKSA-N 0 0 364.446 2.529 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480401 511529710 /nfs/dbraw/zinc/52/97/10/511529710.db2.gz UGXFSUWUGHORAI-SUMWQHHRSA-N 0 0 370.409 2.537 20 10 FFCDRN CN(C)C(=O)Nc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000280627857 511539869 /nfs/dbraw/zinc/53/98/69/511539869.db2.gz WYEDQDDSOFICKL-UHFFFAOYSA-N 0 0 369.469 2.846 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C)nc1 ZINC000283923323 511545163 /nfs/dbraw/zinc/54/51/63/511545163.db2.gz DWBKMPFHGIBYRV-UHFFFAOYSA-N 0 0 355.438 2.541 20 10 FFCDRN COc1cc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)ccc1O ZINC000280679878 511561169 /nfs/dbraw/zinc/56/11/69/511561169.db2.gz ZJAUXCYVZNFJSZ-GTNSWQLSSA-N 0 0 353.440 2.538 20 10 FFCDRN Cn1ccnc1[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000365638481 511574280 /nfs/dbraw/zinc/57/42/80/511574280.db2.gz MHIVHYRKOKSATK-GOSISDBHSA-N 0 0 367.497 2.892 20 10 FFCDRN CCOCCCn1c([C@@H]2CCCO2)nnc1N(C)Cc1ccccc1O ZINC000295998788 511583923 /nfs/dbraw/zinc/58/39/23/511583923.db2.gz NPRCFIANNATZHP-KRWDZBQOSA-N 0 0 360.458 2.898 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCC2([S@@](C)=O)CCC2)C2CC2)cc1 ZINC000280748573 511587291 /nfs/dbraw/zinc/58/72/91/511587291.db2.gz KRQYMCNOPLHXAZ-RUZDIDTESA-N 0 0 363.527 2.728 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(N2CCC2=O)c1 ZINC000280778020 511599534 /nfs/dbraw/zinc/59/95/34/511599534.db2.gz HOLVNMQPUQGGFY-LBPRGKRZSA-N 0 0 355.394 2.587 20 10 FFCDRN C=CC(=O)NCc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000299382871 511615707 /nfs/dbraw/zinc/61/57/07/511615707.db2.gz NUCGASQFNUDPFI-UHFFFAOYSA-N 0 0 363.461 2.801 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1COc2ccccc2[C@@H]1O ZINC000292589592 511653497 /nfs/dbraw/zinc/65/34/97/511653497.db2.gz VSCFVNYPIDRAHL-ICSRJNTNSA-N 0 0 367.449 2.581 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@@H](C)c2ccncc2)cc1 ZINC000284266708 511662083 /nfs/dbraw/zinc/66/20/83/511662083.db2.gz SDTMEJGRNAFFIJ-INIZCTEOSA-N 0 0 368.481 2.764 20 10 FFCDRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000299688252 511666883 /nfs/dbraw/zinc/66/68/83/511666883.db2.gz LHLSRBDCLLJHCP-ZBFHGGJFSA-N 0 0 363.477 2.793 20 10 FFCDRN CC1CCN(c2ccc(CNc3ncc(S(N)(=O)=O)s3)cc2)CC1 ZINC000301212879 511689546 /nfs/dbraw/zinc/68/95/46/511689546.db2.gz VVONYTVOEKQPSO-UHFFFAOYSA-N 0 0 366.512 2.639 20 10 FFCDRN CN(Cc1cc(F)c(F)c(F)c1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000302024789 511704087 /nfs/dbraw/zinc/70/40/87/511704087.db2.gz HFBDTJPUDVHDOM-UHFFFAOYSA-N 0 0 367.283 2.979 20 10 FFCDRN COc1cc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc(OC)c1OC ZINC000302175602 511707049 /nfs/dbraw/zinc/70/70/49/511707049.db2.gz WUNXODXQCAQEFH-UHFFFAOYSA-N 0 0 370.453 2.706 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(CF)CC1 ZINC000296429064 511739478 /nfs/dbraw/zinc/73/94/78/511739478.db2.gz TVJFWBLINUHSFL-UHFFFAOYSA-N 0 0 353.413 2.553 20 10 FFCDRN CCn1nc(C)c(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000296443898 511744669 /nfs/dbraw/zinc/74/46/69/511744669.db2.gz NVQACSFJKZDUMW-OKILXGFUSA-N 0 0 361.465 2.649 20 10 FFCDRN O=C(NCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1)C(F)(F)F ZINC000281237407 511770139 /nfs/dbraw/zinc/77/01/39/511770139.db2.gz LNGHEPNJDCEBCA-UHFFFAOYSA-N 0 0 350.768 2.936 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(C3CC3)n2)cc1 ZINC000293059830 511824826 /nfs/dbraw/zinc/82/48/26/511824826.db2.gz OVZHIKQISJZKOX-UHFFFAOYSA-N 0 0 352.438 2.622 20 10 FFCDRN CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000296641016 511832961 /nfs/dbraw/zinc/83/29/61/511832961.db2.gz YCHOVOOLMTUUNR-SGANQWHYSA-N 0 0 371.474 2.759 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1ccccn1 ZINC000284781365 511866943 /nfs/dbraw/zinc/86/69/43/511866943.db2.gz JUNSJVGCZQUJHT-INIZCTEOSA-N 0 0 368.481 2.762 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1(NC(N)=O)CC1 ZINC000281631990 511914048 /nfs/dbraw/zinc/91/40/48/511914048.db2.gz QNGZEWVJNVTSTF-CQSZACIVSA-N 0 0 353.422 2.683 20 10 FFCDRN Fc1cc(CN[C@H](c2nc[nH]n2)c2ccccc2)ccc1N1CCOCC1 ZINC000274838046 511957948 /nfs/dbraw/zinc/95/79/48/511957948.db2.gz LFPSIFFAXADWFM-IBGZPJMESA-N 0 0 367.428 2.660 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)NC(=O)Nc1ccccc1 ZINC000274908156 511984019 /nfs/dbraw/zinc/98/40/19/511984019.db2.gz IINWARLQNWEXFE-CYBMUJFWSA-N 0 0 371.437 2.745 20 10 FFCDRN COCc1cccc(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000275037859 512023620 /nfs/dbraw/zinc/02/36/20/512023620.db2.gz LYUNIWDKZXSORT-UHFFFAOYSA-N 0 0 354.450 2.529 20 10 FFCDRN CC[C@H]1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C[C@]2(CCOC2)O1 ZINC000366533733 512076392 /nfs/dbraw/zinc/07/63/92/512076392.db2.gz UMZBSBHCTPDAIK-UWJYYQICSA-N 0 0 369.465 2.899 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccccc2-c2cnn(C)c2)c(O)c1 ZINC000375668548 512444470 /nfs/dbraw/zinc/44/44/70/512444470.db2.gz HSYDYNOZDWFWQT-UHFFFAOYSA-N 0 0 366.421 2.801 20 10 FFCDRN Cc1nc([C@H]2CCCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000375760023 512490607 /nfs/dbraw/zinc/49/06/07/512490607.db2.gz CYVORHRXCPHDQM-GOSISDBHSA-N 0 0 371.485 2.630 20 10 FFCDRN CCOC1CC(C[NH2+][C@H](CC)c2ccc(F)cc2[O-])(N2CCOCC2)C1 ZINC000375894286 512557450 /nfs/dbraw/zinc/55/74/50/512557450.db2.gz DDBHNHDVRBBHOA-KGXSXCIVSA-N 0 0 366.477 2.842 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000376230494 512722649 /nfs/dbraw/zinc/72/26/49/512722649.db2.gz PFDMLFQDANOTMA-MSOLQXFVSA-N 0 0 355.438 2.509 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@H]2c2ncon2)c(C)n1-c1ccccc1C ZINC000374298954 512752902 /nfs/dbraw/zinc/75/29/02/512752902.db2.gz XXZXEFLKQHSMEX-SFHVURJKSA-N 0 0 366.421 2.999 20 10 FFCDRN CC(C)[C@@H]1NC(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C1=O ZINC000378518214 512802220 /nfs/dbraw/zinc/80/22/20/512802220.db2.gz KEIURYJSOGRJND-HNNXBMFYSA-N 0 0 367.396 2.833 20 10 FFCDRN COC(=O)CCCC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000372511789 512910770 /nfs/dbraw/zinc/91/07/70/512910770.db2.gz IQCLPRFOBPLBKQ-UHFFFAOYSA-N 0 0 370.396 2.716 20 10 FFCDRN CCN(CC)c1ccc(CN2CCOC[C@H]2c2noc(COC)n2)cc1 ZINC000374797732 513009195 /nfs/dbraw/zinc/00/91/95/513009195.db2.gz FXJUCRMBQLHKSR-KRWDZBQOSA-N 0 0 360.458 2.636 20 10 FFCDRN Cc1ccc(-n2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)nn2)cc1 ZINC000437027590 514077836 /nfs/dbraw/zinc/07/78/36/514077836.db2.gz SVUWWDVGQRFARA-UHFFFAOYSA-N 0 0 363.421 2.681 20 10 FFCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cnc(N(C)C)nc1 ZINC000453010211 514598927 /nfs/dbraw/zinc/59/89/27/514598927.db2.gz AHIPGPGYFXEYSV-QPEQYQDCSA-N 0 0 353.451 2.875 20 10 FFCDRN Cc1cnn(Cc2cc(C(=O)NCc3c(C)c4ccccc4n3C)no2)c1 ZINC000471226073 514804948 /nfs/dbraw/zinc/80/49/48/514804948.db2.gz HGBMWAVAPZWKPD-UHFFFAOYSA-N 0 0 363.421 2.958 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCOC[C@@H]1CCCO1 ZINC000471536150 514919943 /nfs/dbraw/zinc/91/99/43/514919943.db2.gz HXRYJYHFUXFYOZ-INIZCTEOSA-N 0 0 359.470 2.872 20 10 FFCDRN Cc1nc2n(n1)CCC[C@@H]2NC(=O)NCc1c(C)c2ccccc2n1C ZINC000472035748 515094198 /nfs/dbraw/zinc/09/41/98/515094198.db2.gz UVHFDPKNJKQSMV-HNNXBMFYSA-N 0 0 352.442 2.721 20 10 FFCDRN COCCN(Cc1ccnn1C)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472277314 515198593 /nfs/dbraw/zinc/19/85/93/515198593.db2.gz OUBXZDOOOPOWIF-UHFFFAOYSA-N 0 0 369.469 2.578 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N2CCc3c2cc(F)cc3F)cn1 ZINC000486180338 515369075 /nfs/dbraw/zinc/36/90/75/515369075.db2.gz RULZZPRLWAXQSJ-UHFFFAOYSA-N 0 0 357.364 2.785 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C(C)(C)S(=O)(=O)N2C ZINC000528828184 516736204 /nfs/dbraw/zinc/73/62/04/516736204.db2.gz TUMAVMQNMMBBCG-UHFFFAOYSA-N 0 0 374.462 2.679 20 10 FFCDRN CCO[C@H]1C[C@H]1NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2 ZINC000514708051 517013895 /nfs/dbraw/zinc/01/38/95/517013895.db2.gz LIDMSGZSYDRUJV-XLIONFOSSA-N 0 0 355.482 2.701 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCCNC(=O)[C@H]1CC=CCC1 ZINC000541373577 517015874 /nfs/dbraw/zinc/01/58/74/517015874.db2.gz LSANWKMEGNHDNB-INIZCTEOSA-N 0 0 371.481 2.731 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000525912250 517230675 /nfs/dbraw/zinc/23/06/75/517230675.db2.gz FIXGNPTZMZCHMU-INIZCTEOSA-N 0 0 363.465 2.942 20 10 FFCDRN CCC[N@@H+](Cc1ccc(OC)cc1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000530173365 517608806 /nfs/dbraw/zinc/60/88/06/517608806.db2.gz VGIXGEWYISHHAA-UHFFFAOYSA-N 0 0 370.409 2.554 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@]1(CO)COc2ccccc2C1 ZINC000527770324 517902061 /nfs/dbraw/zinc/90/20/61/517902061.db2.gz UQRKWYWLTIVHDA-QGZVFWFLSA-N 0 0 364.239 2.611 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@H](C)c1ccccn1 ZINC000578810115 518382430 /nfs/dbraw/zinc/38/24/30/518382430.db2.gz TYSBXLVKYFUFQW-OAHLLOKOSA-N 0 0 364.449 2.718 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)c3nccc(OC)n3)ccc21 ZINC000564665062 518554067 /nfs/dbraw/zinc/55/40/67/518554067.db2.gz FMVZZFLXNHLNPI-UHFFFAOYSA-N 0 0 368.437 2.980 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3Cc4cncnc4C3)ccc21 ZINC000566468759 519509923 /nfs/dbraw/zinc/50/99/23/519509923.db2.gz GXLVHZXBYKTNJH-UHFFFAOYSA-N 0 0 350.422 2.851 20 10 FFCDRN CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccnc2c1CC(=O)N2 ZINC000613776379 520672313 /nfs/dbraw/zinc/67/23/13/520672313.db2.gz GWSAUCVKNDDIFI-UHFFFAOYSA-N 0 0 351.406 2.913 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCn4cncc4C3)ccc21 ZINC000623304602 521926505 /nfs/dbraw/zinc/92/65/05/521926505.db2.gz AYTKNMVXXQEYCP-KRWDZBQOSA-N 0 0 366.465 2.846 20 10 FFCDRN Cc1nn(C)c2ncc(C[N@H+](CC(=O)[O-])Cc3cc(Cl)ccc3O)cc12 ZINC000738918535 600314835 /nfs/dbraw/zinc/31/48/35/600314835.db2.gz OCQCMTMKXRGREM-UHFFFAOYSA-N 0 0 374.828 2.723 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[NH+]2CCN(c3ccccn3)CC2)c1O ZINC000740096486 600377195 /nfs/dbraw/zinc/37/71/95/600377195.db2.gz 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COc1cc(O)c(C[NH+]2CCC([C@@H]3CCCN3C(=O)[O-])CC2)cc1OC ZINC000833887238 605499064 /nfs/dbraw/zinc/49/90/64/605499064.db2.gz CRMJDRPRGBPWIJ-HNNXBMFYSA-N 0 0 364.442 2.764 20 10 FFCDRN COc1cc(N(C)Cc2cc(-c3nn[nH]n3)cs2)cc(OC)c1OC ZINC000826180490 609173974 /nfs/dbraw/zinc/17/39/74/609173974.db2.gz JUDKMKUTHJGMHK-UHFFFAOYSA-N 0 0 361.427 2.590 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(Cl)c(-c3nn[nH]n3)c2)cc1 ZINC000825880184 609286724 /nfs/dbraw/zinc/28/67/24/609286724.db2.gz XKVVBXFETRRQOS-UHFFFAOYSA-N 0 0 356.817 2.516 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CCCS2(=O)=O)c(C)n1-c1ccc(F)cc1 ZINC000154344953 728802336 /nfs/dbraw/zinc/80/23/36/728802336.db2.gz UNGXGIJXDVBGRI-INIZCTEOSA-N 0 0 364.442 2.540 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000154566641 728806956 /nfs/dbraw/zinc/80/69/56/728806956.db2.gz GLOZZZWKFCNPLT-CQSZACIVSA-N 0 0 364.496 2.883 20 10 FFCDRN CC(C)C(=O)N1CCCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154628341 728808570 /nfs/dbraw/zinc/80/85/70/728808570.db2.gz 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Cc1nc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000065434695 728156886 /nfs/dbraw/zinc/15/68/86/728156886.db2.gz KCXDOJQCBLASAA-ZDUSSCGKSA-N 0 0 360.483 2.849 20 10 FFCDRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(Cl)cc1 ZINC000065619488 728157939 /nfs/dbraw/zinc/15/79/39/728157939.db2.gz PSSVGTMEOFXWOW-JTQLQIEISA-N 0 0 368.842 2.908 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](C)Sc3ccccn3)CC2)cc1 ZINC000078597956 728299416 /nfs/dbraw/zinc/29/94/16/728299416.db2.gz GXXAKVRZSJJKRT-HNNXBMFYSA-N 0 0 357.479 2.920 20 10 FFCDRN CCCCCNC(=O)[C@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866067 728426526 /nfs/dbraw/zinc/42/65/26/728426526.db2.gz JCNMBPWOXUSHTF-HNNXBMFYSA-N 0 0 351.466 2.651 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(C[N@H+](C)Cc1ccc(C)s1)cc2=O ZINC000102773276 728492392 /nfs/dbraw/zinc/49/23/92/728492392.db2.gz RMPNKYYCVJEFKA-UHFFFAOYSA-N 0 0 360.439 2.614 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H](C)O1 ZINC000111471969 728536428 /nfs/dbraw/zinc/53/64/28/728536428.db2.gz NSNYIYSTQQBJRK-MAUKXSAKSA-N 0 0 363.527 2.949 20 10 FFCDRN CCC[C@@H](C)CS(=O)(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000113280727 728553777 /nfs/dbraw/zinc/55/37/77/728553777.db2.gz GDDFRZORBJQRSA-CQSZACIVSA-N 0 0 358.479 2.518 20 10 FFCDRN CC(C)n1cnnc1SCC(=O)NCCCSc1nccs1 ZINC000114375694 728560001 /nfs/dbraw/zinc/56/00/01/728560001.db2.gz SCDPYZNURGDJOL-UHFFFAOYSA-N 0 0 357.530 2.706 20 10 FFCDRN O=C(CCNC(=O)C1CCCCC1)NCCCSc1nccs1 ZINC000114375869 728560006 /nfs/dbraw/zinc/56/00/06/728560006.db2.gz NKXRNXWBHROPPL-UHFFFAOYSA-N 0 0 355.529 2.828 20 10 FFCDRN C=C1c2ccccc2C(=O)N1CC(=O)NCCCSc1nccs1 ZINC000114374410 728560020 /nfs/dbraw/zinc/56/00/20/728560020.db2.gz UVZGBJUPIKMKHL-UHFFFAOYSA-N 0 0 359.476 2.868 20 10 FFCDRN CN(Cc1ccccc1O)[C@H](C(N)=O)c1ccc(Br)cc1F ZINC000119528759 728595947 /nfs/dbraw/zinc/59/59/47/728595947.db2.gz GICAFQMIQFHTTH-HNNXBMFYSA-N 0 0 367.218 2.952 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCNC(=O)CC(C)C)cc1F ZINC000119737789 728599458 /nfs/dbraw/zinc/59/94/58/728599458.db2.gz 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/nfs/dbraw/zinc/70/08/72/728700872.db2.gz CXFSPHBWMZPLIH-UHFFFAOYSA-N 0 0 351.244 2.969 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1c(F)ccc(F)c1F ZINC000132956963 728725917 /nfs/dbraw/zinc/72/59/17/728725917.db2.gz JMUGQPSWNQZWQO-UHFFFAOYSA-N 0 0 350.340 2.871 20 10 FFCDRN CCC[C@@H](C)CS(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151256718 728744746 /nfs/dbraw/zinc/74/47/46/728744746.db2.gz XGFMIQQMQCPMGN-CQSZACIVSA-N 0 0 372.506 2.642 20 10 FFCDRN Cc1nn(C)c(NCc2ccc(N3CCOCC3)cc2)c1Br ZINC000902231262 735921543 /nfs/dbraw/zinc/92/15/43/735921543.db2.gz SUCDLNFXVXFIPN-UHFFFAOYSA-N 0 0 365.275 2.940 20 10 FFCDRN Cc1cnc(CCN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000179470502 729186988 /nfs/dbraw/zinc/18/69/88/729186988.db2.gz KEVFJZSCDCUHOY-UHFFFAOYSA-N 0 0 360.527 2.650 20 10 FFCDRN CCCNC(=O)C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000179921464 729198699 /nfs/dbraw/zinc/19/86/99/729198699.db2.gz ZTJIQBNFMIJMCA-UHFFFAOYSA-N 0 0 355.276 2.893 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000778914268 738420526 /nfs/dbraw/zinc/42/05/26/738420526.db2.gz GLKPNTONBCYEBH-ZDUSSCGKSA-N 0 0 350.415 2.504 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSCc1ccc(C#N)cc1 ZINC000183432870 729304026 /nfs/dbraw/zinc/30/40/26/729304026.db2.gz XNMVICSGWZGLCK-CYBMUJFWSA-N 0 0 356.447 2.950 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(-c2ccccn2)s1 ZINC000186403768 729364606 /nfs/dbraw/zinc/36/46/06/729364606.db2.gz PWSMIGVTGYNTMF-NSHDSACASA-N 0 0 355.419 2.977 20 10 FFCDRN CC[C@]1(C)CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCO1 ZINC000187871660 729382051 /nfs/dbraw/zinc/38/20/51/729382051.db2.gz HRMWHAMKJWSJPK-LJQANCHMSA-N 0 0 363.527 2.950 20 10 FFCDRN CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CCN(C)C(=O)C1)CCCC2 ZINC000192696191 729456375 /nfs/dbraw/zinc/45/63/75/729456375.db2.gz MVVSAYPMIKXBOS-NSHDSACASA-N 0 0 364.467 2.611 20 10 FFCDRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CCN(C)C(=O)C1)CCCC2 ZINC000192696172 729456411 /nfs/dbraw/zinc/45/64/11/729456411.db2.gz MVVSAYPMIKXBOS-LLVKDONJSA-N 0 0 364.467 2.611 20 10 FFCDRN C[C@H]([NH2+]CC1(C(N)=O)CCCC1)c1cc(Br)c(F)cc1[O-] ZINC000756586471 736345396 /nfs/dbraw/zinc/34/53/96/736345396.db2.gz SIGVUKYRNAZIPN-VIFPVBQESA-N 0 0 359.239 2.990 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)c1 ZINC000756698477 736352868 /nfs/dbraw/zinc/35/28/68/736352868.db2.gz PMPACFZIDOBZFA-XELLLNAOSA-N 0 0 362.451 2.699 20 10 FFCDRN Cn1ccnc1-c1nnc(NCc2cccc(Br)c2O)o1 ZINC000195028915 729527511 /nfs/dbraw/zinc/52/75/11/729527511.db2.gz NKDVRFJVZUJIKV-UHFFFAOYSA-N 0 0 350.176 2.550 20 10 FFCDRN CS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)/C=C\c1cncc(F)c1 ZINC000255558139 729642792 /nfs/dbraw/zinc/64/27/92/729642792.db2.gz VGLDXTQXCDZZLG-DAXSKMNVSA-N 0 0 360.410 2.617 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cnc1Cl ZINC000303726756 729734263 /nfs/dbraw/zinc/73/42/63/729734263.db2.gz XTXOOHWQJNRBKF-UHFFFAOYSA-N 0 0 357.838 2.727 20 10 FFCDRN COc1cc(C)sc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856210913 730316109 /nfs/dbraw/zinc/31/61/09/730316109.db2.gz BDGZDUHULLLJGM-UHFFFAOYSA-N 0 0 360.479 2.956 20 10 FFCDRN CCS[C@H](C)c1noc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000779534827 738469270 /nfs/dbraw/zinc/46/92/70/738469270.db2.gz RPQHQSABIBRQBM-LXSSAFMLSA-N 0 0 363.439 2.967 20 10 FFCDRN CC(C)(C)OC(=O)NCC(C)(C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779483403 738467744 /nfs/dbraw/zinc/46/77/44/738467744.db2.gz KNYKKFUYPHNTRI-VQHVLOKHSA-N 0 0 350.415 2.531 20 10 FFCDRN Cc1ccc(C(=O)N[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000856507426 730343891 /nfs/dbraw/zinc/34/38/91/730343891.db2.gz YAMQOEDCNRTNLO-SFHVURJKSA-N 0 0 350.415 2.536 20 10 FFCDRN CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000856595182 730346674 /nfs/dbraw/zinc/34/66/74/730346674.db2.gz PSESZXAMRITKGS-QGZVFWFLSA-N 0 0 369.824 2.700 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)OCc1ccccc1Cl ZINC000779520086 738468812 /nfs/dbraw/zinc/46/88/12/738468812.db2.gz HGQREODGNUYPHK-SOFGYWHQSA-N 0 0 361.781 2.624 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@H](O)c1c(F)cccc1Cl ZINC000779528393 738468919 /nfs/dbraw/zinc/46/89/19/738468919.db2.gz HOGSDPOACXHVFS-ZKKXHLJNSA-N 0 0 351.761 2.753 20 10 FFCDRN O=C(NCC[C@@H]1CC1(F)F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000856825293 730360772 /nfs/dbraw/zinc/36/07/72/730360772.db2.gz BSJHUPWUNBANQV-CYBMUJFWSA-N 0 0 357.376 2.507 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCC[C@H]3CC3(F)F)CC2)cc1F ZINC000856883946 730363967 /nfs/dbraw/zinc/36/39/67/730363967.db2.gz PZZQYOXWVKWROF-LBPRGKRZSA-N 0 0 357.376 2.711 20 10 FFCDRN C[C@@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C ZINC000857741039 730408955 /nfs/dbraw/zinc/40/89/55/730408955.db2.gz VMLJSBOPVLFLEG-VFFGBVLKSA-N 0 0 350.415 2.531 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1C[C@@]1(C)Br ZINC000858201795 730419670 /nfs/dbraw/zinc/41/96/70/730419670.db2.gz WDGRIUORYHVTPS-NVXWUHKLSA-N 0 0 367.287 2.655 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1C[C@]1(C)Br ZINC000858201796 730419684 /nfs/dbraw/zinc/41/96/84/730419684.db2.gz WDGRIUORYHVTPS-RDJZCZTQSA-N 0 0 367.287 2.655 20 10 FFCDRN CC(C)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(=O)N1CCCC1 ZINC000858292487 730421967 /nfs/dbraw/zinc/42/19/67/730421967.db2.gz JUQPWJIEWHGWTQ-UHFFFAOYSA-N 0 0 355.822 2.692 20 10 FFCDRN O=c1nc(Cl)cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)[nH]1 ZINC000858356486 730423697 /nfs/dbraw/zinc/42/36/97/730423697.db2.gz XWGFUVPQBXCZLS-UHFFFAOYSA-N 0 0 352.797 2.548 20 10 FFCDRN CCn1ncc(CN[C@H](C)c2cc(Br)cc(OC)c2O)n1 ZINC000858444088 730425887 /nfs/dbraw/zinc/42/58/87/730425887.db2.gz IXEOEINBYLASSC-SECBINFHSA-N 0 0 355.236 2.626 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000858908978 730436296 /nfs/dbraw/zinc/43/62/96/730436296.db2.gz HGNQMKVWRSSOOW-TZMCWYRMSA-N 0 0 355.232 2.521 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)c3ccns3)CC2)cc1F ZINC000858961017 730438144 /nfs/dbraw/zinc/43/81/44/730438144.db2.gz KCJQLOMLVDVOEZ-GFCCVEGCSA-N 0 0 364.446 2.884 20 10 FFCDRN COCCCCS(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000859362607 730452024 /nfs/dbraw/zinc/45/20/24/730452024.db2.gz FBDNEQQUUXPUKA-UHFFFAOYSA-N 0 0 350.484 2.940 20 10 FFCDRN CC(C)(C)OC(=O)C1(C(=O)NCc2ccc(O)c(O)c2)CCSCC1 ZINC000860243654 730493522 /nfs/dbraw/zinc/49/35/22/730493522.db2.gz SVFJPQDIBNOFBW-UHFFFAOYSA-N 0 0 367.467 2.569 20 10 FFCDRN CN(C/C=C/C(=O)NCc1ccc2cccnc2c1O)CC(F)(F)F ZINC000862026756 730662300 /nfs/dbraw/zinc/66/23/00/730662300.db2.gz ZMCVWKVDXKHINV-HWKANZROSA-N 0 0 353.344 2.607 20 10 FFCDRN O=C(CCOCC(F)(F)C(F)F)NCc1ccc2cccnc2c1O ZINC000862026712 730662305 /nfs/dbraw/zinc/66/23/05/730662305.db2.gz XZXZWNDSRRJSJU-UHFFFAOYSA-N 0 0 360.307 2.864 20 10 FFCDRN CC(C)(C)OC(=O)[C@H]1CN(Cc2c(O)cccc2Br)CCO1 ZINC000862247597 730681386 /nfs/dbraw/zinc/68/13/86/730681386.db2.gz JQZFTJVEBNNZPP-CQSZACIVSA-N 0 0 372.259 2.697 20 10 FFCDRN O=C1CCC[C@H]1[C@H]1COCCN1Cc1c(O)cccc1Br ZINC000862337085 730689960 /nfs/dbraw/zinc/68/99/60/730689960.db2.gz QITNBMGLTFYUQA-SMDDNHRTSA-N 0 0 354.244 2.725 20 10 FFCDRN CS(=O)(=O)[C@@H]1CCCCN(Cc2c(O)cccc2Br)C1 ZINC000862349197 730690531 /nfs/dbraw/zinc/69/05/31/730690531.db2.gz SGFFBIQEMBIVIO-LLVKDONJSA-N 0 0 362.289 2.554 20 10 FFCDRN CC[C@@H]1[C@@H](NC(=O)c2cccc(O)c2O)CCN1C(=O)OC(C)(C)C ZINC000862850028 730730323 /nfs/dbraw/zinc/73/03/23/730730323.db2.gz DUPKTZAUEZHMTL-QWHCGFSZSA-N 0 0 350.415 2.616 20 10 FFCDRN COC(=O)COCCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000862953569 730737209 /nfs/dbraw/zinc/73/72/09/730737209.db2.gz RHQWJRTUYJYDAI-UHFFFAOYSA-N 0 0 364.829 2.667 20 10 FFCDRN CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(F)c(N(C)C)cc1F ZINC000863387835 730775039 /nfs/dbraw/zinc/77/50/39/730775039.db2.gz MJFWUAJMBUGLOX-HNNXBMFYSA-N 0 0 353.369 2.564 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1cccc(Cl)c1 ZINC000863762829 730806896 /nfs/dbraw/zinc/80/68/96/730806896.db2.gz HCOKRJOHKAZSNY-CXAGYDPISA-N 0 0 358.825 2.993 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(F)cc1Br ZINC000768899749 737474442 /nfs/dbraw/zinc/47/44/42/737474442.db2.gz PHKJHMBLSBFNQI-UHFFFAOYSA-N 0 0 354.175 2.972 20 10 FFCDRN C[C@H](NC(=S)NCCc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000865270047 730933404 /nfs/dbraw/zinc/93/34/04/730933404.db2.gz JHBNEAVXMWZOSF-ZDUSSCGKSA-N 0 0 358.463 2.931 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC[C@@H]1CCSC1 ZINC000865314817 730940692 /nfs/dbraw/zinc/94/06/92/730940692.db2.gz ZPLMDLRCLASSIG-LLVKDONJSA-N 0 0 354.859 2.953 20 10 FFCDRN CC(C)C1(S(=O)(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000866532223 731071398 /nfs/dbraw/zinc/07/13/98/731071398.db2.gz LPHNRUFKZSQCHB-UHFFFAOYSA-N 0 0 354.541 2.848 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)C[C@H]3CCC3(F)F)CC2)cc1 ZINC000866707968 731089842 /nfs/dbraw/zinc/08/98/42/731089842.db2.gz CEDITDPTIJTTST-CYBMUJFWSA-N 0 0 374.453 2.629 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2nnc(C)s2)cc1F ZINC000780014869 738506842 /nfs/dbraw/zinc/50/68/42/738506842.db2.gz MTXHTGHSIHOQBL-UHFFFAOYSA-N 0 0 351.451 2.831 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)c1ccncc1 ZINC000867223229 731157149 /nfs/dbraw/zinc/15/71/49/731157149.db2.gz FPLNICOUIPGLSX-GFCCVEGCSA-N 0 0 362.813 2.746 20 10 FFCDRN O=C(CCCOC1CCOCC1)NCc1cccc(Br)c1O ZINC000867830503 731231371 /nfs/dbraw/zinc/23/13/71/731231371.db2.gz AMTCSIRRUMBFPX-UHFFFAOYSA-N 0 0 372.259 2.747 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1c[nH]nc1[C@H]1CCCO1 ZINC000867830960 731231645 /nfs/dbraw/zinc/23/16/45/731231645.db2.gz MNGRCJBDPDDOFB-GFCCVEGCSA-N 0 0 366.215 2.659 20 10 FFCDRN C[C@H](NS(=O)(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1O ZINC000867834994 731232232 /nfs/dbraw/zinc/23/22/32/731232232.db2.gz YQLCKHYHJJMDFJ-ZDUSSCGKSA-N 0 0 360.435 2.559 20 10 FFCDRN Nc1ccc(CC(=O)NCc2nc(C(F)(F)F)n3c2CCCC3)cc1 ZINC000867999220 731249818 /nfs/dbraw/zinc/24/98/18/731249818.db2.gz VUACFLCAXAZKGX-UHFFFAOYSA-N 0 0 352.360 2.679 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H](O)c3c[nH]cn3)cc2Cl)C1 ZINC000868066559 731255909 /nfs/dbraw/zinc/25/59/09/731255909.db2.gz YZXRSGNIEPYEEX-SJKOYZFVSA-N 0 0 362.861 2.649 20 10 FFCDRN C[C@@H](NC(=O)NCc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 ZINC000868515915 731299931 /nfs/dbraw/zinc/29/99/31/731299931.db2.gz WWLIEGPWDJWDNI-LLVKDONJSA-N 0 0 351.401 2.984 20 10 FFCDRN C[C@H](NC(=O)[C@H]1CSCCS1)c1ccc(N2CCOCC2)cc1 ZINC000920880470 737932691 /nfs/dbraw/zinc/93/26/91/737932691.db2.gz ASRNLELOWGRJGY-XJKSGUPXSA-N 0 0 352.525 2.549 20 10 FFCDRN Cc1cc(Br)cc(CN2CCN(C(=O)C3CC3)CC2)c1O ZINC000775646888 738109212 /nfs/dbraw/zinc/10/92/12/738109212.db2.gz PLVGVLIWLHDVJP-UHFFFAOYSA-N 0 0 353.260 2.517 20 10 FFCDRN O=C([C@@H]1CCN(c2cccc(Cl)c2)C1=O)N1Cc2cccc(O)c2C1 ZINC000871202424 731605620 /nfs/dbraw/zinc/60/56/20/731605620.db2.gz GZTOXAFZMVXQQL-HNNXBMFYSA-N 0 0 356.809 2.941 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCc1ccccc1F ZINC000656624022 731611494 /nfs/dbraw/zinc/61/14/94/731611494.db2.gz HYOWIVWTOIEBLO-UHFFFAOYSA-N 0 0 364.442 2.663 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(Br)cc(Cl)c1[O-] ZINC000872141224 731733210 /nfs/dbraw/zinc/73/32/10/731733210.db2.gz RAQOVGNEQZLOEK-NZXMKCKXSA-N 0 0 350.640 2.609 20 10 FFCDRN O=S(=O)(NN=c1[nH]c2ccncc2s1)c1cccc2c1CCCC2 ZINC000872384918 731759635 /nfs/dbraw/zinc/75/96/35/731759635.db2.gz PNHLNZQKJQFOJH-UHFFFAOYSA-N 0 0 360.464 2.876 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC(F)(F)C[C@H]2CO)cc1F ZINC000780428530 738542858 /nfs/dbraw/zinc/54/28/58/738542858.db2.gz GGMVSGFRURZQQW-ZDUSSCGKSA-N 0 0 359.392 2.583 20 10 FFCDRN COc1ccc(CNCc2csc(N(C)C)n2)cc1Cn1cccn1 ZINC000873068472 731870771 /nfs/dbraw/zinc/87/07/71/731870771.db2.gz PUMGIXUUNWTFSR-UHFFFAOYSA-N 0 0 357.483 2.752 20 10 FFCDRN O=C(Nc1nc2c(s1)CCCCC2)C(=O)N1Cc2cccc(O)c2C1 ZINC000874100905 732010185 /nfs/dbraw/zinc/01/01/85/732010185.db2.gz WXOBQYPSJBAHCR-UHFFFAOYSA-N 0 0 357.435 2.599 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N[C@@H](C1CCCC1)C(F)(F)F)c1ccccc1O ZINC000874191651 732023616 /nfs/dbraw/zinc/02/36/16/732023616.db2.gz KIBBDGOOZGINEA-YGRLFVJLSA-N 0 0 358.360 2.807 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCN(c3ncccc3Cl)C2)c1 ZINC000875370940 732148737 /nfs/dbraw/zinc/14/87/37/732148737.db2.gz MNHSYKUYCMBCLN-CQSZACIVSA-N 0 0 360.845 2.827 20 10 FFCDRN Cc1ccc(C(=O)NC[C@H](O)c2ccccc2C(F)(F)F)c(O)c1O ZINC000780967232 738591059 /nfs/dbraw/zinc/59/10/59/738591059.db2.gz DXEZVNIDASTZEQ-ZDUSSCGKSA-N 0 0 355.312 2.888 20 10 FFCDRN [O-]c1c(C[NH2+]Cc2ccncc2OC[C@H]2CCOC2)ccc(F)c1F ZINC000877534205 732382776 /nfs/dbraw/zinc/38/27/76/732382776.db2.gz BCZBUAORNVNOOO-LBPRGKRZSA-N 0 0 350.365 2.771 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000877701432 732416383 /nfs/dbraw/zinc/41/63/83/732416383.db2.gz WDVMSLGBFPHHTF-QWRGUYRKSA-N 0 0 365.065 2.920 20 10 FFCDRN C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000877729339 732420660 /nfs/dbraw/zinc/42/06/60/732420660.db2.gz POOLSFJBZVPIAS-NSHDSACASA-N 0 0 355.406 2.967 20 10 FFCDRN O=C1N[C@@H](c2cc(O)cc(Br)c2O)Nc2cc(F)c(F)cc21 ZINC000877859162 732445877 /nfs/dbraw/zinc/44/58/77/732445877.db2.gz QKCYORFMXDHJPT-ZDUSSCGKSA-N 0 0 371.137 2.993 20 10 FFCDRN COc1ccc(N2CCN(Cc3nccn3CC(F)F)CC2)cc1F ZINC000878181492 732494692 /nfs/dbraw/zinc/49/46/92/732494692.db2.gz PZTBCLKJIDRIHB-UHFFFAOYSA-N 0 0 354.376 2.618 20 10 FFCDRN Cn1nc2c(c1C(=O)NCCCSc1nccs1)CSCC2 ZINC000878834783 732602596 /nfs/dbraw/zinc/60/25/96/732602596.db2.gz VTIFTZWADRRSJG-UHFFFAOYSA-N 0 0 354.526 2.578 20 10 FFCDRN COCOc1ccc(CCC(=O)OC)cc1NC(=O)C1=CC(=O)CS1 ZINC000926909938 738667640 /nfs/dbraw/zinc/66/76/40/738667640.db2.gz DIWLIGDTXCSCCY-UHFFFAOYSA-N 0 0 365.407 2.794 20 10 FFCDRN CCOC(=O)[C@@H]1CSCCN1Cc1cc(C)cc(Br)c1O ZINC000781894033 738668860 /nfs/dbraw/zinc/66/88/60/738668860.db2.gz DKAPTHCFWSVRJW-ZDUSSCGKSA-N 0 0 374.300 2.944 20 10 FFCDRN Cc1cc(Br)c(O)c(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000781896714 738668881 /nfs/dbraw/zinc/66/88/81/738668881.db2.gz MMPVRCNKJZMLFE-ZDUSSCGKSA-N 0 0 374.300 2.615 20 10 FFCDRN CC(=O)NC[C@@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781901901 738669878 /nfs/dbraw/zinc/66/98/78/738669878.db2.gz WBBLUJNLBDLBLG-ZDUSSCGKSA-N 0 0 355.276 2.811 20 10 FFCDRN COC[C@@H](CS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1)OC ZINC000881912975 733135159 /nfs/dbraw/zinc/13/51/59/733135159.db2.gz PLKJWZZIAODPIS-KRWDZBQOSA-N 0 0 371.499 2.518 20 10 FFCDRN CN1CCc2c(cccc2S(=O)(=O)NCc2cc(Cl)ccc2O)C1 ZINC000882320179 733208345 /nfs/dbraw/zinc/20/83/45/733208345.db2.gz GLRVXRXUKUWSFY-UHFFFAOYSA-N 0 0 366.870 2.512 20 10 FFCDRN C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCOCC2)c1cc(Br)cc(F)c1[O-] ZINC000927156811 738698104 /nfs/dbraw/zinc/69/81/04/738698104.db2.gz RARDKZXTKDLYJO-QCZZGDTMSA-N 0 0 374.250 2.874 20 10 FFCDRN Cc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC000882961424 733314935 /nfs/dbraw/zinc/31/49/35/733314935.db2.gz NDVCCSGJERYFOD-NSHDSACASA-N 0 0 371.666 2.813 20 10 FFCDRN CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000882995547 733319468 /nfs/dbraw/zinc/31/94/68/733319468.db2.gz CHFLKPOSZIOEIF-MRVPVSSYSA-N 0 0 370.696 2.721 20 10 FFCDRN CC(C)(C)OC(=O)NC(C)(C)CCNC(=O)NCc1ccccc1O ZINC000883250278 733355910 /nfs/dbraw/zinc/35/59/10/733355910.db2.gz LZUGRNSMPIHGKR-UHFFFAOYSA-N 0 0 351.447 2.885 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F)c1[O-] ZINC000883366716 733374343 /nfs/dbraw/zinc/37/43/43/733374343.db2.gz YQJPFJVKXOIYEI-QMMMGPOBSA-N 0 0 364.654 2.602 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNc3nnc(C(F)F)s3)cc2)CC1 ZINC000884693519 733550224 /nfs/dbraw/zinc/55/02/24/733550224.db2.gz CKPDXTJDDPTPHW-UHFFFAOYSA-N 0 0 367.425 2.790 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2c([O-])cccc2F)cc1 ZINC000886511510 733799579 /nfs/dbraw/zinc/79/95/79/733799579.db2.gz VTHZTHATRCLBJT-RYUDHWBXSA-N 0 0 352.431 2.851 20 10 FFCDRN Cn1cc([C@H]2CSCCCN2C(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC000888888096 734112012 /nfs/dbraw/zinc/11/20/12/734112012.db2.gz CZMUSPRIGMBBNF-CSPWOOARSA-N 0 0 359.451 2.551 20 10 FFCDRN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890757896 734336281 /nfs/dbraw/zinc/33/62/81/734336281.db2.gz MFDQIAKQSJBDCU-MFKMUULPSA-N 0 0 356.875 2.609 20 10 FFCDRN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890757897 734336335 /nfs/dbraw/zinc/33/63/35/734336335.db2.gz MFDQIAKQSJBDCU-ZWNOBZJWSA-N 0 0 356.875 2.609 20 10 FFCDRN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890758065 734336398 /nfs/dbraw/zinc/33/63/98/734336398.db2.gz QQHGEBORSSBRBJ-LBPRGKRZSA-N 0 0 356.875 2.609 20 10 FFCDRN CN(CCCNC(=S)Nc1ccc(CC(N)=O)cc1)c1ccccc1 ZINC000726463172 734427257 /nfs/dbraw/zinc/42/72/57/734427257.db2.gz QLEPINFUEXGOKZ-UHFFFAOYSA-N 0 0 356.495 2.527 20 10 FFCDRN CCOCCNC(=S)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726494644 734431499 /nfs/dbraw/zinc/43/14/99/734431499.db2.gz ZYVNJHURNHUCFY-UHFFFAOYSA-N 0 0 373.469 2.757 20 10 FFCDRN O=C(N[C@H]1CCCN2CCSC[C@@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000928071308 738815987 /nfs/dbraw/zinc/81/59/87/738815987.db2.gz CLFBYJLKTOOUBV-RYUDHWBXSA-N 0 0 364.492 2.622 20 10 FFCDRN Cc1nc(NC(=O)[C@H](C)OC(=O)c2ccc(C)c(O)c2O)sc1C ZINC000727005493 734459427 /nfs/dbraw/zinc/45/94/27/734459427.db2.gz RCTODAUPSRDRRH-VIFPVBQESA-N 0 0 350.396 2.664 20 10 FFCDRN Nc1ccc2c(c1)CN(C(=O)NCCCSc1nccs1)CCO2 ZINC000891675024 734460288 /nfs/dbraw/zinc/46/02/88/734460288.db2.gz WPQPDVPHLNRSJT-UHFFFAOYSA-N 0 0 364.496 2.812 20 10 FFCDRN COCCN(Cc1scnc1C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000783658515 738823700 /nfs/dbraw/zinc/82/37/00/738823700.db2.gz IAGWLOQHELBNKS-UHFFFAOYSA-N 0 0 362.499 2.876 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2[nH]nc(C)c2Br)c1 ZINC000728983026 734552987 /nfs/dbraw/zinc/55/29/87/734552987.db2.gz SASGREDNXFXODU-ZETCQYMHSA-N 0 0 354.204 2.686 20 10 FFCDRN COc1cc(Br)cc(CNC(C)(C)c2noc(C)n2)c1O ZINC000729854915 734599344 /nfs/dbraw/zinc/59/93/44/734599344.db2.gz HZJGOHXUPSZJAM-UHFFFAOYSA-N 0 0 356.220 2.880 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCOC[C@@H]2CCCO2)cc1F ZINC000731345890 734675183 /nfs/dbraw/zinc/67/51/83/734675183.db2.gz NILMFJGGGPKKTL-INIZCTEOSA-N 0 0 352.450 2.874 20 10 FFCDRN COc1ccc(NC(=S)NNc2ccccc2S(C)(=O)=O)cc1F ZINC000731951116 734709481 /nfs/dbraw/zinc/70/94/81/734709481.db2.gz FXZDUQNMIDKXQX-UHFFFAOYSA-N 0 0 369.443 2.551 20 10 FFCDRN COc1ccc(CN2CCN(C(=O)C3=CC(=O)CS3)CC2)cc1F ZINC000732258120 734728575 /nfs/dbraw/zinc/72/85/75/734728575.db2.gz NMROQYNIIITORK-UHFFFAOYSA-N 0 0 350.415 2.559 20 10 FFCDRN NC(=O)[C@@H](OC(=O)C1=CC(=O)CS1)c1ccc(Br)cc1 ZINC000732353760 734736878 /nfs/dbraw/zinc/73/68/78/734736878.db2.gz USHXNLQFRDFGJB-NSHDSACASA-N 0 0 356.197 2.600 20 10 FFCDRN COc1cc(OC)c(NC(=O)COC(=O)C2=CC(=O)CS2)cc1Cl ZINC000732355348 734737141 /nfs/dbraw/zinc/73/71/41/734737141.db2.gz KUEINFSDGAAZEG-UHFFFAOYSA-N 0 0 371.798 2.920 20 10 FFCDRN CN(C)C(=O)C1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893901584 734769422 /nfs/dbraw/zinc/76/94/22/734769422.db2.gz BRZQCCYYMSLITJ-UHFFFAOYSA-N 0 0 359.239 2.594 20 10 FFCDRN CNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894021717 734788217 /nfs/dbraw/zinc/78/82/17/734788217.db2.gz YSXICRAYKPUOCE-VIFPVBQESA-N 0 0 361.667 2.766 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894048180 734792759 /nfs/dbraw/zinc/79/27/59/734792759.db2.gz ZKMYZCGALWWJSQ-QWHCGFSZSA-N 0 0 360.223 2.878 20 10 FFCDRN Cc1cc(N2CCC([NH2+]Cc3cccc(Br)c3[O-])CC2)n[nH]1 ZINC000783997700 738854166 /nfs/dbraw/zinc/85/41/66/738854166.db2.gz WMWNHUUPMHOCFD-UHFFFAOYSA-N 0 0 365.275 2.945 20 10 FFCDRN O=C(CNC(=O)c1cccc(Cl)c1)NCCCSc1nccs1 ZINC000733971696 734864399 /nfs/dbraw/zinc/86/43/99/734864399.db2.gz BORFYELJZKABID-UHFFFAOYSA-N 0 0 369.899 2.825 20 10 FFCDRN CC(=O)N/C(=C/c1ccccc1)C(=O)NCCCSc1nccs1 ZINC000733973179 734864994 /nfs/dbraw/zinc/86/49/94/734864994.db2.gz WIAHKYCEEHHHGG-NTCAYCPXSA-N 0 0 361.492 2.919 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1ccc2c(c1)OCO2 ZINC000734513377 734901444 /nfs/dbraw/zinc/90/14/44/734901444.db2.gz XHPLSSAFIPCGDI-UHFFFAOYSA-N 0 0 351.453 2.853 20 10 FFCDRN CN(c1ccc(CNS(=O)(=O)N(C)C2CC2)cc1)C1CCCCC1 ZINC000736333753 734982500 /nfs/dbraw/zinc/98/25/00/734982500.db2.gz NSTIERGYMIRKPI-UHFFFAOYSA-N 0 0 351.516 2.884 20 10 FFCDRN C[C@](CO)([NH2+]Cc1cc(Br)cc(F)c1[O-])c1cccc(O)c1 ZINC000895390316 734999601 /nfs/dbraw/zinc/99/96/01/734999601.db2.gz WPXLDSHWSNQDJR-MRXNPFEDSA-N 0 0 370.218 2.997 20 10 FFCDRN O=C1NCCC12CC[NH+](Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC000895471097 735011680 /nfs/dbraw/zinc/01/16/80/735011680.db2.gz QOYMNOCWIGLPFR-UHFFFAOYSA-N 0 0 373.678 2.910 20 10 FFCDRN O=S(=O)(c1ccc(NCc2c(O)cccc2F)nc1)N1CCCCC1 ZINC000895837520 735062135 /nfs/dbraw/zinc/06/21/35/735062135.db2.gz MGLRBCQKHHXGGP-UHFFFAOYSA-N 0 0 365.430 2.713 20 10 FFCDRN CN1CCC[C@@H]1c1cc(C(=O)NCCCSc2nccs2)[nH]n1 ZINC000896334334 735140344 /nfs/dbraw/zinc/14/03/44/735140344.db2.gz MCRLPXSTVVCJMR-CYBMUJFWSA-N 0 0 351.501 2.545 20 10 FFCDRN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)NCc3cccc(Cl)c3O)O2)CO1 ZINC000896521720 735172372 /nfs/dbraw/zinc/17/23/72/735172372.db2.gz LFIYDIXWWUKBRF-CJBNDPTMSA-N 0 0 354.834 2.571 20 10 FFCDRN C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)NCc3cccc(Cl)c3O)O2)[C@H]1C ZINC000896522647 735172727 /nfs/dbraw/zinc/17/27/27/735172727.db2.gz KQAHOCFORNQFBC-PZOITXESSA-N 0 0 368.861 2.817 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000896581538 735175859 /nfs/dbraw/zinc/17/58/59/735175859.db2.gz ZWRGFIJOESYZLS-GXSJLCMTSA-N 0 0 352.740 2.955 20 10 FFCDRN COc1c([O-])c(C[NH2+]CC[C@H]2CC[C@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000896810797 735184376 /nfs/dbraw/zinc/18/43/76/735184376.db2.gz CEGSYSLFDNFHHI-ZYHUDNBSSA-N 0 0 364.320 2.899 20 10 FFCDRN COC(=O)c1cnc([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])C2)s1 ZINC000896971304 735190204 /nfs/dbraw/zinc/19/02/04/735190204.db2.gz OXLLQTGXNMQCSU-JTQLQIEISA-N 0 0 354.378 2.903 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000742893872 735261282 /nfs/dbraw/zinc/26/12/82/735261282.db2.gz ZPOCHMOFYYCGQT-DJSGYFEHSA-N 0 0 357.479 2.895 20 10 FFCDRN COC(=O)c1cnc(SC[C@](C)(O)C(F)(F)C(F)(F)F)s1 ZINC000899886782 735565462 /nfs/dbraw/zinc/56/54/62/735565462.db2.gz KLSNEZQNMSXHMK-QMMMGPOBSA-N 0 0 351.318 2.970 20 10 FFCDRN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NCc1ccccc1O ZINC000748350002 735637175 /nfs/dbraw/zinc/63/71/75/735637175.db2.gz OZDUYWMFSCEDRQ-UHFFFAOYSA-N 0 0 353.205 2.745 20 10 FFCDRN CC[C@H](O)[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000900867826 735709812 /nfs/dbraw/zinc/70/98/12/735709812.db2.gz OSRXZSMKZCAVDN-IOASZLSFSA-N 0 0 356.413 2.780 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1 ZINC000750851520 735820145 /nfs/dbraw/zinc/82/01/45/735820145.db2.gz ANAUFDIOEYCIQN-HNNXBMFYSA-N 0 0 365.499 2.679 20 10 FFCDRN COC(=O)[C@@H](C)CS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000751136581 735848497 /nfs/dbraw/zinc/84/84/97/735848497.db2.gz IYCRUSQCEAGLGV-AWEZNQCLSA-N 0 0 369.483 2.666 20 10 FFCDRN COC(=O)c1cc(C)c(C)c(S(=O)(=O)N(C)Cc2ccccc2O)c1 ZINC000751234852 735855982 /nfs/dbraw/zinc/85/59/82/735855982.db2.gz AOAKTSINXZYJRG-UHFFFAOYSA-N 0 0 363.435 2.616 20 10 FFCDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N(C)Cc2ccccc2O)c1 ZINC000751236370 735856110 /nfs/dbraw/zinc/85/61/10/735856110.db2.gz UEXXPQMODLUMAB-UHFFFAOYSA-N 0 0 369.826 2.653 20 10 FFCDRN COc1cc(C)c(S(=O)(=O)NCc2cccc(OC)c2O)cc1C ZINC000751305614 735862774 /nfs/dbraw/zinc/86/27/74/735862774.db2.gz LUCLEPMOIBFBBX-UHFFFAOYSA-N 0 0 351.424 2.505 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2c(C)cc(OC)cc2C)c1 ZINC000751415131 735871806 /nfs/dbraw/zinc/87/18/06/735871806.db2.gz KXBRJQFEZPQYSV-UHFFFAOYSA-N 0 0 351.424 2.505 20 10 FFCDRN C[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)NC(C)(C)C ZINC000751935995 735937567 /nfs/dbraw/zinc/93/75/67/735937567.db2.gz GIYDTDGKTQHRKX-LLVKDONJSA-N 0 0 361.467 2.776 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cnn(-c3ccc(Cl)cc3)n2)c1 ZINC000752132064 735959173 /nfs/dbraw/zinc/95/91/73/735959173.db2.gz RYWMKQYAUJNCGG-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN COc1nn(C)cc1C[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000903337354 736077287 /nfs/dbraw/zinc/07/72/87/736077287.db2.gz IQENFPJHXQTDQK-QMMMGPOBSA-N 0 0 358.211 2.887 20 10 FFCDRN CCOC(=O)c1sc([C@@H](C)NC(=O)c2cccc(O)c2O)nc1C ZINC000790875213 739507799 /nfs/dbraw/zinc/50/77/99/739507799.db2.gz DXUKSWJALNKFEB-SECBINFHSA-N 0 0 350.396 2.530 20 10 FFCDRN C[C@]1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOC1 ZINC000754320500 736147130 /nfs/dbraw/zinc/14/71/30/736147130.db2.gz PFBFHAPZDQBOHY-UGSOOPFHSA-N 0 0 354.397 2.800 20 10 FFCDRN CN(C)c1cccc(CNC(=S)Nc2ccc3c(c2)OCCCO3)n1 ZINC000754691738 736188320 /nfs/dbraw/zinc/18/83/20/736188320.db2.gz KBVGYBIJORVTBV-UHFFFAOYSA-N 0 0 358.467 2.796 20 10 FFCDRN COC[C@H](C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000755199627 736241502 /nfs/dbraw/zinc/24/15/02/736241502.db2.gz DBIBBRJGSHGFDF-ILXRZTDVSA-N 0 0 352.450 2.728 20 10 FFCDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)C2=CC(=O)CS2)sc1C ZINC000792675111 739691761 /nfs/dbraw/zinc/69/17/61/739691761.db2.gz ZRALLLGULQRKSS-JTQLQIEISA-N 0 0 352.437 2.983 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])cc1 ZINC000756459893 736333119 /nfs/dbraw/zinc/33/31/19/736333119.db2.gz PZNPRZTXTLZTRX-GHMZBOCLSA-N 0 0 370.421 2.990 20 10 FFCDRN C[C@H]([NH2+]C[C@@H](O)COc1cccc(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756459534 736333143 /nfs/dbraw/zinc/33/31/43/736333143.db2.gz OUFBPUZWDWXZMP-SMDDNHRTSA-N 0 0 350.346 2.530 20 10 FFCDRN CC(C)OC(=O)N1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756709119 736353731 /nfs/dbraw/zinc/35/37/31/736353731.db2.gz XDTAJFVHWBZSBF-GFCCVEGCSA-N 0 0 351.403 2.960 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)c2c(F)cccc2F)c1 ZINC000756741259 736357293 /nfs/dbraw/zinc/35/72/93/736357293.db2.gz WTZIKOWPOJVBOB-HWPZZCPQSA-N 0 0 351.349 2.841 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=S)Nc3ccsc3)cc2)CC1 ZINC000905579425 736363328 /nfs/dbraw/zinc/36/33/28/736363328.db2.gz MDKUXPSHRQYITB-UHFFFAOYSA-N 0 0 374.535 2.936 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CC=C(C(F)(F)F)CC2)cc1 ZINC000757118450 736394160 /nfs/dbraw/zinc/39/41/60/736394160.db2.gz VHDHUBZIKAAVLM-UHFFFAOYSA-N 0 0 355.404 2.905 20 10 FFCDRN COc1ccc(NC(=O)NCCCSc2nccs2)c(OC)n1 ZINC000758595090 736504362 /nfs/dbraw/zinc/50/43/62/736504362.db2.gz OHHSDRWJHXUZKX-UHFFFAOYSA-N 0 0 354.457 2.859 20 10 FFCDRN Cc1cc(C(=O)NC(C)(C)CS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 ZINC000759266529 736558614 /nfs/dbraw/zinc/55/86/14/736558614.db2.gz OCRGZFWYYOFORL-UHFFFAOYSA-N 0 0 366.458 2.786 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC[C@H](n2ccnc2)C1 ZINC000759601229 736580133 /nfs/dbraw/zinc/58/01/33/736580133.db2.gz MNIAODZTYXXDEB-ZDUSSCGKSA-N 0 0 351.501 2.869 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc(C3N=NC(=S)O3)cc2)c1 ZINC000759957369 736606169 /nfs/dbraw/zinc/60/61/69/736606169.db2.gz CTVRLNHREJFZMS-UHFFFAOYSA-N 0 0 357.391 2.670 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1noc2ccccc12 ZINC000760565216 736650597 /nfs/dbraw/zinc/65/05/97/736650597.db2.gz IUUWACNJAUSOBQ-UHFFFAOYSA-N 0 0 359.451 2.822 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1ccc(O)cc1 ZINC000761076475 736693405 /nfs/dbraw/zinc/69/34/05/736693405.db2.gz JBXLGEIPFNFTLV-UHFFFAOYSA-N 0 0 360.797 2.758 20 10 FFCDRN COc1cc(Cl)cc(CN2CCNC(=O)[C@@H]2c2ccccc2F)c1O ZINC000761217403 736708416 /nfs/dbraw/zinc/70/84/16/736708416.db2.gz USABENOAVMDBFD-INIZCTEOSA-N 0 0 364.804 2.866 20 10 FFCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000761610364 736748402 /nfs/dbraw/zinc/74/84/02/736748402.db2.gz YGLXUIOOKXUTRM-IRXDYDNUSA-N 0 0 360.479 2.863 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc2ccccn21 ZINC000761709949 736755590 /nfs/dbraw/zinc/75/55/90/736755590.db2.gz GRZPXOQRKQWIFO-UHFFFAOYSA-N 0 0 352.463 2.818 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CC[S@](=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000762232264 736805354 /nfs/dbraw/zinc/80/53/54/736805354.db2.gz HJDYCOFQTCNSAU-PSLXWICFSA-N 0 0 350.871 2.998 20 10 FFCDRN COC(=O)/C=C/c1ccc(N(C)[C@@H](C)C(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000762959501 736887842 /nfs/dbraw/zinc/88/78/42/736887842.db2.gz VXMCTGMHIWKKPL-CRALRDPISA-N 0 0 350.371 2.557 20 10 FFCDRN O=C(NCCc1nccs1)NCc1cccc(Br)c1O ZINC000764768209 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737153630 /nfs/dbraw/zinc/15/36/30/737153630.db2.gz BABZDCMEOQOUIS-UHFFFAOYSA-N 0 0 350.168 2.813 20 10 FFCDRN O=C(COCc1ccccc1)NCc1cccc(Br)c1O ZINC000765751243 737153759 /nfs/dbraw/zinc/15/37/59/737153759.db2.gz BWMLZWZICMSKTE-UHFFFAOYSA-N 0 0 350.212 2.988 20 10 FFCDRN COc1ccc2c(c1)CCCN2Cn1nnn(C2CCOCC2)c1=S ZINC000766341774 737220913 /nfs/dbraw/zinc/22/09/13/737220913.db2.gz PTTJBAKHWKVCET-UHFFFAOYSA-N 0 0 361.471 2.579 20 10 FFCDRN CCN(Cc1nnnn1C(C)(C)C)Cc1cc(Br)ccc1O ZINC000766796496 737263983 /nfs/dbraw/zinc/26/39/83/737263983.db2.gz NCVBPWPLUCZBOE-UHFFFAOYSA-N 0 0 368.279 2.918 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+][C@@H](CO)c2ccc(Br)cc2)c1 ZINC000767427409 737324826 /nfs/dbraw/zinc/32/48/26/737324826.db2.gz ZTZOITGRLHMGAV-AWEZNQCLSA-N 0 0 367.199 2.886 20 10 FFCDRN CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)ccc21 ZINC000767472498 737329286 /nfs/dbraw/zinc/32/92/86/737329286.db2.gz HJCIIVFUVFHLLE-UHFFFAOYSA-N 0 0 368.798 2.774 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(O)c(F)c1 ZINC000768387849 737418514 /nfs/dbraw/zinc/41/85/14/737418514.db2.gz CLTMCERQMNSDFC-UHFFFAOYSA-N 0 0 367.760 2.706 20 10 FFCDRN CCS[C@@H](C)c1noc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)n1 ZINC000768463346 737424450 /nfs/dbraw/zinc/42/44/50/737424450.db2.gz RYYJYFLLKSOSFT-HZMBPMFUSA-N 0 0 365.455 2.647 20 10 FFCDRN O=S(=O)(NCCCSc1nccs1)c1cnn(C2CCC2)c1 ZINC000914106596 737507735 /nfs/dbraw/zinc/50/77/35/737507735.db2.gz KBQIYEBKJFUQEQ-UHFFFAOYSA-N 0 0 358.514 2.525 20 10 FFCDRN O=S(=O)(NCCCSc1nccs1)c1ccnn1CC1CCC1 ZINC000914106874 737507799 /nfs/dbraw/zinc/50/77/99/737507799.db2.gz RIEXWJXAMRRABD-UHFFFAOYSA-N 0 0 372.541 2.600 20 10 FFCDRN COc1cccc(CNS(=O)(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)c1O ZINC000914152406 737516468 /nfs/dbraw/zinc/51/64/68/737516468.db2.gz AUQTWOLMMIZVIO-GDBMZVCRSA-N 0 0 351.399 2.515 20 10 FFCDRN O=C(/C=C\c1ccc(I)o1)NCc1ccccc1O ZINC000769363165 737521528 /nfs/dbraw/zinc/52/15/28/737521528.db2.gz PHIMYNOWRFOTSJ-VURMDHGXSA-N 0 0 369.158 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Cc1ccc(C)c(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 ZINC000919879693 737881150 /nfs/dbraw/zinc/88/11/50/737881150.db2.gz YPGVOJOKPQQFQY-UHFFFAOYSA-N 0 0 358.463 2.791 20 10 FFCDRN C[C@H]1CCN1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000920044988 737888166 /nfs/dbraw/zinc/88/81/66/737888166.db2.gz YRNPXAVNMMTWSI-LBPRGKRZSA-N 0 0 357.376 2.846 20 10 FFCDRN CCN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@@H](C)CS(=O)(=O)CC ZINC000773622867 737924584 /nfs/dbraw/zinc/92/45/84/737924584.db2.gz IEZKAPUQSNSBBK-LSDHHAIUSA-N 0 0 369.531 2.668 20 10 FFCDRN C[C@H](NC=C1C(=O)N(C)C(=O)N(C)C1=O)c1cc(F)c(Cl)cc1Cl ZINC000920980225 737937898 /nfs/dbraw/zinc/93/78/98/737937898.db2.gz DNEVQHYQFDWUSL-ZETCQYMHSA-N 0 0 374.199 2.717 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2n[nH]c(=S)n2c1 ZINC000774432692 737989248 /nfs/dbraw/zinc/98/92/48/737989248.db2.gz LFDMBZCJZIZLGV-UHFFFAOYSA-N 0 0 354.435 2.532 20 10 FFCDRN C[C@@H]1c2sccc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000921514704 737995126 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ZINC000791681123 739591596 /nfs/dbraw/zinc/59/15/96/739591596.db2.gz FUKROSPQAVSMPJ-BKLZJWBFSA-N 0 0 371.505 2.654 20 10 FFCDRN COc1ccc(CNC(=O)NCCc2nc3c(s2)CCCC3)c(O)c1 ZINC000793030542 739732588 /nfs/dbraw/zinc/73/25/88/739732588.db2.gz WSEGGFHOTIYGCG-UHFFFAOYSA-N 0 0 361.467 2.778 20 10 FFCDRN O=C1NCCN(Cc2ccccc2O)[C@H]1c1ccc(Br)cc1 ZINC000793384906 739775794 /nfs/dbraw/zinc/77/57/94/739775794.db2.gz PPLKUNONSILHGW-INIZCTEOSA-N 0 0 361.239 2.828 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)Cc1ccsc1 ZINC000793789305 739814036 /nfs/dbraw/zinc/81/40/36/739814036.db2.gz JLNVPPMBBJDOKN-AWEZNQCLSA-N 0 0 360.479 2.940 20 10 FFCDRN COc1ccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c(O)c1 ZINC000794378467 739884759 /nfs/dbraw/zinc/88/47/59/739884759.db2.gz IFDGBSGHJDNIES-UHFFFAOYSA-N 0 0 350.758 2.821 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cnc1Br ZINC000935310418 739930245 /nfs/dbraw/zinc/93/02/45/739930245.db2.gz KWWPSPPNUDZWFD-SNVBAGLBSA-N 0 0 365.227 2.925 20 10 FFCDRN CCOc1ccc(S(=O)(=O)NCc2ccc(OC)cc2O)cc1C ZINC000795358674 740009645 /nfs/dbraw/zinc/00/96/45/740009645.db2.gz RTYIHEWYVIYDDT-UHFFFAOYSA-N 0 0 351.424 2.586 20 10 FFCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCN(CC(F)(F)F)C(=O)C2)c1 ZINC000795727007 740057121 /nfs/dbraw/zinc/05/71/21/740057121.db2.gz BWSQXQHWYYWCJE-UHFFFAOYSA-N 0 0 360.376 2.602 20 10 FFCDRN O=S(=O)(CCC(F)(F)F)NCc1cc(Br)ccc1O ZINC000796190601 740114238 /nfs/dbraw/zinc/11/42/38/740114238.db2.gz ACWQZTWZOZECJN-UHFFFAOYSA-N 0 0 362.167 2.527 20 10 FFCDRN CC[C@H](C)[C@H](NC(C)=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000796307298 740129822 /nfs/dbraw/zinc/12/98/22/740129822.db2.gz KADFZFAQEZUYBD-UGSOOPFHSA-N 0 0 351.466 2.839 20 10 FFCDRN CCOc1ccc(CNc2cc(S(=O)(=O)N(C)C)ccc2C)c(O)c1 ZINC000796362963 740136265 /nfs/dbraw/zinc/13/62/65/740136265.db2.gz NGIGXWCZUGEQAH-UHFFFAOYSA-N 0 0 364.467 2.962 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H]2CCC(F)(F)C2)cc1 ZINC000796369847 740136965 /nfs/dbraw/zinc/13/69/65/740136965.db2.gz SGWJZMMVOGAECH-CQSZACIVSA-N 0 0 354.397 2.690 20 10 FFCDRN CC[C@@H]([NH2+]CCS(=O)(=O)NCc1ccccc1)c1ccc(F)cc1[O-] ZINC000796704788 740173565 /nfs/dbraw/zinc/17/35/65/740173565.db2.gz AWGFOFAVTXRWLV-QGZVFWFLSA-N 0 0 366.458 2.692 20 10 FFCDRN C[C@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000797031334 740204907 /nfs/dbraw/zinc/20/49/07/740204907.db2.gz JSRWFZARQGWKIX-JTQLQIEISA-N 0 0 362.239 2.876 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)c(O)c1 ZINC000797389247 740241813 /nfs/dbraw/zinc/24/18/13/740241813.db2.gz WVKFWVOGQAWFSS-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN COC(=O)N[C@@H](C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800344192 740514551 /nfs/dbraw/zinc/51/45/51/740514551.db2.gz OGBFSSXKVPRITL-STQMWFEESA-N 0 0 367.877 2.937 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])C(=O)NCCF ZINC000800499329 740528922 /nfs/dbraw/zinc/52/89/22/740528922.db2.gz WRUUZVAGFBJHQZ-JGVFFNPUSA-N 0 0 367.646 2.933 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)c3cnn(C)c3N)cc2Cl)C1 ZINC000800570974 740534244 /nfs/dbraw/zinc/53/42/44/740534244.db2.gz CNGLOWZNEVXKKM-LBPRGKRZSA-N 0 0 361.877 2.822 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCN(C)C3=O)cc2Cl)C1 ZINC000800571930 740534681 /nfs/dbraw/zinc/53/46/81/740534681.db2.gz QLQMQOHCIULJEH-HIFRSBDPSA-N 0 0 363.889 2.671 20 10 FFCDRN COCCn1cc(CNC(=O)c2sccc2-n2c(C)ccc2C)cn1 ZINC000800577635 740535488 /nfs/dbraw/zinc/53/54/88/740535488.db2.gz VVQOHZPOUXOZDT-UHFFFAOYSA-N 0 0 358.467 2.929 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCCCS1(=O)=O ZINC000802287042 740692836 /nfs/dbraw/zinc/69/28/36/740692836.db2.gz DLIROGCOXCYUDN-INIZCTEOSA-N 0 0 368.499 2.671 20 10 FFCDRN C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000802660113 740716237 /nfs/dbraw/zinc/71/62/37/740716237.db2.gz BOIXMPDDXUTULO-ZDUSSCGKSA-N 0 0 368.886 2.892 20 10 FFCDRN COC[C@@H]1NC(=O)N(Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1=O ZINC000804188647 740852967 /nfs/dbraw/zinc/85/29/67/740852967.db2.gz PKNQCRVLPYKFLC-DOMZBBRYSA-N 0 0 365.861 2.643 20 10 FFCDRN CN(CC(=O)NCc1cc(Br)ccc1O)C(=O)OC(C)(C)C ZINC000804735020 740900775 /nfs/dbraw/zinc/90/07/75/740900775.db2.gz HYTDYDPLHLULQY-UHFFFAOYSA-N 0 0 373.247 2.638 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cnc(Cl)c(F)c2)c1 ZINC000805010923 740925478 /nfs/dbraw/zinc/92/54/78/740925478.db2.gz FDPJKZBXWTZINJ-MRVPVSSYSA-N 0 0 360.794 2.628 20 10 FFCDRN CCOC(=O)COCCOC(=O)c1sccc1-n1c(C)ccc1C ZINC000805420743 740969208 /nfs/dbraw/zinc/96/92/08/740969208.db2.gz LUDJHHRGAUIUMG-UHFFFAOYSA-N 0 0 351.424 2.892 20 10 FFCDRN C[C@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)CC1(C)C ZINC000806280328 741049878 /nfs/dbraw/zinc/04/98/78/741049878.db2.gz NBYOTYQKSZSNGD-LBPRGKRZSA-N 0 0 355.529 2.636 20 10 FFCDRN C[C@@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)CC1(C)C ZINC000806280327 741049930 /nfs/dbraw/zinc/04/99/30/741049930.db2.gz NBYOTYQKSZSNGD-GFCCVEGCSA-N 0 0 355.529 2.636 20 10 FFCDRN C[C@@H]1CCC[C@@H](C)N(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806281665 741050190 /nfs/dbraw/zinc/05/01/90/741050190.db2.gz GDCGBXJATMGHFO-CHWSQXEVSA-N 0 0 355.529 2.779 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C(F)(F)F)OC[C@@H]1C ZINC000806821189 741086622 /nfs/dbraw/zinc/08/66/22/741086622.db2.gz RBWVGWZCPNJKDV-SWLSCSKDSA-N 0 0 359.392 2.922 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1nc(C2CC2)cs1 ZINC000806900170 741094064 /nfs/dbraw/zinc/09/40/64/741094064.db2.gz KCIUKZYFYHAYSS-UHFFFAOYSA-N 0 0 358.467 2.650 20 10 FFCDRN CCC(CC)(CNC(=O)C(=O)NCc1ccc(N(C)C)cc1C)SC ZINC000807101639 741110386 /nfs/dbraw/zinc/11/03/86/741110386.db2.gz ZRPBEOYLFJFXHV-UHFFFAOYSA-N 0 0 365.543 2.715 20 10 FFCDRN CCSCC[C@@H](C)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807102158 741110756 /nfs/dbraw/zinc/11/07/56/741110756.db2.gz DKZXJHIISSKEHJ-OAHLLOKOSA-N 0 0 365.543 2.667 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@H]3CCCSC3)CC2)cc1F ZINC000807595288 741143957 /nfs/dbraw/zinc/14/39/57/741143957.db2.gz BGPLXUJEKNAMAI-CQSZACIVSA-N 0 0 367.490 2.809 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCCC1(F)F ZINC000807596439 741144324 /nfs/dbraw/zinc/14/43/24/741144324.db2.gz MDJCLXCVNRUKQG-MRXNPFEDSA-N 0 0 353.413 2.852 20 10 FFCDRN CC[C@@H](CSC)N(C)C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807674572 741147941 /nfs/dbraw/zinc/14/79/41/741147941.db2.gz NGVNCYUINNLMAH-HIFRSBDPSA-N 0 0 351.516 2.530 20 10 FFCDRN CC(C)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCS1 ZINC000807670020 741148086 /nfs/dbraw/zinc/14/80/86/741148086.db2.gz AACHMGSVUSIRDU-YOEHRIQHSA-N 0 0 363.527 2.530 20 10 FFCDRN CC(=O)C(=O)COC(=O)CCOc1ccc(Cl)cc1Br ZINC000808508379 741230969 /nfs/dbraw/zinc/23/09/69/741230969.db2.gz DCVHYYSNQSCXTP-UHFFFAOYSA-N 0 0 363.591 2.573 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccc(-c2ccc(Br)cc2)n1C ZINC000808511758 741231440 /nfs/dbraw/zinc/23/14/40/741231440.db2.gz JTCOLGOCRILASK-UHFFFAOYSA-N 0 0 364.195 2.770 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccc(Sc2ccccc2Cl)nn1 ZINC000808528372 741232542 /nfs/dbraw/zinc/23/25/42/741232542.db2.gz YWNAMQGJLOBIIO-UHFFFAOYSA-N 0 0 350.783 2.596 20 10 FFCDRN [NH3+]CCN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1[N+](=O)[O-] ZINC000809728294 741337579 /nfs/dbraw/zinc/33/75/79/741337579.db2.gz RITSGEHSBUPMEI-UHFFFAOYSA-N 0 0 366.761 2.827 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)CC2Cc3ccccc3C2)cc1F ZINC000809812741 741346597 /nfs/dbraw/zinc/34/65/97/741346597.db2.gz WBEXOMDBMFFVNS-UHFFFAOYSA-N 0 0 362.470 2.726 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCc2nnc(C)s2)cc1F ZINC000811877207 741569702 /nfs/dbraw/zinc/56/97/02/741569702.db2.gz HWBZORCPUKDXSF-UHFFFAOYSA-N 0 0 365.478 2.874 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@@H]1CCCN1CC(F)(F)F ZINC000812508438 741627189 /nfs/dbraw/zinc/62/71/89/741627189.db2.gz AHILKSSKPFRIHK-JTQLQIEISA-N 0 0 353.435 2.768 20 10 FFCDRN Cn1nc2c(c1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CCCC2 ZINC000812773814 741650629 /nfs/dbraw/zinc/65/06/29/741650629.db2.gz UEUWGNASLJVCAY-UHFFFAOYSA-N 0 0 350.806 2.856 20 10 FFCDRN COC(=O)c1nsc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000813368532 741706328 /nfs/dbraw/zinc/70/63/28/741706328.db2.gz LRBHADZWUCTWAA-UHFFFAOYSA-N 0 0 356.407 2.985 20 10 FFCDRN COCC1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CCOCC1 ZINC000813781237 741763407 /nfs/dbraw/zinc/76/34/07/741763407.db2.gz MMNSIHAYYZLAHB-UHFFFAOYSA-N 0 0 358.276 2.996 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1nc(CC(F)(F)F)cs1 ZINC000815398765 741931300 /nfs/dbraw/zinc/93/13/00/741931300.db2.gz VFWAYWHDJOTFGI-UHFFFAOYSA-N 0 0 373.356 2.551 20 10 FFCDRN Cn1cc(Br)c(C(=O)NCCCSc2nccs2)n1 ZINC000815590653 741946955 /nfs/dbraw/zinc/94/69/55/741946955.db2.gz DKSBKEZHRPXXKN-UHFFFAOYSA-N 0 0 361.290 2.551 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2sc([C@H]3CCCOC3)nc2C)c1 ZINC000815835413 741964514 /nfs/dbraw/zinc/96/45/14/741964514.db2.gz SGAIGDGJXKOZOW-LBPRGKRZSA-N 0 0 362.451 2.990 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cncc(O)c1 ZINC000816940837 742075064 /nfs/dbraw/zinc/07/50/64/742075064.db2.gz NSVOMFWXNSCZOV-UHFFFAOYSA-N 0 0 365.227 2.847 20 10 FFCDRN Cc1c(Cl)c(CNCc2ccc(N3CCC(CO)CC3)cc2)nn1C ZINC000817407388 742138421 /nfs/dbraw/zinc/13/84/21/742138421.db2.gz MKRJESQEEWENMW-UHFFFAOYSA-N 0 0 362.905 2.880 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1cccc(C(F)(F)F)n1 ZINC000817452304 742147337 /nfs/dbraw/zinc/14/73/37/742147337.db2.gz NCYBAFMNLHXRBV-ALCCZGGFSA-N 0 0 352.312 2.884 20 10 FFCDRN CC(=O)N/C(=C\c1cccs1)C(=O)NCCCSc1nccs1 ZINC000817532765 742161843 /nfs/dbraw/zinc/16/18/43/742161843.db2.gz IWJNPOXGCGDIFF-RAXLEYEMSA-N 0 0 367.521 2.980 20 10 FFCDRN COC(=O)c1ccc(CNC(=O)N[C@H](C)c2cc(OC)ccc2O)s1 ZINC000817804760 742215006 /nfs/dbraw/zinc/21/50/06/742215006.db2.gz ULVWZPFVXJYMDG-SNVBAGLBSA-N 0 0 364.423 2.809 20 10 FFCDRN CC[C@H](NC(=O)C(=O)NCCCSc1nccs1)[C@@H]1CC1(C)C ZINC000817823531 742216436 /nfs/dbraw/zinc/21/64/36/742216436.db2.gz MJFGABNIIZUWCM-RYUDHWBXSA-N 0 0 355.529 2.682 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CS[C@H](C)C2)cc1 ZINC000817856792 742217597 /nfs/dbraw/zinc/21/75/97/742217597.db2.gz OCALMCCBUZICPX-GDBMZVCRSA-N 0 0 363.527 2.501 20 10 FFCDRN COCCNCC[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000817965521 742225030 /nfs/dbraw/zinc/22/50/30/742225030.db2.gz WNDJSRKXEFQQLX-VIFPVBQESA-N 0 0 351.672 2.695 20 10 FFCDRN C[C@@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Br)c(F)cc1[O-] ZINC000818351598 742266071 /nfs/dbraw/zinc/26/60/71/742266071.db2.gz VCILQDBDJDBNLR-SECBINFHSA-N 0 0 368.268 2.769 20 10 FFCDRN O=[N+]([O-])c1cccc(OC[C@H](O)CNc2ccccc2OCCF)c1 ZINC000819489080 742397152 /nfs/dbraw/zinc/39/71/52/742397152.db2.gz QZLVQLGGYYLOIM-CQSZACIVSA-N 0 0 350.346 2.795 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1scnc1Cl ZINC000819692580 742424270 /nfs/dbraw/zinc/42/42/70/742424270.db2.gz AZCUIOKDLOCUSC-UHFFFAOYSA-N 0 0 354.815 2.708 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCc2cccnc21 ZINC000819841461 742436386 /nfs/dbraw/zinc/43/63/86/742436386.db2.gz ZRCBKNVBUSEAKA-GOSISDBHSA-N 0 0 353.491 2.981 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000821414032 742623441 /nfs/dbraw/zinc/62/34/41/742623441.db2.gz WEQABLZEUOBJMG-UPJWGTAASA-N 0 0 350.469 2.958 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@H](n3ccnn3)C2)c1 ZINC000822504547 742745600 /nfs/dbraw/zinc/74/56/00/742745600.db2.gz UYGTYUGWPOYCJT-ZDUSSCGKSA-N 0 0 351.248 2.892 20 10 FFCDRN CCOC(=O)CN(Cc1csc([N+](=O)[O-])c1)Cc1ccccc1O ZINC000822511904 742747015 /nfs/dbraw/zinc/74/70/15/742747015.db2.gz NYOXTRBNMFCKJM-UHFFFAOYSA-N 0 0 350.396 2.927 20 10 FFCDRN O=C(NCC1SCCS1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000823411617 742904265 /nfs/dbraw/zinc/90/42/65/742904265.db2.gz TWEKMRXZVLGPPP-AWEZNQCLSA-N 0 0 368.524 2.889 20 10 FFCDRN CC1(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC(F)(F)C1 ZINC000823510393 742929471 /nfs/dbraw/zinc/92/94/71/742929471.db2.gz WPXKPEYXPGXDQG-UHFFFAOYSA-N 0 0 360.351 2.853 20 10 FFCDRN COCCN1CN(Cc2ccc(N(C)Cc3cccs3)cc2)CC1=O ZINC000824345122 743059905 /nfs/dbraw/zinc/05/99/05/743059905.db2.gz WVOSETDOCCJLJW-UHFFFAOYSA-N 0 0 359.495 2.633 20 10 FFCDRN CCOC(=O)N[C@@H]1CCCN(Cc2ccc(Br)cc2O)C1 ZINC000824561501 743104958 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353.365 2.719 20 10 FFCDRN O=C(NCCc1nccs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000051757242 845232513 /nfs/dbraw/zinc/23/25/13/845232513.db2.gz IMTLKXLXSDRUJJ-HNNXBMFYSA-N 0 0 361.467 2.782 20 10 FFCDRN COc1ccc(N2CCN(Cn3nc(CSC)oc3=S)CC2)cc1 ZINC000054357518 845299820 /nfs/dbraw/zinc/29/98/20/845299820.db2.gz BIKTWBFEPKNRDF-UHFFFAOYSA-N 0 0 366.512 2.857 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000055639059 845334439 /nfs/dbraw/zinc/33/44/39/845334439.db2.gz YJZXVYJROSMBKY-UHFFFAOYSA-N 0 0 372.443 2.697 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)c3cccc(C)c3)CC2)cc1 ZINC000055669613 845337788 /nfs/dbraw/zinc/33/77/88/845337788.db2.gz MKMDXXGGQSDURM-UHFFFAOYSA-N 0 0 360.479 2.905 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2Cl)cc1F ZINC000057732500 845379221 /nfs/dbraw/zinc/37/92/21/845379221.db2.gz NORHEWMIOAGGSK-UHFFFAOYSA-N 0 0 367.783 2.939 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2F)cc1F ZINC000057732331 845379452 /nfs/dbraw/zinc/37/94/52/845379452.db2.gz QNQALMYKXYVZNG-UHFFFAOYSA-N 0 0 367.783 2.939 20 10 FFCDRN Cc1c(Cl)cc(S(=O)(=O)NCc2ccccc2O)cc1[N+](=O)[O-] ZINC000391393854 845846730 /nfs/dbraw/zinc/84/67/30/845846730.db2.gz UPKULFYRKCZDNQ-UHFFFAOYSA-N 0 0 356.787 2.741 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C\c3scnc3C)CC2)cc1F ZINC000588520727 845974186 /nfs/dbraw/zinc/97/41/86/845974186.db2.gz ZMDNLWHPTPVYJW-WAYWQWQTSA-N 0 0 361.442 2.961 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(N2CCCC2=O)cn1 ZINC000871724432 1013046383 /nfs/dbraw/zinc/04/63/83/1013046383.db2.gz VNYBHWWNTZUSRV-UHFFFAOYSA-N 0 0 367.453 2.905 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC000159082226 970792869 /nfs/dbraw/zinc/79/28/69/970792869.db2.gz JNOKGWCQSGHVPG-UHFFFAOYSA-N 0 0 374.400 2.821 20 10 FFCDRN CC1(C)CO[C@H](CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000895786856 970950065 /nfs/dbraw/zinc/95/00/65/970950065.db2.gz DXBLBAVRWKAPLV-MRXNPFEDSA-N 0 0 364.461 2.608 20 10 FFCDRN Cc1ccc(C)n1-c1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1C ZINC000183433750 971121970 /nfs/dbraw/zinc/12/19/70/971121970.db2.gz GZVSTXUSCGAVBZ-LBPRGKRZSA-N 0 0 368.437 2.600 20 10 FFCDRN CCOCCN1CC[C@]2(CCC[N@@H+]2Cc2c(O)cccc2Cl)C1=O ZINC001275837177 1013064511 /nfs/dbraw/zinc/06/45/11/1013064511.db2.gz LZRACWRLYPFSKO-GOSISDBHSA-N 0 0 352.862 2.649 20 10 FFCDRN CS(=O)(=O)N(c1ccc(N)cc1)c1ccc(C(=O)N2CCCC2)cc1 ZINC001174068894 1013067456 /nfs/dbraw/zinc/06/74/56/1013067456.db2.gz AHDBBGPCTNYANR-UHFFFAOYSA-N 0 0 359.451 2.603 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3C[C@@H](C)O[C@H]3C)CC2)cc1 ZINC000840436621 971299382 /nfs/dbraw/zinc/29/93/82/971299382.db2.gz PYZFXRIMZPDLLJ-IKGGRYGDSA-N 0 0 361.486 2.730 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC(C(=O)NCC(C)C)CC2)cc1OC ZINC000896314325 971417465 /nfs/dbraw/zinc/41/74/65/971417465.db2.gz HRBCVVFZUVHFHO-UHFFFAOYSA-N 0 0 365.430 2.601 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CNC(=O)CC2CCCC2)cc1F ZINC000066841337 971531742 /nfs/dbraw/zinc/53/17/42/971531742.db2.gz LYURBEMRXSQSPN-UHFFFAOYSA-N 0 0 363.477 2.985 20 10 FFCDRN CC(C)CCO[C@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000123405058 971714003 /nfs/dbraw/zinc/71/40/03/971714003.db2.gz KWCXRKYZGROSEY-QGZVFWFLSA-N 0 0 362.514 2.963 20 10 FFCDRN CC(=O)[C@@H]1C[C@H](C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)C1(C)C ZINC000123717071 971747630 /nfs/dbraw/zinc/74/76/30/971747630.db2.gz YLMFGOGYOMDIDK-RBUKOAKNSA-N 0 0 358.482 2.733 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194364730 971864057 /nfs/dbraw/zinc/86/40/57/971864057.db2.gz ZWLWQAARSXSKLC-UHFFFAOYSA-N 0 0 373.796 2.615 20 10 FFCDRN COC(=O)C1CC2(C1)C[N@H+](Cc1cc(C(C)C)ccc1O)C[C@@H]2C(=O)[O-] ZINC001593823330 955059851 /nfs/dbraw/zinc/05/98/51/955059851.db2.gz CECJFVNGVZDKSZ-LFDOHDQPSA-N 0 0 361.438 2.601 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2ccn(Cc3ccncc3)n2)cc1 ZINC000195427720 972360807 /nfs/dbraw/zinc/36/08/07/972360807.db2.gz PEOSIWPBGSLEPL-UHFFFAOYSA-N 0 0 350.426 2.714 20 10 FFCDRN COc1ccc(CN(CCCO)C(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000890644659 959864387 /nfs/dbraw/zinc/86/43/87/959864387.db2.gz WOHAZRBCQYQVKV-POHAHGRESA-N 0 0 357.406 2.531 20 10 FFCDRN Cc1cc(C(=O)NCC(=O)N2CCCO2)c(C)n1-c1cc(C)cc(C)c1 ZINC001143376838 959980537 /nfs/dbraw/zinc/98/05/37/959980537.db2.gz LXEICGLYJFTIJR-UHFFFAOYSA-N 0 0 355.438 2.605 20 10 FFCDRN COc1cccc(N2CC[C@@H](NC(=O)NCc3ccc(N(C)C)cc3)C2)c1 ZINC000728220640 960049074 /nfs/dbraw/zinc/04/90/74/960049074.db2.gz NHBRXKGDJZRNPI-QGZVFWFLSA-N 0 0 368.481 2.839 20 10 FFCDRN CC[C@@H]1[C@@H](NC(=O)Cc2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC001167232204 960442653 /nfs/dbraw/zinc/44/26/53/960442653.db2.gz VLBGXPFHTYSBNO-UONOGXRCSA-N 0 0 364.442 2.545 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCc2ccc3c(c2)OCCO3)c1 ZINC000728940822 960752095 /nfs/dbraw/zinc/75/20/95/960752095.db2.gz IBPFIYOBHLXHEG-ZDUSSCGKSA-N 0 0 372.421 2.775 20 10 FFCDRN CCCCN1C(=O)C[C@]2(CCC[N@H+](Cc3c(F)ccc(F)c3[O-])C2)C1=O ZINC001275957958 1013230370 /nfs/dbraw/zinc/23/03/70/1013230370.db2.gz ZOOLNHXNGQMYGW-IBGZPJMESA-N 0 0 366.408 2.812 20 10 FFCDRN Cn1ncc2c1nc(Cl)nc2NCc1ccc(N2CCC(O)CC2)cc1 ZINC000872603317 1013235004 /nfs/dbraw/zinc/23/50/04/1013235004.db2.gz UAVFZJZKLQMLFS-UHFFFAOYSA-N 0 0 372.860 2.590 20 10 FFCDRN CC[C@@H](C)N(CC)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000891084236 961902291 /nfs/dbraw/zinc/90/22/91/961902291.db2.gz KSXGYZZLGWLAIF-OAHLLOKOSA-N 0 0 360.502 2.718 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([S@@](C)=O)cc1 ZINC000009975404 1013313943 /nfs/dbraw/zinc/31/39/43/1013313943.db2.gz MMDFPPBTNZWCLL-SANMLTNESA-N 0 0 372.490 2.533 20 10 FFCDRN CNC(=O)CN(Cc1ccccc1)C(=O)c1cc2cc(O)c(O)cc2s1 ZINC001174810854 1013320265 /nfs/dbraw/zinc/32/02/65/1013320265.db2.gz IGGQXAJIVQIMGM-UHFFFAOYSA-N 0 0 370.430 2.701 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NOCc1ccccc1 ZINC000050096841 962487255 /nfs/dbraw/zinc/48/72/55/962487255.db2.gz RJVSWRQEDKILJW-UHFFFAOYSA-N 0 0 373.428 2.718 20 10 FFCDRN CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)c1C ZINC000891257496 962619205 /nfs/dbraw/zinc/61/92/05/962619205.db2.gz HOETVUOUKJMCTJ-SFHVURJKSA-N 0 0 370.497 2.933 20 10 FFCDRN CCOc1cc(F)cc(N(C)S(=O)(=O)CCc2ccc(N)cc2)c1 ZINC001175005434 1013360205 /nfs/dbraw/zinc/36/02/05/1013360205.db2.gz LZADJKPSZFTHCS-UHFFFAOYSA-N 0 0 352.431 2.815 20 10 FFCDRN CCOc1ccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)cc1F ZINC001175068378 1013371542 /nfs/dbraw/zinc/37/15/42/1013371542.db2.gz CVMNPRWXWFCUKV-UHFFFAOYSA-N 0 0 352.431 2.815 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000175944906 962763878 /nfs/dbraw/zinc/76/38/78/962763878.db2.gz NZJUHOICDZDRAB-ZDUSSCGKSA-N 0 0 367.409 2.923 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)[C@]12CCCO2 ZINC000773447676 1013377141 /nfs/dbraw/zinc/37/71/41/1013377141.db2.gz RFRDGHZUPGTCFO-GVZBARQTSA-N 0 0 361.486 2.839 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1nnc(-c2ccccc2)o1 ZINC000588404667 963586778 /nfs/dbraw/zinc/58/67/78/963586778.db2.gz ANHYZEPDGJTOLH-CLFYSBASSA-N 0 0 351.362 2.520 20 10 FFCDRN Cc1ccccc1CN1CCN(C(=O)/C=C\c2ccc(O)c(O)c2)CC1 ZINC000588406100 963619858 /nfs/dbraw/zinc/61/98/58/963619858.db2.gz VDQSGQDTIKASLI-CLFYSBASSA-N 0 0 352.434 2.764 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@@H](C)c3nccnc3C)CC2)cc1 ZINC000873240175 1013439825 /nfs/dbraw/zinc/43/98/25/1013439825.db2.gz KZXVYNDCOZFIKK-INIZCTEOSA-N 0 0 369.469 2.777 20 10 FFCDRN CC[C@@H](C)N1CC2(CN(Cc3c(C)n(C)c4ccccc34)C2)OCC1=O ZINC001276095996 1013461104 /nfs/dbraw/zinc/46/11/04/1013461104.db2.gz NKIDPUIRGSARBW-OAHLLOKOSA-N 0 0 355.482 2.698 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)Cn1nc2ccccn2c1=S ZINC000016878698 964112790 /nfs/dbraw/zinc/11/27/90/964112790.db2.gz DIERJARROMDPOD-UHFFFAOYSA-N 0 0 369.494 2.791 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000098093660 1013478086 /nfs/dbraw/zinc/47/80/86/1013478086.db2.gz RPOVBSYRFJZEBM-UHFFFAOYSA-N 0 0 368.433 2.554 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000078132662 964245991 /nfs/dbraw/zinc/24/59/91/964245991.db2.gz GKGPYIQOFDNXJB-UHFFFAOYSA-N 0 0 353.466 2.948 20 10 FFCDRN Oc1ccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000157900821 964276267 /nfs/dbraw/zinc/27/62/67/964276267.db2.gz FFIQAMIXRFEHGV-UHFFFAOYSA-N 0 0 353.466 2.551 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000891524050 964426629 /nfs/dbraw/zinc/42/66/29/964426629.db2.gz GSYSQSSJALXDHE-MOPGFXCFSA-N 0 0 364.461 2.589 20 10 FFCDRN O=C(COc1ccc(N2CCCC2)cc1)NCCOc1cccc(F)c1 ZINC000178196839 964614668 /nfs/dbraw/zinc/61/46/68/964614668.db2.gz MIVZBKHKVYGFBV-UHFFFAOYSA-N 0 0 358.413 3.000 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cccn3c(=O)[nH]nc23)cc1 ZINC000780858736 965085106 /nfs/dbraw/zinc/08/51/06/965085106.db2.gz QJBOVNHTWJJTQB-UHFFFAOYSA-N 0 0 353.426 2.553 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@@H](O)CC[C@H]2C)CCCC1 ZINC001175788956 1013559360 /nfs/dbraw/zinc/55/93/60/1013559360.db2.gz UGPJFXOSYMNRSL-CABCVRRESA-N 0 0 356.466 2.901 20 10 FFCDRN O=C(c1ccc2c(n1)CCCN2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000894515970 965438554 /nfs/dbraw/zinc/43/85/54/965438554.db2.gz WMWIDVCYGXPMAH-INIZCTEOSA-N 0 0 367.449 2.967 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccccc1 ZINC000894595723 965509314 /nfs/dbraw/zinc/50/93/14/965509314.db2.gz PVLBSXQQCKEVTL-INIZCTEOSA-N 0 0 365.477 2.808 20 10 FFCDRN COc1ccc(CNc2ccc(C3CC(=O)NC(=O)C3)cc2)c(O)c1OC ZINC000894664245 965562863 /nfs/dbraw/zinc/56/28/63/965562863.db2.gz RQKBAWSHYNOBJN-UHFFFAOYSA-N 0 0 370.405 2.542 20 10 FFCDRN CC[C@H](C)N(C)C(=O)NCCC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000120809948 965579671 /nfs/dbraw/zinc/57/96/71/965579671.db2.gz XIKKLDFJGQRAEI-KRWDZBQOSA-N 0 0 362.518 2.647 20 10 FFCDRN COC(=O)C[C@@H]1CC[C@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000892005509 965789392 /nfs/dbraw/zinc/78/93/92/965789392.db2.gz WIIHOUAUDCRGMG-SJORKVTESA-N 0 0 359.470 2.818 20 10 FFCDRN CC[C@@H](CO)Nc1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)ncn1 ZINC000892024819 965830088 /nfs/dbraw/zinc/83/00/88/965830088.db2.gz GPWGNCTYJSTXKO-WBVHZDCISA-N 0 0 371.485 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O=C(Nc1cc2c(cc1Br)OCCO2)c1cccc(O)c1O ZINC001540479923 1070902902 /nfs/dbraw/zinc/90/29/02/1070902902.db2.gz FZLOXZKRBXVGGR-UHFFFAOYSA-N 0 0 366.167 2.884 20 10 FFCDRN Cc1cc(CNC(=O)NCc2nnc(C)n2C)c(C)n1-c1cccc(C)c1 ZINC001331297710 1047848275 /nfs/dbraw/zinc/84/82/75/1047848275.db2.gz PWIAEPOQACMEIM-UHFFFAOYSA-N 0 0 366.469 2.839 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC001327369699 1047869128 /nfs/dbraw/zinc/86/91/28/1047869128.db2.gz UNXSLGLIHKNPFP-JKSUJKDBSA-N 0 0 358.825 2.676 20 10 FFCDRN C[C@@H](c1ccccc1)[C@@H](O)CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001327662841 1047987361 /nfs/dbraw/zinc/98/73/61/1047987361.db2.gz QOLLBJBZXIUXGC-LIRRHRJNSA-N 0 0 359.445 2.856 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NC3(C4CC4)CCOCC3)C2)cc1 ZINC001327760144 1048031044 /nfs/dbraw/zinc/03/10/44/1048031044.db2.gz GWVDVSCCZDXKGI-MRXNPFEDSA-N 0 0 359.470 2.532 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cncc(C(C)=O)c3)C2)cc1 ZINC001331738487 1048091201 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/nfs/dbraw/zinc/55/20/98/1048552098.db2.gz UWPDQSNHUHWOMD-UHFFFAOYSA-N 0 0 370.449 2.784 20 10 FFCDRN CNC(=O)Cc1ccccc1NCc1ccc(N2CCC(O)CC2)cc1 ZINC001332974521 1048651752 /nfs/dbraw/zinc/65/17/52/1048651752.db2.gz CLPKHOIJKIFSCJ-UHFFFAOYSA-N 0 0 353.466 2.548 20 10 FFCDRN COc1cc(N2CCN(C(=O)[C@@H]3C[C@@H]3[C@H]3C[C@H]3C)CC2)cc(OC)c1OC ZINC001329788278 1048911578 /nfs/dbraw/zinc/91/15/78/1048911578.db2.gz UGSODGDMVOOYHM-XLNGHYISSA-N 0 0 374.481 2.653 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001329895651 1048956296 /nfs/dbraw/zinc/95/62/96/1048956296.db2.gz RXRHXGIEGZSGPK-BTTYYORXSA-N 0 0 369.387 2.505 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC1CC2(CC2(F)F)C1 ZINC001329910321 1048963136 /nfs/dbraw/zinc/96/31/36/1048963136.db2.gz BWTFNCNHICEHDH-UHFFFAOYSA-N 0 0 365.424 2.852 20 10 FFCDRN CC[C@H](CO)NC(=O)c1ccc(NCc2cc(C)cc(OC)c2O)cc1 ZINC001333715993 1049075479 /nfs/dbraw/zinc/07/54/79/1049075479.db2.gz XKJJGEGWGSNKOB-MRXNPFEDSA-N 0 0 358.438 2.822 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ncccc3N(C)C)CC2)cc1 ZINC001334005518 1049200127 /nfs/dbraw/zinc/20/01/27/1049200127.db2.gz MHPBZIOALWTKFR-UHFFFAOYSA-N 0 0 354.454 2.509 20 10 FFCDRN COc1ccc(N2CCN(c3ccc(OC(F)F)nn3)CC2)cc1F ZINC001334169353 1049289071 /nfs/dbraw/zinc/28/90/71/1049289071.db2.gz VWEKPPZEWYLYRE-UHFFFAOYSA-N 0 0 354.332 2.552 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3cc(C4CC4)nn3C)C2)cc1 ZINC001330787737 1049328230 /nfs/dbraw/zinc/32/82/30/1049328230.db2.gz ULNVVJYZVYZQGC-CQSZACIVSA-N 0 0 355.442 2.707 20 10 FFCDRN NC(=O)C1CCN(c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)CC1 ZINC000739766088 1049334822 /nfs/dbraw/zinc/33/48/22/1049334822.db2.gz NBPQFTVZPVTDTF-UHFFFAOYSA-N 0 0 368.393 2.549 20 10 FFCDRN COc1ccc(NCc2cc(F)c(N(C)C)cc2F)cc1-n1nnnc1C ZINC001331270432 1049542114 /nfs/dbraw/zinc/54/21/14/1049542114.db2.gz GWDRMVAXRZEQHR-UHFFFAOYSA-N 0 0 374.395 2.936 20 10 FFCDRN CN(CC(=O)NCc1c(O)ccc2c1CCCC2)c1ccccc1[N+](=O)[O-] ZINC000743716996 1050112655 /nfs/dbraw/zinc/11/26/55/1050112655.db2.gz FVZVEGKRMJQVPX-UHFFFAOYSA-N 0 0 369.421 2.932 20 10 FFCDRN CN(C)C(=O)COc1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001541626427 1071128941 /nfs/dbraw/zinc/12/89/41/1071128941.db2.gz HNKHGGOTCSLLGG-UHFFFAOYSA-N 0 0 369.381 2.568 20 10 FFCDRN CO[C@@H]1CN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC[C@H]1C ZINC001340095651 1050499358 /nfs/dbraw/zinc/49/93/58/1050499358.db2.gz NDUIPDRVXPUECE-ZYHUDNBSSA-N 0 0 359.455 2.659 20 10 FFCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CCO[C@](C)(C2CC2)C1 ZINC001340096294 1050501245 /nfs/dbraw/zinc/50/12/45/1050501245.db2.gz YXTKQVCERNKXJX-SFHVURJKSA-N 0 0 371.466 2.803 20 10 FFCDRN C[C@H](NC(=O)NCCC(=O)N1CCC[C@@H](C)C1)c1ccc(N(C)C)cc1 ZINC001340557538 1050943906 /nfs/dbraw/zinc/94/39/06/1050943906.db2.gz CMYJERCDCDFLRD-CVEARBPZSA-N 0 0 360.502 2.761 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2cccc(O)c2O)CC1 ZINC001302164144 1051051973 /nfs/dbraw/zinc/05/19/73/1051051973.db2.gz IRUWYGPSJCKPAZ-JOCQHMNTSA-N 0 0 364.442 2.911 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1c1ccncc1 ZINC001340758479 1051112635 /nfs/dbraw/zinc/11/26/35/1051112635.db2.gz FYQFFRLOESXRFT-JKSUJKDBSA-N 0 0 373.403 2.616 20 10 FFCDRN Cc1nn(C)c2nc(C)c(CCC(=O)NCc3cc(O)ccc3O)c(C)c12 ZINC001303223590 1051307772 /nfs/dbraw/zinc/30/77/72/1051307772.db2.gz WGMZOAIANJVFPT-UHFFFAOYSA-N 0 0 368.437 2.554 20 10 FFCDRN CC(C)=CC(=O)NCc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001303225522 1051307980 /nfs/dbraw/zinc/30/79/80/1051307980.db2.gz KHWKTGAJYMAAPF-UHFFFAOYSA-N 0 0 354.406 2.610 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc2c(c1)CCCN2C)N1CSCCSC1 ZINC001542389557 1071225215 /nfs/dbraw/zinc/22/52/15/1071225215.db2.gz GALOONIVVNLOSY-AWEZNQCLSA-N 0 0 365.568 2.771 20 10 FFCDRN COc1ccc(CN2CC[C@H]2C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC001542430091 1071232639 /nfs/dbraw/zinc/23/26/39/1071232639.db2.gz FRQYURXENXHOEI-FQEVSTJZSA-N 0 0 371.456 2.791 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1c[nH]c2ncc(Br)cc12 ZINC001304053352 1051515499 /nfs/dbraw/zinc/51/54/99/1051515499.db2.gz IVAJLAHSHNWCOT-UHFFFAOYSA-N 0 0 362.183 2.667 20 10 FFCDRN O=C(NC1CCSCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001341212785 1051573229 /nfs/dbraw/zinc/57/32/29/1051573229.db2.gz XBDAXIMFYYENAC-UHFFFAOYSA-N 0 0 374.462 2.526 20 10 FFCDRN C[C@@](O)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1 ZINC001341234462 1051595497 /nfs/dbraw/zinc/59/54/97/1051595497.db2.gz FIVAVLFQAKTSNM-FQEVSTJZSA-N 0 0 374.481 2.903 20 10 FFCDRN Cc1ncc(Br)c(C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC001343128885 1051748442 /nfs/dbraw/zinc/74/84/42/1051748442.db2.gz HHEHIBVJLRYHFZ-UHFFFAOYSA-N 0 0 367.222 2.683 20 10 FFCDRN CCC(CC)NC(=O)c1nnc(N(C)Cc2ccccc2O)n1C1CC1 ZINC001305726651 1051940209 /nfs/dbraw/zinc/94/02/09/1051940209.db2.gz RMXQJHJEIKJYCH-UHFFFAOYSA-N 0 0 357.458 2.873 20 10 FFCDRN CC(C)C[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCO1 ZINC001343266389 1052118219 /nfs/dbraw/zinc/11/82/19/1052118219.db2.gz VAVBKDHVDRBJRN-FUHWJXTLSA-N 0 0 374.485 2.879 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CNc4ccccc43)CC2)cc1 ZINC001343353198 1052179659 /nfs/dbraw/zinc/17/96/59/1052179659.db2.gz ABDFFPTYINTSCT-MRXNPFEDSA-N 0 0 351.450 2.943 20 10 FFCDRN Nc1ccc(CCNC(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 ZINC001345128747 1052278133 /nfs/dbraw/zinc/27/81/33/1052278133.db2.gz DAXXHBQAGBFRMY-UHFFFAOYSA-N 0 0 352.438 2.659 20 10 FFCDRN Cc1ccsc1CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001345143529 1052288713 /nfs/dbraw/zinc/28/87/13/1052288713.db2.gz YQKQDVQTVSRGGH-UHFFFAOYSA-N 0 0 371.506 2.632 20 10 FFCDRN CC(C)Cn1c(Cc2cnn(C)c2)nnc1N(C)Cc1ccccc1O ZINC001343540778 1052294127 /nfs/dbraw/zinc/29/41/27/1052294127.db2.gz LYUOSUQEUIPIOJ-UHFFFAOYSA-N 0 0 354.458 2.600 20 10 FFCDRN Cc1cc(F)cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1[N+](=O)[O-] ZINC000753092636 1052327261 /nfs/dbraw/zinc/32/72/61/1052327261.db2.gz FNUMJIUKKPPZEZ-UHFFFAOYSA-N 0 0 373.384 2.809 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(CN(C)c1cccc(CC)c1)cc2=O ZINC001307823042 1052354606 /nfs/dbraw/zinc/35/46/06/1052354606.db2.gz 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ZINC001346754665 1053283644 /nfs/dbraw/zinc/28/36/44/1053283644.db2.gz SVAQDKLIYFRPGQ-GFCCVEGCSA-N 0 0 369.387 2.651 20 10 FFCDRN COc1ccc(N2CCN(c3ccc(Br)nn3)CC2)cc1F ZINC001335445135 1053369147 /nfs/dbraw/zinc/36/91/47/1053369147.db2.gz QEMIEYCYMJWNFG-UHFFFAOYSA-N 0 0 367.222 2.713 20 10 FFCDRN Cc1cc(Cn2c(C3SC=CC3=O)nnc2N2CC[C@H]3C[C@H]3C2)no1 ZINC001346953867 1053475670 /nfs/dbraw/zinc/47/56/70/1053475670.db2.gz KUJHRJRJYFHUDO-RYUDHWBXSA-N 0 0 357.439 2.903 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c(Cl)ccnc3F)CC2)cc1F ZINC001347000706 1053522825 /nfs/dbraw/zinc/52/28/25/1053522825.db2.gz QLASWEIGGHPEBS-UHFFFAOYSA-N 0 0 367.783 2.984 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2ncc[nH]2)n1C[C@@H]1CCCCO1 ZINC001347069879 1053592897 /nfs/dbraw/zinc/59/28/97/1053592897.db2.gz LSBSPQYFWHJUPI-HNNXBMFYSA-N 0 0 368.441 2.579 20 10 FFCDRN Cc1nnc(N2CCC[C@H](C)C2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001543261512 1071431002 /nfs/dbraw/zinc/43/10/02/1071431002.db2.gz AVVBMYPAQVWKGP-INIZCTEOSA-N 0 0 355.486 2.708 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)c2nnnn2C)c(C)n1-c1ccc(Cl)cc1 ZINC001336717943 1054162982 /nfs/dbraw/zinc/16/29/82/1054162982.db2.gz YFFUBSHHJUGMIK-LLVKDONJSA-N 0 0 358.833 2.762 20 10 FFCDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccc(N)cc2)c1 ZINC001336756855 1054199657 /nfs/dbraw/zinc/19/96/57/1054199657.db2.gz TZVWJWNWTFWBTC-AWEZNQCLSA-N 0 0 354.454 2.797 20 10 FFCDRN Cc1nnc(Nc2ccn(C)n2)n1Cc1ccc(N2CCSCC2)cc1 ZINC001543366770 1071460217 /nfs/dbraw/zinc/46/02/17/1071460217.db2.gz IUCDBQJAALDGDR-UHFFFAOYSA-N 0 0 369.498 2.665 20 10 FFCDRN Cc1cc(N2CC=C(c3ccc(Cl)nc3)CC2)nc(S(C)(=O)=O)n1 ZINC001337101625 1054479480 /nfs/dbraw/zinc/47/94/80/1054479480.db2.gz ZYMQMDPWULUVRF-UHFFFAOYSA-N 0 0 364.858 2.531 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C[N+](=O)[O-])n1Cc1cccs1 ZINC001348413043 1054681172 /nfs/dbraw/zinc/68/11/72/1054681172.db2.gz HIUBGNMEDKCYNT-UHFFFAOYSA-N 0 0 359.411 2.507 20 10 FFCDRN CCNc1cccnc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001348452306 1054704744 /nfs/dbraw/zinc/70/47/44/1054704744.db2.gz 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C[C@@H](NC(=O)N[C@@H](C)Cc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000847298933 1055416838 /nfs/dbraw/zinc/41/68/38/1055416838.db2.gz SWYIRDMXUXLIQB-DLBZAZTESA-N 0 0 368.481 2.910 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](CCO)[C@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001349753076 1055449376 /nfs/dbraw/zinc/44/93/76/1055449376.db2.gz CFFFEUDVMHSBSV-OALUTQOASA-N 0 0 370.493 2.774 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCc2ccccc2NC1=O ZINC000847318689 1055481901 /nfs/dbraw/zinc/48/19/01/1055481901.db2.gz NFXCYYGBYCOROO-IBGZPJMESA-N 0 0 366.465 2.814 20 10 FFCDRN C[C@@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)OC(C)(C)C ZINC000847323376 1055496761 /nfs/dbraw/zinc/49/67/61/1055496761.db2.gz FOAVODQATYSKHA-HNNXBMFYSA-N 0 0 359.470 2.840 20 10 FFCDRN CC[C@](C)(CO)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000847355263 1055579429 /nfs/dbraw/zinc/57/94/29/1055579429.db2.gz SPPAJEAPOQLILT-QGZVFWFLSA-N 0 0 374.403 2.567 20 10 FFCDRN CCc1nnc([C@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)[nH]1 ZINC001350065575 1055602222 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CCOc1ccc(N2CC[NH+](Cc3ccc(N4CCCC4)cc3)CC2)nn1 ZINC001350592691 1055850580 /nfs/dbraw/zinc/85/05/80/1055850580.db2.gz BTNXDKIOVTVKAM-UHFFFAOYSA-N 0 0 367.497 2.798 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)c3ccnc(N)c3[N+](=O)[O-])cc2)CC1 ZINC000847474699 1055872159 /nfs/dbraw/zinc/87/21/59/1055872159.db2.gz UYHIOERZQDEIKW-UHFFFAOYSA-N 0 0 369.425 2.738 20 10 FFCDRN Cc1cc(C(=O)NCc2cc[nH]n2)c(C)n1-c1ccc(Br)cn1 ZINC001544051105 1071587231 /nfs/dbraw/zinc/58/72/31/1071587231.db2.gz FQBZLVNIXAWJBS-UHFFFAOYSA-N 0 0 374.242 2.905 20 10 FFCDRN COC(=O)c1cc(C)c(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC001350756368 1055923301 /nfs/dbraw/zinc/92/33/01/1055923301.db2.gz JFVCIZQTJVWTCG-AWEZNQCLSA-N 0 0 372.421 2.640 20 10 FFCDRN CCn1c([C@@H](O)c2ccc(F)cc2)nnc1N(C)Cc1ccccc1O ZINC001357551866 1055941814 /nfs/dbraw/zinc/94/18/14/1055941814.db2.gz KJLYGGWDARHNCB-KRWDZBQOSA-N 0 0 356.401 2.861 20 10 FFCDRN CO[C@@](C)(CO)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000847551698 1056041492 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CN(Cc1ccccc1O)c1nnc(-c2nc(C3CC3)no2)n1CC1CC1 ZINC001351489601 1056286677 /nfs/dbraw/zinc/28/66/77/1056286677.db2.gz LOZUSBATHLGLAC-UHFFFAOYSA-N 0 0 366.425 2.958 20 10 FFCDRN O=C(C[C@H]1CNc2ccccc21)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001353495311 1056457286 /nfs/dbraw/zinc/45/72/86/1056457286.db2.gz MDHBZVLQPXINDO-INIZCTEOSA-N 0 0 369.440 2.878 20 10 FFCDRN CN(C)C(=O)Nc1cccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001444018150 1058261972 /nfs/dbraw/zinc/26/19/72/1058261972.db2.gz ANYZOZKKOGDQBV-UHFFFAOYSA-N 0 0 368.397 2.873 20 10 FFCDRN COc1ccc(N2CCN(c3nnc(C)n3CCC3CC3)CC2)cc1F ZINC001518308792 1058339962 /nfs/dbraw/zinc/33/99/62/1058339962.db2.gz LLTSNGPGMDCDKZ-UHFFFAOYSA-N 0 0 359.449 2.861 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC001445648808 1058428008 /nfs/dbraw/zinc/42/80/08/1058428008.db2.gz UDAYIOGIMZUWHQ-UHFFFAOYSA-N 0 0 355.362 2.661 20 10 FFCDRN O=C(CN1CSCCSC1)NCc1c(O)ccc2c1CCCC2 ZINC001445901576 1058454742 /nfs/dbraw/zinc/45/47/42/1058454742.db2.gz 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CO[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2C[C@@H]2CCCCO2)C1 ZINC001519840300 1059123490 /nfs/dbraw/zinc/12/34/90/1059123490.db2.gz HJNZLZMPCCQDST-OLZOCXBDSA-N 0 0 364.471 2.506 20 10 FFCDRN CO[C@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O)C(C)C ZINC001503987117 1059128271 /nfs/dbraw/zinc/12/82/71/1059128271.db2.gz OLDATDNRDUNOME-SJLPKXTDSA-N 0 0 374.485 2.795 20 10 FFCDRN COC[C@@H](Cn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C)OC ZINC001504592507 1059216373 /nfs/dbraw/zinc/21/63/73/1059216373.db2.gz CLNSXKQDOTWDNK-OAHLLOKOSA-N 0 0 362.474 2.579 20 10 FFCDRN CO[C@@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001505103371 1059331009 /nfs/dbraw/zinc/33/10/09/1059331009.db2.gz GZZPTYHLJKXOFU-OAHLLOKOSA-N 0 0 359.449 2.634 20 10 FFCDRN COc1cccc([C@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CCN2)c1 ZINC001454474489 1059545669 /nfs/dbraw/zinc/54/56/69/1059545669.db2.gz NRFMGZDSWSMHOP-QGZVFWFLSA-N 0 0 367.409 2.644 20 10 FFCDRN CO[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)[C@@](C)(CO)C1 ZINC001454679584 1059607076 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CCN(CC)c1ccc(CNC(=O)c2ccnc(-n3cncn3)c2)cc1F ZINC000264505839 509568669 /nfs/dbraw/zinc/56/86/69/509568669.db2.gz PSIIIQILTPPEQH-UHFFFAOYSA-N 0 0 368.416 2.578 20 10 FFCDRN Cc1nc(Cl)ccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000192628066 509570634 /nfs/dbraw/zinc/57/06/34/509570634.db2.gz MDOZYQFMAKMEQV-UHFFFAOYSA-N 0 0 360.845 2.707 20 10 FFCDRN Cc1cn2c(ncc(C(=O)NCc3ccc(N4CCCC4)cc3)c2=O)s1 ZINC000179684952 509573069 /nfs/dbraw/zinc/57/30/69/509573069.db2.gz JLVJOCWPWNKWHZ-UHFFFAOYSA-N 0 0 368.462 2.595 20 10 FFCDRN Cc1cc(Br)cc(CN(C2CC2)[C@@H]2CCS(=O)(=O)C2)c1O ZINC000179710524 509584770 /nfs/dbraw/zinc/58/47/70/509584770.db2.gz OZVFGGXEUKIJHS-CQSZACIVSA-N 0 0 374.300 2.615 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)cc1F ZINC000237266361 509606985 /nfs/dbraw/zinc/60/69/85/509606985.db2.gz CWPZTRVKJFUCEL-GOSISDBHSA-N 0 0 357.429 2.573 20 10 FFCDRN CC1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCOCC1 ZINC000267873196 509650922 /nfs/dbraw/zinc/65/09/22/509650922.db2.gz VWGNWWGHGVZJEM-KRWDZBQOSA-N 0 0 362.470 2.900 20 10 FFCDRN COc1ccc(N(CC(=O)N2CCC3(CC2)OCCO3)[C@@H](C)C2CC2)cc1 ZINC000264716687 509663388 /nfs/dbraw/zinc/66/33/88/509663388.db2.gz NVFPZRDNZCXMFQ-INIZCTEOSA-N 0 0 374.481 2.666 20 10 FFCDRN CC(C)(C)NC(=O)c1ccccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000267904808 509664789 /nfs/dbraw/zinc/66/47/89/509664789.db2.gz AGLDTAAWGKZNGL-UHFFFAOYSA-N 0 0 371.437 2.990 20 10 FFCDRN Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000237516363 509666762 /nfs/dbraw/zinc/66/67/62/509666762.db2.gz NNZQUINVELCKNF-HNNXBMFYSA-N 0 0 371.506 2.996 20 10 FFCDRN CCN(CC)C(=O)CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000267972284 509695568 /nfs/dbraw/zinc/69/55/68/509695568.db2.gz FDBLHBMXUYISEB-QGZVFWFLSA-N 0 0 362.470 2.548 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000193000280 509731336 /nfs/dbraw/zinc/73/13/36/509731336.db2.gz HKOYKTGJEXYKOE-LKFCYVNXSA-N 0 0 369.252 2.889 20 10 FFCDRN CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1nc(-c2cccnc2)no1 ZINC000193003223 509732533 /nfs/dbraw/zinc/73/25/33/509732533.db2.gz CAGNAZHBJAYLEJ-AWEZNQCLSA-N 0 0 354.366 2.670 20 10 FFCDRN COc1cccc([C@H](C)N2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000193021161 509739899 /nfs/dbraw/zinc/73/98/99/509739899.db2.gz XUXVSCQEWJQNLF-AWEZNQCLSA-N 0 0 356.422 2.625 20 10 FFCDRN Cc1nc2n(n1)CCN(C(=O)NCc1ccc(N3CCC(C)CC3)cc1)C2 ZINC000268065685 509743404 /nfs/dbraw/zinc/74/34/04/509743404.db2.gz VAAZHKBRYBOTBV-UHFFFAOYSA-N 0 0 368.485 2.548 20 10 FFCDRN Nc1ccc(CC(=O)NC2CCN(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000237897752 509765964 /nfs/dbraw/zinc/76/59/64/509765964.db2.gz JKONRJPSXMQHOQ-UHFFFAOYSA-N 0 0 359.420 2.870 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)[C@@H]1CCCOC1 ZINC000170794090 509780526 /nfs/dbraw/zinc/78/05/26/509780526.db2.gz SQQJDZULBATGSJ-CQSZACIVSA-N 0 0 372.387 2.585 20 10 FFCDRN CCc1nc(-c2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cc2)n[nH]1 ZINC000183427651 509781855 /nfs/dbraw/zinc/78/18/55/509781855.db2.gz DQCYVRLBQNOOKC-GFCCVEGCSA-N 0 0 366.421 2.806 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2ccccc2)CCOCC1 ZINC000183438080 509791877 /nfs/dbraw/zinc/79/18/77/509791877.db2.gz PHUSSYJCFUCCLF-OAHLLOKOSA-N 0 0 355.434 2.893 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2sc(C)nc2C)cc1 ZINC000268201545 509811598 /nfs/dbraw/zinc/81/15/98/509811598.db2.gz YFIFYACERRZQAK-UHFFFAOYSA-N 0 0 360.483 2.861 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C ZINC000183478210 509814677 /nfs/dbraw/zinc/81/46/77/509814677.db2.gz LMWPMLXAZNHESP-UKRRQHHQSA-N 0 0 362.470 2.572 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCNc1ccccc1[N+](=O)[O-] ZINC000183484319 509818661 /nfs/dbraw/zinc/81/86/61/509818661.db2.gz QTWUISTVXALJSL-GFCCVEGCSA-N 0 0 359.382 2.555 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000183489830 509822252 /nfs/dbraw/zinc/82/22/52/509822252.db2.gz ZPRWXMDRXHPLLR-RDTXWAMCSA-N 0 0 372.440 2.949 20 10 FFCDRN COc1cc(O)c(CN2CCN([C@@H](C)c3cccnc3)CC2)cc1OC ZINC000180248853 509833511 /nfs/dbraw/zinc/83/35/11/509833511.db2.gz JZIMFIIWRCZVKP-HNNXBMFYSA-N 0 0 357.454 2.683 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c(O)cccc1F ZINC000186688930 509855087 /nfs/dbraw/zinc/85/50/87/509855087.db2.gz CCJRCCNHQGVZRB-UHFFFAOYSA-N 0 0 358.413 2.670 20 10 FFCDRN Cc1cc(C)nc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000193371154 509885716 /nfs/dbraw/zinc/88/57/16/509885716.db2.gz OTDUFSRKLOTWSM-UHFFFAOYSA-N 0 0 353.422 2.538 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc(O[C@H]2CCOC2)cc1 ZINC000268499224 509970174 /nfs/dbraw/zinc/97/01/74/509970174.db2.gz SHXORHNRYUEVPP-INIZCTEOSA-N 0 0 358.394 2.630 20 10 FFCDRN Cc1ccc([C@@H](CNC(=O)/C=C/c2ccc(O)c(O)c2)[NH+]2CCCC2)o1 ZINC000180734845 510080065 /nfs/dbraw/zinc/08/00/65/510080065.db2.gz CAPWXMGATPKARV-YXMGTMDOSA-N 0 0 356.422 2.966 20 10 FFCDRN COc1cccc(N2CC[C@H](CNC(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000180740330 510083651 /nfs/dbraw/zinc/08/36/51/510083651.db2.gz URABURGYKYQVCH-IQIBNGDESA-N 0 0 368.433 2.762 20 10 FFCDRN CCn1nc(C)c(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1C ZINC000265550423 510111345 /nfs/dbraw/zinc/11/13/45/510111345.db2.gz YVUHUEYTNADMSH-UHFFFAOYSA-N 0 0 370.497 2.659 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000180856261 510146699 /nfs/dbraw/zinc/14/66/99/510146699.db2.gz HXRXWUAICIMPPR-VUDGCMKMSA-N 0 0 360.360 2.784 20 10 FFCDRN NC(=O)CSc1ccccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000174510987 510150262 /nfs/dbraw/zinc/15/02/62/510150262.db2.gz JQDWZCJIZZEJDN-UHFFFAOYSA-N 0 0 370.474 2.778 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C1(CO)CCC1 ZINC000180935304 510190706 /nfs/dbraw/zinc/19/07/06/510190706.db2.gz OAFRCBFBBDICGK-UHFFFAOYSA-N 0 0 365.065 2.922 20 10 FFCDRN CCc1cnc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000190558053 510204695 /nfs/dbraw/zinc/20/46/95/510204695.db2.gz DUWGAQNUEVMHEA-UHFFFAOYSA-N 0 0 359.451 2.545 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc2c(c1)CC(=O)N2C ZINC000194096401 510213555 /nfs/dbraw/zinc/21/35/55/510213555.db2.gz MICIPQIMFWFKNZ-UHFFFAOYSA-N 0 0 366.421 2.702 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H]3CCC[C@H]3C)cc2)CC1 ZINC000190575502 510215890 /nfs/dbraw/zinc/21/58/90/510215890.db2.gz ZGJNXVAIQPCAAU-VQIMIIECSA-N 0 0 357.498 2.798 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000269095798 510232212 /nfs/dbraw/zinc/23/22/12/510232212.db2.gz MXHFGTCFHOREPO-HNNXBMFYSA-N 0 0 369.421 2.658 20 10 FFCDRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1O ZINC000269109262 510240135 /nfs/dbraw/zinc/24/01/35/510240135.db2.gz BNVIRJRWJYKABN-ZDUSSCGKSA-N 0 0 354.472 2.655 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c2C)cc1 ZINC000184372590 510289922 /nfs/dbraw/zinc/28/99/22/510289922.db2.gz XTWCYOMSQDJSLI-DLUDVSRJSA-N 0 0 362.495 2.942 20 10 FFCDRN COCCc1ccccc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000190782196 510341263 /nfs/dbraw/zinc/34/12/63/510341263.db2.gz FMYVVRKFCBAWAJ-UHFFFAOYSA-N 0 0 369.465 2.539 20 10 FFCDRN CCCOc1ccc(CN2CCS(=O)(=O)c3ccccc3C2)c(O)c1 ZINC000187688051 510388410 /nfs/dbraw/zinc/38/84/10/510388410.db2.gz PDHGNISUQMZHHH-UHFFFAOYSA-N 0 0 361.463 2.971 20 10 FFCDRN FC(F)Oc1ccc2c(c1)CCCN2Cc1nnnn1CC(F)(F)F ZINC000190958564 510434799 /nfs/dbraw/zinc/43/47/99/510434799.db2.gz IKBRSKWVVVFZPF-UHFFFAOYSA-N 0 0 363.290 2.790 20 10 FFCDRN CC(=O)Nc1cccc(NC(=O)CN2CCOc3cc(N(C)C)ccc32)c1 ZINC000175026472 510445203 /nfs/dbraw/zinc/44/52/03/510445203.db2.gz SCJLHFZRMSSIKA-UHFFFAOYSA-N 0 0 368.437 2.549 20 10 FFCDRN C[C@H](NC(=O)C1CCCC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269841258 510567959 /nfs/dbraw/zinc/56/79/59/510567959.db2.gz RNYOCCHNIYNPFO-MAUKXSAKSA-N 0 0 374.481 2.595 20 10 FFCDRN O=Cc1cccc(OCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000269870313 510577009 /nfs/dbraw/zinc/57/70/09/510577009.db2.gz YPZQFRKSBJICQL-IBGZPJMESA-N 0 0 369.417 2.791 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)NCc3cccn3C)cc2F)C[C@H](C)O1 ZINC000266483183 510616063 /nfs/dbraw/zinc/61/60/63/510616063.db2.gz DHUDGPPIUUACNE-GJZGRUSLSA-N 0 0 374.460 2.777 20 10 FFCDRN Cc1cccc(C(=O)N2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)c1 ZINC000181850787 510626086 /nfs/dbraw/zinc/62/60/86/510626086.db2.gz FVHMUZZMOPHBPL-UHFFFAOYSA-N 0 0 368.433 2.703 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC000266561772 510660144 /nfs/dbraw/zinc/66/01/44/510660144.db2.gz VNMLRJKNHDEQEY-UHFFFAOYSA-N 0 0 354.454 2.731 20 10 FFCDRN CC(=O)N[C@@H](CC(=O)N(C)Cc1ccccc1O)c1ccc(F)cc1F ZINC000175504446 510666049 /nfs/dbraw/zinc/66/60/49/510666049.db2.gz CJXVWIXPRIIERI-KRWDZBQOSA-N 0 0 362.376 2.896 20 10 FFCDRN CC(C)OCCCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000181940263 510670615 /nfs/dbraw/zinc/67/06/15/510670615.db2.gz QUCJMVRJOHNAHM-UHFFFAOYSA-N 0 0 363.502 2.870 20 10 FFCDRN CCOc1ccc(CNC(=O)NCc2cccc(OC)c2O)cc1OC ZINC000266650968 510709901 /nfs/dbraw/zinc/70/99/01/510709901.db2.gz HFTUPZCMUSYGCB-UHFFFAOYSA-N 0 0 360.410 2.808 20 10 FFCDRN O=C1/C(=C/c2cc(Cl)cs2)SC(=S)N1CCN1CCOCC1 ZINC000195220289 510722407 /nfs/dbraw/zinc/72/24/07/510722407.db2.gz XNFCOJNPUXYEFA-WQLSENKSSA-N 0 0 374.940 2.935 20 10 FFCDRN CCN(CCCO)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266741193 510759637 /nfs/dbraw/zinc/75/96/37/510759637.db2.gz BVULDXYQLSOTEQ-CQSZACIVSA-N 0 0 371.428 2.671 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000263708825 510802955 /nfs/dbraw/zinc/80/29/55/510802955.db2.gz PMIJDGGPFYSRRM-SFHVURJKSA-N 0 0 352.500 2.616 20 10 FFCDRN CCOC(=O)NCCC(=O)N(CC)Cc1cc(Br)ccc1O ZINC000175847359 510820565 /nfs/dbraw/zinc/82/05/65/510820565.db2.gz FIUQCCXASMVCMV-UHFFFAOYSA-N 0 0 373.247 2.639 20 10 FFCDRN Cc1ccnc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000297301240 510894935 /nfs/dbraw/zinc/89/49/35/510894935.db2.gz HUFZOUDAAXMBEH-UHFFFAOYSA-N 0 0 368.481 2.598 20 10 FFCDRN CC(=O)CCc1ccc(OCCC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000270540465 510901851 /nfs/dbraw/zinc/90/18/51/510901851.db2.gz JPQFHMVLXMSRNI-UHFFFAOYSA-N 0 0 371.433 2.747 20 10 FFCDRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)NCc2ccc(N)cc2)CC1=O ZINC000297330998 510905526 /nfs/dbraw/zinc/90/55/26/510905526.db2.gz XRCSGLCZJFXGCT-ZDUSSCGKSA-N 0 0 373.840 2.600 20 10 FFCDRN COc1ccc(COCCCC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000270563628 510908712 /nfs/dbraw/zinc/90/87/12/510908712.db2.gz VQTUGTRAZDPFPH-UHFFFAOYSA-N 0 0 359.422 2.762 20 10 FFCDRN CC(C)(C)C1=CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000270573553 510910729 /nfs/dbraw/zinc/91/07/29/510910729.db2.gz HGLSWUSREYREMO-UHFFFAOYSA-N 0 0 352.456 2.582 20 10 FFCDRN COCCN(CCO)C(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000275851064 510918679 /nfs/dbraw/zinc/91/86/79/510918679.db2.gz XGKOVEUMESUXQG-QURGRASLSA-N 0 0 370.409 2.508 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3c(F)cccc3F)cc2)CC1 ZINC000276155401 510928808 /nfs/dbraw/zinc/92/88/08/510928808.db2.gz PTOXHYTXMRXXQU-UHFFFAOYSA-N 0 0 373.403 2.563 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/c3ccsc3)cc2)CC1 ZINC000276247799 510930303 /nfs/dbraw/zinc/93/03/03/510930303.db2.gz LNSFKEASTVNQRN-QPJJXVBHSA-N 0 0 369.490 2.746 20 10 FFCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cnn1 ZINC000276205022 510930329 /nfs/dbraw/zinc/93/03/29/510930329.db2.gz KIAXDLPJXSCOFD-LJQANCHMSA-N 0 0 354.454 2.672 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ncc(C(F)(F)F)cn2)cc1 ZINC000297400753 510931489 /nfs/dbraw/zinc/93/14/89/510931489.db2.gz GEXKNKORVCZDJS-UHFFFAOYSA-N 0 0 367.375 2.903 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[S@@](=O)CC2)cc1F ZINC000297420484 510938597 /nfs/dbraw/zinc/93/85/97/510938597.db2.gz YIUBIICRHNPYIF-PWECECGKSA-N 0 0 369.506 2.724 20 10 FFCDRN CCOc1ccc(O)c(CN[C@H](C(=O)OC)c2ccc(OC)c(O)c2)c1 ZINC000276742492 510945576 /nfs/dbraw/zinc/94/55/76/510945576.db2.gz JEUAFRPAHXNXRU-SFHVURJKSA-N 0 0 361.394 2.509 20 10 FFCDRN CCn1nncc1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000294082265 510949972 /nfs/dbraw/zinc/94/99/72/510949972.db2.gz NVBJYQSEHGWESP-UHFFFAOYSA-N 0 0 353.426 2.800 20 10 FFCDRN C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276988426 510951289 /nfs/dbraw/zinc/95/12/89/510951289.db2.gz XCLCXJNRXQXSFB-LBPRGKRZSA-N 0 0 355.406 2.936 20 10 FFCDRN NC(=O)N[C@H]1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1 ZINC000270693135 510952752 /nfs/dbraw/zinc/95/27/52/510952752.db2.gz WQAFAFVHIJPRTG-LRDZBDLTSA-N 0 0 366.425 2.783 20 10 FFCDRN Cc1nn(C)cc1[C@H]1CCCN1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000360911980 510964198 /nfs/dbraw/zinc/96/41/98/510964198.db2.gz HNOKERAPFPHUIE-QGZVFWFLSA-N 0 0 359.449 2.980 20 10 FFCDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1O ZINC000277604185 510967551 /nfs/dbraw/zinc/96/75/51/510967551.db2.gz URGHODSFFVQAMP-VIFPVBQESA-N 0 0 373.247 2.684 20 10 FFCDRN COC1CCN(c2ccc(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)cc2)CC1 ZINC000297497019 510968102 /nfs/dbraw/zinc/96/81/02/510968102.db2.gz MXSCHTGATFPESV-CVEARBPZSA-N 0 0 368.543 2.555 20 10 FFCDRN C[C@@H]1C[C@H](NC(=O)c2cccc(O)c2O)CCN1C(=O)OC(C)(C)C ZINC000278273993 510987022 /nfs/dbraw/zinc/98/70/22/510987022.db2.gz HUOFJYXRJOSAHJ-VXGBXAGGSA-N 0 0 350.415 2.616 20 10 FFCDRN Cc1ccc(O)c(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1 ZINC000294209458 510991198 /nfs/dbraw/zinc/99/11/98/510991198.db2.gz YEWZFPJPRWDZRL-UHFFFAOYSA-N 0 0 355.394 2.567 20 10 FFCDRN C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)ccc1O ZINC000278450973 510994152 /nfs/dbraw/zinc/99/41/52/510994152.db2.gz LNQNXSXSOUXSJI-LBPRGKRZSA-N 0 0 355.276 2.670 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](C)[C@H](O)c2cccc(F)c2)ccc1[N+](=O)[O-] ZINC000278508263 510994923 /nfs/dbraw/zinc/99/49/23/510994923.db2.gz PFECGPAMJNOVPZ-BMIGLBTASA-N 0 0 350.346 2.660 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@](C)(O)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC000278494624 510995700 /nfs/dbraw/zinc/99/57/00/510995700.db2.gz MBSMOAQQYUXUDV-KRWDZBQOSA-N 0 0 350.371 2.516 20 10 FFCDRN CCNC(=O)c1ccc(C)c(NCc2ccc([N+](=O)[O-])c(OC)c2O)c1 ZINC000278642609 511002044 /nfs/dbraw/zinc/00/20/44/511002044.db2.gz HZSWWMFZUPXTFQ-UHFFFAOYSA-N 0 0 359.382 2.979 20 10 FFCDRN C[C@@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000278733147 511004539 /nfs/dbraw/zinc/00/45/39/511004539.db2.gz MXEIRZNMTTYGMR-QMTHXVAHSA-N 0 0 360.285 2.689 20 10 FFCDRN C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cc(F)ccc1O ZINC000282507113 511005276 /nfs/dbraw/zinc/00/52/76/511005276.db2.gz OJGATPJLYDWIAU-AWEZNQCLSA-N 0 0 351.443 2.839 20 10 FFCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H](O)C(F)(F)F ZINC000270879507 511012874 /nfs/dbraw/zinc/01/28/74/511012874.db2.gz OEULFLUVEAXKRL-HIFRSBDPSA-N 0 0 355.360 2.921 20 10 FFCDRN COc1cc(OC)c(OC)cc1NCc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278891999 511013190 /nfs/dbraw/zinc/01/31/90/511013190.db2.gz PUYIPMIDROQUBB-UHFFFAOYSA-N 0 0 364.354 2.947 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2nccc(C(F)F)n2)cc1F ZINC000287357164 511048314 /nfs/dbraw/zinc/04/83/14/511048314.db2.gz XYGVSJACMUJVAH-UHFFFAOYSA-N 0 0 353.348 2.619 20 10 FFCDRN O=C(NCc1noc2c1CCCC2)NCc1ccc(N2CC=CC2)cc1 ZINC000287525285 511052214 /nfs/dbraw/zinc/05/22/14/511052214.db2.gz ROTQVDBDUTWNEF-UHFFFAOYSA-N 0 0 352.438 2.929 20 10 FFCDRN CCOC(=O)c1cnc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n1C ZINC000287796845 511058226 /nfs/dbraw/zinc/05/82/26/511058226.db2.gz LYGDLSKONZYTEA-UHFFFAOYSA-N 0 0 367.409 2.652 20 10 FFCDRN Cc1cccc(CCCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000289084380 511093112 /nfs/dbraw/zinc/09/31/12/511093112.db2.gz PXCKSILCLZMMPA-FMIVXFBMSA-N 0 0 365.477 2.989 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000289083468 511093753 /nfs/dbraw/zinc/09/37/53/511093753.db2.gz IZFRADIESPIPIG-LMMKCTJWSA-N 0 0 374.481 2.595 20 10 FFCDRN CN(C[C@@H]1CCCO1)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000297871090 511095234 /nfs/dbraw/zinc/09/52/34/511095234.db2.gz NSMBSIYPLVSDGU-SFHVURJKSA-N 0 0 374.481 2.691 20 10 FFCDRN COc1ccc(C[C@@H](CO)C[NH2+]Cc2cccc(Cl)c2[O-])cc1O ZINC000289433734 511100542 /nfs/dbraw/zinc/10/05/42/511100542.db2.gz LEJIWNCDADQYCS-CYBMUJFWSA-N 0 0 351.830 2.701 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000289405117 511100656 /nfs/dbraw/zinc/10/06/56/511100656.db2.gz TXCKNNSKWYYXRA-INIZCTEOSA-N 0 0 365.449 2.574 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2COc3ccccc3O2)n1C ZINC000289539908 511103740 /nfs/dbraw/zinc/10/37/40/511103740.db2.gz RELPHVUKGILNHM-KRWDZBQOSA-N 0 0 352.394 2.670 20 10 FFCDRN O=C1NCCN1CCSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 ZINC000289534684 511104375 /nfs/dbraw/zinc/10/43/75/511104375.db2.gz DZWKLGXHDZPWBL-INIZCTEOSA-N 0 0 372.494 2.846 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c(C)n1-c1ccccc1C ZINC000279500391 511106564 /nfs/dbraw/zinc/10/65/64/511106564.db2.gz JPIYWPURDQVQHN-NRFANRHFSA-N 0 0 351.450 2.755 20 10 FFCDRN Cc1cc(Cl)cc(C[NH+]2CCC(S(=O)(=O)N3CCCC3)CC2)c1O ZINC000282801564 511116304 /nfs/dbraw/zinc/11/63/04/511116304.db2.gz RYNWNTYNZQZXEH-UHFFFAOYSA-N 0 0 372.918 2.744 20 10 FFCDRN CSCc1cccnc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000290086943 511127088 /nfs/dbraw/zinc/12/70/88/511127088.db2.gz WNUMFJZUWQTNJH-UHFFFAOYSA-N 0 0 357.479 2.711 20 10 FFCDRN COc1c(O)c(CN2CCC3(C2)Oc2ccccc2O3)ccc1[N+](=O)[O-] ZINC000290269719 511132350 /nfs/dbraw/zinc/13/23/50/511132350.db2.gz XTXPNINUGZWSDB-UHFFFAOYSA-N 0 0 358.350 2.682 20 10 FFCDRN CC[C@@H](CO)N(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000298022001 511145460 /nfs/dbraw/zinc/14/54/60/511145460.db2.gz RNVRBWLJQIXACU-KGLIPLIRSA-N 0 0 371.428 2.669 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2C)c(C)n1-c1ccccc1C ZINC000290572213 511145894 /nfs/dbraw/zinc/14/58/94/511145894.db2.gz GRCZYGGOSKLPGF-SUMWQHHRSA-N 0 0 360.479 2.565 20 10 FFCDRN Cc1cc(=O)c(C(=O)NCc2ccc3c(c2)CCCN3C)cn1C1CC1 ZINC000282895162 511153055 /nfs/dbraw/zinc/15/30/55/511153055.db2.gz CITPXYUVBMVINX-UHFFFAOYSA-N 0 0 351.450 2.804 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cncc(Cl)c1 ZINC000294716422 511153394 /nfs/dbraw/zinc/15/33/94/511153394.db2.gz APIPMECAPHPPEO-UHFFFAOYSA-N 0 0 359.857 2.874 20 10 FFCDRN COCCN(C(=O)c1ccc(C)c(O)c1O)c1ccc(OC)c(OC)c1 ZINC000271327529 511164223 /nfs/dbraw/zinc/16/42/23/511164223.db2.gz YNFIGTXWWQVCDC-UHFFFAOYSA-N 0 0 361.394 2.717 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(O)cc3)CC2)c(O)c1O ZINC000271327528 511164276 /nfs/dbraw/zinc/16/42/76/511164276.db2.gz YNEAEVQLOKNSLE-UHFFFAOYSA-N 0 0 370.405 2.603 20 10 FFCDRN O=C(CCCc1nccs1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000282933749 511167576 /nfs/dbraw/zinc/16/75/76/511167576.db2.gz DAAJYZTTXFRUMQ-UHFFFAOYSA-N 0 0 373.522 2.991 20 10 FFCDRN CN(C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1)C(=O)OC(C)(C)C ZINC000294785051 511176975 /nfs/dbraw/zinc/17/69/75/511176975.db2.gz CXPULURJQPDNLW-LLVKDONJSA-N 0 0 368.405 2.566 20 10 FFCDRN COC(=O)c1cnc(S[C@H](C)C(=O)NCc2ccc(F)cc2)s1 ZINC000294901409 511214299 /nfs/dbraw/zinc/21/42/99/511214299.db2.gz AQDKYMRNAMQQIS-SECBINFHSA-N 0 0 354.428 2.866 20 10 FFCDRN Cc1nc(-c2ccc(OCC(=O)NCc3ccc(N(C)C)cc3)cc2)no1 ZINC000298304769 511239933 /nfs/dbraw/zinc/23/99/33/511239933.db2.gz RYWOESAENOMMOX-UHFFFAOYSA-N 0 0 366.421 2.806 20 10 FFCDRN CC(C)(C)Oc1ccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000271614311 511263130 /nfs/dbraw/zinc/26/31/30/511263130.db2.gz AZZKQTRMANKIIB-UHFFFAOYSA-N 0 0 372.421 2.573 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccc(-n3cnnn3)cc2)C2CC2)cc1 ZINC000298376034 511263857 /nfs/dbraw/zinc/26/38/57/511263857.db2.gz NTSDBNQWVGAHCQ-UHFFFAOYSA-N 0 0 362.437 2.533 20 10 FFCDRN Cc1nn(C)c(C)c1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000271620327 511264723 /nfs/dbraw/zinc/26/47/23/511264723.db2.gz YIZJTWXLFJEOCW-MRXNPFEDSA-N 0 0 358.442 2.956 20 10 FFCDRN CO[C@@H]1CCCC[C@@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000295073170 511272635 /nfs/dbraw/zinc/27/26/35/511272635.db2.gz SGQOGBOATRPSNP-VQTJNVASSA-N 0 0 360.498 2.717 20 10 FFCDRN NC(=O)c1cccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000298638445 511357367 /nfs/dbraw/zinc/35/73/67/511357367.db2.gz DTWXNZSQUSWKIW-KRWDZBQOSA-N 0 0 369.421 2.704 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2O)CCN1C(=O)OC(C)(C)C ZINC000295314533 511359848 /nfs/dbraw/zinc/35/98/48/511359848.db2.gz WAGYUNRXPJSHPG-WDEREUQCSA-N 0 0 368.405 2.755 20 10 FFCDRN Cc1cnc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000291854245 511365716 /nfs/dbraw/zinc/36/57/16/511365716.db2.gz VFJZNBQPPZHWNR-LBPRGKRZSA-N 0 0 351.353 2.983 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O ZINC000291896812 511382226 /nfs/dbraw/zinc/38/22/26/511382226.db2.gz JPYVEPFAZJBIDR-FUHWJXTLSA-N 0 0 366.417 2.782 20 10 FFCDRN CC1(C)NC(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O ZINC000272060764 511417222 /nfs/dbraw/zinc/41/72/22/511417222.db2.gz CIWHYYSKLUDUNK-LBPRGKRZSA-N 0 0 353.369 2.587 20 10 FFCDRN COc1cc(O)c(CNc2ccc(OC(C)C)c(C(N)=O)c2)cc1OC ZINC000280325411 511422420 /nfs/dbraw/zinc/42/24/20/511422420.db2.gz QRUVYNUFBXLPSK-UHFFFAOYSA-N 0 0 360.410 2.908 20 10 FFCDRN O=S(=O)(NC1CC[NH+](Cc2cccc(F)c2[O-])CC1)c1cccs1 ZINC000272320791 511490641 /nfs/dbraw/zinc/49/06/41/511490641.db2.gz UFMALEGVCMYSQF-UHFFFAOYSA-N 0 0 370.471 2.536 20 10 FFCDRN CN(Cc1nccn1CC(F)(F)F)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272510406 511497057 /nfs/dbraw/zinc/49/70/57/511497057.db2.gz UOAZEVARPHIMKE-HWKANZROSA-N 0 0 355.316 2.528 20 10 FFCDRN C[C@@H](CCNC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)OC(C)(C)C ZINC000272518112 511497677 /nfs/dbraw/zinc/49/76/77/511497677.db2.gz VMLJSBOPVLFLEG-WMADIVHISA-N 0 0 350.415 2.531 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc(C(N)=S)cc3)CC2)cc1 ZINC000363375153 511510379 /nfs/dbraw/zinc/51/03/79/511510379.db2.gz PMYZJBJQZLSADO-UHFFFAOYSA-N 0 0 369.490 2.682 20 10 FFCDRN CCn1cnc2c1ncnc2N1CCCN(c2ccc(OC)cc2)CC1 ZINC000363382265 511515372 /nfs/dbraw/zinc/51/53/72/511515372.db2.gz SDTLTFWAUHTKFQ-UHFFFAOYSA-N 0 0 352.442 2.572 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000273604135 511549478 /nfs/dbraw/zinc/54/94/78/511549478.db2.gz SSVJKAPHWWZBTA-LLVKDONJSA-N 0 0 360.376 2.856 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCCCO2)n1C[C@H]1CCOC1 ZINC000295974382 511573373 /nfs/dbraw/zinc/57/33/73/511573373.db2.gz LUWPIFJNNPBWQU-QAPCUYQASA-N 0 0 372.469 2.898 20 10 FFCDRN Cc1nn(C(F)F)c(C)c1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000299302073 511584595 /nfs/dbraw/zinc/58/45/95/511584595.db2.gz AVCLVLDYHIYBJD-UHFFFAOYSA-N 0 0 354.376 2.959 20 10 FFCDRN COCCn1c(C)c(C)c2cc(-c3nc(CCN(C)C(C)=O)no3)ccc21 ZINC000273752192 511596276 /nfs/dbraw/zinc/59/62/76/511596276.db2.gz CKSGPFVNVHLIPG-UHFFFAOYSA-N 0 0 370.453 2.975 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)cc1F ZINC000299450572 511640372 /nfs/dbraw/zinc/64/03/72/511640372.db2.gz UEUKFSMDCROOIM-MRXNPFEDSA-N 0 0 358.417 2.869 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2cnn(C)c2)cc1 ZINC000299647965 511666036 /nfs/dbraw/zinc/66/60/36/511666036.db2.gz OGGIELPAUZMBMA-UHFFFAOYSA-N 0 0 352.438 2.851 20 10 FFCDRN Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CCC(N)=O)c1cccc(C)c1 ZINC000299615171 511666048 /nfs/dbraw/zinc/66/60/48/511666048.db2.gz ZJXBLGNLEBXGHI-BQYQJAHWSA-N 0 0 360.845 2.612 20 10 FFCDRN Cc1ncncc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000299689464 511667141 /nfs/dbraw/zinc/66/71/41/511667141.db2.gz VLHYHGQGRXGVEI-SFHVURJKSA-N 0 0 354.454 2.672 20 10 FFCDRN CCN(Cc1c(C)nn(CCS(C)(=O)=O)c1C)c1ccc(OC)cc1 ZINC000280987024 511679044 /nfs/dbraw/zinc/67/90/44/511679044.db2.gz DOJFAPZYMFTLRZ-UHFFFAOYSA-N 0 0 365.499 2.580 20 10 FFCDRN COc1ncc(Cl)c(NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000301686592 511699046 /nfs/dbraw/zinc/69/90/46/511699046.db2.gz LWKVVCKDAISBOA-UHFFFAOYSA-N 0 0 362.861 2.959 20 10 FFCDRN C[C@H]1C[C@H](c2cccnc2)N(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)C1 ZINC000302158174 511707266 /nfs/dbraw/zinc/70/72/66/511707266.db2.gz XBMJRUWEUOEUOM-SMDDNHRTSA-N 0 0 354.366 2.908 20 10 FFCDRN CN(C)c1ccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)cc1F ZINC000274200066 511751912 /nfs/dbraw/zinc/75/19/12/511751912.db2.gz GPHYSFRFGZRGKE-QGZVFWFLSA-N 0 0 350.459 2.767 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCCc1cn2c(n1)SCC2 ZINC000274370931 511811579 /nfs/dbraw/zinc/81/15/79/511811579.db2.gz QCLJLUNOYDATCS-UHFFFAOYSA-N 0 0 360.483 2.859 20 10 FFCDRN CC(C)[C@H](NC(=O)c1cccc(O)c1O)c1nc(-c2ccncc2)no1 ZINC000366073633 511823672 /nfs/dbraw/zinc/82/36/72/511823672.db2.gz PDPPKVQKAPCANF-AWEZNQCLSA-N 0 0 354.366 2.670 20 10 FFCDRN 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/nfs/dbraw/zinc/84/82/77/607848277.db2.gz UVVMKHNJDJBDRF-UHFFFAOYSA-N 0 0 350.357 2.896 20 10 FFCDRN Cc1ccc(NC(=O)NCCCSc2nccs2)cc1C(N)=O ZINC000153367146 728778138 /nfs/dbraw/zinc/77/81/38/728778138.db2.gz IEQLTXYEVHZBRH-UHFFFAOYSA-N 0 0 350.469 2.854 20 10 FFCDRN Cc1ccccc1[C@@H](O)CNC(=O)NCCCSc1nccs1 ZINC000154595765 728807664 /nfs/dbraw/zinc/80/76/64/728807664.db2.gz CXMSRROMRBESPX-AWEZNQCLSA-N 0 0 351.497 2.967 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2nc(C(F)(F)F)cs2)c1 ZINC000155125928 728820837 /nfs/dbraw/zinc/82/08/37/728820837.db2.gz HAVXCLFQENFIAJ-UHFFFAOYSA-N 0 0 361.345 2.876 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000159633228 728910227 /nfs/dbraw/zinc/91/02/27/728910227.db2.gz PXONPQNKEZIADL-UHFFFAOYSA-N 0 0 361.398 2.538 20 10 FFCDRN CCCCn1nnnc1CN(CC)Cc1cc(Br)ccc1O ZINC000743870916 735323303 /nfs/dbraw/zinc/32/33/03/735323303.db2.gz HHUMUFWOPXCMLW-UHFFFAOYSA-N 0 0 368.279 2.963 20 10 FFCDRN Cc1ccc(O)c(CN2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)c1 ZINC000898458212 735362967 /nfs/dbraw/zinc/36/29/67/735362967.db2.gz WGNBFKRZGBXVKO-HUUCEWRRSA-N 0 0 363.401 2.642 20 10 FFCDRN CC(C)C[C@H](CNC(=O)C1=CC(=O)CS1)CC(=O)O[C@@H]1CCOC1 ZINC000898563384 735383490 /nfs/dbraw/zinc/38/34/90/735383490.db2.gz UBNZPVBSUSNRSY-GXTWGEPZSA-N 0 0 355.456 2.568 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC000745827343 735446516 /nfs/dbraw/zinc/44/65/16/735446516.db2.gz FREPGINCTQVZKE-SWLSCSKDSA-N 0 0 359.392 2.922 20 10 FFCDRN COCCOC[C@@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745863818 735448189 /nfs/dbraw/zinc/44/81/89/735448189.db2.gz JDOYNVVYUPUVJL-MRXNPFEDSA-N 0 0 351.491 2.724 20 10 FFCDRN CCN(CC(=O)Nc1cccc(S(C)(=O)=O)c1)c1ccc(OC)cc1 ZINC000746110000 735463441 /nfs/dbraw/zinc/46/34/41/735463441.db2.gz ZLEMWDYFTPVISJ-UHFFFAOYSA-N 0 0 362.451 2.564 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Cl)cc1[N+](=O)[O-] ZINC000899344797 735477755 /nfs/dbraw/zinc/47/77/55/735477755.db2.gz YKZSSKUGJPHXST-GHXNOFRVSA-N 0 0 353.787 2.551 20 10 FFCDRN COc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1C ZINC000041374265 727939923 /nfs/dbraw/zinc/93/99/23/727939923.db2.gz CWYZIYJUPMBJDX-UHFFFAOYSA-N 0 0 362.451 2.641 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CSc2nncn2C(C)(C)C)cc1 ZINC000067749364 728184211 /nfs/dbraw/zinc/18/42/11/728184211.db2.gz OCBULOYMYKEWJI-UHFFFAOYSA-N 0 0 361.515 2.850 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(C)n1 ZINC000075416738 728247441 /nfs/dbraw/zinc/24/74/41/728247441.db2.gz FRRXIOVTLUSWQQ-UHFFFAOYSA-N 0 0 350.216 2.915 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N(C)Cc3nccs3)CC2)cc1 ZINC000080672915 728330439 /nfs/dbraw/zinc/33/04/39/728330439.db2.gz QNIVRCGFONHURQ-UHFFFAOYSA-N 0 0 360.483 2.962 20 10 FFCDRN COc1ccc(N(C[C@H]2CCCN(S(C)(=O)=O)C2)C(C)C)cc1F ZINC000085791700 728430118 /nfs/dbraw/zinc/43/01/18/728430118.db2.gz VKCDXPZZFAABJS-AWEZNQCLSA-N 0 0 358.479 2.721 20 10 FFCDRN C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000093909082 728478249 /nfs/dbraw/zinc/47/82/49/728478249.db2.gz FFRRXWCNSIDIHT-NSHDSACASA-N 0 0 366.414 2.736 20 10 FFCDRN COC(=O)c1c(C)c(C)sc1NC(=O)CN(C)Cc1ccccc1O ZINC000109768920 728529065 /nfs/dbraw/zinc/52/90/65/728529065.db2.gz USLZRDAXGAUWTF-UHFFFAOYSA-N 0 0 362.451 2.928 20 10 FFCDRN CC[C@H](C)[C@@](C)(O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000112441806 728545360 /nfs/dbraw/zinc/54/53/60/728545360.db2.gz RTOBOMWBRLZFPZ-KXBFYZLASA-N 0 0 365.543 2.836 20 10 FFCDRN CC(C)[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000114800156 728563005 /nfs/dbraw/zinc/56/30/05/728563005.db2.gz WTJCGWYYBASNTJ-ZDUSSCGKSA-N 0 0 354.472 2.662 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115280371 728564931 /nfs/dbraw/zinc/56/49/31/728564931.db2.gz CYCDMLDLHBFQBM-UHFFFAOYSA-N 0 0 360.479 2.785 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cc(I)c[nH]1 ZINC000118775213 728584427 /nfs/dbraw/zinc/58/44/27/728584427.db2.gz KOOYDLCQGVSCGF-UHFFFAOYSA-N 0 0 356.163 2.597 20 10 FFCDRN C[C@@H](O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000120785856 728615579 /nfs/dbraw/zinc/61/55/79/728615579.db2.gz DNERXIXOSOJSOK-NVXWUHKLSA-N 0 0 363.527 2.542 20 10 FFCDRN COc1ccc(N(C)CC(=O)NC(=O)NCc2cccs2)cc1Cl ZINC000121904846 728641708 /nfs/dbraw/zinc/64/17/08/728641708.db2.gz VAAFJJVWLXQWTH-UHFFFAOYSA-N 0 0 367.858 2.872 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1c[nH]c(C(C)C)n1 ZINC000122814501 728652026 /nfs/dbraw/zinc/65/20/26/728652026.db2.gz YLXWXFJSWJGIAQ-UHFFFAOYSA-N 0 0 350.488 2.810 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@@H]1CCCS1 ZINC000125279375 728681388 /nfs/dbraw/zinc/68/13/88/728681388.db2.gz VGYYPGSNYGXCIL-SFHVURJKSA-N 0 0 363.527 2.590 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](C)O)c(C)n1-c1cccc(Br)c1 ZINC000129372086 728711326 /nfs/dbraw/zinc/71/13/26/728711326.db2.gz CJXVNPRFOGWNPN-LLVKDONJSA-N 0 0 351.244 2.967 20 10 FFCDRN C[C@@H]([NH2+]CCCO)c1cc(Br)cc(Br)c1[O-] ZINC000134903842 728733986 /nfs/dbraw/zinc/73/39/86/728733986.db2.gz DETDULHWEBRNDK-SSDOTTSWSA-N 0 0 353.054 2.950 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCCc3cscn3)CC2)cc1 ZINC000151569299 728745941 /nfs/dbraw/zinc/74/59/41/728745941.db2.gz IBFSYFQTGZOGAL-UHFFFAOYSA-N 0 0 360.483 2.662 20 10 FFCDRN Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(Br)n1 ZINC000151561529 728745964 /nfs/dbraw/zinc/74/59/64/728745964.db2.gz YMWMXOMWHSCQTG-UHFFFAOYSA-N 0 0 366.215 2.928 20 10 FFCDRN CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3ccc(Cl)cc32)c1 ZINC000172683562 729030628 /nfs/dbraw/zinc/03/06/28/729030628.db2.gz XTQBUJFWJZQFPY-GORDUTHDSA-N 0 0 357.797 2.533 20 10 FFCDRN Cc1cc(C(=O)NCCCSc2nccs2)ccc1-n1cncn1 ZINC000173702200 729052562 /nfs/dbraw/zinc/05/25/62/729052562.db2.gz MPVLZWXTBNBXCD-UHFFFAOYSA-N 0 0 359.480 2.944 20 10 FFCDRN Cc1ccc(C)c(S(=O)(=O)N2CCN(Cc3ccccc3O)CC2)c1 ZINC000179552579 729188956 /nfs/dbraw/zinc/18/89/56/729188956.db2.gz IQVDZKOMKOEXQF-UHFFFAOYSA-N 0 0 360.479 2.516 20 10 FFCDRN O=C(CSCC(=O)c1ccc(Cl)cc1)NCc1ccc(O)c(O)c1 ZINC000778920156 738420926 /nfs/dbraw/zinc/42/09/26/738420926.db2.gz YBMNKEMXIWRICE-UHFFFAOYSA-N 0 0 365.838 2.984 20 10 FFCDRN CSc1ncc(C(=O)NCc2ccc(O)c(O)c2)n1-c1ccccc1 ZINC000182542535 729281169 /nfs/dbraw/zinc/28/11/69/729281169.db2.gz JSPLKMLHXXXWIB-UHFFFAOYSA-N 0 0 355.419 2.935 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc(OCC(F)F)ccn2)cc1F ZINC000182657883 729283821 /nfs/dbraw/zinc/28/38/21/729283821.db2.gz ZKCUPHWQFINEIB-UHFFFAOYSA-N 0 0 353.344 2.861 20 10 FFCDRN O=C(CCSc1ccc2c(c1)OCCO2)NCc1ccc(O)c(O)c1 ZINC000778925925 738421658 /nfs/dbraw/zinc/42/16/58/738421658.db2.gz QULSIOLLQVDQAS-UHFFFAOYSA-N 0 0 361.419 2.668 20 10 FFCDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000187229331 729373833 /nfs/dbraw/zinc/37/38/33/729373833.db2.gz XFOGYMFHQQHNEM-OAHLLOKOSA-N 0 0 357.376 2.518 20 10 FFCDRN O=C(CSC1CCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000193562748 729483116 /nfs/dbraw/zinc/48/31/16/729483116.db2.gz MIJAFPIHQZYWAS-UHFFFAOYSA-N 0 0 352.475 2.954 20 10 FFCDRN Oc1c(Br)cccc1CNc1ncn(CC(F)(F)F)n1 ZINC000195170369 729531589 /nfs/dbraw/zinc/53/15/89/729531589.db2.gz LEGNTXBZPHGZQV-UHFFFAOYSA-N 0 0 351.126 2.921 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCCc2c1cnn2CCO ZINC000314611357 729746765 /nfs/dbraw/zinc/74/67/65/729746765.db2.gz FLSPVOOTSOGMDD-AWEZNQCLSA-N 0 0 366.259 2.511 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](N3CCOCC3)C2)c1O ZINC000382456390 729834555 /nfs/dbraw/zinc/83/45/55/729834555.db2.gz COTZMJQYBUOGLQ-MRXNPFEDSA-N 0 0 352.862 2.545 20 10 FFCDRN CCN1CCN(Cc2cc(Br)cc(OC)c2O)C(C)(C)C1=O ZINC000779198328 738443125 /nfs/dbraw/zinc/44/31/25/738443125.db2.gz DSBGMYCJQPRARU-UHFFFAOYSA-N 0 0 371.275 2.606 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccccc2-c2ccno2)cc1 ZINC000779423505 738463348 /nfs/dbraw/zinc/46/33/48/738463348.db2.gz IQYPFCYLPBGZMA-UHFFFAOYSA-N 0 0 357.435 2.886 20 10 FFCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(Br)c[nH]c1=O ZINC000779496958 738468034 /nfs/dbraw/zinc/46/80/34/738468034.db2.gz DAJQOXANTAUHIM-DUXPYHPUSA-N 0 0 351.156 2.613 20 10 FFCDRN C[C@H](NC(=O)NCC[C@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000856826369 730360767 /nfs/dbraw/zinc/36/07/67/730360767.db2.gz JWZODDJUDFVSDV-ZFWWWQNUSA-N 0 0 353.413 2.929 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@H]([S@@](C)=O)C2)c(C)n1-c1ccccn1 ZINC000857309089 730390586 /nfs/dbraw/zinc/39/05/86/730390586.db2.gz OXOXXIKJRWGYGZ-ITNZAGEZSA-N 0 0 359.495 2.909 20 10 FFCDRN CC(C)(C)OC(=O)N[C@]12CCC[C@@H]1CN(C(=O)C1=CC(=O)CS1)C2 ZINC000857418680 730396429 /nfs/dbraw/zinc/39/64/29/730396429.db2.gz MZIBPCXHKBVMAA-DIFFPNOSSA-N 0 0 352.456 2.973 20 10 FFCDRN C[C@H]([NH2+]CCN1CC[C@@H](O)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000858548784 730428524 /nfs/dbraw/zinc/42/85/24/730428524.db2.gz PDLZMIIITTXOAC-GXSJLCMTSA-N 0 0 363.683 2.525 20 10 FFCDRN Cc1cc(CNS(=O)(=O)c2ccnn2C)c(C)n1-c1cccc(C)c1 ZINC000859362625 730452070 /nfs/dbraw/zinc/45/20/70/730452070.db2.gz FSWXBFKILSNOHF-UHFFFAOYSA-N 0 0 358.467 2.615 20 10 FFCDRN Cc1cn(CC(=O)NCc2ccc(N(C)C)cc2C)nc1C(F)(F)F ZINC000859421278 730454162 /nfs/dbraw/zinc/45/41/62/730454162.db2.gz UIRIKNLGWGYBBL-UHFFFAOYSA-N 0 0 354.376 2.901 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H]([C@H](F)C(=O)NCc2ccccc2O)C1 ZINC000860234311 730492202 /nfs/dbraw/zinc/49/22/02/730492202.db2.gz RUIPKMNFYKGBLS-ZFWWWQNUSA-N 0 0 352.406 2.604 20 10 FFCDRN CCS(=O)(=O)Cc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1 ZINC000861172622 730584378 /nfs/dbraw/zinc/58/43/78/730584378.db2.gz PPTYFNKBIIMAAM-UHFFFAOYSA-N 0 0 362.451 2.957 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cn1ccc(C(F)F)n1 ZINC000862002111 730660500 /nfs/dbraw/zinc/66/05/00/730660500.db2.gz LOJQEMWWZOZPAO-CYBMUJFWSA-N 0 0 350.413 2.943 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C(=O)Nc2nc3c(s2)CCC3(C)C)c1 ZINC000862024789 730662336 /nfs/dbraw/zinc/66/23/36/730662336.db2.gz GTIZITGNNZFBCM-UHFFFAOYSA-N 0 0 359.451 2.636 20 10 FFCDRN O=C(c1ccco1)N1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862212522 730676652 /nfs/dbraw/zinc/67/66/52/730676652.db2.gz SVPNGXOAQQOVKN-UHFFFAOYSA-N 0 0 365.227 2.706 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCS(=O)(=O)C3(CCCCC3)C2)cc1F ZINC000862251706 730682405 /nfs/dbraw/zinc/68/24/05/730682405.db2.gz LOLZEGAAXPDEFM-UHFFFAOYSA-N 0 0 372.481 2.964 20 10 FFCDRN COC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1c(O)cccc1Br ZINC000862338222 730689715 /nfs/dbraw/zinc/68/97/15/730689715.db2.gz MYUCPDFFDVPHND-ZETOZRRWSA-N 0 0 354.244 2.928 20 10 FFCDRN Cc1cccc(CN2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)c1O ZINC000862437958 730702325 /nfs/dbraw/zinc/70/23/25/730702325.db2.gz JVBZHKVYCPGRKC-GOSISDBHSA-N 0 0 361.463 2.678 20 10 FFCDRN CSCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2C)c1C)C(N)=O ZINC000862715362 730721209 /nfs/dbraw/zinc/72/12/09/730721209.db2.gz WTKIXCJZDQXIMV-INIZCTEOSA-N 0 0 359.495 2.739 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CCCN2C(=O)Cc2cccs2)c1 ZINC000862758663 730723703 /nfs/dbraw/zinc/72/37/03/730723703.db2.gz GBPLKTKIICOZIL-INIZCTEOSA-N 0 0 358.463 2.612 20 10 FFCDRN CC1(C)CCC(C)(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000862967350 730738623 /nfs/dbraw/zinc/73/86/23/730738623.db2.gz FHPPWPYHWHHWKD-UHFFFAOYSA-N 0 0 354.472 2.852 20 10 FFCDRN COC(=O)C1=C(C)N(C)C(=O)N(C)[C@H]1c1cc(F)c(N(C)C)cc1F ZINC000863388113 730775064 /nfs/dbraw/zinc/77/50/64/730775064.db2.gz VFBCMJJTQCLPIY-HNNXBMFYSA-N 0 0 353.369 2.516 20 10 FFCDRN CC1=C(C(=O)OC(C)C)[C@@H](c2cc(F)c(N(C)C)cc2F)NC(=S)N1 ZINC000863391736 730775537 /nfs/dbraw/zinc/77/55/37/730775537.db2.gz NTUGEEYJKQSLCW-OAHLLOKOSA-N 0 0 369.437 2.775 20 10 FFCDRN COCCN(C(=O)c1cc2cc(O)c(O)cc2s1)C1CCOCC1 ZINC000913773154 737445907 /nfs/dbraw/zinc/44/59/07/737445907.db2.gz XFEPAIOHXYAREG-UHFFFAOYSA-N 0 0 351.424 2.580 20 10 FFCDRN CN(C)c1cc(F)c(C[NH2+][C@H](Cc2ccc(F)cc2)C(=O)[O-])cc1F ZINC000864509980 730855052 /nfs/dbraw/zinc/85/50/52/730855052.db2.gz UBFKVBWMFFTZKU-MRXNPFEDSA-N 0 0 352.356 2.955 20 10 FFCDRN O=C(CC(F)(F)C(F)(F)F)NCc1ccc(N2CCOCC2)cc1 ZINC000864984356 730899235 /nfs/dbraw/zinc/89/92/35/730899235.db2.gz PJMCBRGRFZRMQC-UHFFFAOYSA-N 0 0 352.303 2.727 20 10 FFCDRN CC(C)(C)OC(=O)COCC[NH2+]Cc1cccc(Br)c1[O-] ZINC000865683335 730985690 /nfs/dbraw/zinc/98/56/90/730985690.db2.gz CRXNNBHKZIBSTD-UHFFFAOYSA-N 0 0 360.248 2.603 20 10 FFCDRN COC(=O)c1ccc(/C=C\C(=O)NCCCSc2nccs2)o1 ZINC000865786010 730997642 /nfs/dbraw/zinc/99/76/42/730997642.db2.gz XQELPQJHDQXQGT-XQRVVYSFSA-N 0 0 352.437 2.835 20 10 FFCDRN CC(C)(O)C(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000925358567 738499694 /nfs/dbraw/zinc/49/96/94/738499694.db2.gz BCYUSGMLNJKORS-UHFFFAOYSA-N 0 0 354.834 2.607 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3CC4(CSC4)C3)CC2)cc1F ZINC000866459079 731062832 /nfs/dbraw/zinc/06/28/32/731062832.db2.gz GYJBDZZTCCXYSC-UHFFFAOYSA-N 0 0 350.459 2.626 20 10 FFCDRN CC(C)C1(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000866605032 731079737 /nfs/dbraw/zinc/07/97/37/731079737.db2.gz KHRKZHMKIGBXAQ-OAHLLOKOSA-N 0 0 352.500 2.692 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCOC1 ZINC000779979702 738503871 /nfs/dbraw/zinc/50/38/71/738503871.db2.gz DLLCCJKZWPDRDP-WBVHZDCISA-N 0 0 363.527 2.854 20 10 FFCDRN COCc1cc(Cl)cc(S(=O)(=O)N2Cc3cccc(O)c3C2)c1 ZINC000867690726 731213717 /nfs/dbraw/zinc/21/37/17/731213717.db2.gz 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CO[C@]1(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CCSC1 ZINC000719258657 734377455 /nfs/dbraw/zinc/37/74/55/734377455.db2.gz HKNPQKRQPXLMEE-ZDUSSCGKSA-N 0 0 350.253 2.906 20 10 FFCDRN CC(C)CS(=O)(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726602074 734436714 /nfs/dbraw/zinc/43/67/14/734436714.db2.gz WTAPEZGHTNQWMK-UHFFFAOYSA-N 0 0 362.442 2.832 20 10 FFCDRN O=S1(=O)CCN(c2ccc(CNc3ncnc4sccc43)cc2)CC1 ZINC000726967872 734456435 /nfs/dbraw/zinc/45/64/35/734456435.db2.gz GHVOYKBFYPCMOI-UHFFFAOYSA-N 0 0 374.491 2.538 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2csc(-c3ccsc3)n2)SC1=S ZINC000727175655 734470195 /nfs/dbraw/zinc/47/01/95/734470195.db2.gz DMNRAUIGWQWTIK-YCRREMRBSA-N 0 0 367.502 2.558 20 10 FFCDRN Oc1ccc(CCNC(=S)Nc2ccc3c(c2)OCCCO3)cc1O ZINC000727268673 734475106 /nfs/dbraw/zinc/47/51/06/734475106.db2.gz PMTQGYWIQRNYHU-UHFFFAOYSA-N 0 0 360.435 2.788 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1O ZINC000727762211 734499801 /nfs/dbraw/zinc/49/98/01/734499801.db2.gz CKWSSVNADKBTGE-SNVBAGLBSA-N 0 0 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COc1ccc(N(CCN2CCCS2(=O)=O)Cc2ccccc2)cc1 ZINC000747668385 735580477 /nfs/dbraw/zinc/58/04/77/735580477.db2.gz BOGZJJASVCTIQI-UHFFFAOYSA-N 0 0 360.479 2.737 20 10 FFCDRN CO[C@@H](C)c1noc(COC(=O)c2sc3nc(C)cc(C)c3c2N)n1 ZINC000747680155 735582045 /nfs/dbraw/zinc/58/20/45/735582045.db2.gz IWXLJDNDUSUYIS-VIFPVBQESA-N 0 0 362.411 2.943 20 10 FFCDRN Cc1ccc(Br)cc1NC(=O)C(=O)NCc1ccccc1O ZINC000748480776 735648764 /nfs/dbraw/zinc/64/87/64/735648764.db2.gz BZJAOXJWEGEMFE-UHFFFAOYSA-N 0 0 363.211 2.718 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCCSC1 ZINC000748962829 735685282 /nfs/dbraw/zinc/68/52/82/735685282.db2.gz WVNQVBHOVCPYIH-HNNXBMFYSA-N 0 0 351.541 2.935 20 10 FFCDRN O=C(c1csc2cncn21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000749189179 735703089 /nfs/dbraw/zinc/70/30/89/735703089.db2.gz SEJSYHSJFIRWNN-CQSZACIVSA-N 0 0 357.435 2.923 20 10 FFCDRN CS[C@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000752149906 735961113 /nfs/dbraw/zinc/96/11/13/735961113.db2.gz OVAXNYQYZHUWPD-MGPQQGTHSA-N 0 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CCC1CCC(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000921075747 737943727 /nfs/dbraw/zinc/94/37/27/737943727.db2.gz JYRWMTQTACIIBT-UHFFFAOYSA-N 0 0 354.472 2.710 20 10 FFCDRN Cn1ccc([C@H]2CCCN(C(=O)NCCCSc3nccs3)C2)n1 ZINC000921447954 737986304 /nfs/dbraw/zinc/98/63/04/737986304.db2.gz YTKFFLGURHENQY-ZDUSSCGKSA-N 0 0 365.528 2.948 20 10 FFCDRN CCC(CC)NC(=O)C(=O)N(CC)Cc1cc(Br)ccc1O ZINC000774602524 738004680 /nfs/dbraw/zinc/00/46/80/738004680.db2.gz PIQRBELJTGQFBB-UHFFFAOYSA-N 0 0 371.275 2.808 20 10 FFCDRN CCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2C(=O)OC)c(C)c1 ZINC000775286984 738078615 /nfs/dbraw/zinc/07/86/15/738078615.db2.gz SVGWVUDKVPEYMO-UHFFFAOYSA-N 0 0 365.407 2.687 20 10 FFCDRN COC(=O)c1cnc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000922056378 738084943 /nfs/dbraw/zinc/08/49/43/738084943.db2.gz ZHEQZLQKJWUIOW-LLVKDONJSA-N 0 0 362.455 2.556 20 10 FFCDRN CC[C@H](NCc1nnnn1C1CC1)c1cc(Br)ccc1O ZINC000775528364 738099784 /nfs/dbraw/zinc/09/97/84/738099784.db2.gz XPJSHJSCPKHCTE-LBPRGKRZSA-N 0 0 352.236 2.717 20 10 FFCDRN COc1ccc(N2CCN(CCNc3sccc3[N+](=O)[O-])CC2)cc1 ZINC000775670067 738111301 /nfs/dbraw/zinc/11/13/01/738111301.db2.gz HJZLCKXTEDVIKO-UHFFFAOYSA-N 0 0 362.455 2.899 20 10 FFCDRN O=C(C[N@H+](Cc1cccc(Cl)c1[O-])C[C@H]1CCCO1)N1CCCC1 ZINC000775719476 738117004 /nfs/dbraw/zinc/11/70/04/738117004.db2.gz UOEBZZMPPAOPOE-OAHLLOKOSA-N 0 0 352.862 2.649 20 10 FFCDRN CCOC(=O)C[C@@H]1C[C@H](OC)C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000776015151 738152726 /nfs/dbraw/zinc/15/27/26/738152726.db2.gz UNSXTMKEMNQYIZ-STQMWFEESA-N 0 0 372.259 2.697 20 10 FFCDRN Cc1nnc([C@@H]2CCCN(C(=O)NCCCSc3nccs3)C2)[nH]1 ZINC000776160688 738167149 /nfs/dbraw/zinc/16/71/49/738167149.db2.gz DRPQOCRXRFOHPM-GFCCVEGCSA-N 0 0 366.516 2.641 20 10 FFCDRN CCOCCOCC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000922944407 738222685 /nfs/dbraw/zinc/22/26/85/738222685.db2.gz LRTXCQHSRYEUJE-UHFFFAOYSA-N 0 0 352.656 2.951 20 10 FFCDRN COC(=O)c1cccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)c1C ZINC000776748665 738228767 /nfs/dbraw/zinc/22/87/67/738228767.db2.gz BBWVJDNDBHCWMD-UHFFFAOYSA-N 0 0 355.799 2.941 20 10 FFCDRN COc1nc(C)c(Br)cc1C(=O)NCc1ccccc1O ZINC000777135516 738267384 /nfs/dbraw/zinc/26/73/84/738267384.db2.gz HOOOJWLXKWFLLQ-UHFFFAOYSA-N 0 0 351.200 2.797 20 10 FFCDRN Cc1ccc([C@](O)(CC(=O)NCc2c(O)cccc2F)C(F)(F)F)o1 ZINC000928705612 738897814 /nfs/dbraw/zinc/89/78/14/738897814.db2.gz MBSQVHCINWJRNZ-OAHLLOKOSA-N 0 0 361.291 2.889 20 10 FFCDRN COc1ccc(CCS(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000784729511 738915460 /nfs/dbraw/zinc/91/54/60/738915460.db2.gz DJAGKHVVUPIMMG-UHFFFAOYSA-N 0 0 362.495 2.766 20 10 FFCDRN C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cccc(Br)c1[O-] ZINC000787301496 739124432 /nfs/dbraw/zinc/12/44/32/739124432.db2.gz DLFRZVGQEHQZJO-CYBMUJFWSA-N 0 0 369.303 2.840 20 10 FFCDRN COCCN(Cc1scnc1C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000787310673 739126070 /nfs/dbraw/zinc/12/60/70/739126070.db2.gz QOOKCQIGILJOEJ-UHFFFAOYSA-N 0 0 367.427 2.723 20 10 FFCDRN Cc1cc(C(=O)CSc2n[nH]c(CO)n2)c(C)n1-c1cccc(C)c1 ZINC000787487491 739140716 /nfs/dbraw/zinc/14/07/16/739140716.db2.gz VUVZEBHYZGSXCI-UHFFFAOYSA-N 0 0 356.451 2.988 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000787765815 739168460 /nfs/dbraw/zinc/16/84/60/739168460.db2.gz FLUCPTXPGOVYCS-HNNXBMFYSA-N 0 0 366.259 2.823 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC000788938580 739300294 /nfs/dbraw/zinc/30/02/94/739300294.db2.gz SRGMANGKKFOCMU-CQSZACIVSA-N 0 0 357.479 2.842 20 10 FFCDRN CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1c(F)ccc(O)c1O ZINC000789990803 739403365 /nfs/dbraw/zinc/40/33/65/739403365.db2.gz RQJKUZSANKXJIJ-UHFFFAOYSA-N 0 0 350.293 2.984 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2c(C)n(C)c3ccccc32)c1 ZINC000790217206 739426256 /nfs/dbraw/zinc/42/62/56/739426256.db2.gz FKEZLCNRSKOYHB-UHFFFAOYSA-N 0 0 360.435 2.679 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cnn(C)c1Cl ZINC000932414413 739450026 /nfs/dbraw/zinc/45/00/26/739450026.db2.gz DPNDAMXPEOKKSU-UHFFFAOYSA-N 0 0 363.849 2.574 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCS[C@@H](C)C1 ZINC000932678428 739492286 /nfs/dbraw/zinc/49/22/86/739492286.db2.gz NPERENIRSOVGLH-GOEBONIOSA-N 0 0 363.527 2.501 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC000932683385 739493209 /nfs/dbraw/zinc/49/32/09/739493209.db2.gz LWMHMIZTNKNOCU-YVEFUNNKSA-N 0 0 359.476 2.652 20 10 FFCDRN CO[C@@]1(C)CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000792035003 739628179 /nfs/dbraw/zinc/62/81/79/739628179.db2.gz IGJKCYPMPUJPHD-IBGZPJMESA-N 0 0 363.527 2.950 20 10 FFCDRN COc1cc(Br)cc(CN2C[C@H](C)S(=O)[C@@H](C)C2)c1O ZINC000792192778 739649500 /nfs/dbraw/zinc/64/95/00/739649500.db2.gz QGGOCGYXTGOAFG-UWVGGRQHSA-N 0 0 362.289 2.505 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@]2(CCOC2)O1 ZINC000793104423 739739298 /nfs/dbraw/zinc/73/92/98/739739298.db2.gz RIBRRLUUHLMADT-CJNGLKHVSA-N 0 0 371.528 2.605 20 10 FFCDRN Cc1ccccc1NC(=S)NNc1ccccc1S(=O)(=O)N(C)C ZINC000793326582 739768039 /nfs/dbraw/zinc/76/80/39/739768039.db2.gz LPJJKYZGXZZXMN-UHFFFAOYSA-N 0 0 364.496 2.559 20 10 FFCDRN CN1CCN(Cc2cc(Cl)ccc2O)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604946 739798801 /nfs/dbraw/zinc/79/88/01/739798801.db2.gz SVHXSUZWCRHKQI-OAHLLOKOSA-N 0 0 369.893 2.686 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)Cc1ccsc1 ZINC000793789307 739813907 /nfs/dbraw/zinc/81/39/07/739813907.db2.gz JLNVPPMBBJDOKN-CQSZACIVSA-N 0 0 360.479 2.940 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(C)nc2Br)c(O)c1 ZINC000794379483 739884845 /nfs/dbraw/zinc/88/48/45/739884845.db2.gz NUSAVRWRYFUURX-UHFFFAOYSA-N 0 0 351.200 2.797 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(OC)c(OC(F)F)c2)c(O)c1 ZINC000794389125 739885800 /nfs/dbraw/zinc/88/58/00/739885800.db2.gz JBDPWPYRFVOKHN-UHFFFAOYSA-N 0 0 353.321 2.941 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(C(F)(F)F)n1 ZINC000935312347 739930475 /nfs/dbraw/zinc/93/04/75/739930475.db2.gz VTTSFKAGSOQGTF-SNVBAGLBSA-N 0 0 354.328 2.802 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cs1 ZINC000795395148 740015658 /nfs/dbraw/zinc/01/56/58/740015658.db2.gz AESUHOOYMZXWBO-OAHLLOKOSA-N 0 0 357.479 2.688 20 10 FFCDRN C[C@H](NS(=O)(=O)c1ccsc1)c1ccc(N2CCOCC2)cc1 ZINC000795809975 740066910 /nfs/dbraw/zinc/06/69/10/740066910.db2.gz VLVIWDSRYNBPMR-ZDUSSCGKSA-N 0 0 352.481 2.624 20 10 FFCDRN Cc1cccc(S(=O)(=O)NCc2cc(Br)ccc2O)c1 ZINC000796191441 740114232 /nfs/dbraw/zinc/11/42/32/740114232.db2.gz ULDJZNBSBJCSIY-UHFFFAOYSA-N 0 0 356.241 2.942 20 10 FFCDRN C[C@@H](NCc1ncc(CN(C)C)s1)c1ccc(N2CCOCC2)cc1 ZINC000796275894 740123993 /nfs/dbraw/zinc/12/39/93/740123993.db2.gz IHMQRSPGZSESSB-OAHLLOKOSA-N 0 0 360.527 2.892 20 10 FFCDRN CCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1 ZINC000797820328 740276176 /nfs/dbraw/zinc/27/61/76/740276176.db2.gz RPNCGMAVLKDFOC-UHFFFAOYSA-N 0 0 350.396 2.550 20 10 FFCDRN COc1cncc(S(=O)(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000798432297 740331443 /nfs/dbraw/zinc/33/14/43/740331443.db2.gz MQNRLRCHPRYECP-UHFFFAOYSA-N 0 0 361.467 2.559 20 10 FFCDRN CC[C@H](C)N(CC(=O)OC)Cc1cc(Br)cc(OC)c1O ZINC000798954779 740376938 /nfs/dbraw/zinc/37/69/38/740376938.db2.gz CXUMVQJYTSYROS-JTQLQIEISA-N 0 0 360.248 2.937 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)c1cccc(O)c1O)C(C)(C)C ZINC000799090609 740387562 /nfs/dbraw/zinc/38/75/62/740387562.db2.gz MBDQWZAYMFUVTD-CYBMUJFWSA-N 0 0 352.431 2.767 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)OC)c(OC)c1 ZINC000799124058 740389563 /nfs/dbraw/zinc/38/95/63/740389563.db2.gz MHVMQWALADHNPI-UHFFFAOYSA-N 0 0 365.407 2.551 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CNC(=O)C3CC3)cc2Cl)C1 ZINC000800344770 740514531 /nfs/dbraw/zinc/51/45/31/740514531.db2.gz VEKTYPKZCZGYHB-CYBMUJFWSA-N 0 0 363.889 2.719 20 10 FFCDRN COC[C@H]1NC(=O)N(Cc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)C1=O ZINC000804188648 740852903 /nfs/dbraw/zinc/85/29/03/740852903.db2.gz PKNQCRVLPYKFLC-IUODEOHRSA-N 0 0 365.861 2.643 20 10 FFCDRN CC[C@](NC(=O)c1cccc(O)c1O)(C(=O)OC)c1ccc(Cl)cc1 ZINC000804548943 740883466 /nfs/dbraw/zinc/88/34/66/740883466.db2.gz RXULHAZKDSTJGZ-GOSISDBHSA-N 0 0 363.797 2.960 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cnn(-c2cccnc2)c1 ZINC000804736627 740901225 /nfs/dbraw/zinc/90/12/25/740901225.db2.gz WHRIRBPNWKDPQQ-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN CC1(C)CC[C@H](CNC(=O)NCc2cc(Br)ccc2O)O1 ZINC000805315368 740959567 /nfs/dbraw/zinc/95/95/67/740959567.db2.gz RCMLTLSKUOUFMZ-GFCCVEGCSA-N 0 0 357.248 2.912 20 10 FFCDRN C[C@@H]1COCC[C@H]1CNC(=O)NCc1cc(Br)ccc1O ZINC000805821378 741014126 /nfs/dbraw/zinc/01/41/26/741014126.db2.gz JLHGDLJUIYCVNA-MNOVXSKESA-N 0 0 357.248 2.627 20 10 FFCDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)[C@@H](C)C1 ZINC000806191716 741045980 /nfs/dbraw/zinc/04/59/80/741045980.db2.gz NIWBSAKKBRLDEA-FRRDWIJNSA-N 0 0 355.529 2.682 20 10 FFCDRN C[C@@H](C1CC1)N(C(=O)C(=O)NCCCSc1nccs1)C1CC1 ZINC000806282832 741050345 /nfs/dbraw/zinc/05/03/45/741050345.db2.gz VNAXPDUMSUSYIJ-NSHDSACASA-N 0 0 353.513 2.531 20 10 FFCDRN CCC[C@@]1(NC(=O)NCc2ccc(N3CCSCC3)cc2)CCOC1 ZINC000806438689 741059637 /nfs/dbraw/zinc/05/96/37/741059637.db2.gz LFTZVAHNDRXQNA-LJQANCHMSA-N 0 0 363.527 2.998 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@@H]2CCCS2)cc1 ZINC000806920640 741095502 /nfs/dbraw/zinc/09/55/02/741095502.db2.gz XIHFOXAGGGKPQI-KRWDZBQOSA-N 0 0 363.527 2.503 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nccs1 ZINC000807257867 741123412 /nfs/dbraw/zinc/12/34/12/741123412.db2.gz VCTMVWSCPSUFJR-SWLSCSKDSA-N 0 0 360.483 2.654 20 10 FFCDRN COc1ccc(N2CCC(Nc3nccn(C(F)F)c3=O)CC2)cc1 ZINC000807959643 741174486 /nfs/dbraw/zinc/17/44/86/741174486.db2.gz XIDYXULPKRDXPU-UHFFFAOYSA-N 0 0 350.369 2.728 20 10 FFCDRN CC(=O)C(=O)COC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000808515894 741231708 /nfs/dbraw/zinc/23/17/08/741231708.db2.gz QPJTUECKLDHHFE-UHFFFAOYSA-N 0 0 359.325 2.949 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1cc(Br)ccc1Br ZINC000808538378 741233673 /nfs/dbraw/zinc/23/36/73/741233673.db2.gz OZPOGXBTQLEWDF-UHFFFAOYSA-N 0 0 363.989 2.527 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC2(SC)CC2)cc1 ZINC000809293782 741298220 /nfs/dbraw/zinc/29/82/20/741298220.db2.gz RSWGDRCEMMPKHW-UHFFFAOYSA-N 0 0 363.527 2.503 20 10 FFCDRN C[C@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000809696315 741332507 /nfs/dbraw/zinc/33/25/07/741332507.db2.gz HALHDBYQOLNZMP-LRDDRELGSA-N 0 0 362.367 2.814 20 10 FFCDRN O=C(N[C@@H]1CCOC1)OC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000809708819 741334928 /nfs/dbraw/zinc/33/49/28/741334928.db2.gz HZXRSNLOOILSME-HUUCEWRRSA-N 0 0 368.861 2.915 20 10 FFCDRN CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000809778799 741342946 /nfs/dbraw/zinc/34/29/46/741342946.db2.gz WFWWOPWGZLVSDB-LBPRGKRZSA-N 0 0 355.822 2.692 20 10 FFCDRN COC(=O)c1cc(C(C)(C)NCc2cc(Br)ccc2O)no1 ZINC000810166135 741394137 /nfs/dbraw/zinc/39/41/37/741394137.db2.gz MEBWLTZNJLNCGG-UHFFFAOYSA-N 0 0 369.215 2.954 20 10 FFCDRN Cn1cc(C(=O)NCc2cc(Br)ccc2O)c(C2CC2)n1 ZINC000813608648 741739386 /nfs/dbraw/zinc/73/93/86/741739386.db2.gz FIJXTIRBBGQXFI-UHFFFAOYSA-N 0 0 350.216 2.696 20 10 FFCDRN C[C@H]([NH2+]C1COCCOC1)c1cc(Br)cc(Cl)c1[O-] ZINC000813881120 741770504 /nfs/dbraw/zinc/77/05/04/741770504.db2.gz TVYWJWBBFPZPGM-QMMMGPOBSA-N 0 0 350.640 2.874 20 10 FFCDRN O=C1/C(=C/c2cnn(CC(F)F)c2)SC(=S)N1c1cccnc1 ZINC000814182937 741801755 /nfs/dbraw/zinc/80/17/55/741801755.db2.gz AFZBQKDPTYZDRZ-WCIBSUBMSA-N 0 0 352.391 2.949 20 10 FFCDRN O=C1N=C(SC[C@H](O)CO)S/C1=C\c1csc2ccccc12 ZINC000814773260 741863543 /nfs/dbraw/zinc/86/35/43/741863543.db2.gz PPNKDMVRHUTTDF-YNHMVAKQSA-N 0 0 351.474 2.958 20 10 FFCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])[C@@H]1n1cccn1 ZINC000815166771 741908342 /nfs/dbraw/zinc/90/83/42/741908342.db2.gz JYCJAVIWUIVSIQ-KFWWJZLASA-N 0 0 366.259 2.860 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815626882 741948858 /nfs/dbraw/zinc/94/88/58/741948858.db2.gz OCICRVJUMZNTGC-MNOVXSKESA-N 0 0 351.390 2.886 20 10 FFCDRN C[C@H](CO)NC(=O)c1ccc(NCc2cc(Cl)c(F)cc2O)cc1 ZINC000816597695 742045984 /nfs/dbraw/zinc/04/59/84/742045984.db2.gz BSSPVRQCWIYYBN-SNVBAGLBSA-N 0 0 352.793 2.907 20 10 FFCDRN CC[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000817176817 742101808 /nfs/dbraw/zinc/10/18/08/742101808.db2.gz MNNVFDPXGLUTGY-NEPJUHHUSA-N 0 0 357.248 2.912 20 10 FFCDRN CNC(=O)[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 ZINC000817639495 742188789 /nfs/dbraw/zinc/18/87/89/742188789.db2.gz KHAOEZMJSXWLPY-CQSZACIVSA-N 0 0 359.857 2.956 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)CN)c1cc(Br)cc(Br)c1[O-] ZINC000817970174 742224885 /nfs/dbraw/zinc/22/48/85/742224885.db2.gz NERPEDXUMWATHY-NKWVEPMBSA-N 0 0 352.070 2.915 20 10 FFCDRN COC(=O)C1(NC(=O)c2csc(Cc3ccc(N)cc3)n2)CCCC1 ZINC000817911370 742221728 /nfs/dbraw/zinc/22/17/28/742221728.db2.gz KTABKEXCLXIFEP-UHFFFAOYSA-N 0 0 359.451 2.532 20 10 FFCDRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)NCCc1ccc(N)cc1 ZINC000818545304 742278331 /nfs/dbraw/zinc/27/83/31/742278331.db2.gz 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ZINC000821806886 742665013 /nfs/dbraw/zinc/66/50/13/742665013.db2.gz JGTVKCVLVKYOAA-MRVPVSSYSA-N 0 0 355.316 2.576 20 10 FFCDRN CCOC(=O)CN(Cc1c(C)nn(C)c1Cl)Cc1ccccc1O ZINC000822511703 742746953 /nfs/dbraw/zinc/74/69/53/742746953.db2.gz LZFCYVMUMAGYMX-UHFFFAOYSA-N 0 0 351.834 2.653 20 10 FFCDRN CCC[C@H](OC)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000822612556 742759021 /nfs/dbraw/zinc/75/90/21/742759021.db2.gz BCHMJVRUMMMFTK-DEYYWGMASA-N 0 0 352.450 2.871 20 10 FFCDRN CCOC(=O)CN(Cc1csc(C(=O)OC)c1)Cc1ccccc1O ZINC000823576590 742939288 /nfs/dbraw/zinc/93/92/88/742939288.db2.gz TYYRZJDGLGATTO-UHFFFAOYSA-N 0 0 363.435 2.806 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)Cc3nccs3)C2)cc1 ZINC000823725561 742969707 /nfs/dbraw/zinc/96/97/07/742969707.db2.gz DUYVZNFMKATFSU-AWEZNQCLSA-N 0 0 360.483 2.820 20 10 FFCDRN CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C1=CC(=O)CS1 ZINC000824149789 743027498 /nfs/dbraw/zinc/02/74/98/743027498.db2.gz AXJZAVQHRKHWLZ-AWEZNQCLSA-N 0 0 363.435 2.842 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ocnc3C(F)(F)F)C2)cc1 ZINC000824372609 743065515 /nfs/dbraw/zinc/06/55/15/743065515.db2.gz HMDDUFIYVZCUPR-SNVBAGLBSA-N 0 0 355.316 2.711 20 10 FFCDRN O=S1(=O)C[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)c2ccccc21 ZINC000824516194 743098135 /nfs/dbraw/zinc/09/81/35/743098135.db2.gz KIJBMILPOHUSKA-JTQLQIEISA-N 0 0 355.818 2.845 20 10 FFCDRN CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1 ZINC000824739534 743140058 /nfs/dbraw/zinc/14/00/58/743140058.db2.gz ZZEWVOVEMZXWSQ-UHFFFAOYSA-N 0 0 372.849 2.725 20 10 FFCDRN COC(=O)CC[N@H+](Cc1ccc(Br)cc1O)C1CCOCC1 ZINC000824882651 743170100 /nfs/dbraw/zinc/17/01/00/743170100.db2.gz BALPKNDUCCFLQE-UHFFFAOYSA-N 0 0 372.259 2.699 20 10 FFCDRN Cn1nc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1Br ZINC000824982687 743189759 /nfs/dbraw/zinc/18/97/59/743189759.db2.gz JNTITSPDMQXPPE-UHFFFAOYSA-N 0 0 363.259 2.713 20 10 FFCDRN CCN(CC)c1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)cc1F ZINC000825201513 743227158 /nfs/dbraw/zinc/22/71/58/743227158.db2.gz 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Cc1cc(C(=O)CN(C)Cc2nc[nH]n2)c(C)n1-c1ccc(Cl)cn1 ZINC000828015131 745014751 /nfs/dbraw/zinc/01/47/51/745014751.db2.gz BFXARRRJCPVPOW-UHFFFAOYSA-N 0 0 358.833 2.575 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCC(=O)C1CC1 ZINC000828519269 745080263 /nfs/dbraw/zinc/08/02/63/745080263.db2.gz KFJJZZRFFASDLA-UHFFFAOYSA-N 0 0 367.829 2.697 20 10 FFCDRN COC1CCN(c2ccc(CN3CC[S@@](=O)CC3(C)C)cc2)CC1 ZINC000829078252 745163589 /nfs/dbraw/zinc/16/35/89/745163589.db2.gz ZPSPISKUJAPWTD-XMMPIXPASA-N 0 0 350.528 2.645 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CC[S@](=O)C(C)(C)CC2)c([N+](=O)[O-])c1 ZINC000829140677 745171459 /nfs/dbraw/zinc/17/14/59/745171459.db2.gz SDEVPYWSKLPNGL-RSXIBPCNSA-N 0 0 366.439 2.518 20 10 FFCDRN COC(=O)[C@@H](C)N(C)CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000829352593 745196334 /nfs/dbraw/zinc/19/63/34/745196334.db2.gz UIBLPMBRVFDGAE-CYBMUJFWSA-N 0 0 363.845 2.819 20 10 FFCDRN COC1CCC(NC(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000837650835 746492827 /nfs/dbraw/zinc/49/28/27/746492827.db2.gz 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/nfs/dbraw/zinc/36/41/01/747364101.db2.gz QHCCHHARISFYPQ-UHFFFAOYSA-N 0 0 358.479 2.518 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)N1CCCC[C@@H]1C ZINC000841569664 747406453 /nfs/dbraw/zinc/40/64/53/747406453.db2.gz NLWOURQZKQVUHC-HOTGVXAUSA-N 0 0 353.532 2.701 20 10 FFCDRN C[NH2+]CCN(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000843057105 747757772 /nfs/dbraw/zinc/75/77/72/747757772.db2.gz BBWHNWOSNVQSKY-UHFFFAOYSA-N 0 0 352.070 2.568 20 10 FFCDRN CC(C)C(=O)Nc1nc(Cc2nc(Cc3ccc(N)cc3)no2)cs1 ZINC000843162325 747782134 /nfs/dbraw/zinc/78/21/34/747782134.db2.gz WNIMOEIQJUMJGT-UHFFFAOYSA-N 0 0 357.439 2.884 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)ccc1[N+](=O)[O-] ZINC000843432872 747836096 /nfs/dbraw/zinc/83/60/96/747836096.db2.gz LEDUYTZMQSOMSD-QGZVFWFLSA-N 0 0 350.415 2.752 20 10 FFCDRN COCCN(C)C(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843770624 747891855 /nfs/dbraw/zinc/89/18/55/747891855.db2.gz SUFNPMGRJGAKCY-UHFFFAOYSA-N 0 0 366.259 2.970 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cn2ncc(Cl)c(Cl)c2=O)cc1 ZINC000844725514 748084737 /nfs/dbraw/zinc/08/47/37/748084737.db2.gz LEPDTQCVZDJTOO-UHFFFAOYSA-N 0 0 371.268 2.584 20 10 FFCDRN O=C(NCc1cnn(CC(F)(F)F)c1)NCc1cc(Cl)ccc1O ZINC000845061416 748171636 /nfs/dbraw/zinc/17/16/36/748171636.db2.gz UFODQLCTMNCPDE-UHFFFAOYSA-N 0 0 362.739 2.804 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F ZINC000845931278 748355431 /nfs/dbraw/zinc/35/54/31/748355431.db2.gz QSQUVGMKEFSHDG-RAIGVLPGSA-N 0 0 361.360 2.893 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000845988001 748376148 /nfs/dbraw/zinc/37/61/48/748376148.db2.gz PDKCLEJHCBSKHT-UHFFFAOYSA-N 0 0 352.431 2.591 20 10 FFCDRN COCCc1ccc(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1 ZINC000845997874 748379183 /nfs/dbraw/zinc/37/91/83/748379183.db2.gz ICSSWFRHYPFYPQ-UHFFFAOYSA-N 0 0 355.843 2.713 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C(=O)Nc2cscc2C)cc1 ZINC000846098552 748406823 /nfs/dbraw/zinc/40/68/23/748406823.db2.gz 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Cc1cc(N(C)C)ccc1CNC(=O)NCc1cc(C(F)(F)F)n(C)n1 ZINC000893052449 970540733 /nfs/dbraw/zinc/54/07/33/970540733.db2.gz DXOVMAYYCWHEJB-UHFFFAOYSA-N 0 0 369.391 2.813 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NC3CC4(C3)CO[C@H](C)C4)C2)cc1 ZINC000895434854 970605374 /nfs/dbraw/zinc/60/53/74/970605374.db2.gz DMYPKLGIPDAVBG-WJFXLHASSA-N 0 0 373.497 2.778 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NC[C@H]3CC[C@H](C4CC4)O3)C2)cc1 ZINC000895435626 970612847 /nfs/dbraw/zinc/61/28/47/970612847.db2.gz JSAKBYIMYUNLKY-CDHQVMDDSA-N 0 0 373.497 2.778 20 10 FFCDRN O=C(NCCOc1cccc(C(F)(F)F)n1)N1Cc2cccc(O)c2C1 ZINC000875429766 1014027017 /nfs/dbraw/zinc/02/70/17/1014027017.db2.gz WFASZCKGULECES-UHFFFAOYSA-N 0 0 367.327 2.910 20 10 FFCDRN O=C(NCc1ccncc1OCC(F)(F)F)N1Cc2cccc(O)c2C1 ZINC000875556394 1014044942 /nfs/dbraw/zinc/04/49/42/1014044942.db2.gz HNUFCNACSCIUTE-UHFFFAOYSA-N 0 0 367.327 2.954 20 10 FFCDRN CCOC(=O)C1(CC(=O)Nc2c3nonc3ccc2Cl)CCOCC1 ZINC001271356676 972597214 /nfs/dbraw/zinc/59/72/14/972597214.db2.gz PKADEWBKJNJBGP-UHFFFAOYSA-N 0 0 367.789 2.565 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2cccc(=O)[nH]2)CCCC1 ZINC000651643164 972933569 /nfs/dbraw/zinc/93/35/69/972933569.db2.gz UJZJYUYMPLSNKH-UHFFFAOYSA-N 0 0 365.433 2.946 20 10 FFCDRN COC(=O)C1=CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000875806080 1014079217 /nfs/dbraw/zinc/07/92/17/1014079217.db2.gz WAFXSHNISDTJGI-INIZCTEOSA-N 0 0 357.454 2.688 20 10 FFCDRN O=C(Nc1ncccn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000888684879 1014091379 /nfs/dbraw/zinc/09/13/79/1014091379.db2.gz GGRBVUQKORJKII-GFCCVEGCSA-N 0 0 363.368 2.869 20 10 FFCDRN Cc1ccnc(N2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)CC2)c1 ZINC000897021605 973168228 /nfs/dbraw/zinc/16/82/28/973168228.db2.gz CVQMNWLUCILKIP-UHFFFAOYSA-N 0 0 369.446 2.978 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](c2ccc(OC)nc2)C2CC2)c(O)c1 ZINC000875933874 1014097291 /nfs/dbraw/zinc/09/72/91/1014097291.db2.gz UBFCPKZVXJSVLU-SFHVURJKSA-N 0 0 357.410 2.755 20 10 FFCDRN O=C(/C=C/c1cnccn1)N(CCN1CCOCC1)c1ccccc1Cl ZINC000875938064 1014097768 /nfs/dbraw/zinc/09/77/68/1014097768.db2.gz COTIHSQYPABOSF-AATRIKPKSA-N 0 0 372.856 2.509 20 10 FFCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cc(F)c(F)c(F)c3F)no2)cc1O ZINC001211665360 974034472 /nfs/dbraw/zinc/03/44/72/974034472.db2.gz PRIHQQOCZXYJPW-LLVKDONJSA-N 0 0 370.258 2.980 20 10 FFCDRN Cc1nc2cc(F)cc(C(=O)NCCc3ccc(O)c(O)c3)c2nc1C ZINC000179094797 974156831 /nfs/dbraw/zinc/15/68/31/974156831.db2.gz WKKYUDXMFIVONN-UHFFFAOYSA-N 0 0 355.369 2.769 20 10 FFCDRN C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC000976857420 974474508 /nfs/dbraw/zinc/47/45/08/974474508.db2.gz ADOVXEHWXAECLF-RAEVTNRLSA-N 0 0 371.441 2.662 20 10 FFCDRN O=C(N[C@@H]1CCCn2nccc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000876302755 1014221457 /nfs/dbraw/zinc/22/14/57/1014221457.db2.gz FHKXAZVDLISKGK-IAGOWNOFSA-N 0 0 370.453 2.814 20 10 FFCDRN COc1ccc2c(c1)c1c(n2Cc2nc(Cn3cncn3)no2)CCCC1 ZINC000351432895 975886674 /nfs/dbraw/zinc/88/66/74/975886674.db2.gz PCUMFABEMUUHPX-UHFFFAOYSA-N 0 0 364.409 2.600 20 10 FFCDRN CCC(CC)C(=O)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876582880 1014311134 /nfs/dbraw/zinc/31/11/34/1014311134.db2.gz CZEOIJFLQORKMC-UHFFFAOYSA-N 0 0 373.541 2.728 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NC[C@@]1(c2cnn(C)c2)CCCO1 ZINC000898663154 976601017 /nfs/dbraw/zinc/60/10/17/976601017.db2.gz BEWNIWSJEBGQDE-HXUWFJFHSA-N 0 0 372.469 2.753 20 10 FFCDRN CC(C)NC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000163087444 976781818 /nfs/dbraw/zinc/78/18/18/976781818.db2.gz AQQGGFBCTHGVNX-UHFFFAOYSA-N 0 0 357.429 2.960 20 10 FFCDRN CC[C@@H]1C[N@H+](Cc2ccc(N3CCC(O)CC3)cc2)CCN1CC(F)F ZINC000876779037 1014390203 /nfs/dbraw/zinc/39/02/03/1014390203.db2.gz USZJAZDTABYEQD-QGZVFWFLSA-N 0 0 367.484 2.809 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000728937500 977647841 /nfs/dbraw/zinc/64/78/41/977647841.db2.gz COHPEQQTAYELHY-OCCSQVGLSA-N 0 0 358.394 2.601 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(C(=O)N(C)C)c2)c1 ZINC000728937955 977654399 /nfs/dbraw/zinc/65/43/99/977654399.db2.gz KECCWXHAYVJHEG-GFCCVEGCSA-N 0 0 357.410 2.985 20 10 FFCDRN C[C@@](CC(=O)[O-])([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)c1ccncc1 ZINC001592327445 977740673 /nfs/dbraw/zinc/74/06/73/977740673.db2.gz BBVLLIKYQKVGNC-NRFANRHFSA-N 0 0 369.465 2.522 20 10 FFCDRN CCCn1nccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000047391759 978060469 /nfs/dbraw/zinc/06/04/69/978060469.db2.gz OQCKUFYXQJCLKP-UHFFFAOYSA-N 0 0 371.485 2.824 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)CCc2ccc(C)cc2)c1 ZINC000728978431 978137926 /nfs/dbraw/zinc/13/79/26/978137926.db2.gz HHZNMCXQKMVJBO-OAHLLOKOSA-N 0 0 370.449 2.635 20 10 FFCDRN COc1ccc2c(c1)OC[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)C2 ZINC000728979507 978138096 /nfs/dbraw/zinc/13/80/96/978138096.db2.gz WWXFIPABGWIZHZ-TZMCWYRMSA-N 0 0 357.406 2.838 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000728980950 978146812 /nfs/dbraw/zinc/14/68/12/978146812.db2.gz QOSXISIMXZKMDA-GFCCVEGCSA-N 0 0 367.405 2.860 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 ZINC000728984243 978146959 /nfs/dbraw/zinc/14/69/59/978146959.db2.gz OLHZRZKIQSBGES-CYBMUJFWSA-N 0 0 367.405 2.761 20 10 FFCDRN CC(C)[C@H](C(=O)N(C)c1ccc(N)cc1)n1nnc(-c2ccccc2)n1 ZINC000877078442 1014469317 /nfs/dbraw/zinc/46/93/17/1014469317.db2.gz PVLZUBLDWDKCBJ-QGZVFWFLSA-N 0 0 350.426 2.782 20 10 FFCDRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877076665 1014469324 /nfs/dbraw/zinc/46/93/24/1014469324.db2.gz SKODIBSHWHHIMI-SFHVURJKSA-N 0 0 353.422 2.545 20 10 FFCDRN CN(C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccc(N)cc1 ZINC000877080692 1014470597 /nfs/dbraw/zinc/47/05/97/1014470597.db2.gz MTNCMWXAZKWCNW-INIZCTEOSA-N 0 0 369.440 2.852 20 10 FFCDRN C[C@H](CCNC(=O)NCc1ccccc1O)N(C)C(=O)OC(C)(C)C ZINC001116048410 1032092538 /nfs/dbraw/zinc/09/25/38/1032092538.db2.gz MSUQIHPSSPLZBA-CYBMUJFWSA-N 0 0 351.447 2.837 20 10 FFCDRN CCNC(=O)C(C)(C)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000126425845 1014523934 /nfs/dbraw/zinc/52/39/34/1014523934.db2.gz RQILFWPOEHQDQS-UHFFFAOYSA-N 0 0 374.529 2.884 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccn1 ZINC000026186308 979118612 /nfs/dbraw/zinc/11/86/12/979118612.db2.gz KMMWSYQSSLBUIW-MRXNPFEDSA-N 0 0 354.454 2.821 20 10 FFCDRN CC(=O)NC1(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)CCCCC1 ZINC000109190851 979672242 /nfs/dbraw/zinc/67/22/42/979672242.db2.gz GHWWROHUDDTPGR-MRXNPFEDSA-N 0 0 373.497 2.539 20 10 FFCDRN C[C@H]([NH2+][C@@H]1C[C@H](NC(=O)[O-])C12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000904213241 980219635 /nfs/dbraw/zinc/21/96/35/980219635.db2.gz HFZGFIVPMIJOSD-QGTPRVQTSA-N 0 0 359.470 2.753 20 10 FFCDRN CC(C)n1cc(C(C)(C)NCc2ccc(N3CCC(O)CC3)cc2)nn1 ZINC000877598078 1014640304 /nfs/dbraw/zinc/64/03/04/1014640304.db2.gz HQAJPECNVQNTHH-UHFFFAOYSA-N 0 0 357.502 2.845 20 10 FFCDRN CCn1cc(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)cn1 ZINC000780397042 980385521 /nfs/dbraw/zinc/38/55/21/980385521.db2.gz HOLAHJFBCPBBOF-HUUCEWRRSA-N 0 0 374.460 2.515 20 10 FFCDRN COc1ccc(N2CCN(Cc3cnc(C4CC4)nc3)CC2)c(OC)c1 ZINC000877708227 1014692767 /nfs/dbraw/zinc/69/27/67/1014692767.db2.gz FMGRHFCJRQBQAL-UHFFFAOYSA-N 0 0 354.454 2.693 20 10 FFCDRN COc1ccc(N2CCCN(CC(=O)Nc3ccc(Cl)cn3)CC2)cc1 ZINC000053773850 981283371 /nfs/dbraw/zinc/28/33/71/981283371.db2.gz ZPPVMMJGDGWVKJ-UHFFFAOYSA-N 0 0 374.872 2.894 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@H]1C[C@H](C)CO1 ZINC000907763740 981287365 /nfs/dbraw/zinc/28/73/65/981287365.db2.gz OXULYVIACYWYCF-IFXJQAMLSA-N 0 0 362.470 2.800 20 10 FFCDRN CCN(CC)c1ccc(CN(C)c2nnc(-c3cccnn3)n2C)cc1 ZINC000908560497 981466935 /nfs/dbraw/zinc/46/69/35/981466935.db2.gz MJOJNMNEURRHTF-UHFFFAOYSA-N 0 0 351.458 2.755 20 10 FFCDRN CN(c1cccc(OC(F)F)c1)S(=O)(=O)CCc1ccc(N)cc1 ZINC001212062904 981485970 /nfs/dbraw/zinc/48/59/70/981485970.db2.gz YHSTXTFVQKXCKG-UHFFFAOYSA-N 0 0 356.394 2.879 20 10 FFCDRN CC[C@H](C)C(=O)N1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC000988679911 981532278 /nfs/dbraw/zinc/53/22/78/981532278.db2.gz LOLVSPFLAWZBQD-ZOWXZIJZSA-N 0 0 359.430 2.614 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1ccc2[nH]c(CO)nc2c1 ZINC000910557628 981996631 /nfs/dbraw/zinc/99/66/31/981996631.db2.gz IKTNQSMQHUGSQF-CQSZACIVSA-N 0 0 366.465 2.791 20 10 FFCDRN CCn1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C1CC1 ZINC000877990890 1014799383 /nfs/dbraw/zinc/79/93/83/1014799383.db2.gz BGHUZRCUGYEQHC-UHFFFAOYSA-N 0 0 368.481 2.889 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NCc1ccc(O)cc1O ZINC000910944970 982107231 /nfs/dbraw/zinc/10/72/31/982107231.db2.gz QMCKQLOPLNJKMI-OAHLLOKOSA-N 0 0 364.442 2.750 20 10 FFCDRN C[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1c(F)cncc1F ZINC000796625950 1014817929 /nfs/dbraw/zinc/81/79/29/1014817929.db2.gz LWRYHVZTHAHLLT-ZDUSSCGKSA-N 0 0 362.424 2.735 20 10 FFCDRN Cc1ncc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)o1 ZINC000878071668 1014845603 /nfs/dbraw/zinc/84/56/03/1014845603.db2.gz QKGJEUMOUMUKQZ-GOSISDBHSA-N 0 0 357.454 2.799 20 10 FFCDRN Cn1cc([C@@H]2C[C@H](NC(=O)c3cc4cc(O)c(O)cc4s3)CCO2)cn1 ZINC000897848372 982535475 /nfs/dbraw/zinc/53/54/75/982535475.db2.gz KGOJIKUHSGDPMP-DOMZBBRYSA-N 0 0 373.434 2.696 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)Cc3cccnc3)CC2)cc1F ZINC000898332261 982682023 /nfs/dbraw/zinc/68/20/23/982682023.db2.gz IAAILQXJMGGAIS-HNNXBMFYSA-N 0 0 372.444 2.692 20 10 FFCDRN C[C@@H](NC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1O ZINC000878129675 1014873462 /nfs/dbraw/zinc/87/34/62/1014873462.db2.gz MZLMRDMTNIACHG-CQSZACIVSA-N 0 0 369.421 2.747 20 10 FFCDRN Cc1cccnc1NC(=O)CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000878241567 1014940953 /nfs/dbraw/zinc/94/09/53/1014940953.db2.gz WQYFWUCYEFVSTG-KRWDZBQOSA-N 0 0 355.438 2.715 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)c(C)n1-c1ccccc1C ZINC000796451649 1014965621 /nfs/dbraw/zinc/96/56/21/1014965621.db2.gz RHBFNNXVZRKVMM-MSOLQXFVSA-N 0 0 356.466 2.777 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2ccnn2C)CCCC1 ZINC000651082261 1014976020 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FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1C(C)(C)C ZINC000055524465 984355281 /nfs/dbraw/zinc/35/52/81/984355281.db2.gz WSTALEDNFOTJSR-UHFFFAOYSA-N 0 0 374.460 2.852 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC000764238318 984387343 /nfs/dbraw/zinc/38/73/43/984387343.db2.gz TXGVEABYWUBXKI-UHFFFAOYSA-N 0 0 373.478 2.713 20 10 FFCDRN Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1c(C)oc(-n2cccc2)c1C#N ZINC000056219447 984424820 /nfs/dbraw/zinc/42/48/20/984424820.db2.gz GFPRFAUVHHGDAW-UHFFFAOYSA-N 0 0 369.337 2.521 20 10 FFCDRN CCOC(=O)C1(C[NH2+]Cc2c3cc(F)ccc3n(C)c2C(=O)[O-])CCC1 ZINC001596555518 984427284 /nfs/dbraw/zinc/42/72/84/984427284.db2.gz PLNVUYLSBAOHGD-UHFFFAOYSA-N 0 0 362.401 2.839 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](NC(=O)NC2CC2)C1 ZINC000760745075 984458227 /nfs/dbraw/zinc/45/82/27/984458227.db2.gz OTZKYQPIHCALPS-HNNXBMFYSA-N 0 0 372.494 2.832 20 10 FFCDRN Cc1cc(C(=O)CN2CCN3C(=O)OCC[C@H]3C2)c(C)n1-c1ccccc1 ZINC000764440281 984497650 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COCCOc1ccc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cn1 ZINC000058515057 984611867 /nfs/dbraw/zinc/61/18/67/984611867.db2.gz WSVSEBJDKHGPFG-UHFFFAOYSA-N 0 0 362.405 2.634 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCc1ccn(C)n1 ZINC000761013487 984640231 /nfs/dbraw/zinc/64/02/31/984640231.db2.gz QQICBUBPPUDNFW-UHFFFAOYSA-N 0 0 355.486 2.795 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000764955032 984860358 /nfs/dbraw/zinc/86/03/58/984860358.db2.gz AHTJXKWOUFUBSL-NRFANRHFSA-N 0 0 368.477 2.774 20 10 FFCDRN COc1ccc(N2CCC(N3C(=O)[C@H](C)N(C4CCC4)C3=O)CC2)cc1 ZINC000761224123 984938676 /nfs/dbraw/zinc/93/86/76/984938676.db2.gz TZGBKFQVPMADNH-AWEZNQCLSA-N 0 0 357.454 2.869 20 10 FFCDRN CCOc1nccc(C)c1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000765240298 985000340 /nfs/dbraw/zinc/00/03/40/985000340.db2.gz CLMGLJKPSYKQTJ-UHFFFAOYSA-N 0 0 355.438 2.555 20 10 FFCDRN COC(=O)c1cc(C)c(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)o1 ZINC000888316378 985172270 /nfs/dbraw/zinc/17/22/70/985172270.db2.gz 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COc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)c(C(F)(F)F)n1 ZINC000801720222 1019294090 /nfs/dbraw/zinc/29/40/90/1019294090.db2.gz ROBJUCLDYLVNHF-UHFFFAOYSA-N 0 0 371.315 2.884 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCCn3nc(C)cc3C)CC2)cc1 ZINC000929249593 1019334659 /nfs/dbraw/zinc/33/46/59/1019334659.db2.gz GJKFKNOJFRABJK-UHFFFAOYSA-N 0 0 356.470 2.638 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(=O)[nH]c4c3CCCC4)CC2)cc1 ZINC000929249569 1019335443 /nfs/dbraw/zinc/33/54/43/1019335443.db2.gz JTJSZNQMZVEMGM-UHFFFAOYSA-N 0 0 367.449 2.637 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@]12CCO[C@H]1CCCC2 ZINC000929537788 1019492169 /nfs/dbraw/zinc/49/21/69/1019492169.db2.gz UFUPGQIRJDAYFR-FPOVZHCZSA-N 0 0 358.482 2.831 20 10 FFCDRN Cc1cc(CCNC(=O)N2CC[C@@](F)(CO)C2)c(C)n1-c1ccccc1 ZINC000801969856 1019561124 /nfs/dbraw/zinc/56/11/24/1019561124.db2.gz OCVYMEDEPYBNCL-FQEVSTJZSA-N 0 0 359.445 2.753 20 10 FFCDRN Cc1cc(C(=O)CN2CCOCC23CC3)c(C)n1-c1ccc2c(c1)OCO2 ZINC000801981296 1019574616 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COc1cc(CO)ccc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000900386978 1020397968 /nfs/dbraw/zinc/39/79/68/1020397968.db2.gz MXXUOVKJHGQYOI-HNNXBMFYSA-N 0 0 370.449 2.515 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)c3c[nH]c(C(N)=O)c3)cc2Cl)C1 ZINC000800571168 1020404740 /nfs/dbraw/zinc/40/47/40/1020404740.db2.gz GJEAIDCMFKTUPP-GFCCVEGCSA-N 0 0 374.872 2.933 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C1CCCCCC1)cc2=O ZINC000726211346 1020434952 /nfs/dbraw/zinc/43/49/52/1020434952.db2.gz CWVFYZMCYIKWEB-UHFFFAOYSA-N 0 0 361.398 2.625 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCC(=O)Nc1ccncc1 ZINC000726535449 1020481674 /nfs/dbraw/zinc/48/16/74/1020481674.db2.gz OVPGKHXEQFWZPL-UHFFFAOYSA-N 0 0 368.462 2.731 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)[C@H](C)c3c(C)nn(C)c3C)CC2)cc1 ZINC000726561879 1020485180 /nfs/dbraw/zinc/48/51/80/1020485180.db2.gz XBYHELDUHOMMFD-CQSZACIVSA-N 0 0 370.497 2.934 20 10 FFCDRN CCS(=O)(=O)N1CCN(Cc2cc3oc4ccccc4c3cc2O)CC1 ZINC000726963970 1020559456 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CCOc1ccc(-n2c(C)cc(C(=O)CN(CC)CC(=O)NC)c2C)cc1 ZINC000749843232 1021053811 /nfs/dbraw/zinc/05/38/11/1021053811.db2.gz AJHIGKOCMNFWJT-UHFFFAOYSA-N 0 0 371.481 2.743 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cc3nsnc3c([N+](=O)[O-])c2)cc1 ZINC000778228026 1021157094 /nfs/dbraw/zinc/15/70/94/1021157094.db2.gz MNMGIOAUXRTGJW-UHFFFAOYSA-N 0 0 371.422 2.938 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ncoc3[C@@H]3CCCO3)CC2)cc1 ZINC001116350858 1021175101 /nfs/dbraw/zinc/17/51/01/1021175101.db2.gz PHAGBZBFVSGKLB-KRWDZBQOSA-N 0 0 371.437 2.887 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cnn4ccccc34)CC2)cc1 ZINC001116419965 1021207752 /nfs/dbraw/zinc/20/77/52/1021207752.db2.gz XPSVYMZFBSBZGC-UHFFFAOYSA-N 0 0 350.422 2.695 20 10 FFCDRN CC(F)(F)c1cccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000187497820 1021290072 /nfs/dbraw/zinc/29/00/72/1021290072.db2.gz MGBLJVQSLJSSEY-UHFFFAOYSA-N 0 0 364.348 2.507 20 10 FFCDRN C[C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccc(N(C)C)cc1 ZINC001116642315 1021326230 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ZINC000743543572 1050096212 /nfs/dbraw/zinc/09/62/12/1050096212.db2.gz SPKVYXAHRTZADL-UHFFFAOYSA-N 0 0 359.430 2.603 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@@H](O)C(C)(C)C2)CCCC1 ZINC001297419674 1050160872 /nfs/dbraw/zinc/16/08/72/1050160872.db2.gz BEWYWNDVXTUKHZ-LJQANCHMSA-N 0 0 356.466 2.758 20 10 FFCDRN COc1ccccc1[C@@H](O)C(=O)NCc1cccc(Br)c1O ZINC001297440478 1050168434 /nfs/dbraw/zinc/16/84/34/1050168434.db2.gz NDCLGLLCWGCNMA-OAHLLOKOSA-N 0 0 366.211 2.513 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC001339846587 1050267129 /nfs/dbraw/zinc/26/71/29/1050267129.db2.gz OMGRNPVZAOKMKY-KSSFIOAISA-N 0 0 362.857 2.563 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2c(c1)NCC2 ZINC001341657919 1050282877 /nfs/dbraw/zinc/28/28/77/1050282877.db2.gz CGFPBLMNWLKTRI-UHFFFAOYSA-N 0 0 365.477 2.793 20 10 FFCDRN Cc1cc(C(=O)COC(=O)CO[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC001339893986 1050310575 /nfs/dbraw/zinc/31/05/75/1050310575.db2.gz WZFMXHXBXAPTTH-GOSISDBHSA-N 0 0 371.433 2.934 20 10 FFCDRN CCC[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001341769954 1050385541 /nfs/dbraw/zinc/38/55/41/1050385541.db2.gz PFTCVBBHDPEWMI-GOSISDBHSA-N 0 0 354.450 2.878 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2CCC2)n1C[C@]1(O)CCSC1 ZINC001298363275 1050424256 /nfs/dbraw/zinc/42/42/56/1050424256.db2.gz BJKCUGXAEKWJPE-LJQANCHMSA-N 0 0 374.510 2.756 20 10 FFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)C1=C[S@](=O)CCC1 ZINC001298829212 1050541300 /nfs/dbraw/zinc/54/13/00/1050541300.db2.gz BWFFZYBUGOEDSX-RUZDIDTESA-N 0 0 352.419 2.761 20 10 FFCDRN Cc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)ncc1[N+](=O)[O-] ZINC000746389551 1050679897 /nfs/dbraw/zinc/67/98/97/1050679897.db2.gz LWMYWACFJYPFSM-OAHLLOKOSA-N 0 0 369.425 2.612 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@H]2CCSC(C)(C)C2)cc1 ZINC001342215429 1050805293 /nfs/dbraw/zinc/80/52/93/1050805293.db2.gz RPIGMVJFQKYJAR-HNNXBMFYSA-N 0 0 363.527 2.501 20 10 FFCDRN C[C@H](NC(=O)NCCC(=O)N1CCC[C@H](C)C1)c1ccc(N(C)C)cc1 ZINC001340557540 1050945390 /nfs/dbraw/zinc/94/53/90/1050945390.db2.gz CMYJERCDCDFLRD-HOTGVXAUSA-N 0 0 360.502 2.761 20 10 FFCDRN Cc1cc(C(=O)NCCN2CCNC2=O)c(C)n1-c1cccc(C(C)C)c1 ZINC001303720179 1051435078 /nfs/dbraw/zinc/43/50/78/1051435078.db2.gz AQLOHEIVXLRXCG-UHFFFAOYSA-N 0 0 368.481 2.973 20 10 FFCDRN Cc1cccc(C)c1NC(=O)CN(C)c1nnc(C2SC=CC2=O)n1C ZINC001341281994 1051640369 /nfs/dbraw/zinc/64/03/69/1051640369.db2.gz ZNBKKPNPMXLWMF-UHFFFAOYSA-N 0 0 371.466 2.941 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001343153543 1051776362 /nfs/dbraw/zinc/77/63/62/1051776362.db2.gz LTSOTTKXVHTOHP-ZDUSSCGKSA-N 0 0 366.487 2.610 20 10 FFCDRN COc1ccc(Br)cc1CNC(=O)c1c(F)ccc(O)c1O ZINC001306709662 1052172731 /nfs/dbraw/zinc/17/27/31/1052172731.db2.gz FQCXJMRASNTVBX-UHFFFAOYSA-N 0 0 370.174 2.938 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)/C=C/c2cccc(O)c2)cc1 ZINC000753465727 1052366441 /nfs/dbraw/zinc/36/64/41/1052366441.db2.gz XGPSIHUSHYGOIP-FMIVXFBMSA-N 0 0 368.433 2.673 20 10 FFCDRN CCOC(=O)c1cc2n(n1)C[C@H](C)N(Cc1ccc(N(C)CC)cc1)C2 ZINC001308087810 1052403622 /nfs/dbraw/zinc/40/36/22/1052403622.db2.gz FYKGYEJUOHXTAP-HNNXBMFYSA-N 0 0 356.470 2.920 20 10 FFCDRN CN(C)C(=O)CCN1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001308243563 1052436025 /nfs/dbraw/zinc/43/60/25/1052436025.db2.gz FJJHOJVKUQJODU-UHFFFAOYSA-N 0 0 374.312 2.731 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](C)CN2CCOCC2)c1 ZINC001308287156 1052441167 /nfs/dbraw/zinc/44/11/67/1052441167.db2.gz ZXLDOHZRVLJHQI-ZDUSSCGKSA-N 0 0 357.292 2.521 20 10 FFCDRN CN(C)c1n[nH]c(CNCc2ccc3c(c2)CCN3Cc2ccccc2)n1 ZINC001308558422 1052469643 /nfs/dbraw/zinc/46/96/43/1052469643.db2.gz OXQBLENNCDPYGE-UHFFFAOYSA-N 0 0 362.481 2.723 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)ccc1[N+](=O)[O-] ZINC001308766302 1052496923 /nfs/dbraw/zinc/49/69/23/1052496923.db2.gz SVFDEHCVIMCGNK-CZUORRHYSA-N 0 0 359.382 2.714 20 10 FFCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1ccc(S(N)(=O)=O)o1 ZINC001308828195 1052504896 /nfs/dbraw/zinc/50/48/96/1052504896.db2.gz ZJYVAUJXCRNCGL-AWEZNQCLSA-N 0 0 364.467 2.771 20 10 FFCDRN CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2ccc(Cl)cc2[O-])CC1 ZINC001308903425 1052515710 /nfs/dbraw/zinc/51/57/10/1052515710.db2.gz BPJYKHFFMVCBNM-UHFFFAOYSA-N 0 0 354.878 2.941 20 10 FFCDRN CCC[C@@H](NCc1c2cc(F)ccc2n(C)c1C(=O)OC)C(=O)OC ZINC001308957385 1052527143 /nfs/dbraw/zinc/52/71/43/1052527143.db2.gz UTNRSQBROASQCJ-CQSZACIVSA-N 0 0 350.390 2.535 20 10 FFCDRN O=C1c2cccnc2SC1c1nnc(N2CCCC2)n1C[C@H]1CCOC1 ZINC001343998677 1052537559 /nfs/dbraw/zinc/53/75/59/1052537559.db2.gz UCOZEGZOUKKIJW-GFCCVEGCSA-N 0 0 371.466 2.897 20 10 FFCDRN CCOc1ccc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC001345629178 1052545779 /nfs/dbraw/zinc/54/57/79/1052545779.db2.gz NLTZRAYIBOJEEJ-HNNXBMFYSA-N 0 0 355.438 2.745 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCC(F)CC2)n1C[C@@H]1CCOC1 ZINC001344228452 1052644107 /nfs/dbraw/zinc/64/41/07/1052644107.db2.gz MWJYVBJGHCUWOC-NSHDSACASA-N 0 0 352.435 2.687 20 10 FFCDRN CCn1ccc(Nc2nnc(C3SC=CC3=O)n2C[C@H]2CCOC2)n1 ZINC001344467814 1052785310 /nfs/dbraw/zinc/78/53/10/1052785310.db2.gz CGXWRRPSOUMFHP-LLVKDONJSA-N 0 0 360.443 2.709 20 10 FFCDRN Cn1ccc(Nc2nnc(C3SC=CC3=O)n2C[C@@H]2CCCCO2)n1 ZINC001344547220 1052829337 /nfs/dbraw/zinc/82/93/37/1052829337.db2.gz UAGFYYYAWKYNKL-NSHDSACASA-N 0 0 360.443 2.758 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2c[nH]cn2)n1C[C@@H]1CCCCO1 ZINC001344595115 1052852007 /nfs/dbraw/zinc/85/20/07/1052852007.db2.gz DTHQTJOJZYEDBX-HNNXBMFYSA-N 0 0 368.441 2.579 20 10 FFCDRN COc1cc(CCO)ccc1NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001347168751 1053684208 /nfs/dbraw/zinc/68/42/08/1053684208.db2.gz CIDSYEVNLDNXSI-UHFFFAOYSA-N 0 0 373.472 2.733 20 10 FFCDRN CCc1ncoc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC001336404526 1053973056 /nfs/dbraw/zinc/97/30/56/1053973056.db2.gz GLJVFADYIDUSTO-AWEZNQCLSA-N 0 0 363.845 2.990 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(C)cn2)cc1 ZINC001336474011 1054013897 /nfs/dbraw/zinc/01/38/97/1054013897.db2.gz SYAUJQTYKSAKDU-UHFFFAOYSA-N 0 0 354.454 2.833 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3(C(C)(F)F)CC3)CC2)c(OC)c1 ZINC001336679876 1054133990 /nfs/dbraw/zinc/13/39/90/1054133990.db2.gz XJECBAUHEMGLNS-UHFFFAOYSA-N 0 0 354.397 2.788 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Nc3ccc(CO)cc3)CC2)cc1 ZINC001347806160 1054338429 /nfs/dbraw/zinc/33/84/29/1054338429.db2.gz YLHMUKIAHRRKEU-UHFFFAOYSA-N 0 0 355.438 2.932 20 10 FFCDRN Nc1ccc(CNC(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC001337078729 1054463125 /nfs/dbraw/zinc/46/31/25/1054463125.db2.gz OTWFIDMRALEVAJ-QGZVFWFLSA-N 0 0 371.416 2.514 20 10 FFCDRN CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2O)cn1 ZINC001337248372 1054592515 /nfs/dbraw/zinc/59/25/15/1054592515.db2.gz JWIBUMVGPARGTQ-UHFFFAOYSA-N 0 0 361.829 2.993 20 10 FFCDRN COCC1CN(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC001348516025 1054755949 /nfs/dbraw/zinc/75/59/49/1054755949.db2.gz BKULBKQBOKGWEX-UHFFFAOYSA-N 0 0 369.412 2.545 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnoc3C3CC3)CC2)c(OC)c1 ZINC001348740511 1054892915 /nfs/dbraw/zinc/89/29/15/1054892915.db2.gz CWILFUDAEJXKOH-UHFFFAOYSA-N 0 0 357.410 2.532 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@]4(CCOC4=O)C3)ccc21 ZINC001337668826 1054933621 /nfs/dbraw/zinc/93/36/21/1054933621.db2.gz SGXBPVZPZKEVNK-NRFANRHFSA-N 0 0 370.449 2.684 20 10 FFCDRN CCn1nc(C(C)C)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001337754496 1054993629 /nfs/dbraw/zinc/99/36/29/1054993629.db2.gz VOLNHTCDDSSHOC-UHFFFAOYSA-N 0 0 356.470 2.793 20 10 FFCDRN CC(C)[C@H](CNC(=O)N1Cc2cccc(O)c2C1)NC(=O)OC(C)(C)C ZINC001349330039 1055193796 /nfs/dbraw/zinc/19/37/96/1055193796.db2.gz FFVZSQVZDKTWRT-HNNXBMFYSA-N 0 0 363.458 2.967 20 10 FFCDRN Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001356267736 1055426468 /nfs/dbraw/zinc/42/64/68/1055426468.db2.gz RYKPPLXZWOQLPU-UHFFFAOYSA-N 0 0 371.441 2.749 20 10 FFCDRN COC(=O)Cc1ccccc1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000847301585 1055426749 /nfs/dbraw/zinc/42/67/49/1055426749.db2.gz AHJSBMCQCFBRHS-UHFFFAOYSA-N 0 0 373.428 2.607 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)Nc1ccnn1C[C@H]1CCOC1 ZINC001338342740 1055435289 /nfs/dbraw/zinc/43/52/89/1055435289.db2.gz YODUHFJUIWOQCF-QGZVFWFLSA-N 0 0 369.469 2.842 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](CO)[C@H](CCO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001349753092 1055449591 /nfs/dbraw/zinc/44/95/91/1055449591.db2.gz CFFFEUDVMHSBSV-RTBURBONSA-N 0 0 370.493 2.774 20 10 FFCDRN C[C@@H](NC(=O)N1Cc2ccccc2NC(=O)C1)c1ccc(N(C)C)cc1 ZINC000847355733 1055582930 /nfs/dbraw/zinc/58/29/30/1055582930.db2.gz FPRCRCQJHQCXIJ-CQSZACIVSA-N 0 0 352.438 2.978 20 10 FFCDRN Cc1cncn1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC001352554221 1055595445 /nfs/dbraw/zinc/59/54/45/1055595445.db2.gz WKURIRNWEWSORH-UHFFFAOYSA-N 0 0 354.376 2.849 20 10 FFCDRN CCC(CC)(CO)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000847360578 1055596608 /nfs/dbraw/zinc/59/66/08/1055596608.db2.gz BYXQTFOMUYXHJB-HUUCEWRRSA-N 0 0 366.477 2.854 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C[C@H](c2nccn2C)C(F)(F)F)cc1F ZINC000847405376 1055718967 /nfs/dbraw/zinc/71/89/67/1055718967.db2.gz IJOFSDTUIPIJNP-GFCCVEGCSA-N 0 0 372.366 2.978 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCN(CCc2ccccc2)CC1 ZINC001350467922 1055788653 /nfs/dbraw/zinc/78/86/53/1055788653.db2.gz BDTBQODRSZEWFN-UHFFFAOYSA-N 0 0 369.494 2.614 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(C)[C@@H](CO)Cc2ccccc2)cc1F ZINC001350478414 1055793423 /nfs/dbraw/zinc/79/34/23/1055793423.db2.gz AQGYJAXBJLLTBR-QGZVFWFLSA-N 0 0 359.445 2.637 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3nnc(-c4ccco4)o3)CC2)cc1 ZINC001350590802 1055850813 /nfs/dbraw/zinc/85/08/13/1055850813.db2.gz YWJOODPGPAWRBD-UHFFFAOYSA-N 0 0 368.393 2.691 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)Cn3nnc4c3CCCC4)cc2)CC1 ZINC000847473812 1055868617 /nfs/dbraw/zinc/86/86/17/1055868617.db2.gz AWGWNNGMFQXOFG-UHFFFAOYSA-N 0 0 367.497 2.710 20 10 FFCDRN O=C(C(=O)N1CC[C@H](CF)C1)N(Cc1ccccc1O)C1CCCCC1 ZINC001352915520 1055925004 /nfs/dbraw/zinc/92/50/04/1055925004.db2.gz KWKQLKCPLHYPGA-OAHLLOKOSA-N 0 0 362.445 2.872 20 10 FFCDRN C/C(=C\c1ccccn1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000847540168 1056012259 /nfs/dbraw/zinc/01/22/59/1056012259.db2.gz YHECATKUMQYRNA-NTCAYCPXSA-N 0 0 369.440 2.902 20 10 FFCDRN COC(=O)c1cc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n(C)n1 ZINC001544087990 1071594648 /nfs/dbraw/zinc/59/46/48/1071594648.db2.gz XAPJDIXDAJKFQO-UHFFFAOYSA-N 0 0 366.421 2.544 20 10 FFCDRN Cc1oncc1-c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCCO1 ZINC001358257458 1056221938 /nfs/dbraw/zinc/22/19/38/1056221938.db2.gz KETADMBDDFEGPC-OAHLLOKOSA-N 0 0 369.425 2.763 20 10 FFCDRN C[C@H](CC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1)NC(N)=O ZINC000847663247 1056303124 /nfs/dbraw/zinc/30/31/24/1056303124.db2.gz SKAPKZKQNVWVKY-CABCVRRESA-N 0 0 355.438 2.929 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@@H](c1nccn1C)C(F)(F)F ZINC000847695987 1056385608 /nfs/dbraw/zinc/38/56/08/1056385608.db2.gz KGPQPGRVTMVTRK-JQWIXIFHSA-N 0 0 371.359 2.615 20 10 FFCDRN C[C@H](c1ccccc1)[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000849230521 1056804407 /nfs/dbraw/zinc/80/44/07/1056804407.db2.gz HFIKGSZKHVSFSK-UZLBHIALSA-N 0 0 354.450 2.870 20 10 FFCDRN COC(=O)[C@@H](Cc1ccc(F)cc1)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849321596 1056826789 /nfs/dbraw/zinc/82/67/89/1056826789.db2.gz ISUMPVSXFGYKEX-YLJYHZDGSA-N 0 0 372.440 2.787 20 10 FFCDRN COc1cccc([C@@H]2NC(=O)N(Cc3ccc(N(C)C)c(F)c3)C2=O)c1 ZINC000849354112 1056838476 /nfs/dbraw/zinc/83/84/76/1056838476.db2.gz MIGCOSXNNOOICQ-KRWDZBQOSA-N 0 0 357.385 2.693 20 10 FFCDRN COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C\c1ccc(Cl)nc1 ZINC001544610274 1071667188 /nfs/dbraw/zinc/66/71/88/1071667188.db2.gz ZCQMZBVZUGKVBM-CLTKARDFSA-N 0 0 371.780 2.520 20 10 FFCDRN CNC(=O)c1cncc(/C=C/C(=O)N2C[C@H](C)Cc3cccc(F)c32)c1 ZINC001544944110 1071714481 /nfs/dbraw/zinc/71/44/81/1071714481.db2.gz YKMMAPCCILQFJV-KTRBRXNASA-N 0 0 353.397 2.819 20 10 FFCDRN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCC1 ZINC001443749871 1058239329 /nfs/dbraw/zinc/23/93/29/1058239329.db2.gz FFQJUWXQFNCUTB-JLHYYAGUSA-N 0 0 350.440 2.649 20 10 FFCDRN CC[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O)OC ZINC001545986780 1058522949 /nfs/dbraw/zinc/52/29/49/1058522949.db2.gz KCZGPSNUNMVOOC-DLBZAZTESA-N 0 0 374.485 2.939 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCCOc1ncc(Cl)cc1Cl ZINC001545624823 1071820057 /nfs/dbraw/zinc/82/00/57/1071820057.db2.gz DAYCVAUBQHIWQE-UHFFFAOYSA-N 0 0 357.193 2.537 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1CC1(C)COC1 ZINC001503488462 1059035669 /nfs/dbraw/zinc/03/56/69/1059035669.db2.gz DWBCLBMKMVTGRG-MRXNPFEDSA-N 0 0 358.442 2.508 20 10 FFCDRN CS(=O)(=O)c1ccc(F)c(C(=O)NCc2cc(Cl)ccc2O)c1 ZINC001452935665 1059315430 /nfs/dbraw/zinc/31/54/30/1059315430.db2.gz KBQPKRNDCPYVBJ-UHFFFAOYSA-N 0 0 357.790 2.518 20 10 FFCDRN COC[C@H]1[C@@H]2CN(c3nnc(C)n3Cc3ccc(N(C)C)c(F)c3)CC[C@H]12 ZINC001505086190 1059316628 /nfs/dbraw/zinc/31/66/28/1059316628.db2.gz HMZHFMJTTUBLSR-GVDBMIGSSA-N 0 0 373.476 2.559 20 10 FFCDRN CC1=NO[C@@](C)(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC001354656829 1059322392 /nfs/dbraw/zinc/32/23/92/1059322392.db2.gz GYDQOLSAOZULSH-BIENJYKASA-N 0 0 363.433 2.610 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(C)nc(NC4CC4)c3)C2)cc1 ZINC001453221434 1059350188 /nfs/dbraw/zinc/35/01/88/1059350188.db2.gz VHBHPKJWFXKZFK-QGZVFWFLSA-N 0 0 366.465 2.982 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnn2c1NC[C@H](C)C2 ZINC001520239652 1059523345 /nfs/dbraw/zinc/52/33/45/1059523345.db2.gz KPOWZLLIMVFSKT-ZFWWWQNUSA-N 0 0 355.486 2.680 20 10 FFCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC001520359457 1059636895 /nfs/dbraw/zinc/63/68/95/1059636895.db2.gz OWVJWTKSRMMXBO-GFCCVEGCSA-N 0 0 370.796 2.977 20 10 FFCDRN CCCCn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001547017978 1071903069 /nfs/dbraw/zinc/90/30/69/1071903069.db2.gz IAJKQSDTYCZQFI-UHFFFAOYSA-N 0 0 357.458 2.656 20 10 FFCDRN CC(C)C(=O)N(C)Cc1ccc(C(=O)NCc2cc(O)ccc2O)cc1 ZINC001455357926 1059771519 /nfs/dbraw/zinc/77/15/19/1059771519.db2.gz XMLVOLKWTWHIPN-UHFFFAOYSA-N 0 0 356.422 2.642 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1c(C)nn(C)c1Br ZINC001355108970 1059899867 /nfs/dbraw/zinc/89/98/67/1059899867.db2.gz ZYCFHVYIKIPNET-UHFFFAOYSA-N 0 0 373.247 2.612 20 10 FFCDRN CC(C)C[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1 ZINC001515952888 1059905120 /nfs/dbraw/zinc/90/51/20/1059905120.db2.gz HKZCBSAOOBXZCH-MAUKXSAKSA-N 0 0 374.485 2.736 20 10 FFCDRN CCCn1c(N(C)Cc2ccccc2O)nnc1[C@]1(OCC)CCOC1 ZINC001547163792 1071926909 /nfs/dbraw/zinc/92/69/09/1071926909.db2.gz PMDWPYALFPQLEN-IBGZPJMESA-N 0 0 360.458 2.682 20 10 FFCDRN CC(=O)N[C@@H](CC(=O)NCc1c(O)cccc1F)c1c(F)cccc1F ZINC001456086742 1060009648 /nfs/dbraw/zinc/00/96/48/1060009648.db2.gz HHBBHYWYRHRRSA-HNNXBMFYSA-N 0 0 366.339 2.693 20 10 FFCDRN COCCOc1ccc(C(=O)NCc2c(O)cccc2O)c(Cl)c1 ZINC001456237955 1060066876 /nfs/dbraw/zinc/06/68/76/1060066876.db2.gz XFQVXBNWAHYVRO-UHFFFAOYSA-N 0 0 351.786 2.706 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC[C@H](C(F)(F)F)NC1=O ZINC001456308761 1060084763 /nfs/dbraw/zinc/08/47/63/1060084763.db2.gz FYXWEPNSFRFSDJ-SWLSCSKDSA-N 0 0 366.339 2.619 20 10 FFCDRN COCC1CN(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC001520824028 1060118721 /nfs/dbraw/zinc/11/87/21/1060118721.db2.gz DMUSJNZPUUWHJC-CQSZACIVSA-N 0 0 369.412 2.545 20 10 FFCDRN COc1nn(C)cc1CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001456995677 1060248790 /nfs/dbraw/zinc/24/87/90/1060248790.db2.gz QPGGRXAUCOXBKO-UHFFFAOYSA-N 0 0 366.421 2.579 20 10 FFCDRN Cc1cc(CC(=O)NCc2ccc(C(N)=O)o2)c(C)n1-c1ccccc1 ZINC001457286244 1060334894 /nfs/dbraw/zinc/33/48/94/1060334894.db2.gz HJTNZDRAXYWXLU-UHFFFAOYSA-N 0 0 351.406 2.645 20 10 FFCDRN COc1ccc(N2CC[C@H](CNc3nccc4c(=O)[nH]cnc43)C2)cc1 ZINC000848728247 1060562341 /nfs/dbraw/zinc/56/23/41/1060562341.db2.gz POIBNZZHEUEJDT-CYBMUJFWSA-N 0 0 351.410 2.677 20 10 FFCDRN CO[C@H]1CC[C@H](C)N(c2nnc(C3Sc4ncccc4C3=O)n2C)C1 ZINC001355800696 1060601009 /nfs/dbraw/zinc/60/10/09/1060601009.db2.gz GWRFPZOXIBGCOH-QWRGUYRKSA-N 0 0 359.455 2.801 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)C(=O)OC(C)C)CCCC1 ZINC001460150023 1060906184 /nfs/dbraw/zinc/90/61/84/1060906184.db2.gz ABWVCZOTFXTPNS-AWEZNQCLSA-N 0 0 372.465 2.985 20 10 FFCDRN CC(C)Oc1ccc(S(=O)(=O)NCc2cc(Cl)ccc2O)cn1 ZINC001475467194 1061103011 /nfs/dbraw/zinc/10/30/11/1061103011.db2.gz BNLFCLDTKCDSKZ-UHFFFAOYSA-N 0 0 356.831 2.706 20 10 FFCDRN O=C(CC[NH2+]Cc1cc(Br)cc(F)c1[O-])Nc1ccccn1 ZINC001461225559 1061257428 /nfs/dbraw/zinc/25/74/28/1061257428.db2.gz RJYUOIZPEZLIBM-UHFFFAOYSA-N 0 0 368.206 2.807 20 10 FFCDRN COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 ZINC001526801363 1061271346 /nfs/dbraw/zinc/27/13/46/1061271346.db2.gz MMMKCNPAIRBWKV-NWDGAFQWSA-N 0 0 365.451 2.940 20 10 FFCDRN CCn1ccc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 ZINC001527057155 1061372927 /nfs/dbraw/zinc/37/29/27/1061372927.db2.gz BHNQYBFXTTYONG-UHFFFAOYSA-N 0 0 359.385 2.860 20 10 FFCDRN CCOC(=O)[C@H](C)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001476767817 1061475197 /nfs/dbraw/zinc/47/51/97/1061475197.db2.gz JTNZJPZFGHAUOM-CYBMUJFWSA-N 0 0 367.409 2.717 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(C(F)(F)F)n(C)n1 ZINC001477163924 1061605641 /nfs/dbraw/zinc/60/56/41/1061605641.db2.gz DXBDQGDNUWQCDL-MRVPVSSYSA-N 0 0 358.320 2.603 20 10 FFCDRN CC(C)CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC001528094200 1061747014 /nfs/dbraw/zinc/74/70/14/1061747014.db2.gz FZZWDIZCKTZUJH-HOCLYGCPSA-N 0 0 362.470 2.572 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCn3c(C)nnc3[C@@H]2C)cc1F ZINC001477847464 1061817653 /nfs/dbraw/zinc/81/76/53/1061817653.db2.gz JDTCIURTHXUACD-ZDUSSCGKSA-N 0 0 374.464 2.858 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H](O)Cc1ccccc1F ZINC001477853753 1061820556 /nfs/dbraw/zinc/82/05/56/1061820556.db2.gz DNBNZERECAHFTC-SFHVURJKSA-N 0 0 359.445 2.603 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cccc3scnc32)cc1F ZINC001462948850 1061858512 /nfs/dbraw/zinc/85/85/12/1061858512.db2.gz WDSRRWRRJUIAKQ-UHFFFAOYSA-N 0 0 365.455 2.980 20 10 FFCDRN COc1cc(F)c(S(=O)(=O)NCc2ccc(N(C)C)cc2C)cc1F ZINC001463072434 1061924689 /nfs/dbraw/zinc/92/46/89/1061924689.db2.gz OYOKUHLDCRWXKA-UHFFFAOYSA-N 0 0 370.421 2.826 20 10 FFCDRN Cc1cc(CNC(=O)NCCCOCCO)c(C)n1-c1cccc(C)c1 ZINC001479099104 1062225358 /nfs/dbraw/zinc/22/53/58/1062225358.db2.gz CDALQGAXIHVXSV-UHFFFAOYSA-N 0 0 359.470 2.601 20 10 FFCDRN COC(=O)c1ccc([C@@H]2CCCCN2C(=O)c2cccc(O)c2O)n1C ZINC001522826182 1062301900 /nfs/dbraw/zinc/30/19/00/1062301900.db2.gz MZGPPWNEHSEIFG-AWEZNQCLSA-N 0 0 358.394 2.590 20 10 FFCDRN NC(=O)Nc1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001463870759 1062302279 /nfs/dbraw/zinc/30/22/79/1062302279.db2.gz UHEZJKZVIFSJEC-UHFFFAOYSA-N 0 0 357.391 2.733 20 10 FFCDRN COc1ccc(-n2cc(C(=O)N[C@@H](C)c3ccc(N(C)C)cc3)nn2)cc1 ZINC001529478222 1062321265 /nfs/dbraw/zinc/32/12/65/1062321265.db2.gz ANCJFZYVQZIMBP-AWEZNQCLSA-N 0 0 365.437 2.833 20 10 FFCDRN CC[C@@H](CNC(=O)NCc1ccc(OC)cc1O)C(=O)OC(C)(C)C ZINC001479384267 1062338042 /nfs/dbraw/zinc/33/80/42/1062338042.db2.gz GOUSXMJXPAWHMR-LBPRGKRZSA-N 0 0 352.431 2.568 20 10 FFCDRN O=C(NCc1nncn1-c1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001464104583 1062427372 /nfs/dbraw/zinc/42/73/72/1062427372.db2.gz ZOMWUOJLPDHPNO-UHFFFAOYSA-N 0 0 366.402 2.823 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)CN(C(C)=O)c2ccccc2)cc1 ZINC001530908066 1062658564 /nfs/dbraw/zinc/65/85/64/1062658564.db2.gz XBOZIHWRKUYSKD-UHFFFAOYSA-N 0 0 369.465 2.643 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)cc1 ZINC001531321993 1062743491 /nfs/dbraw/zinc/74/34/91/1062743491.db2.gz USXRGFDIOMGASM-OAHLLOKOSA-N 0 0 355.413 2.561 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(C)[C@@H]2c2cccc(F)c2)cc1 ZINC001524861167 1063025288 /nfs/dbraw/zinc/02/52/88/1063025288.db2.gz FBGWPBVEHWHWBS-AZUAARDMSA-N 0 0 369.440 2.728 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc2c(c1)[nH]c(=O)n2CC1CC1 ZINC001465981915 1063288670 /nfs/dbraw/zinc/28/86/70/1063288670.db2.gz SSRICRPXFNQVNE-UHFFFAOYSA-N 0 0 367.405 2.536 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cn2)cc1 ZINC001466215726 1063366852 /nfs/dbraw/zinc/36/68/52/1063366852.db2.gz AVXPAVKNKIKULB-UHFFFAOYSA-N 0 0 352.354 2.623 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H](C)OCC(C)C ZINC001466397712 1063422756 /nfs/dbraw/zinc/42/27/56/1063422756.db2.gz CYTOCBDLETTYNN-LBPRGKRZSA-N 0 0 357.834 2.608 20 10 FFCDRN C[C@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1)c1ccc(N(C)C)cc1 ZINC001467259555 1063686617 /nfs/dbraw/zinc/68/66/17/1063686617.db2.gz JWEMUIODBFDUMB-XOBRGWDASA-N 0 0 362.470 2.821 20 10 FFCDRN CCC(C)(C)OC1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001468245947 1063950577 /nfs/dbraw/zinc/95/05/77/1063950577.db2.gz XPBOEJGXLATHFS-UHFFFAOYSA-N 0 0 361.486 2.622 20 10 FFCDRN Cc1cc(C)nc(SCC(=O)NCc2ccc3cccnc3c2O)n1 ZINC001469247683 1064116755 /nfs/dbraw/zinc/11/67/55/1064116755.db2.gz DPTKURGMLBIRJP-UHFFFAOYSA-N 0 0 354.435 2.756 20 10 FFCDRN CCO[C@@H]1COC[C@H]1NC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001470162642 1064267074 /nfs/dbraw/zinc/26/70/74/1064267074.db2.gz NRXPRHSZBJJSCW-RTBURBONSA-N 0 0 357.454 2.697 20 10 FFCDRN O=C(NCCc1ccc2c(c1)OC(F)(F)O2)NCc1ccccc1O ZINC001470674113 1064407637 /nfs/dbraw/zinc/40/76/37/1064407637.db2.gz LJCQWIFOQWLZNO-UHFFFAOYSA-N 0 0 350.321 2.756 20 10 FFCDRN O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1Cc2cccc(O)c2C1 ZINC001471355561 1064652776 /nfs/dbraw/zinc/65/27/76/1064652776.db2.gz LBURAYIKILHQLL-UHFFFAOYSA-N 0 0 350.334 2.642 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCC3(CCOCC3)CO2)cc1 ZINC001471624183 1064736483 /nfs/dbraw/zinc/73/64/83/1064736483.db2.gz KVQGAMXCLFLGQY-OAHLLOKOSA-N 0 0 360.414 2.555 20 10 FFCDRN COc1cc(NC(=O)Cc2ccc(O)c(O)c2)c2nccc(OC)c2c1 ZINC001471698892 1064763281 /nfs/dbraw/zinc/76/32/81/1064763281.db2.gz TUWUJISFWILBBT-UHFFFAOYSA-N 0 0 354.362 2.844 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@]2(C)C1 ZINC001575206391 1078117683 /nfs/dbraw/zinc/11/76/83/1078117683.db2.gz NMBSJFKZSPIKFD-MGPUTAFESA-N 0 0 359.470 2.527 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@]2(c3ccccc3)C[C@@H](O)C2)cc1 ZINC001471887311 1064835656 /nfs/dbraw/zinc/83/56/56/1064835656.db2.gz VLQBNHBVTVLODU-RUCARUNLSA-N 0 0 352.394 2.672 20 10 FFCDRN Cn1c(=O)c([N+](=O)[O-])c(NCCc2ccc(O)c(O)c2)c2ccccc21 ZINC001472716658 1065133954 /nfs/dbraw/zinc/13/39/54/1065133954.db2.gz RWBOPFWRCHPJEC-UHFFFAOYSA-N 0 0 355.350 2.513 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COc3cc(C)ccc3C=O)CC2)cc1 ZINC001473082412 1065195780 /nfs/dbraw/zinc/19/57/80/1065195780.db2.gz GIZJYFXINMJABT-UHFFFAOYSA-N 0 0 368.433 2.544 20 10 FFCDRN [O-]c1cc(F)c(F)cc1C[NH2+]Cc1ccncc1OC[C@@H]1CCOC1 ZINC001474559442 1065551464 /nfs/dbraw/zinc/55/14/64/1065551464.db2.gz HMNOADLUNDQQHP-GFCCVEGCSA-N 0 0 350.365 2.771 20 10 FFCDRN Cc1cc(Br)cc(CN2CC(OC(=O)NC(C)C)C2)c1O ZINC001474569947 1065552649 /nfs/dbraw/zinc/55/26/49/1065552649.db2.gz PZIWOUVDYVNBJL-UHFFFAOYSA-N 0 0 357.248 2.782 20 10 FFCDRN CCOC(=O)[C@]1(F)CN(Cc2ccc(OC)c(OC)c2O)CC12CCC2 ZINC001474624341 1065564527 /nfs/dbraw/zinc/56/45/27/1065564527.db2.gz RCNIRADGRIBFGD-LJQANCHMSA-N 0 0 367.417 2.667 20 10 FFCDRN Cc1ccc(CN2CCn3ncc(I)c3C2)c(O)c1 ZINC001474721274 1065589691 /nfs/dbraw/zinc/58/96/91/1065589691.db2.gz VQIMDKTUBLNHRN-UHFFFAOYSA-N 0 0 369.206 2.518 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC001576854993 1078281935 /nfs/dbraw/zinc/28/19/35/1078281935.db2.gz VBTFYZWQCFASBK-QGZVFWFLSA-N 0 0 355.373 2.580 20 10 FFCDRN Nc1ccc(NC(=O)N2CCC3(C[C@@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC001580448212 1078806950 /nfs/dbraw/zinc/80/69/50/1078806950.db2.gz YLRHZOHLFVFRTC-QGZVFWFLSA-N 0 0 356.470 2.915 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H](CO)c2ccc(Cl)cc2)cc1F ZINC001583751893 1079259204 /nfs/dbraw/zinc/25/92/04/1079259204.db2.gz JISMXWHPESAKIY-OAHLLOKOSA-N 0 0 350.821 2.937 20 10 FFCDRN CN1CCC(=O)Nc2cc(C(=O)NCc3cc(Cl)ccc3O)ccc21 ZINC001583816940 1079270307 /nfs/dbraw/zinc/27/03/07/1079270307.db2.gz OTMCKLOVPBZLCV-UHFFFAOYSA-N 0 0 359.813 2.754 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1cc(Cl)ncc1Br ZINC001557085191 1075806459 /nfs/dbraw/zinc/80/64/59/1075806459.db2.gz DRIICQQLWGAMSB-UHFFFAOYSA-N 0 0 357.591 2.839 20 10 FFCDRN CNc1c(C(=O)NCc2ccc3cccnc3c2O)cccc1[N+](=O)[O-] ZINC001557121878 1075810929 /nfs/dbraw/zinc/81/09/29/1075810929.db2.gz BYVJUTZPAVMQKL-UHFFFAOYSA-N 0 0 352.350 2.820 20 10 FFCDRN CC[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1F ZINC001557291010 1075834495 /nfs/dbraw/zinc/83/44/95/1075834495.db2.gz RYOMJYZKNOIYOK-OAHLLOKOSA-N 0 0 366.414 2.784 20 10 FFCDRN O=C(Cc1ccc(F)c(Br)c1)NCc1cccc(O)c1O ZINC001558160026 1075952669 /nfs/dbraw/zinc/95/26/69/1075952669.db2.gz QQNZIIFNBJDKNY-UHFFFAOYSA-N 0 0 354.175 2.858 20 10 FFCDRN COc1nsc(C(=O)NCc2c(O)cccc2F)c1Br ZINC001558457751 1076009723 /nfs/dbraw/zinc/00/97/23/1076009723.db2.gz SWGGTCLMFXQGAW-UHFFFAOYSA-N 0 0 361.192 2.689 20 10 FFCDRN CNC(=O)c1cncc(/C=C\C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001558553943 1076031552 /nfs/dbraw/zinc/03/15/52/1076031552.db2.gz GXUVMAGKFPCBTF-TWGQIWQCSA-N 0 0 361.401 2.630 20 10 FFCDRN C[C@H](NCc1nc(N)nc(Nc2ccc(F)cc2)n1)c1ccccc1O ZINC001560075046 1076222578 /nfs/dbraw/zinc/22/25/78/1076222578.db2.gz PGWQYTRYFTWAFN-NSHDSACASA-N 0 0 354.389 2.893 20 10 FFCDRN C[C@H](O)c1ncc(CNCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC001560499613 1076276465 /nfs/dbraw/zinc/27/64/65/1076276465.db2.gz JVZHGETTWBIBQR-NSHDSACASA-N 0 0 369.437 2.601 20 10 FFCDRN NC(=O)NCc1ccc(NCc2ccc(Br)cc2O)cc1 ZINC001560710763 1076292873 /nfs/dbraw/zinc/29/28/73/1076292873.db2.gz UTIUTLQZLUQZAL-UHFFFAOYSA-N 0 0 350.216 2.935 20 10 FFCDRN COc1cc(C)c(CNCC(F)(F)CNC(=O)OC(C)(C)C)c(O)c1 ZINC001560772921 1076298379 /nfs/dbraw/zinc/29/83/79/1076298379.db2.gz LHYGGRLQZGIYCI-UHFFFAOYSA-N 0 0 360.401 2.959 20 10 FFCDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H](C)c2ccccc2O)c1 ZINC001561837927 1076431765 /nfs/dbraw/zinc/43/17/65/1076431765.db2.gz HKQOBHABTMMJAL-SNVBAGLBSA-N 0 0 369.826 2.872 20 10 FFCDRN Cn1cc(-c2nsc(NC(=O)NCc3cccc(Cl)c3O)n2)cn1 ZINC001563365362 1076546510 /nfs/dbraw/zinc/54/65/10/1076546510.db2.gz ILXVUGUDKGUJAX-UHFFFAOYSA-N 0 0 364.818 2.619 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H]3C[C@H](C(=O)OC)C[C@H]32)cc1 ZINC001563693567 1076576181 /nfs/dbraw/zinc/57/61/81/1076576181.db2.gz UXVNPYOAMCNOHX-JFRXWTBNSA-N 0 0 373.497 2.920 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@]2(C)CC(C)(C)OC2=O)cc1F ZINC001563998920 1076597967 /nfs/dbraw/zinc/59/79/67/1076597967.db2.gz RTNWXUNYECQPTD-LJQANCHMSA-N 0 0 365.449 2.955 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2Cc3ccccc3O2)cc1 ZINC001564763687 1076658242 /nfs/dbraw/zinc/65/82/42/1076658242.db2.gz MESARUGTNGUHCJ-IBGZPJMESA-N 0 0 369.465 2.777 20 10 FFCDRN COc1ccc(-c2cnc(NC(=O)Cc3ccc(O)c(O)c3)n2C)cc1 ZINC001569801111 1077167572 /nfs/dbraw/zinc/16/75/72/1077167572.db2.gz UDMKEQUNRWBGSH-UHFFFAOYSA-N 0 0 353.378 2.688 20 10 FFCDRN CCC[C@](C)(NC(=O)OC(C)(C)C)C(=O)NCc1ccc(O)cc1O ZINC001570462388 1077207542 /nfs/dbraw/zinc/20/75/42/1077207542.db2.gz RHXOVJDZOYTKET-SFHVURJKSA-N 0 0 352.431 2.798 20 10 FFCDRN CSc1ncc(C(=O)NCc2ccc(O)cc2O)n1-c1ccccc1 ZINC001570462350 1077207568 /nfs/dbraw/zinc/20/75/68/1077207568.db2.gz PYOSOKIHBAODSL-UHFFFAOYSA-N 0 0 355.419 2.935 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1c(O)cccc1Cl ZINC001570514858 1077212211 /nfs/dbraw/zinc/21/22/11/1077212211.db2.gz ROLSHSCYCZERBT-UHFFFAOYSA-N 0 0 363.797 2.957 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccn(-c4ccccc4)n3)C2)cc1 ZINC001587113318 1079739409 /nfs/dbraw/zinc/73/94/09/1079739409.db2.gz MKDCDFBSEIBJBN-INIZCTEOSA-N 0 0 362.433 2.890 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccc(OC(F)F)nc3)C2)cc1 ZINC001587115140 1079740074 /nfs/dbraw/zinc/74/00/74/1079740074.db2.gz WKHRHYXTGJUQJE-ZDUSSCGKSA-N 0 0 363.364 2.700 20 10 FFCDRN C[C@@H](NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC001587447715 1079793948 /nfs/dbraw/zinc/79/39/48/1079793948.db2.gz ZEHOEXRNLYQEGI-CVEARBPZSA-N 0 0 371.456 2.919 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ncc(-c2nn[nH]n2)c2ccsc21 ZINC001589899022 1080846000 /nfs/dbraw/zinc/84/60/00/1080846000.db2.gz DBVWHKXGRBJUEC-VIFPVBQESA-N 0 0 368.422 2.931 20 10 FFCDRN C[C@@H]([NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-])c1cnn(CC2CCC2)c1 ZINC001589953795 1080900525 /nfs/dbraw/zinc/90/05/25/1080900525.db2.gz VYCSSHGOQGWHHR-CHWSQXEVSA-N 0 0 367.457 2.981 20 10 FFCDRN C[C@H]([NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589963332 1080906820 /nfs/dbraw/zinc/90/68/20/1080906820.db2.gz WHKQUMLNWXHJRX-CWSCBRNRSA-N 0 0 371.363 2.723 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(OC(C)(C)C)n1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589970443 1080912696 /nfs/dbraw/zinc/91/26/96/1080912696.db2.gz RSHSCYSKABLBTI-GFCCVEGCSA-N 0 0 368.441 2.995 20 10 FFCDRN COc1cc(N2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC ZINC000006274870 506474064 /nfs/dbraw/zinc/47/40/64/506474064.db2.gz AFDKSCDYSCSZLO-UHFFFAOYSA-N 0 0 356.422 2.675 20 10 FFCDRN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1nnc2n1CCCCC2 ZINC000042800916 506668151 /nfs/dbraw/zinc/66/81/51/506668151.db2.gz LYWMQKLZZIMIRO-INIZCTEOSA-N 0 0 355.486 2.692 20 10 FFCDRN O=C(NCCc1ccccc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000056330306 506986554 /nfs/dbraw/zinc/98/65/54/506986554.db2.gz SRFSJNMEJLSRCR-UHFFFAOYSA-N 0 0 367.493 2.937 20 10 FFCDRN CCOC(=O)N[C@@H](CNC(=O)N(C)Cc1ccccc1O)CC(C)C ZINC000047056218 507258718 /nfs/dbraw/zinc/25/87/18/507258718.db2.gz UOPYXVGWZNBMRR-OAHLLOKOSA-N 0 0 351.447 2.694 20 10 FFCDRN CCCC(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000057550480 507284677 /nfs/dbraw/zinc/28/46/77/507284677.db2.gz WPAIIYMILQTVQR-SFHVURJKSA-N 0 0 357.498 2.724 20 10 FFCDRN COc1ccc(CCNC(=O)N(C)Cc2ccccc2O)c(OC)c1OC ZINC000069864066 507575697 /nfs/dbraw/zinc/57/56/97/507575697.db2.gz ZUPYRGRVBIGYMZ-UHFFFAOYSA-N 0 0 374.437 2.802 20 10 FFCDRN Cc1ccccc1CNC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000070758502 507631769 /nfs/dbraw/zinc/63/17/69/507631769.db2.gz SYBXNPCONBLJEE-UHFFFAOYSA-N 0 0 367.493 2.580 20 10 FFCDRN C[C@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000070758117 507632108 /nfs/dbraw/zinc/63/21/08/507632108.db2.gz OZBYROPPYCRTEI-SFHVURJKSA-N 0 0 367.493 2.832 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(OCC3CC3)cc2)cc1 ZINC000072691220 507843250 /nfs/dbraw/zinc/84/32/50/507843250.db2.gz DSWFMHXGJNJAAS-UHFFFAOYSA-N 0 0 367.449 2.796 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)c1ccc(F)cc1 ZINC000078689466 507897808 /nfs/dbraw/zinc/89/78/08/507897808.db2.gz RSGVSDVJCMKQAJ-LJQANCHMSA-N 0 0 357.429 2.959 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@H]1[C@@H](O)C(F)(F)F ZINC000078896555 507914990 /nfs/dbraw/zinc/91/49/90/507914990.db2.gz SRCQUGBIFVFHOD-JKSUJKDBSA-N 0 0 371.403 2.884 20 10 FFCDRN CO[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000073772825 507954064 /nfs/dbraw/zinc/95/40/64/507954064.db2.gz LVFUZHBTMLGQFV-KRWDZBQOSA-N 0 0 367.465 2.523 20 10 FFCDRN CO[C@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)(C)C ZINC000073772822 507954280 /nfs/dbraw/zinc/95/42/80/507954280.db2.gz LVFUZHBTMLGQFV-QGZVFWFLSA-N 0 0 367.465 2.523 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCS(=O)(=O)CC(C)C ZINC000079718632 507995415 /nfs/dbraw/zinc/99/54/15/507995415.db2.gz ZMCAIJWSRYBWRA-UHFFFAOYSA-N 0 0 354.516 2.562 20 10 FFCDRN CS(=O)(=O)CCCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000074200333 507997807 /nfs/dbraw/zinc/99/78/07/507997807.db2.gz CXPZFFIHUAULDL-UHFFFAOYSA-N 0 0 368.499 2.671 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)cc1 ZINC000110059248 508004033 /nfs/dbraw/zinc/00/40/33/508004033.db2.gz JDHBZCBRETYOGU-CQSZACIVSA-N 0 0 356.470 2.878 20 10 FFCDRN C[C@H](O)CC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000074547891 508034451 /nfs/dbraw/zinc/03/44/51/508034451.db2.gz RUSZXSHGCHUWRJ-RDJZCZTQSA-N 0 0 364.486 2.880 20 10 FFCDRN COCCN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000080531472 508081854 /nfs/dbraw/zinc/08/18/54/508081854.db2.gz DDPQFQLZXSOOOM-CYBMUJFWSA-N 0 0 357.401 2.545 20 10 FFCDRN CCc1cccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)CC)cc2)c1 ZINC000080938984 508115306 /nfs/dbraw/zinc/11/53/06/508115306.db2.gz FOANTKQYEYXNQO-UHFFFAOYSA-N 0 0 368.480 2.811 20 10 FFCDRN CN(c1ccc(CNC(=O)N2CCn3cnnc3C2)cc1)C1CCCCC1 ZINC000111843501 508128801 /nfs/dbraw/zinc/12/88/01/508128801.db2.gz BTUHOKZGEPFPTI-UHFFFAOYSA-N 0 0 368.485 2.772 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3[nH]c(C)c(C(C)=O)c3C)CC2)cc1F ZINC000084814874 508293999 /nfs/dbraw/zinc/29/39/99/508293999.db2.gz YJBSARYDGUPNKE-UHFFFAOYSA-N 0 0 373.428 2.944 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CC[C@@H]3CCCCO3)CC2)cc1F ZINC000084814659 508294015 /nfs/dbraw/zinc/29/40/15/508294015.db2.gz TXDYEOAAIAOSFY-INIZCTEOSA-N 0 0 350.434 2.832 20 10 FFCDRN CC(=O)Nc1ccc(CCNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000103612570 508319302 /nfs/dbraw/zinc/31/93/02/508319302.db2.gz SNMDCXRVRCZKLZ-UHFFFAOYSA-N 0 0 372.444 2.892 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2ccccc2-n2ccnc2)c1 ZINC000114591525 508328766 /nfs/dbraw/zinc/32/87/66/508328766.db2.gz JKJSFUJZCYGNHB-UHFFFAOYSA-N 0 0 352.394 2.586 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H](c2ccccc2)N2CCSCC2)c1O ZINC000105650804 508379697 /nfs/dbraw/zinc/37/96/97/508379697.db2.gz LTEMZEGBHYKJJE-GOSISDBHSA-N 0 0 372.490 2.807 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCc3nncn3C3CC3)c2C)cc1 ZINC000106412752 508400580 /nfs/dbraw/zinc/40/05/80/508400580.db2.gz AQQGSPBMZPNAFD-UHFFFAOYSA-N 0 0 365.437 2.959 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2OCC2CC2)cc1 ZINC000156491933 508428517 /nfs/dbraw/zinc/42/85/17/508428517.db2.gz DIHLNOKKVYTLMR-UHFFFAOYSA-N 0 0 367.449 2.796 20 10 FFCDRN COc1ccc(N(C)Cc2nn3c(nc(C)cc3=O)s2)cc1Cl ZINC000121863741 508434910 /nfs/dbraw/zinc/43/49/10/508434910.db2.gz RZKGTEMOHJJCSO-UHFFFAOYSA-N 0 0 350.831 2.758 20 10 FFCDRN Cc1ccc([C@@H](O)CNC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000127985670 508531623 /nfs/dbraw/zinc/53/16/23/508531623.db2.gz YHACEYRADOYAHA-FQEVSTJZSA-N 0 0 351.450 2.904 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc2c1CCCC2 ZINC000134612309 508551688 /nfs/dbraw/zinc/55/16/88/508551688.db2.gz SRDFBHWGNPPPMW-ZDUSSCGKSA-N 0 0 368.433 2.663 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000153673176 508622648 /nfs/dbraw/zinc/62/26/48/508622648.db2.gz AKRYHLZJFFYKQN-JMDRFEIHSA-N 0 0 368.477 2.610 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)c2cn(-c3ccccc3)nn2)c1 ZINC000135587452 508628523 /nfs/dbraw/zinc/62/85/23/508628523.db2.gz ISXBWFGDQYGNHX-ZDUSSCGKSA-N 0 0 367.409 2.542 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)cc1 ZINC000158639877 508732710 /nfs/dbraw/zinc/73/27/10/508732710.db2.gz WZZBRNXNEYCUKD-LBPRGKRZSA-N 0 0 366.387 2.916 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000129588536 508743383 /nfs/dbraw/zinc/74/33/83/508743383.db2.gz FQDPTJMTLQLFJP-ICSRJNTNSA-N 0 0 373.497 2.622 20 10 FFCDRN O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCn2nccc21 ZINC000375601826 512415656 /nfs/dbraw/zinc/41/56/56/512415656.db2.gz WUCJLPRHFGQHRI-UHFFFAOYSA-N 0 0 356.389 2.791 20 10 FFCDRN C[C@]1(C(=O)NCc2ccc(O)c(O)c2)CCCN(C(=O)c2ccccc2)C1 ZINC000158922676 508769232 /nfs/dbraw/zinc/76/92/32/508769232.db2.gz USODPOVGZFQHBU-NRFANRHFSA-N 0 0 368.433 2.657 20 10 FFCDRN CN1C(=O)C[C@@H](C(=O)NCc2ccc(O)c(O)c2)[C@@H]1c1cccc(Cl)c1 ZINC000159027735 508782353 /nfs/dbraw/zinc/78/23/53/508782353.db2.gz RKNRRYYCSAALMH-KDOFPFPSSA-N 0 0 374.824 2.587 20 10 FFCDRN C[C@@](O)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccc(F)cc1 ZINC000119939499 508893987 /nfs/dbraw/zinc/89/39/87/508893987.db2.gz OTWKTGPJBNPOBD-OAQYLSRUSA-N 0 0 369.440 2.909 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000151094313 508955002 /nfs/dbraw/zinc/95/50/02/508955002.db2.gz SUSGIRRLAURJHK-XLIONFOSSA-N 0 0 373.522 2.917 20 10 FFCDRN COCCOc1cccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000131759784 508967281 /nfs/dbraw/zinc/96/72/81/508967281.db2.gz RDVUBMJRUNVCEO-UHFFFAOYSA-N 0 0 370.449 2.746 20 10 FFCDRN COc1cc(N(C)CC(=O)N2C[C@H](C)C[C@@H](C)C2)cc(OC)c1OC ZINC000125739422 509024015 /nfs/dbraw/zinc/02/40/15/509024015.db2.gz QDTBZNCSSALEBQ-ZIAGYGMSSA-N 0 0 350.459 2.653 20 10 FFCDRN CC[C@H]1CCCCN1C(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125754401 509025885 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CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000275450978 510899587 /nfs/dbraw/zinc/89/95/87/510899587.db2.gz GRZNVNAPDSNQNY-OAHLLOKOSA-N 0 0 363.458 2.933 20 10 FFCDRN CSc1nnc(CNC(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000275459379 510901193 /nfs/dbraw/zinc/90/11/93/510901193.db2.gz VCMOAQKQRCRRGT-UHFFFAOYSA-N 0 0 363.512 2.642 20 10 FFCDRN COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000275876891 510920265 /nfs/dbraw/zinc/92/02/65/510920265.db2.gz WIZPMPKCRNZJOQ-LBPRGKRZSA-N 0 0 358.394 2.946 20 10 FFCDRN CN(CCCCO)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000276377070 510934192 /nfs/dbraw/zinc/93/41/92/510934192.db2.gz CJBPGOXXYDPLFW-CQSZACIVSA-N 0 0 371.428 2.671 20 10 FFCDRN O=C(Oc1ccccc1)N1CCCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276664448 510944152 /nfs/dbraw/zinc/94/41/52/510944152.db2.gz YMNWEEDAUPZVOI-UHFFFAOYSA-N 0 0 374.368 2.584 20 10 FFCDRN C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000276973859 510950876 /nfs/dbraw/zinc/95/08/76/510950876.db2.gz 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CCCNC(=O)CN1CCC([NH2+][C@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000285795677 511014783 /nfs/dbraw/zinc/01/47/83/511014783.db2.gz UYBGXXKAOPQSRV-QGZVFWFLSA-N 0 0 351.466 2.563 20 10 FFCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)CCCC(N)=O)cc1 ZINC000278962532 511016476 /nfs/dbraw/zinc/01/64/76/511016476.db2.gz GTZOVWDKOMGZJM-UHFFFAOYSA-N 0 0 369.465 2.950 20 10 FFCDRN COCc1cnc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)s1 ZINC000286865453 511034918 /nfs/dbraw/zinc/03/49/18/511034918.db2.gz HMCLVRWWIMSBAE-QPJJXVBHSA-N 0 0 359.451 2.778 20 10 FFCDRN CC(C)[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nncn1C ZINC000286908990 511035284 /nfs/dbraw/zinc/03/52/84/511035284.db2.gz MDUWJFGHQCLLNA-QGZVFWFLSA-N 0 0 357.458 2.596 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccc(C(N)=O)c(Cl)n2)C2CC2)cc1 ZINC000287451057 511049771 /nfs/dbraw/zinc/04/97/71/511049771.db2.gz GOUIBHWBVAPCBC-UHFFFAOYSA-N 0 0 372.856 2.705 20 10 FFCDRN COc1cc(N(C)Cc2ccc([S@@](C)=O)cc2)c([N+](=O)[O-])cc1OC ZINC000271016311 511058137 /nfs/dbraw/zinc/05/81/37/511058137.db2.gz 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/nfs/dbraw/zinc/56/98/72/511569872.db2.gz NKNUNJFQCICWHI-UHFFFAOYSA-N 0 0 366.469 2.766 20 10 FFCDRN CCCCO[C@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000299268413 511571974 /nfs/dbraw/zinc/57/19/74/511571974.db2.gz SMOKUUKGCKKCQF-CQSZACIVSA-N 0 0 352.450 2.608 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCC1CCOCC1 ZINC000292389928 511579158 /nfs/dbraw/zinc/57/91/58/511579158.db2.gz HNMCZGRKOIKSGH-UHFFFAOYSA-N 0 0 354.516 2.721 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(N3CCOCC3)cc2)cc1F ZINC000299314490 511589260 /nfs/dbraw/zinc/58/92/60/511589260.db2.gz GPUAVLQHFXOPDD-UHFFFAOYSA-N 0 0 357.429 2.658 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCc3c(C)noc3Cl)CC2)cc1 ZINC000299319231 511590595 /nfs/dbraw/zinc/59/05/95/511590595.db2.gz GAVQFCCCRYRJDV-UHFFFAOYSA-N 0 0 363.845 2.926 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C1CCN(CC(F)F)CC1 ZINC000280762909 511593275 /nfs/dbraw/zinc/59/32/75/511593275.db2.gz LSABFFYSKRKHQA-UHFFFAOYSA-N 0 0 352.425 2.864 20 10 FFCDRN Cc1cc(C(=O)NCCNC(=O)OC(C)(C)C)c(C)n1-c1ccccn1 ZINC000299334194 511596734 /nfs/dbraw/zinc/59/67/34/511596734.db2.gz IPAMUBFKGNPDES-UHFFFAOYSA-N 0 0 358.442 2.744 20 10 FFCDRN COC(=O)c1cnc(SC[C@H](O)COCc2ccccc2F)s1 ZINC000296127663 511628841 /nfs/dbraw/zinc/62/88/41/511628841.db2.gz LRXSFUPAHWRRMB-LLVKDONJSA-N 0 0 357.428 2.739 20 10 FFCDRN CCCc1nc(C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)co1 ZINC000273906187 511650684 /nfs/dbraw/zinc/65/06/84/511650684.db2.gz TUWWWXTWLZATGG-UHFFFAOYSA-N 0 0 366.801 2.802 20 10 FFCDRN Cc1ccc([C@@H](C)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c(O)c1C ZINC000284237206 511652193 /nfs/dbraw/zinc/65/21/93/511652193.db2.gz DWVAFWCNBKXWSO-CQSZACIVSA-N 0 0 355.438 2.739 20 10 FFCDRN CCN(CC)C(=O)COc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000299552638 511662977 /nfs/dbraw/zinc/66/29/77/511662977.db2.gz XYOSYYDUZKJTRL-UHFFFAOYSA-N 0 0 371.437 2.961 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CCn1cnc2ccccc2c1=O ZINC000299621357 511665198 /nfs/dbraw/zinc/66/51/98/511665198.db2.gz ITWJSHQHSUVNLT-UHFFFAOYSA-N 0 0 365.433 2.931 20 10 FFCDRN CN(C)c1ccc(CNc2ccc(C(=O)Nc3nncs3)cn2)cc1 ZINC000301376203 511696532 /nfs/dbraw/zinc/69/65/32/511696532.db2.gz XSUVKMKPGQUMOQ-UHFFFAOYSA-N 0 0 354.439 2.864 20 10 FFCDRN CN(CCOc1ccc(F)cc1)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301615734 511698731 /nfs/dbraw/zinc/69/87/31/511698731.db2.gz VJYVVPTUROCLNO-UHFFFAOYSA-N 0 0 361.329 2.580 20 10 FFCDRN Cc1ncc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(C2CC2)n1 ZINC000281139696 511734433 /nfs/dbraw/zinc/73/44/33/511734433.db2.gz FTXGKOYZKGFKLE-UHFFFAOYSA-N 0 0 366.465 2.771 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1ccccc1 ZINC000274202756 511753378 /nfs/dbraw/zinc/75/33/78/511753378.db2.gz RSFVTCNQYAFVPD-QGZVFWFLSA-N 0 0 360.479 2.743 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1CCC(=O)[C@@H]1C ZINC000281256956 511777269 /nfs/dbraw/zinc/77/72/69/511777269.db2.gz QNWXVANQFVKAKQ-VXGBXAGGSA-N 0 0 367.829 2.553 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@@]2(CCCO2)[C@H]1C1CC1 ZINC000296555377 511795278 /nfs/dbraw/zinc/79/52/78/511795278.db2.gz WKSDLZPGEBLOKU-CTNGQTDRSA-N 0 0 353.466 2.916 20 10 FFCDRN O=C(CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccccn1 ZINC000274668747 511905458 /nfs/dbraw/zinc/90/54/58/511905458.db2.gz OXKCMSHOWBKJBB-KRWDZBQOSA-N 0 0 368.433 2.958 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)Cc1nc(N)c2ccccc2n1 ZINC000281609056 511907584 /nfs/dbraw/zinc/90/75/84/511907584.db2.gz ZAVKGGBDDRVPST-UHFFFAOYSA-N 0 0 363.465 2.681 20 10 FFCDRN Cc1ccc(C(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)c(O)c1O ZINC000281845713 511987657 /nfs/dbraw/zinc/98/76/57/511987657.db2.gz XQCYBSUSOPJISG-MRXNPFEDSA-N 0 0 370.405 2.576 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1NC(=O)C1CC1 ZINC000293517338 511993815 /nfs/dbraw/zinc/99/38/15/511993815.db2.gz PZRAJTLAFOZGGD-GFCCVEGCSA-N 0 0 354.406 2.807 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccc2c(c1)OCO2 ZINC000293567296 512012592 /nfs/dbraw/zinc/01/25/92/512012592.db2.gz VIVGLVBHVAZDED-GFCCVEGCSA-N 0 0 357.406 2.852 20 10 FFCDRN CC(=O)N(c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1)C1CC1 ZINC000297152958 512038936 /nfs/dbraw/zinc/03/89/36/512038936.db2.gz GHXWCQZVJYPIED-UHFFFAOYSA-N 0 0 369.421 2.977 20 10 FFCDRN CCOC(=O)[C@@H](NCc1cc(OC)ccc1O)c1ccc(OC)c(F)c1 ZINC000275132677 512051078 /nfs/dbraw/zinc/05/10/78/512051078.db2.gz MJKHYIGXCTYRJL-SFHVURJKSA-N 0 0 363.385 2.943 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1cccc(O)c1 ZINC000275158657 512060376 /nfs/dbraw/zinc/06/03/76/512060376.db2.gz QVGVMAUMYZXDNZ-UHFFFAOYSA-N 0 0 369.465 2.625 20 10 FFCDRN COc1ccc(-c2noc(CCCC(=O)NCc3ccc(N)cc3)n2)cc1 ZINC000297211488 512063479 /nfs/dbraw/zinc/06/34/79/512063479.db2.gz NKRBZNAEGNZTQV-UHFFFAOYSA-N 0 0 366.421 2.967 20 10 FFCDRN CCn1cc([C@H](C)NC(=O)NCc2cccc(Br)c2O)cn1 ZINC000297221550 512066148 /nfs/dbraw/zinc/06/61/48/512066148.db2.gz ZFYTWBBTQTUYCR-JTQLQIEISA-N 0 0 367.247 2.932 20 10 FFCDRN CCn1cc([C@H](C)NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cn1 ZINC000297236144 512072108 /nfs/dbraw/zinc/07/21/08/512072108.db2.gz RXAFEZKKXAHSNF-FSNWXROXSA-N 0 0 354.454 2.630 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)cc1OC ZINC000366588582 512096422 /nfs/dbraw/zinc/09/64/22/512096422.db2.gz ZKXYPEZYSWVWNG-ZJNRKIDTSA-N 0 0 366.414 2.775 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c(O)c1 ZINC000373707382 512466625 /nfs/dbraw/zinc/46/66/25/512466625.db2.gz ROYPQAYFISDKBK-HNNXBMFYSA-N 0 0 374.462 2.773 20 10 FFCDRN CN(c1ccc(CNC(=O)N2CC[C@@H](CC(N)=O)C2)cc1)C1CCCCC1 ZINC000367875587 512700970 /nfs/dbraw/zinc/70/09/70/512700970.db2.gz CPKDULQGWSZANJ-KRWDZBQOSA-N 0 0 372.513 2.862 20 10 FFCDRN Cn1ccnc1[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000372307742 512807366 /nfs/dbraw/zinc/80/73/66/512807366.db2.gz MULCLSGGVSYPRM-KRWDZBQOSA-N 0 0 353.470 2.719 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCO[C@H](c2ncon2)C1 ZINC000368609827 513023915 /nfs/dbraw/zinc/02/39/15/513023915.db2.gz BLBRIJLNAFTMDF-SFHVURJKSA-N 0 0 366.421 2.999 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c1 ZINC000370723171 513071090 /nfs/dbraw/zinc/07/10/90/513071090.db2.gz SHLXVSLBNDBXCM-IBGZPJMESA-N 0 0 370.430 2.646 20 10 FFCDRN Cc1ccc([C@@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1 ZINC000374921233 513074239 /nfs/dbraw/zinc/07/42/39/513074239.db2.gz STKWANKOELLTIL-OAHLLOKOSA-N 0 0 374.462 2.702 20 10 FFCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C\c1cnn(CC(F)F)c1 ZINC000431176876 513845008 /nfs/dbraw/zinc/84/50/08/513845008.db2.gz DUHMRSNNFWCLPW-VZUCSPMQSA-N 0 0 373.319 2.711 20 10 FFCDRN Cc1oc2ncn(C)c(=O)c2c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471223878 514804603 /nfs/dbraw/zinc/80/46/03/514804603.db2.gz KTBJVKIIVFIBGB-UHFFFAOYSA-N 0 0 364.405 2.565 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnc2c(C)cccn2c1=O ZINC000471231954 514807520 /nfs/dbraw/zinc/80/75/20/514807520.db2.gz PKJYIMGJZHHXSI-UHFFFAOYSA-N 0 0 360.417 2.733 20 10 FFCDRN CCSCC[C@H](C)NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000500804577 515866361 /nfs/dbraw/zinc/86/63/61/515866361.db2.gz VVJQXQPNZAINMB-ZDUSSCGKSA-N 0 0 361.511 2.751 20 10 FFCDRN Cc1cc(-c2nc(-c3ccncn3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000500967482 515920639 /nfs/dbraw/zinc/92/06/39/515920639.db2.gz SPQJQCSZOZUZQY-UHFFFAOYSA-N 0 0 363.402 2.718 20 10 FFCDRN CC(=O)N1CCC[C@@H](CNC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000474754522 516182657 /nfs/dbraw/zinc/18/26/57/516182657.db2.gz RYYFBBAJCXMRMJ-INIZCTEOSA-N 0 0 356.470 2.544 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H](C)CCc1ccco1 ZINC000555714925 517082398 /nfs/dbraw/zinc/08/23/98/517082398.db2.gz WTPXQGYQVITTEI-CQSZACIVSA-N 0 0 367.449 2.833 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnc(OCC2CC2)cn1 ZINC000574344463 519110356 /nfs/dbraw/zinc/11/03/56/519110356.db2.gz QTFJJTVXXUOZKC-UHFFFAOYSA-N 0 0 350.422 2.996 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000611658838 521268272 /nfs/dbraw/zinc/26/82/72/521268272.db2.gz ZYHDHFURZNNQHQ-WOJBJXKFSA-N 0 0 368.433 2.635 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000608250421 521638507 /nfs/dbraw/zinc/63/85/07/521638507.db2.gz GHAZHUKJSVSXRT-UHFFFAOYSA-N 0 0 359.813 2.770 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000526074793 562266154 /nfs/dbraw/zinc/26/61/54/562266154.db2.gz VVONDPRTDSFCBQ-UHFFFAOYSA-N 0 0 367.331 2.992 20 10 FFCDRN Cc1cccc2c1ncc(-c1nn[nH]n1)c2NCc1ccc(N(C)C)cc1 ZINC000737410375 599122661 /nfs/dbraw/zinc/12/26/61/599122661.db2.gz SASJRYFIHUTYNS-UHFFFAOYSA-N 0 0 359.437 2.823 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820427263 599395966 /nfs/dbraw/zinc/39/59/66/599395966.db2.gz RDEMTCUHJSEQPF-VIFPVBQESA-N 0 0 374.788 2.985 20 10 FFCDRN O=C([O-])N1CCC(CC[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000740496851 602050527 /nfs/dbraw/zinc/05/05/27/602050527.db2.gz HAKPHQRVSSZOIH-UHFFFAOYSA-N 0 0 365.449 2.532 20 10 FFCDRN C[C@@H]([NH2+]CCC1CCN(C(=O)[O-])CC1)c1ccc(N2CCOCC2)cc1 ZINC000739030444 602051816 /nfs/dbraw/zinc/05/18/16/602051816.db2.gz ANCKELSWWWVPDD-MRXNPFEDSA-N 0 0 361.486 2.954 20 10 FFCDRN O=C([O-])N1CCC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000739925450 603245864 /nfs/dbraw/zinc/24/58/64/603245864.db2.gz AVIOLTFJLGEGPR-OAHLLOKOSA-N 0 0 362.430 2.817 20 10 FFCDRN C[C@H]([NH2+]CC(C)(C)NC(=O)[O-])c1ccc(N2CCOCC2)cc1Cl ZINC000825486320 605106018 /nfs/dbraw/zinc/10/60/18/605106018.db2.gz WOZMBGMDUBDMFH-LBPRGKRZSA-N 0 0 355.866 2.873 20 10 FFCDRN COc1ccc(N(C)CCCOc2cccc(-c3nn[nH]n3)c2)c(OC)c1 ZINC000826209198 607753808 /nfs/dbraw/zinc/75/38/08/607753808.db2.gz QODGIELHPFOMBZ-UHFFFAOYSA-N 0 0 369.425 2.789 20 10 FFCDRN O=C([O-])N1CC[C@H]([NH2+][C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000831947691 605857361 /nfs/dbraw/zinc/85/73/61/605857361.db2.gz JTKSCRTUZWXLBJ-OLZOCXBDSA-N 0 0 355.385 2.599 20 10 FFCDRN COc1cc(O)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CCCN2C(=O)[O-])cc1OC ZINC000833887384 605989053 /nfs/dbraw/zinc/98/90/53/605989053.db2.gz GHIPYQNTPFXUFA-GJZGRUSLSA-N 0 0 364.442 2.906 20 10 FFCDRN Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1O ZINC000833897906 605992755 /nfs/dbraw/zinc/99/27/55/605992755.db2.gz PGAZCMDTQOEEND-GXFFZTMASA-N 0 0 357.248 2.941 20 10 FFCDRN C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cccc(Br)c1[O-] ZINC000825977133 608525237 /nfs/dbraw/zinc/52/52/37/608525237.db2.gz YEUITDZPRJWTBF-UHFFFAOYSA-N 0 0 374.242 2.967 20 10 FFCDRN Oc1cccc(Cl)c1CN1CCO[C@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511075 608854747 /nfs/dbraw/zinc/85/47/47/608854747.db2.gz AZGHLUYDVLAPGO-KRWDZBQOSA-N 0 0 371.828 2.799 20 10 FFCDRN CCN(CC)C(=O)CCC(=O)Nc1sc2c(c1C(=O)OC)CCC2 ZINC000152979592 728770051 /nfs/dbraw/zinc/77/00/51/728770051.db2.gz PLCDRIMYFWIWJK-UHFFFAOYSA-N 0 0 352.456 2.611 20 10 FFCDRN CC(=O)N[C@@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000158872343 728895729 /nfs/dbraw/zinc/89/57/29/728895729.db2.gz SILSJMFXRJRICX-HNNXBMFYSA-N 0 0 362.813 2.635 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000161162367 728929577 /nfs/dbraw/zinc/92/95/77/728929577.db2.gz QUMUTDPEHBNMLG-QMMMGPOBSA-N 0 0 361.341 2.858 20 10 FFCDRN Cn1cc(C(=O)NCc2c(O)ccc3c2CCCC3)c(C(F)(F)F)n1 ZINC000743715783 735317087 /nfs/dbraw/zinc/31/70/87/735317087.db2.gz AVWFSZWHKCRTMQ-UHFFFAOYSA-N 0 0 353.344 2.953 20 10 FFCDRN O=c1[nH]ncc(N2CC[C@@H]([NH2+]Cc3cccc(Cl)c3[O-])C2)c1Cl ZINC000898368115 735348606 /nfs/dbraw/zinc/34/86/06/735348606.db2.gz WWSQHHHKRAMEBO-SNVBAGLBSA-N 0 0 355.225 2.563 20 10 FFCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)OCCCO ZINC000744677699 735371706 /nfs/dbraw/zinc/37/17/06/735371706.db2.gz OLQXKZCQCUYTKP-ZRDIBKRKSA-N 0 0 371.505 2.655 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1nc(C)no1 ZINC000745799319 735444888 /nfs/dbraw/zinc/44/48/88/735444888.db2.gz GJTPQVJSEWOMCN-UHFFFAOYSA-N 0 0 369.219 2.578 20 10 FFCDRN Cc1cc(C(=O)Cn2ccnc2S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000746138176 735465220 /nfs/dbraw/zinc/46/52/20/735465220.db2.gz IBOQHJJUODVVJH-UHFFFAOYSA-N 0 0 357.435 2.577 20 10 FFCDRN CCN(C(=O)c1cccc(O)c1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000899267018 735467940 /nfs/dbraw/zinc/46/79/40/735467940.db2.gz 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361.463 2.994 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](O)c1c(F)cccc1Cl ZINC000779528391 738468922 /nfs/dbraw/zinc/46/89/22/738468922.db2.gz HOGSDPOACXHVFS-KEDPEKRHSA-N 0 0 351.761 2.753 20 10 FFCDRN CCn1ncc(Cl)c1C(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000857146691 730381172 /nfs/dbraw/zinc/38/11/72/730381172.db2.gz CYYZPMFYFGWRAR-UHFFFAOYSA-N 0 0 366.824 2.667 20 10 FFCDRN O=C(NCC[C@@H]1CCCOC1)NCc1ccc(N2CCSCC2)cc1 ZINC000858154692 730418035 /nfs/dbraw/zinc/41/80/35/730418035.db2.gz PFDQMOKOOFDGDQ-KRWDZBQOSA-N 0 0 363.527 2.856 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCC2CCN(CC(F)(F)F)CC2)c1 ZINC000858377053 730424230 /nfs/dbraw/zinc/42/42/30/730424230.db2.gz ROFUNPAULXGPEP-UHFFFAOYSA-N 0 0 359.392 2.774 20 10 FFCDRN C[C@@H]([NH2+][C@@H](CO)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000858434718 730425710 /nfs/dbraw/zinc/42/57/10/730425710.db2.gz NOOHHDWGCLNIJS-PELKAZGASA-N 0 0 374.666 2.926 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C)c1 ZINC000858508947 730427570 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CCCNC(=O)[C@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862237468 730679705 /nfs/dbraw/zinc/67/97/05/730679705.db2.gz QFQMTJKZWDQJQG-LBPRGKRZSA-N 0 0 355.276 2.893 20 10 FFCDRN CN(C)c1cc(F)c(CN(C)[C@@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000862249074 730681681 /nfs/dbraw/zinc/68/16/81/730681681.db2.gz WOERASICADTUGJ-WBVHZDCISA-N 0 0 360.470 2.818 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCS(=O)(=O)c3ccccc3C2)cc1F ZINC000862330759 730688831 /nfs/dbraw/zinc/68/88/31/730688831.db2.gz DHMSSEAHXKUFBD-UHFFFAOYSA-N 0 0 366.433 2.820 20 10 FFCDRN CCOC(=O)[C@H](NC(=O)C1=CC(=O)CS1)[C@@H](O)c1ccc(Cl)cc1 ZINC000862334002 730689207 /nfs/dbraw/zinc/68/92/07/730689207.db2.gz QSRSPBIMOHFCHX-KGLIPLIRSA-N 0 0 369.826 2.502 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1F ZINC000862347659 730690604 /nfs/dbraw/zinc/69/06/04/730690604.db2.gz KBMJIJOUBHSUBR-QGZVFWFLSA-N 0 0 350.413 2.700 20 10 FFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000862536502 730707478 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CC(C)OCc1cc(NS(=O)(=O)CCOCC2CCC2)ccc1O ZINC000872372432 731758044 /nfs/dbraw/zinc/75/80/44/731758044.db2.gz YOTMHRSSCYXQBP-UHFFFAOYSA-N 0 0 357.472 2.876 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3coc(C(F)(F)F)n3)CC2)cc1 ZINC000873778629 731962944 /nfs/dbraw/zinc/96/29/44/731962944.db2.gz DHMAVXILHXSCJO-UHFFFAOYSA-N 0 0 355.316 2.664 20 10 FFCDRN CC[C@@H](C[C@H](C)O)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000875101547 732128046 /nfs/dbraw/zinc/12/80/46/732128046.db2.gz BRIGXFRRVKSRAD-HOCLYGCPSA-N 0 0 351.516 2.589 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000875375272 732149458 /nfs/dbraw/zinc/14/94/58/732149458.db2.gz ZMGRHLXWUDXXIO-RDBSUJKOSA-N 0 0 355.529 2.960 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(C)c(O)c2O)cc1OC(F)F ZINC000780890542 738585991 /nfs/dbraw/zinc/58/59/91/738585991.db2.gz XLNVGMHPZVXPFC-UHFFFAOYSA-N 0 0 353.321 2.946 20 10 FFCDRN CCOC(=O)c1sc([C@H](C)NC(=O)c2ccc(C)c(O)c2O)nc1C ZINC000780968017 738591115 /nfs/dbraw/zinc/59/11/15/738591115.db2.gz ZQGOUWJDMMBQPN-JTQLQIEISA-N 0 0 364.423 2.839 20 10 FFCDRN Cc1ccc(CNc2ccc(F)c(N3CCCS3(=O)=O)c2)c(O)c1 ZINC000876871129 732290253 /nfs/dbraw/zinc/29/02/53/732290253.db2.gz QBORYFAGEJGXFP-UHFFFAOYSA-N 0 0 350.415 2.992 20 10 FFCDRN CCC1(CC)CN(Cc2ccc(N3CCC(O)CC3)cc2)CC[S@]1=O ZINC000877401015 732357395 /nfs/dbraw/zinc/35/73/95/732357395.db2.gz ZIHGIJJBYIYNMI-RUZDIDTESA-N 0 0 364.555 2.771 20 10 FFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000877530781 732381604 /nfs/dbraw/zinc/38/16/04/732381604.db2.gz XMQKXUGULAYWHD-CYBMUJFWSA-N 0 0 357.241 2.759 20 10 FFCDRN COC(=O)CN(Cc1nc(C2CCC2)no1)Cc1cc(Cl)ccc1O ZINC000878242832 732503417 /nfs/dbraw/zinc/50/34/17/732503417.db2.gz QWMWRUWBVOWKJD-UHFFFAOYSA-N 0 0 365.817 2.871 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926632223 738639044 /nfs/dbraw/zinc/63/90/44/738639044.db2.gz YWDAVXAKZZQSJX-SUHUHFCYSA-N 0 0 367.243 2.545 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1 ZINC000781902604 738669721 /nfs/dbraw/zinc/66/97/21/738669721.db2.gz RBWGKXDRHYAEEV-OAHLLOKOSA-N 0 0 369.303 2.760 20 10 FFCDRN Cc1cc2c(ncnc2N2CCN(C(=O)C3=CC(=O)CS3)CC2)s1 ZINC000782020686 738680911 /nfs/dbraw/zinc/68/09/11/738680911.db2.gz XSSBZFFRXPLFCV-UHFFFAOYSA-N 0 0 360.464 2.729 20 10 FFCDRN CC(C)O[C@@]1(CS(=O)(=O)Nc2ccc(O)c(C(C)C)c2)CCOC1 ZINC000882799791 733296781 /nfs/dbraw/zinc/29/67/81/733296781.db2.gz ONXQUJCEONGWRI-KRWDZBQOSA-N 0 0 357.472 2.841 20 10 FFCDRN COc1cc([C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])ccc1OCCO ZINC000882917017 733311232 /nfs/dbraw/zinc/31/12/32/733311232.db2.gz BMQTWTYCJHWDCT-NSHDSACASA-N 0 0 353.365 2.901 20 10 FFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000883015732 733321159 /nfs/dbraw/zinc/32/11/59/733321159.db2.gz AWQHGOXKAKFVES-CQSZACIVSA-N 0 0 371.767 2.918 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000883822999 733444767 /nfs/dbraw/zinc/44/47/67/733444767.db2.gz QGDLRWDYVMKQOZ-HNNXBMFYSA-N 0 0 368.861 2.821 20 10 FFCDRN Cc1nc(Cl)cc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 ZINC000884694093 733550191 /nfs/dbraw/zinc/55/01/91/733550191.db2.gz AKPWWWZNAZWKLR-UHFFFAOYSA-N 0 0 359.861 2.752 20 10 FFCDRN O=C(CCOc1cccc(Cl)c1)OCC(=O)c1ccc(O)c(O)c1 ZINC000782800138 738755764 /nfs/dbraw/zinc/75/57/64/738755764.db2.gz YZNABVNCCVXQQN-UHFFFAOYSA-N 0 0 350.754 2.946 20 10 FFCDRN CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Cl)cc(C(C)=O)c1O ZINC000886962893 733865536 /nfs/dbraw/zinc/86/55/36/733865536.db2.gz GTELXYDDKLMFKT-GDBMZVCRSA-N 0 0 369.845 2.839 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000888295521 734034125 /nfs/dbraw/zinc/03/41/25/734034125.db2.gz NCJDIPVMWIMYIW-MRXNPFEDSA-N 0 0 359.392 2.517 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@H](O)Cc1ccccc1F ZINC000888565565 734072559 /nfs/dbraw/zinc/07/25/59/734072559.db2.gz NOWILXCNGSMXQK-ZDUSSCGKSA-N 0 0 369.487 2.667 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCCCN1C(=O)c1ccco1 ZINC000890758156 734336373 /nfs/dbraw/zinc/33/63/73/734336373.db2.gz RYFVBQIRIIHXPG-CQSZACIVSA-N 0 0 362.813 2.950 20 10 FFCDRN CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890757287 734336424 /nfs/dbraw/zinc/33/64/24/734336424.db2.gz BEMQKYAGDZERDP-OCCSQVGLSA-N 0 0 352.862 2.947 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000890759420 734336756 /nfs/dbraw/zinc/33/67/56/734336756.db2.gz AZDLADXVAVCHQE-QGZVFWFLSA-N 0 0 360.841 2.563 20 10 FFCDRN COCC[C@@](C)(O)C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708124971 734362614 /nfs/dbraw/zinc/36/26/14/734362614.db2.gz KGFHCTKOIYIBCV-CYBMUJFWSA-N 0 0 352.656 2.685 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cc[n+]([O-])cc2)cc1 ZINC000728838942 734545687 /nfs/dbraw/zinc/54/56/87/734545687.db2.gz BGLPMZDZQFSQBZ-UHFFFAOYSA-N 0 0 353.344 2.591 20 10 FFCDRN Cc1nnc(CNCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)s1 ZINC000892620779 734581666 /nfs/dbraw/zinc/58/16/66/734581666.db2.gz CUZLPYKJOIWZSD-VXGBXAGGSA-N 0 0 350.463 2.889 20 10 FFCDRN Cc1cc(Br)ccc1NC(=O)CNC(=O)C1=CC(=O)CS1 ZINC000731864287 734701559 /nfs/dbraw/zinc/70/15/59/734701559.db2.gz TVVUSDHXYACMNK-UHFFFAOYSA-N 0 0 369.240 2.893 20 10 FFCDRN C[C@H]1CN(Cc2csc(NC(=O)C3=CC(=O)CS3)n2)C[C@H](C)O1 ZINC000731867628 734702193 /nfs/dbraw/zinc/70/21/93/734702193.db2.gz XOUMQIBTPDAVPK-UWVGGRQHSA-N 0 0 353.469 2.772 20 10 FFCDRN CCCCNS(=O)(=O)c1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000732264109 734728634 /nfs/dbraw/zinc/72/86/34/734728634.db2.gz PFNHINZBVMVIFK-UHFFFAOYSA-N 0 0 354.453 2.784 20 10 FFCDRN CN(CCOc1ccc(Cl)cc1)C(=O)COC(=O)C1=CC(=O)CS1 ZINC000732352934 734736565 /nfs/dbraw/zinc/73/65/65/734736565.db2.gz AEOKYATWGYNSBP-UHFFFAOYSA-N 0 0 369.826 2.801 20 10 FFCDRN CC(C)[C@@H](C(=O)NCCCSc1nccs1)N1C[C@@H](C)O[C@H](C)C1 ZINC000733878603 734855288 /nfs/dbraw/zinc/85/52/88/734855288.db2.gz BHJVFXOVVOXOAK-KFWWJZLASA-N 0 0 371.572 2.875 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1 ZINC000734017331 734867650 /nfs/dbraw/zinc/86/76/50/734867650.db2.gz CXFJMEMTKGAKED-UHFFFAOYSA-N 0 0 363.435 2.513 20 10 FFCDRN COCc1ncc2c(n1)CCN(Cc1cc(Br)ccc1O)C2 ZINC000895414274 735003233 /nfs/dbraw/zinc/00/32/33/735003233.db2.gz CFYSAEVZHRPWKG-UHFFFAOYSA-N 0 0 364.243 2.649 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2c(C)cc(C)cc2Cl)c1O ZINC000737283443 735005682 /nfs/dbraw/zinc/00/56/82/735005682.db2.gz AGLMJAVNHRVCJG-UHFFFAOYSA-N 0 0 362.813 2.926 20 10 FFCDRN C[C@H]1CSCCN1C(=O)c1ccccc1SCC(=O)N1CCCC1 ZINC000737712196 735014136 /nfs/dbraw/zinc/01/41/36/735014136.db2.gz QAVHUTNGZMTRKL-AWEZNQCLSA-N 0 0 364.536 2.979 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)N(C)CC1CC1 ZINC000738353966 735028859 /nfs/dbraw/zinc/02/88/59/735028859.db2.gz WSMZMWNLHQSGEF-UHFFFAOYSA-N 0 0 351.516 2.695 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1n[nH]cc1Br ZINC000738477899 735033938 /nfs/dbraw/zinc/03/39/38/735033938.db2.gz VDPNGPBRDSTGIZ-UHFFFAOYSA-N 0 0 366.263 2.546 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CC(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000740085344 735067391 /nfs/dbraw/zinc/06/73/91/735067391.db2.gz ABNRDWNUOHNJPZ-UHFFFAOYSA-N 0 0 352.431 2.710 20 10 FFCDRN CS(=O)(=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000740900219 735097531 /nfs/dbraw/zinc/09/75/31/735097531.db2.gz MVYUSPMGVIFPQA-NEPJUHHUSA-N 0 0 362.289 2.600 20 10 FFCDRN Cc1cc(Br)cc(CNCc2noc3c2COCC3)c1O ZINC000897366256 735225578 /nfs/dbraw/zinc/22/55/78/735225578.db2.gz XJJGUYBKEQQHMX-UHFFFAOYSA-N 0 0 353.216 2.814 20 10 FFCDRN COCCOCc1cc(C(=O)NCc2c(O)cccc2F)ccc1F ZINC000928705532 738897635 /nfs/dbraw/zinc/89/76/35/738897635.db2.gz KYDWHKIOOLNFBI-UHFFFAOYSA-N 0 0 351.349 2.763 20 10 FFCDRN Nc1ccc(OCc2cn(C[C@@H]3CCC[C@H](C(F)(F)F)O3)nn2)cc1 ZINC000900635078 735672240 /nfs/dbraw/zinc/67/22/40/735672240.db2.gz JPFHKUJJJVWDHT-LSDHHAIUSA-N 0 0 356.348 2.939 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@H]2C(N)=O)c1 ZINC000787422125 739135545 /nfs/dbraw/zinc/13/55/45/739135545.db2.gz AIACUODFUOXTHP-JKOKRWQUSA-N 0 0 353.260 2.549 20 10 FFCDRN O=C(NCc1csc(CNC(=O)c2ccccc2)n1)C1=CC(=O)CS1 ZINC000750250628 735778928 /nfs/dbraw/zinc/77/89/28/735778928.db2.gz JIZLHHNFSSHHCE-UHFFFAOYSA-N 0 0 373.459 2.770 20 10 FFCDRN CCC[C@H](O)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000750282506 735780300 /nfs/dbraw/zinc/78/03/00/735780300.db2.gz JGTVEHVYVWNNJG-HNNXBMFYSA-N 0 0 356.413 2.924 20 10 FFCDRN COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C)c(O)c1O ZINC000750619013 735804949 /nfs/dbraw/zinc/80/49/49/735804949.db2.gz ODFOOTLLVRXWDJ-UHFFFAOYSA-N 0 0 365.769 2.864 20 10 FFCDRN CCOCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC)cc1 ZINC000901704354 735823506 /nfs/dbraw/zinc/82/35/06/735823506.db2.gz RMYIBLXXGBKBEG-UHFFFAOYSA-N 0 0 367.423 2.617 20 10 FFCDRN COc1cc(C)c(S(=O)(=O)N(C)Cc2ccccc2O)cc1OC ZINC000751235336 735855953 /nfs/dbraw/zinc/85/59/53/735855953.db2.gz INIQLTKSNQJRKB-UHFFFAOYSA-N 0 0 351.424 2.539 20 10 FFCDRN Cc1nc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(C)s1 ZINC000751786651 735920230 /nfs/dbraw/zinc/92/02/30/735920230.db2.gz NQZPCYMWHNCUFV-UHFFFAOYSA-N 0 0 361.467 2.641 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(F)cc1[O-] ZINC000903435149 736094453 /nfs/dbraw/zinc/09/44/53/736094453.db2.gz PJDNWCURBQNKFX-GXSJLCMTSA-N 0 0 352.797 2.610 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1O ZINC000753855973 736101523 /nfs/dbraw/zinc/10/15/23/736101523.db2.gz LJWIFGYJGVNXOC-HZPDHXFCSA-N 0 0 371.886 2.790 20 10 FFCDRN COC(=O)CN(Cc1ccnc(N(C)C)c1)Cc1cc(Cl)ccc1O ZINC000754063109 736121282 /nfs/dbraw/zinc/12/12/82/736121282.db2.gz ADTAWKANQIGXLD-UHFFFAOYSA-N 0 0 363.845 2.682 20 10 FFCDRN C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cc(Br)c(F)cc1[O-] ZINC000756533438 736339379 /nfs/dbraw/zinc/33/93/79/736339379.db2.gz HZVDSVDKZKIRJN-MNOVXSKESA-N 0 0 361.255 2.665 20 10 FFCDRN C[C@@H]([NH2+]CCCN1CCOC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756539872 736339536 /nfs/dbraw/zinc/33/95/36/736339536.db2.gz UVTZPDDYSZZSLF-SECBINFHSA-N 0 0 361.211 2.787 20 10 FFCDRN CCS(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756537136 736339628 /nfs/dbraw/zinc/33/96/28/736339628.db2.gz WUXROMAQAPZMSV-MRVPVSSYSA-N 0 0 370.696 2.893 20 10 FFCDRN C[C@H]([NH2+]CCN1CCO[C@H](C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756546867 736341090 /nfs/dbraw/zinc/34/10/90/736341090.db2.gz TWCCTPREZOHBJL-MNOVXSKESA-N 0 0 361.255 2.665 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756733125 736356802 /nfs/dbraw/zinc/35/68/02/736356802.db2.gz OTEXMLKRAWVHDB-PUXPGTEJSA-N 0 0 371.250 2.954 20 10 FFCDRN COCCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756733435 736356810 /nfs/dbraw/zinc/35/68/10/736356810.db2.gz PNLMLDMZKBNOBO-VHSXEESVSA-N 0 0 350.228 2.996 20 10 FFCDRN C[C@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000757659276 736417420 /nfs/dbraw/zinc/41/74/20/736417420.db2.gz LLWPGWKNWSACIB-XPTSAGLGSA-N 0 0 362.239 2.732 20 10 FFCDRN COc1ccc(N(C)C[C@H](O)COc2ccc3c(c2)OCO3)cc1Cl ZINC000757855744 736430913 /nfs/dbraw/zinc/43/09/13/736430913.db2.gz IAMYBLMAQSQZQF-ZDUSSCGKSA-N 0 0 365.813 2.953 20 10 FFCDRN COc1ccc(N(C)CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)cc1F ZINC000757853259 736430957 /nfs/dbraw/zinc/43/09/57/736430957.db2.gz ZIBBSSGEYBPGGM-DOMZBBRYSA-N 0 0 351.422 2.675 20 10 FFCDRN COCCOc1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1C ZINC000758169005 736457962 /nfs/dbraw/zinc/45/79/62/736457962.db2.gz JZOYYZTXAXUZGA-UHFFFAOYSA-N 0 0 355.387 2.666 20 10 FFCDRN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1F ZINC000758169702 736458150 /nfs/dbraw/zinc/45/81/50/736458150.db2.gz YEXAFAXVZGEGBB-UHFFFAOYSA-N 0 0 359.762 2.772 20 10 FFCDRN COc1cc(N2CCN(C(=O)CCCSC)CC2)cc(OC)c1OC ZINC000759222323 736555354 /nfs/dbraw/zinc/55/53/54/736555354.db2.gz KIGVHDOLORLZPW-UHFFFAOYSA-N 0 0 368.499 2.504 20 10 FFCDRN O=C(NCc1ccccc1O)c1cc(Br)cn(C2CC2)c1=O ZINC000907056505 736577645 /nfs/dbraw/zinc/57/76/45/736577645.db2.gz MPOGAWDIWDEATO-UHFFFAOYSA-N 0 0 363.211 2.581 20 10 FFCDRN C[C@H](COCC(F)(F)F)NC(=O)NCCCSc1nccs1 ZINC000759575018 736577959 /nfs/dbraw/zinc/57/79/59/736577959.db2.gz NAGBGZPNNMZPOM-SECBINFHSA-N 0 0 357.423 2.892 20 10 FFCDRN Cn1ncc(Cl)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000797447839 740247265 /nfs/dbraw/zinc/24/72/65/740247265.db2.gz JMHANWFOPMGCHA-UHFFFAOYSA-N 0 0 369.874 2.913 20 10 FFCDRN COc1cc(Cl)cc(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1O ZINC000761202852 736706964 /nfs/dbraw/zinc/70/69/64/736706964.db2.gz PLDKKQDAYLLICJ-CQSZACIVSA-N 0 0 357.834 2.597 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(c3nc(C)cc(C)n3)CC2)c1O ZINC000761215984 736708321 /nfs/dbraw/zinc/70/83/21/736708321.db2.gz NQZKURNPJLGVRA-UHFFFAOYSA-N 0 0 362.861 2.783 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(C(=O)C3CC3)CC2(C)C)c1O ZINC000761225267 736709600 /nfs/dbraw/zinc/70/96/00/736709600.db2.gz AYCRVMLJBDSOKF-UHFFFAOYSA-N 0 0 352.862 2.887 20 10 FFCDRN CC(C)(C)C(=O)C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000761984297 736779586 /nfs/dbraw/zinc/77/95/86/736779586.db2.gz YEZRTLOPMONFON-AWEZNQCLSA-N 0 0 352.862 2.741 20 10 FFCDRN CCS[C@H]1CC[C@H](N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000762569301 736838317 /nfs/dbraw/zinc/83/83/17/736838317.db2.gz LXBGQPSEOIEVOE-STQMWFEESA-N 0 0 372.512 2.510 20 10 FFCDRN COC(=O)C[C@@H]1CSCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000762633151 736848535 /nfs/dbraw/zinc/84/85/35/736848535.db2.gz JGJSMEZJCCFVCM-CYBMUJFWSA-N 0 0 357.859 2.729 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1ncccc1S(=O)(=O)NC(C)C ZINC000763035569 736893859 /nfs/dbraw/zinc/89/38/59/736893859.db2.gz LLBKSTOHFNKIJU-UHFFFAOYSA-N 0 0 362.499 2.755 20 10 FFCDRN CCOc1cccc(/C=C2/SC(=S)N(CCCC(=O)OC)C2=O)n1 ZINC000763108659 736902783 /nfs/dbraw/zinc/90/27/83/736902783.db2.gz OVKNFEVLPBSUMZ-ZRDIBKRKSA-N 0 0 366.464 2.635 20 10 FFCDRN C[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC[S@]1=O ZINC000763487981 736941531 /nfs/dbraw/zinc/94/15/31/736941531.db2.gz BSXKHBDFOIWSCX-ODCWNRFASA-N 0 0 365.499 2.928 20 10 FFCDRN COc1nc2ccccc2cc1/C=C1/SC(N2CCOCC2)=NC1=O ZINC000764107881 736993012 /nfs/dbraw/zinc/99/30/12/736993012.db2.gz VJQSRYLTQFLNBO-RVDMUPIBSA-N 0 0 355.419 2.546 20 10 FFCDRN CC[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1CCCO1 ZINC000764798209 737050369 /nfs/dbraw/zinc/05/03/69/737050369.db2.gz BKLAVMIRSSQLPR-CHWSQXEVSA-N 0 0 357.248 2.912 20 10 FFCDRN CCOC(=O)c1cnc(NCc2cccc(Br)c2O)cn1 ZINC000764935575 737065245 /nfs/dbraw/zinc/06/52/45/737065245.db2.gz XVYIQWZHONRDQK-UHFFFAOYSA-N 0 0 352.188 2.734 20 10 FFCDRN CC(C)(C)[C@@H](O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000765107189 737083787 /nfs/dbraw/zinc/08/37/87/737083787.db2.gz BUCBBZWGKDEOMV-WFASDCNBSA-N 0 0 356.413 2.780 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(OCC(F)F)n2)c1 ZINC000765325628 737109074 /nfs/dbraw/zinc/10/90/74/737109074.db2.gz XUXPEOFYMDWDIX-UHFFFAOYSA-N 0 0 353.325 2.761 20 10 FFCDRN Nc1ccc(C(=O)NCc2cccc(Br)c2O)cc1[N+](=O)[O-] ZINC000765726649 737149700 /nfs/dbraw/zinc/14/97/00/737149700.db2.gz IHWMLFZJMKARCS-UHFFFAOYSA-N 0 0 366.171 2.575 20 10 FFCDRN NC(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2O)cc1 ZINC000765754297 737154332 /nfs/dbraw/zinc/15/43/32/737154332.db2.gz VFEISLQYOGCSCR-UHFFFAOYSA-N 0 0 364.199 2.575 20 10 FFCDRN O=C(Cc1csc2nccn12)NCc1cccc(Br)c1O ZINC000765766486 737156352 /nfs/dbraw/zinc/15/63/52/737156352.db2.gz YDXWPIVYGOTBPG-UHFFFAOYSA-N 0 0 366.240 2.723 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCS(=O)(=O)CC2CC2)cc1 ZINC000766610975 737245569 /nfs/dbraw/zinc/24/55/69/737245569.db2.gz OGJNTKONYOHBGL-UHFFFAOYSA-N 0 0 360.479 2.649 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2csc(CO)n2)cc1 ZINC000912110611 737266205 /nfs/dbraw/zinc/26/62/05/737266205.db2.gz QFDNBHMQMINKME-UHFFFAOYSA-N 0 0 373.400 2.906 20 10 FFCDRN OCc1ccnc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000767196954 737300622 /nfs/dbraw/zinc/30/06/22/737300622.db2.gz ZNUJOMJTRGLNJC-GFCCVEGCSA-N 0 0 350.369 2.651 20 10 FFCDRN CCN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCN(CC(F)(F)F)C1 ZINC000912488311 737311551 /nfs/dbraw/zinc/31/15/51/737311551.db2.gz JMYATTYPQINVQU-AGLBCWCQSA-N 0 0 358.360 2.596 20 10 FFCDRN CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1nccs1 ZINC000912709695 737332867 /nfs/dbraw/zinc/33/28/67/737332867.db2.gz SOBOABUIXSEMFM-UHFFFAOYSA-N 0 0 359.495 2.698 20 10 FFCDRN Cc1cc(CNC(=O)[C@]2(C)CCCS2(=O)=O)c(C)n1-c1ccccc1 ZINC000913167631 737383853 /nfs/dbraw/zinc/38/38/53/737383853.db2.gz ZIDDHSBFXRWWFP-IBGZPJMESA-N 0 0 360.479 2.678 20 10 FFCDRN CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cc(Cl)cc(F)c1[O-] ZINC000768532752 737430017 /nfs/dbraw/zinc/43/00/17/737430017.db2.gz POXZZYHNVQNHPW-UHFFFAOYSA-N 0 0 362.829 2.504 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)O[C@@H]1CCOC1 ZINC000914199378 737526668 /nfs/dbraw/zinc/52/66/68/737526668.db2.gz HMTYYOJTPXFLDD-SWLSCSKDSA-N 0 0 356.369 2.772 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cccc(OC)c2OC(F)F)c1 ZINC000769529715 737539632 /nfs/dbraw/zinc/53/96/32/737539632.db2.gz NPQGIOVNERWVQZ-UHFFFAOYSA-N 0 0 353.321 2.941 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)c1[O-] ZINC000769802166 737568273 /nfs/dbraw/zinc/56/82/73/737568273.db2.gz SFBMUYYMWXAOHN-ZWKOTPCHSA-N 0 0 366.889 2.981 20 10 FFCDRN Cc1ccc(O)c(CN2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000770352488 737618454 /nfs/dbraw/zinc/61/84/54/737618454.db2.gz NWWWSLFFQVFSLW-WMLDXEAASA-N 0 0 350.459 2.815 20 10 FFCDRN O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Br)c2[O-])CN1 ZINC000770379991 737620803 /nfs/dbraw/zinc/62/08/03/737620803.db2.gz MHCXGVKSMZFAOL-JSGCOSHPSA-N 0 0 353.260 2.645 20 10 FFCDRN Cc1cc(CC(=O)N2CC[C@@H](C(N)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000915746949 737653741 /nfs/dbraw/zinc/65/37/41/737653741.db2.gz WNNYOPCYJHLSBD-CQSZACIVSA-N 0 0 359.857 2.624 20 10 FFCDRN Cc1cc(CC(=O)N2CC[C@H](C(N)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000915746941 737653893 /nfs/dbraw/zinc/65/38/93/737653893.db2.gz WNNYOPCYJHLSBD-AWEZNQCLSA-N 0 0 359.857 2.624 20 10 FFCDRN O=S(=O)(Cc1noc2c1CCCC2)NCc1cc(Cl)ccc1O ZINC000916704261 737720902 /nfs/dbraw/zinc/72/09/02/737720902.db2.gz IJCYAYNJUXWYKQ-UHFFFAOYSA-N 0 0 356.831 2.532 20 10 FFCDRN O=S(=O)(NCCCSc1nccs1)c1ccc2c(c1)CCCO2 ZINC000771753642 737751894 /nfs/dbraw/zinc/75/18/94/737751894.db2.gz KRDJSAASFQUICF-UHFFFAOYSA-N 0 0 370.521 2.929 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000771763332 737753417 /nfs/dbraw/zinc/75/34/17/737753417.db2.gz WJCLTIQTDIKLPH-LBPRGKRZSA-N 0 0 363.435 2.765 20 10 FFCDRN O=S(=O)(CC1CCC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000771763270 737753464 /nfs/dbraw/zinc/75/34/64/737753464.db2.gz VUCFHJBYUPPAAP-INIZCTEOSA-N 0 0 372.918 2.730 20 10 FFCDRN COc1cccc2c1O[C@@H](c1cc(O)cc(Br)c1O)NC2=O ZINC000917500688 737761366 /nfs/dbraw/zinc/76/13/66/737761366.db2.gz FXCZDFWJEIBFHH-HNNXBMFYSA-N 0 0 366.167 2.690 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc2c(c1)CCO2 ZINC000771899647 737764705 /nfs/dbraw/zinc/76/47/05/737764705.db2.gz PWDFPVXQICRMAY-UHFFFAOYSA-N 0 0 358.781 2.949 20 10 FFCDRN Cc1sc2nc(COC(=O)c3ccc(C)c(O)c3O)nc(N)c2c1C ZINC000771939074 737768115 /nfs/dbraw/zinc/76/81/15/737768115.db2.gz UCMQJGGLMQYUKH-UHFFFAOYSA-N 0 0 359.407 2.967 20 10 FFCDRN Cc1nc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)sc1C ZINC000771943086 737768615 /nfs/dbraw/zinc/76/86/15/737768615.db2.gz JLCUZSOAUFNURD-UHFFFAOYSA-N 0 0 351.497 2.621 20 10 FFCDRN CC(C)(C)SCC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000917833470 737778581 /nfs/dbraw/zinc/77/85/81/737778581.db2.gz OPUIFWQTDGFUOB-HNNXBMFYSA-N 0 0 363.527 2.536 20 10 FFCDRN C/C(=C/C(C)(C)C)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000772276080 737799252 /nfs/dbraw/zinc/79/92/52/737799252.db2.gz LPPCEQHJIFYJGM-SQFISAMPSA-N 0 0 364.511 2.530 20 10 FFCDRN C[C@H](NCC(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1Cl ZINC000772982014 737861485 /nfs/dbraw/zinc/86/14/85/737861485.db2.gz RHWTUQPDHRWOOL-AWEZNQCLSA-N 0 0 365.905 2.886 20 10 FFCDRN C[C@@H](NC(=O)c1ccccc1SCC(N)=O)c1ccc(N(C)C)cc1 ZINC000773016654 737863936 /nfs/dbraw/zinc/86/39/36/737863936.db2.gz ALBKCXRELSCHOJ-CYBMUJFWSA-N 0 0 357.479 2.821 20 10 FFCDRN FC(F)Oc1ccc(CNC(=S)Nc2ccc3c(c2)OCCO3)nc1 ZINC000773195610 737879626 /nfs/dbraw/zinc/87/96/26/737879626.db2.gz DYPZWEYUMODEOH-UHFFFAOYSA-N 0 0 367.377 2.941 20 10 FFCDRN C[C@@H](CCc1ccccc1)OC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000920637409 737918522 /nfs/dbraw/zinc/91/85/22/737918522.db2.gz CVIBMSYBTVCRGE-ZDUSSCGKSA-N 0 0 363.435 2.942 20 10 FFCDRN Cc1cc(Cl)ncc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773859564 737939973 /nfs/dbraw/zinc/93/99/73/737939973.db2.gz VZZRWJHRCKSYOS-LBPRGKRZSA-N 0 0 360.845 2.925 20 10 FFCDRN CO[C@@H]1CCC[C@@H]1CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000774684385 738014826 /nfs/dbraw/zinc/01/48/26/738014826.db2.gz YQPUHGPQUSESTI-SJLPKXTDSA-N 0 0 363.527 2.854 20 10 FFCDRN COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000775347755 738086003 /nfs/dbraw/zinc/08/60/03/738086003.db2.gz RCSIYRFLCUMANZ-WDEREUQCSA-N 0 0 371.821 2.910 20 10 FFCDRN C[C@@H](NC(=O)c1cnn(C)c1Br)c1ccc(N(C)C)cc1 ZINC000775410425 738090892 /nfs/dbraw/zinc/09/08/92/738090892.db2.gz LELPNBLYCQEMCB-SNVBAGLBSA-N 0 0 351.248 2.740 20 10 FFCDRN CC[C@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000775486465 738096557 /nfs/dbraw/zinc/09/65/57/738096557.db2.gz BLEIGSWDSKAJLV-HNNXBMFYSA-N 0 0 374.312 2.904 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O=C(Nc1cccn(CC(F)(F)F)c1=O)N1Cc2cccc(O)c2C1 ZINC000930340039 739090265 /nfs/dbraw/zinc/09/02/65/739090265.db2.gz CCRKQFOFZFYNAO-UHFFFAOYSA-N 0 0 353.300 2.664 20 10 FFCDRN Cn1cc([C@H](NC(=O)NCc2cccc(Cl)c2O)C(F)(F)F)cn1 ZINC000931099886 739212208 /nfs/dbraw/zinc/21/22/08/739212208.db2.gz IEBFCMFVEQVOBI-LBPRGKRZSA-N 0 0 362.739 2.882 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)c1[O-] ZINC000932023966 739375507 /nfs/dbraw/zinc/37/55/07/739375507.db2.gz FUBKPTQBJBWTRK-UGSOOPFHSA-N 0 0 366.845 2.959 20 10 FFCDRN Cc1nsc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000790057644 739414072 /nfs/dbraw/zinc/41/40/72/739414072.db2.gz GHVPQPGQWOQSHC-LLVKDONJSA-N 0 0 368.409 2.847 20 10 FFCDRN Cc1cc(C(=O)OCCC2CS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000790629047 739477125 /nfs/dbraw/zinc/47/71/25/739477125.db2.gz CBTWPTPQFODYAI-UHFFFAOYSA-N 0 0 365.426 2.825 20 10 FFCDRN O=C(NCCCSc1nccs1)c1ncc(Br)cn1 ZINC000932684193 739493202 /nfs/dbraw/zinc/49/32/02/739493202.db2.gz 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ZINC000795593281 740042107 /nfs/dbraw/zinc/04/21/07/740042107.db2.gz YCWPVWBZAXEJRM-ZDUSSCGKSA-N 0 0 361.467 2.617 20 10 FFCDRN C[C@@H]1CCC[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H]1C ZINC000796455515 740144864 /nfs/dbraw/zinc/14/48/64/740144864.db2.gz MHJPSBLBLAYHDW-JHJVBQTASA-N 0 0 354.472 2.566 20 10 FFCDRN CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)CC)CC1)c1ccc(F)cc1[O-] ZINC000796937101 740197856 /nfs/dbraw/zinc/19/78/56/740197856.db2.gz SDECAABFUXAREB-MRXNPFEDSA-N 0 0 358.479 2.634 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2csc3ccccc23)c(O)c1 ZINC000797387613 740241810 /nfs/dbraw/zinc/24/18/10/740241810.db2.gz MLZRBSDBFPWVMB-UHFFFAOYSA-N 0 0 356.403 2.870 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCC2([S@@](C)=O)CCC2)cc1 ZINC000798105488 740304546 /nfs/dbraw/zinc/30/45/46/740304546.db2.gz XTPAIUBVARRDCR-RUZDIDTESA-N 0 0 365.543 2.975 20 10 FFCDRN C[C@H]1CN(c2ccc(CNS(=O)(=O)CC(C)(C)C)cc2F)C[C@H](C)O1 ZINC000799763906 740448654 /nfs/dbraw/zinc/44/86/54/740448654.db2.gz KSFLHXLYAGALMT-KBPBESRZSA-N 0 0 372.506 2.905 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C3(C(N)=O)CCC3)cc2Cl)C1 ZINC000800570724 740534233 /nfs/dbraw/zinc/53/42/33/740534233.db2.gz CGIBINAFSXOKLS-CYBMUJFWSA-N 0 0 363.889 2.848 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CN(C)CCO3)cc2Cl)C1 ZINC000800571067 740534411 /nfs/dbraw/zinc/53/44/11/740534411.db2.gz DUUXTKWPOSHWIR-RDTXWAMCSA-N 0 0 365.905 2.523 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCC(=O)N3C)cc2Cl)C1 ZINC000800571174 740534631 /nfs/dbraw/zinc/53/46/31/740534631.db2.gz GLURMAAVZIKEGR-SUMWQHHRSA-N 0 0 363.889 2.813 20 10 FFCDRN COC[C@](C)(O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800572168 740534747 /nfs/dbraw/zinc/53/47/47/740534747.db2.gz SYBYSNQWADMLCF-UGSOOPFHSA-N 0 0 354.878 2.590 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCCN1CCSCC1 ZINC000802147401 740679012 /nfs/dbraw/zinc/67/90/12/740679012.db2.gz GFEDCAFUTXQIIY-UHFFFAOYSA-N 0 0 351.516 2.753 20 10 FFCDRN CCc1[nH]ccc1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000803030622 740759888 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ZINC000805084764 740936682 /nfs/dbraw/zinc/93/66/82/740936682.db2.gz VYSPAYSXSIXWND-UHFFFAOYSA-N 0 0 368.231 2.801 20 10 FFCDRN CC(C)n1ccc(CNC(=O)NCc2cc(Br)ccc2O)n1 ZINC000805143197 740945523 /nfs/dbraw/zinc/94/55/23/740945523.db2.gz FXXJHFISKJSSST-UHFFFAOYSA-N 0 0 367.247 2.932 20 10 FFCDRN CC1(O)CCC(NC(=O)NCc2cc(Br)ccc2O)CC1 ZINC000805189569 740948581 /nfs/dbraw/zinc/94/85/81/740948581.db2.gz WSZBWPPJKHWVIZ-UHFFFAOYSA-N 0 0 357.248 2.648 20 10 FFCDRN C[C@@H](CCNC(=O)NCc1cc(Cl)cc(Cl)c1[O-])[S@](C)=O ZINC000805217549 740950457 /nfs/dbraw/zinc/95/04/57/740950457.db2.gz MQIWIWMQGGLURX-PPRQPISWSA-N 0 0 353.271 2.655 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCC[C@@H]1C1CCCC1 ZINC000806276675 741049459 /nfs/dbraw/zinc/04/94/59/741049459.db2.gz IXESRZXAQRCBBL-CQSZACIVSA-N 0 0 367.540 2.923 20 10 FFCDRN CC[C@@H]1CCCCCN1C(=O)C(=O)NCCCSc1nccs1 ZINC000806279313 741049824 /nfs/dbraw/zinc/04/98/24/741049824.db2.gz LETZGMSJIKBEOS-CYBMUJFWSA-N 0 0 355.529 2.923 20 10 FFCDRN CN(C[C@H]1CC=CCC1)C(=O)C(=O)NCCCSc1nccs1 ZINC000806278456 741049857 /nfs/dbraw/zinc/04/98/57/741049857.db2.gz SNUGQDTZLPXZDZ-ZDUSSCGKSA-N 0 0 353.513 2.556 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cc(C)c(F)cc2Cl)c1 ZINC000806897968 741094204 /nfs/dbraw/zinc/09/42/04/741094204.db2.gz QYIPUNPOOVQIFV-UHFFFAOYSA-N 0 0 366.776 2.757 20 10 FFCDRN CNC(=O)CC[C@H]1CCCCN1C(=O)NCCCSc1nccs1 ZINC000806958384 741098418 /nfs/dbraw/zinc/09/84/18/741098418.db2.gz HICDIPXMMPMCRG-CYBMUJFWSA-N 0 0 370.544 2.716 20 10 FFCDRN CCNc1nc(C(=O)NCc2cc(Br)ccc2O)cs1 ZINC000807737496 741153230 /nfs/dbraw/zinc/15/32/30/741153230.db2.gz VQAVXOCENHSPAA-UHFFFAOYSA-N 0 0 356.245 2.973 20 10 FFCDRN Fc1cc(CNCc2nccc(C(F)F)n2)ccc1N1CCOCC1 ZINC000808435863 741225509 /nfs/dbraw/zinc/22/55/09/741225509.db2.gz ZVHGOUZCZKJOAP-UHFFFAOYSA-N 0 0 352.360 2.680 20 10 FFCDRN CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])[C@H]2C1 ZINC000808445532 741226466 /nfs/dbraw/zinc/22/64/66/741226466.db2.gz 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COc1c(O)c(CN2CC(O)(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000811509454 741531614 /nfs/dbraw/zinc/53/16/14/741531614.db2.gz YMPHZIHBAGGTGZ-UHFFFAOYSA-N 0 0 364.785 2.666 20 10 FFCDRN Fc1cc(CN2CC[C@H](n3cc(Cl)cn3)C2)ccc1N1CCOCC1 ZINC000811520241 741533342 /nfs/dbraw/zinc/53/33/42/741533342.db2.gz MBVOJJWRTVJRLE-INIZCTEOSA-N 0 0 364.852 2.959 20 10 FFCDRN CC(C)OCc1cc(NS(=O)(=O)CCOCC(F)(F)F)ccc1O ZINC000811706118 741550572 /nfs/dbraw/zinc/55/05/72/741550572.db2.gz XZTVXNGJXSVFGG-UHFFFAOYSA-N 0 0 371.377 2.638 20 10 FFCDRN Cc1ccc(NC(=S)NNc2ccc(S(=O)(=O)N(C)C)cc2)cc1 ZINC000812261798 741600748 /nfs/dbraw/zinc/60/07/48/741600748.db2.gz SIBSEZVDFCPOSE-UHFFFAOYSA-N 0 0 364.496 2.559 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCN1CC(F)(F)F ZINC000812523018 741628538 /nfs/dbraw/zinc/62/85/38/741628538.db2.gz RENIZKIFRAICDA-HNNXBMFYSA-N 0 0 356.388 2.914 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1ncc(Cl)cc1C ZINC000812966959 741665758 /nfs/dbraw/zinc/66/57/58/741665758.db2.gz 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O=[N+]([O-])c1ccccc1OC[C@H](O)CNc1ccccc1OCCF ZINC000819488137 742396902 /nfs/dbraw/zinc/39/69/02/742396902.db2.gz JMIQCRATXJIGBR-CYBMUJFWSA-N 0 0 350.346 2.795 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3nn(C)c(C)c3Cl)C2)cc1 ZINC000819586915 742411466 /nfs/dbraw/zinc/41/14/66/742411466.db2.gz FXCGALHIWYASDS-CYBMUJFWSA-N 0 0 362.861 2.647 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C(F)(F)c1nccs1 ZINC000819698361 742424613 /nfs/dbraw/zinc/42/46/13/742424613.db2.gz LKMPGFXDBVTERV-UHFFFAOYSA-N 0 0 370.377 2.532 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(Cl)nc1C ZINC000819696761 742424636 /nfs/dbraw/zinc/42/46/36/742424636.db2.gz COJDYQFPKGHDBZ-UHFFFAOYSA-N 0 0 362.813 2.955 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/c1scnc1C ZINC000819696870 742424729 /nfs/dbraw/zinc/42/47/29/742424729.db2.gz GPTLXHGOSABPLU-CMDGGOBGSA-N 0 0 360.435 2.762 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN(CC(F)(F)F)C1 ZINC000819755998 742428851 /nfs/dbraw/zinc/42/88/51/742428851.db2.gz PJWKCMDACFMEOB-LBPRGKRZSA-N 0 0 365.392 2.768 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1ccnn1C(F)F ZINC000822553327 742750963 /nfs/dbraw/zinc/75/09/63/742750963.db2.gz HQOTYSLGXQBCJN-UHFFFAOYSA-N 0 0 352.410 2.761 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1(S(=O)(=O)CC)CC1 ZINC000823215810 742854762 /nfs/dbraw/zinc/85/47/62/742854762.db2.gz QFMRLKQIAUEWLB-UHFFFAOYSA-N 0 0 368.499 2.671 20 10 FFCDRN C[C@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C(F)(F)F ZINC000823688930 742962147 /nfs/dbraw/zinc/96/21/47/742962147.db2.gz XRYRNGCIDPJCRX-VIFPVBQESA-N 0 0 367.318 2.551 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H](O)Cc1cccc(F)c1 ZINC000824501155 743093591 /nfs/dbraw/zinc/09/35/91/743093591.db2.gz DWLUCZIJDLYVFD-CQSZACIVSA-N 0 0 354.219 2.987 20 10 FFCDRN CCOC(=O)[C@H]1CSCCN1Cc1ccc(Br)cc1O ZINC000824549201 743102563 /nfs/dbraw/zinc/10/25/63/743102563.db2.gz YYJDKCRGCDHBAL-GFCCVEGCSA-N 0 0 360.273 2.635 20 10 FFCDRN COc1ccc(CNS(C)(=O)=O)cc1NCc1ccc(F)cc1C ZINC000824935967 743182121 /nfs/dbraw/zinc/18/21/21/743182121.db2.gz QKLXODKTINSNQQ-UHFFFAOYSA-N 0 0 352.431 2.804 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1C(F)(F)F ZINC000825498266 743282766 /nfs/dbraw/zinc/28/27/66/743282766.db2.gz ADUVXGHASQBLPM-CHWSQXEVSA-N 0 0 360.351 2.601 20 10 FFCDRN CCOC(=O)[C@@H](NCc1ccc(Br)cc1O)C1CCOCC1 ZINC000825671131 743309113 /nfs/dbraw/zinc/30/91/13/743309113.db2.gz GDTOOIKTHSEBNS-HNNXBMFYSA-N 0 0 372.259 2.603 20 10 FFCDRN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Cl)c(C)cc2O)cn1 ZINC000825692818 743312015 /nfs/dbraw/zinc/31/20/15/743312015.db2.gz OFHKMEQLVUKCME-UPCLLVRISA-N 0 0 367.902 2.876 20 10 FFCDRN CCN(CCSC)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000825728469 743319164 /nfs/dbraw/zinc/31/91/64/743319164.db2.gz WTWMEHWASDDFFY-UHFFFAOYSA-N 0 0 355.479 2.557 20 10 FFCDRN O=C(NCc1nc(C(F)(F)F)n2c1CCCC2)c1cccc(O)c1O ZINC000826623659 743408566 /nfs/dbraw/zinc/40/85/66/743408566.db2.gz UOGHNXKAAQRZRX-UHFFFAOYSA-N 0 0 355.316 2.579 20 10 FFCDRN CO[C@@H](CS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C(C)C ZINC000827694654 744961897 /nfs/dbraw/zinc/96/18/97/744961897.db2.gz JKUVEFAIFDPQLO-YJBOKZPZSA-N 0 0 356.532 2.582 20 10 FFCDRN CCCONC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000828246471 745047217 /nfs/dbraw/zinc/04/72/17/745047217.db2.gz DKRBVUBOSLWKPV-UHFFFAOYSA-N 0 0 361.364 2.683 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1C(F)(F)F ZINC000828519539 745080374 /nfs/dbraw/zinc/08/03/74/745080374.db2.gz RUGJWBQZKIXLNU-GHMZBOCLSA-N 0 0 365.735 2.746 20 10 FFCDRN CO[C@H](CS(=O)(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000829768041 745257136 /nfs/dbraw/zinc/25/71/36/745257136.db2.gz JJOZPJWRTGLLQE-LJQANCHMSA-N 0 0 362.495 2.902 20 10 FFCDRN COc1cc(N2CCN(C(=O)OC3CCC3)CC2)cc(OC)c1OC ZINC000831102043 745481348 /nfs/dbraw/zinc/48/13/48/745481348.db2.gz WKFLEMHMUVKOBO-UHFFFAOYSA-N 0 0 350.415 2.524 20 10 FFCDRN CCOC(=O)[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(OC)c(F)c1 ZINC000832385897 745689810 /nfs/dbraw/zinc/68/98/10/745689810.db2.gz LCPVZUZOMBTOCG-AWEZNQCLSA-N 0 0 353.371 2.636 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc2c(c1)OCCCCO2 ZINC000834412616 745833675 /nfs/dbraw/zinc/83/36/75/745833675.db2.gz LRSJKTHMRGMOPZ-FOWTUZBSSA-N 0 0 360.435 2.541 20 10 FFCDRN C[C@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)cc(F)c1[O-] ZINC000834891610 745921289 /nfs/dbraw/zinc/92/12/89/745921289.db2.gz PLIUKKMIQMCAJO-WCFLWFBJSA-N 0 0 373.266 2.808 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](C)CS2(=O)=O)c(C)n1-c1ccc(F)cc1 ZINC000835570904 746040022 /nfs/dbraw/zinc/04/00/22/746040022.db2.gz UXWJGXNOABWZDK-LLVKDONJSA-N 0 0 350.415 2.655 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)NOC3CCC3)cc2F)C[C@H](C)O1 ZINC000836240318 746172242 /nfs/dbraw/zinc/17/22/42/746172242.db2.gz DTOCKYPPKUKLOQ-STQMWFEESA-N 0 0 351.422 2.723 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CC12CCOCC2 ZINC000836242790 746173254 /nfs/dbraw/zinc/17/32/54/746173254.db2.gz PQIZJTXIVONAHE-QGZVFWFLSA-N 0 0 361.511 2.608 20 10 FFCDRN CO[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H]1C ZINC000836243158 746173265 /nfs/dbraw/zinc/17/32/65/746173265.db2.gz UWXZKVKMDVBGNH-QAPCUYQASA-N 0 0 363.527 2.806 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)NCC1(CF)CCOCC1 ZINC000836598695 746264902 /nfs/dbraw/zinc/26/49/02/746264902.db2.gz HWKHFRNWAZDHBC-UHFFFAOYSA-N 0 0 350.434 2.837 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ncccc1Cl ZINC000837716054 746505189 /nfs/dbraw/zinc/50/51/89/746505189.db2.gz YKGUPMUJJRJKMV-UHFFFAOYSA-N 0 0 367.783 2.780 20 10 FFCDRN CCc1occc1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837714672 746505243 /nfs/dbraw/zinc/50/52/43/746505243.db2.gz OASMJQHVGWUBBD-UHFFFAOYSA-N 0 0 350.365 2.887 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CC[S@](=O)C(C)(C)CC3)ccc21 ZINC000838031367 746562498 /nfs/dbraw/zinc/56/24/98/746562498.db2.gz GNFYLBMSWCTBOQ-VWLOTQADSA-N 0 0 363.527 2.512 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CO)CC2)cc1F ZINC000838392330 746629881 /nfs/dbraw/zinc/62/98/81/746629881.db2.gz TWTHVOVMTAVSKG-OAHLLOKOSA-N 0 0 351.466 2.976 20 10 FFCDRN CC1(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCC1 ZINC000838506447 746653831 /nfs/dbraw/zinc/65/38/31/746653831.db2.gz HVQSPXMPTWQUOR-UHFFFAOYSA-N 0 0 353.413 2.791 20 10 FFCDRN CC1(C)CCN(C(=O)NCCCSc2nccs2)CC[S@]1=O ZINC000838514528 746656055 /nfs/dbraw/zinc/65/60/55/746656055.db2.gz QSVIZSQZRLRKIS-JOCHJYFZSA-N 0 0 361.558 2.568 20 10 FFCDRN CC1=CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000838740144 746703994 /nfs/dbraw/zinc/70/39/94/746703994.db2.gz SPRRFELEZBNRJR-UHFFFAOYSA-N 0 0 351.397 2.663 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000839927737 746962030 /nfs/dbraw/zinc/96/20/30/746962030.db2.gz OKGZJMJXGVKWNE-RDTXWAMCSA-N 0 0 362.857 2.969 20 10 FFCDRN CC(C)(C)c1cc(O)c(O)c(CN2CC(=O)N(CCC(F)(F)F)C2)c1 ZINC000840113461 747005582 /nfs/dbraw/zinc/00/55/82/747005582.db2.gz DKJYIKCSRBJHJS-UHFFFAOYSA-N 0 0 360.376 2.949 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@H](CO)c1ccc(F)cc1 ZINC000840325385 747065739 /nfs/dbraw/zinc/06/57/39/747065739.db2.gz VETUHLZVHCYGAQ-ZDUSSCGKSA-N 0 0 369.487 2.840 20 10 FFCDRN CCc1nnc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000840377232 747078522 /nfs/dbraw/zinc/07/85/22/747078522.db2.gz QYRKXOJIBQHYSS-CYBMUJFWSA-N 0 0 361.515 2.905 20 10 FFCDRN C[C@@H]1C[C@@H](CNC(=O)NCc2cccc(Br)c2O)[C@@H](C)O1 ZINC000840431764 747091487 /nfs/dbraw/zinc/09/14/87/747091487.db2.gz DIYZZWSGAQRZCU-FOGDFJRCSA-N 0 0 357.248 2.767 20 10 FFCDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1csnn1 ZINC000840459306 747099229 /nfs/dbraw/zinc/09/92/29/747099229.db2.gz RQALKKDMSFWGEQ-JSGCOSHPSA-N 0 0 362.455 2.696 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000840482445 747104440 /nfs/dbraw/zinc/10/44/40/747104440.db2.gz XFHULUWFNKJMNI-IUODEOHRSA-N 0 0 361.408 2.557 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000840825569 747192915 /nfs/dbraw/zinc/19/29/15/747192915.db2.gz HIVDBCYMOAMWLX-IUCAKERBSA-N 0 0 361.667 2.985 20 10 FFCDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1COC ZINC000840915946 747223855 /nfs/dbraw/zinc/22/38/55/747223855.db2.gz UIAICCJPDFACSO-UHFFFAOYSA-N 0 0 366.395 2.810 20 10 FFCDRN CSc1nnc(CCCNC(=O)Nc2ccc(N)cc2)n1CC(C)C ZINC000841300509 747314501 /nfs/dbraw/zinc/31/45/01/747314501.db2.gz QUEAOZNWIIUOPD-UHFFFAOYSA-N 0 0 362.503 2.993 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2cc(OC)ccc2F)SC1=S ZINC000841496908 747369880 /nfs/dbraw/zinc/36/98/80/747369880.db2.gz UOXUJMKPWRQELD-LCYFTJDESA-N 0 0 369.439 2.989 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)N(C)[C@H](C)C1CC1 ZINC000841569118 747406006 /nfs/dbraw/zinc/40/60/06/747406006.db2.gz JJOGCTRSOIXYBY-LSDHHAIUSA-N 0 0 353.532 2.557 20 10 FFCDRN CCS(=O)(=O)N1CCC(C[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841753405 747449660 /nfs/dbraw/zinc/44/96/60/747449660.db2.gz SUNUEKHRONRMLQ-LBPRGKRZSA-N 0 0 360.907 2.758 20 10 FFCDRN Cc1cc(C(=O)CSCC2(CO)COC2)c(C)n1-c1ccc(F)cn1 ZINC000842178936 747540057 /nfs/dbraw/zinc/54/00/57/747540057.db2.gz RWBPCBDUPDAFMU-UHFFFAOYSA-N 0 0 364.442 2.553 20 10 FFCDRN CC[C@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H](C)O ZINC000842232739 747552494 /nfs/dbraw/zinc/55/24/94/747552494.db2.gz KARPKROAPSFTFJ-WWGRRREGSA-N 0 0 356.413 2.780 20 10 FFCDRN C[C@H](c1cccc(Cl)c1)N(C)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842241943 747554096 /nfs/dbraw/zinc/55/40/96/747554096.db2.gz MEYPOWZXHZZDLF-CYBMUJFWSA-N 0 0 359.857 2.801 20 10 FFCDRN CCn1cc([C@@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cn1 ZINC000842259805 747559104 /nfs/dbraw/zinc/55/91/04/747559104.db2.gz VNVORNYGEQSZFJ-LLVKDONJSA-N 0 0 362.817 2.787 20 10 FFCDRN CCn1cc([C@H](C)N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cn1 ZINC000842259806 747559121 /nfs/dbraw/zinc/55/91/21/747559121.db2.gz VNVORNYGEQSZFJ-NSHDSACASA-N 0 0 362.817 2.787 20 10 FFCDRN COCc1ncsc1C(=O)OC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842875976 747711637 /nfs/dbraw/zinc/71/16/37/747711637.db2.gz PPIUJFMFVSOENN-ZDUSSCGKSA-N 0 0 362.451 2.981 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@H](C(=O)[O-])C2)c1O ZINC000843039190 747753766 /nfs/dbraw/zinc/75/37/66/747753766.db2.gz BOSBYUZUKRSTOP-BXKDBHETSA-N 0 0 358.232 2.706 20 10 FFCDRN O=S1(=O)C[C@@H](C[NH2+]Cc2cc(Cl)c(F)cc2[O-])Oc2ccccc21 ZINC000843418709 747833062 /nfs/dbraw/zinc/83/30/62/747833062.db2.gz XCUDCEFHLMTCIU-LLVKDONJSA-N 0 0 371.817 2.509 20 10 FFCDRN Cc1cc(C(=O)N2CCOCC2)c(C)n1-c1ccc(Br)cn1 ZINC000843749901 747889106 /nfs/dbraw/zinc/88/91/06/747889106.db2.gz ODNWVKYHUHMPHE-UHFFFAOYSA-N 0 0 364.243 2.724 20 10 FFCDRN Cc1cc(C(=O)NCC[C@@H](C)O)c(C)n1-c1ccc(Br)cn1 ZINC000843802707 747898172 /nfs/dbraw/zinc/89/81/72/747898172.db2.gz LSTCCTHOBQCVMQ-LLVKDONJSA-N 0 0 366.259 2.752 20 10 FFCDRN COc1ccc(N(C)CCN(C)CC(=O)NCc2sccc2C)cc1 ZINC000844400927 748021936 /nfs/dbraw/zinc/02/19/36/748021936.db2.gz IDGVNPSMABAIRX-UHFFFAOYSA-N 0 0 361.511 2.750 20 10 FFCDRN COc1ccc2c(c1)OC[C@@H](NC(=O)NCc1cc(Cl)ccc1O)C2 ZINC000845085184 748176399 /nfs/dbraw/zinc/17/63/99/748176399.db2.gz VJUFGWCBMCXLBO-AWEZNQCLSA-N 0 0 362.813 2.857 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2coc(S(C)(=O)=O)c2)cc1F ZINC000845467262 748263914 /nfs/dbraw/zinc/26/39/14/748263914.db2.gz GFGAKPQQOOAZJR-UHFFFAOYSA-N 0 0 368.430 2.598 20 10 FFCDRN COc1cc(O)c(CN(CC(=O)OC(C)(C)C)CC2CC2)cc1OC ZINC000846053894 748392634 /nfs/dbraw/zinc/39/26/34/748392634.db2.gz XSDIYNGGKNTXPY-UHFFFAOYSA-N 0 0 351.443 2.963 20 10 FFCDRN COC(=O)[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C1CC1 ZINC000846123215 748411812 /nfs/dbraw/zinc/41/18/12/748411812.db2.gz ONASBEMYHUMEGY-QWHCGFSZSA-N 0 0 354.790 2.585 20 10 FFCDRN CC[C@@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000846186128 748425634 /nfs/dbraw/zinc/42/56/34/748425634.db2.gz DSDZWXWWNQFWOO-BXKDBHETSA-N 0 0 367.298 2.774 20 10 FFCDRN CC[N@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)[C@H](C)Cc1ccsc1 ZINC000846258005 748443157 /nfs/dbraw/zinc/44/31/57/748443157.db2.gz FXUOMGBENXOFDO-LLVKDONJSA-N 0 0 360.439 2.648 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CC1(CSC)CC1 ZINC000846266516 748445089 /nfs/dbraw/zinc/44/50/89/748445089.db2.gz HTIPEXHMXPDNGE-UHFFFAOYSA-N 0 0 351.468 2.817 20 10 FFCDRN COC(=O)c1ccc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)s1 ZINC000846445611 748480839 /nfs/dbraw/zinc/48/08/39/748480839.db2.gz BLDXJVWXBKWFOF-UHFFFAOYSA-N 0 0 362.451 2.752 20 10 FFCDRN CC[C@@H](C(=O)NCc1ccc(OC)cc1O)N(C)C(=O)OC(C)(C)C ZINC000846949146 748583840 /nfs/dbraw/zinc/58/38/40/748583840.db2.gz FFNNNAZGBXFVJC-AWEZNQCLSA-N 0 0 352.431 2.663 20 10 FFCDRN COCCN(Cc1cc(Cl)cc(C(C)=O)c1O)C[C@@H](O)C(F)(F)F ZINC000847030039 748601313 /nfs/dbraw/zinc/60/13/13/748601313.db2.gz UKERISINZXCGLK-CYBMUJFWSA-N 0 0 369.767 2.620 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CC4(CC4(F)F)C3)C2)cc1 ZINC000847387736 748690797 /nfs/dbraw/zinc/69/07/97/748690797.db2.gz SZKGXGHJXVXGSW-CYBMUJFWSA-N 0 0 351.397 2.572 20 10 FFCDRN COC(=O)CN(Cc1cnc(Cl)n1C)Cc1cc(Cl)ccc1O ZINC000848884981 749028842 /nfs/dbraw/zinc/02/88/42/749028842.db2.gz PMFBSCSCAUJXGZ-UHFFFAOYSA-N 0 0 358.225 2.608 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1)C1CCCCC1 ZINC000849368788 749114261 /nfs/dbraw/zinc/11/42/61/749114261.db2.gz IKZXUGKUEDCXDB-SFHVURJKSA-N 0 0 354.516 2.767 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1C)C1CCCC1 ZINC000849374634 749118328 /nfs/dbraw/zinc/11/83/28/749118328.db2.gz DTCSADIYZZALOY-SFHVURJKSA-N 0 0 354.516 2.686 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)CCc2ccccc2Cl)c1 ZINC000849376953 749121140 /nfs/dbraw/zinc/12/11/40/749121140.db2.gz AUSULKWUHYPRIZ-UHFFFAOYSA-N 0 0 355.843 2.716 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)C[C@@H]3CCCC3(F)F)C2)cc1 ZINC000849417067 749143324 /nfs/dbraw/zinc/14/33/24/749143324.db2.gz IDYVALRYTPVGAG-UONOGXRCSA-N 0 0 374.453 2.629 20 10 FFCDRN CO[C@H](C[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])[C@@H]1CCOC1 ZINC000850484631 749371725 /nfs/dbraw/zinc/37/17/25/749371725.db2.gz NHACSQMKNZTPRB-GPCCPHFNSA-N 0 0 362.239 2.996 20 10 FFCDRN CCC(CC)CS(=O)(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851844426 749700894 /nfs/dbraw/zinc/70/08/94/749700894.db2.gz XPOBGMRMUVBKBR-UHFFFAOYSA-N 0 0 354.516 2.503 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCCSCC(C)C)C2)cc1 ZINC000852228570 749808247 /nfs/dbraw/zinc/80/82/47/749808247.db2.gz XPJUYPLHUOXSCB-HNNXBMFYSA-N 0 0 351.516 2.962 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)Cc3scnc3C)C2)cc1 ZINC000852452893 749862739 /nfs/dbraw/zinc/86/27/39/749862739.db2.gz DZTXBLAEFYTGKX-AWEZNQCLSA-N 0 0 360.483 2.880 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@]3(C)CC3(F)F)CC2)cc1 ZINC000852583428 749897979 /nfs/dbraw/zinc/89/79/79/749897979.db2.gz WMKUFKGOPZRDDM-KRWDZBQOSA-N 0 0 353.413 2.962 20 10 FFCDRN COC(=O)c1cnc([C@@H]2CCCN(C(=O)Nc3ccc(N)cc3)C2)s1 ZINC000853321997 750048235 /nfs/dbraw/zinc/04/82/35/750048235.db2.gz XJSKBBPDFKTAIG-LLVKDONJSA-N 0 0 360.439 2.923 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](C)[C@H](O)[C@@H](C)C2)cc1F ZINC000853706664 750140332 /nfs/dbraw/zinc/14/03/32/750140332.db2.gz NKACBDXPECWQNV-UOIKSKOESA-N 0 0 351.466 2.830 20 10 FFCDRN Cc1nc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)sc1C ZINC000853791653 750165603 /nfs/dbraw/zinc/16/56/03/750165603.db2.gz OZDFHMNPNCPXRX-UHFFFAOYSA-N 0 0 351.497 2.607 20 10 FFCDRN OC1CCN(c2ccc(CNc3nccnc3OC(F)F)cc2)CC1 ZINC000853955387 750209164 /nfs/dbraw/zinc/20/91/64/750209164.db2.gz MRQJJNJLMPEONK-UHFFFAOYSA-N 0 0 350.369 2.651 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCO[C@@](C)(C(F)F)C2)c([N+](=O)[O-])c1 ZINC000853998576 750222263 /nfs/dbraw/zinc/22/22/63/750222263.db2.gz ZSQYWPWKWDRSSS-MQDFFIGUSA-N 0 0 356.325 2.641 20 10 FFCDRN Cc1cccc(S(=O)(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000068462496 845522239 /nfs/dbraw/zinc/52/22/39/845522239.db2.gz NQIRKSGRKXRQMM-MRXNPFEDSA-N 0 0 360.479 2.871 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccn(C(C)C)n1 ZINC000484813603 887829509 /nfs/dbraw/zinc/82/95/09/887829509.db2.gz VQHZNRCAPMLEKY-UHFFFAOYSA-N 0 0 353.426 2.519 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC3CC4(C3)CO[C@H](C)C4)C2)cc1 ZINC000895650186 970805596 /nfs/dbraw/zinc/80/55/96/970805596.db2.gz HCKMDPSFSPFUKB-DUYRZMBNSA-N 0 0 359.470 2.531 20 10 FFCDRN O=C(CC[C@H]1CC[C@@H](C2OCCO2)O1)NCc1ccc(N2CCCC2)cc1 ZINC000895710590 970872751 /nfs/dbraw/zinc/87/27/51/970872751.db2.gz JLJWLIRBBMEBLO-MOPGFXCFSA-N 0 0 374.481 2.604 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2noc(C)n2)CCCC1 ZINC000651347504 970880534 /nfs/dbraw/zinc/88/05/34/970880534.db2.gz MZDGTDANHOGHAS-UHFFFAOYSA-N 0 0 354.410 2.537 20 10 FFCDRN CCN(CC)C(=O)c1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001174065230 1013051839 /nfs/dbraw/zinc/05/18/39/1013051839.db2.gz VRAQGIZBLDUMAE-UHFFFAOYSA-N 0 0 361.467 2.849 20 10 FFCDRN CCCCN1C[C@@]2(F)CN(Cc3c(O)cccc3Cl)C[C@@]2(F)C1=O ZINC001275838209 1013062650 /nfs/dbraw/zinc/06/26/50/1013062650.db2.gz UFMWXSXYZDMNRO-DLBZAZTESA-N 0 0 358.816 2.920 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCc1nccnc1C ZINC000840379267 971194567 /nfs/dbraw/zinc/19/45/67/971194567.db2.gz JUPYKHHUZHYSLR-OAHLLOKOSA-N 0 0 355.486 2.632 20 10 FFCDRN COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCc2cccc(OC)c2O)cc1 ZINC000896118378 971243746 /nfs/dbraw/zinc/24/37/46/971243746.db2.gz WQYRYRHKAXSECW-SFHVURJKSA-N 0 0 358.438 2.765 20 10 FFCDRN O=C(NC[C@@H]1CC[C@H](O)C1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888587143 1013069308 /nfs/dbraw/zinc/06/93/08/1013069308.db2.gz BJPVSNWITKWUQE-KGLIPLIRSA-N 0 0 351.410 2.679 20 10 FFCDRN Cc1ccc(C[C@@H](CO)NC(=O)NCc2ccc(N3CC=CC3)cc2)cc1 ZINC000188176144 971492774 /nfs/dbraw/zinc/49/27/74/971492774.db2.gz IKBHTVWACPGIJB-FQEVSTJZSA-N 0 0 365.477 2.774 20 10 FFCDRN Cc1cc(=O)n(C)cc1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000162524798 971595427 /nfs/dbraw/zinc/59/54/27/971595427.db2.gz JEFCQILGGSKVTA-UHFFFAOYSA-N 0 0 372.494 2.569 20 10 FFCDRN COc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])c(C)n2)cc1Cn1cccn1 ZINC000871877635 1013096809 /nfs/dbraw/zinc/09/68/09/1013096809.db2.gz PSBDBZRLSRPAGP-UHFFFAOYSA-N 0 0 366.421 2.631 20 10 FFCDRN Cc1ccc(C(=O)NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1O ZINC000780921804 971641301 /nfs/dbraw/zinc/64/13/01/971641301.db2.gz WHVLTKYJZQQYIT-CYBMUJFWSA-N 0 0 364.442 2.783 20 10 FFCDRN CC(C)CNC(=O)c1cccc(N(c2ccc(N)cc2)S(C)(=O)=O)c1 ZINC001174194634 1013107282 /nfs/dbraw/zinc/10/72/82/1013107282.db2.gz JDXLTVMFWIGTQX-UHFFFAOYSA-N 0 0 361.467 2.752 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cnn(-c3ccccc3OC)c2C)c1 ZINC000192541373 971715480 /nfs/dbraw/zinc/71/54/80/971715480.db2.gz PVIDBNJXMKJDAX-UHFFFAOYSA-N 0 0 367.405 2.834 20 10 FFCDRN CCc1cnc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)o1 ZINC000759884077 971891992 /nfs/dbraw/zinc/89/19/92/971891992.db2.gz ANUKMZVVQLWRSH-UHFFFAOYSA-N 0 0 361.442 2.585 20 10 FFCDRN c1cc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc(N2CCOCC2)n1 ZINC001116013322 1032063588 /nfs/dbraw/zinc/06/35/88/1032063588.db2.gz SXQMEWCNJSZSLL-UHFFFAOYSA-N 0 0 352.482 2.808 20 10 FFCDRN COC[C@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888591840 1013129646 /nfs/dbraw/zinc/12/96/46/1013129646.db2.gz HYNCYJJTODRLSU-AWEZNQCLSA-N 0 0 351.410 2.897 20 10 FFCDRN COc1cccc(CN2CCN(C(=O)Cc3ccc(C)cc3)CC2)c1O ZINC000092937510 972093745 /nfs/dbraw/zinc/09/37/45/972093745.db2.gz KLWWAWWOFCHION-UHFFFAOYSA-N 0 0 354.450 2.596 20 10 FFCDRN C[C@H](NC(=O)c1n[nH]c2c1CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000124737879 972356306 /nfs/dbraw/zinc/35/63/06/972356306.db2.gz GNPYDHUMFFMBQI-AWEZNQCLSA-N 0 0 354.454 2.616 20 10 FFCDRN Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC001594373391 958564897 /nfs/dbraw/zinc/56/48/97/958564897.db2.gz XTYQVXSYTSRXON-POZUXBRTSA-N 0 0 368.433 2.778 20 10 FFCDRN CC[C@@H]1[C@@H](NC(=O)C2(C)CC2)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000984977804 972365440 /nfs/dbraw/zinc/36/54/40/972365440.db2.gz BDJIRHYHAOINSF-LSDHHAIUSA-N 0 0 371.441 2.758 20 10 FFCDRN COc1ccc(CN(C)C(=O)CN(C)c2ccc3c(c2)OCO3)cc1F ZINC000121255946 958959189 /nfs/dbraw/zinc/95/91/89/958959189.db2.gz NXBXVLIBGFJDTE-UHFFFAOYSA-N 0 0 360.385 2.658 20 10 FFCDRN CCOc1ccc(NC(=O)CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000120164162 959067896 /nfs/dbraw/zinc/06/78/96/959067896.db2.gz SKOOWZVTFYXPHE-UHFFFAOYSA-N 0 0 370.453 2.589 20 10 FFCDRN Cc1ncsc1CN1CC2(C1)CCCN(C(=O)c1cccc(O)c1O)C2 ZINC001271242105 972403406 /nfs/dbraw/zinc/40/34/06/972403406.db2.gz PDSIFMUXOQJXFY-UHFFFAOYSA-N 0 0 373.478 2.601 20 10 FFCDRN COc1ccc(CN(CCCO)C(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000890644660 959864877 /nfs/dbraw/zinc/86/48/77/959864877.db2.gz WOHAZRBCQYQVKV-UXBLZVDNSA-N 0 0 357.406 2.531 20 10 FFCDRN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2c[nH]ccc2=O)C1 ZINC000683479938 960769497 /nfs/dbraw/zinc/76/94/97/960769497.db2.gz XCLYZKVADOLIDH-UHFFFAOYSA-N 0 0 364.449 2.735 20 10 FFCDRN CC[C@H](C)N1C[C@@]2(F)CN(Cc3ccc(N(C)C)c(C)c3)C[C@@]2(F)C1=O ZINC001275952030 1013221382 /nfs/dbraw/zinc/22/13/82/1013221382.db2.gz RKAVFMBATMQZLZ-RYGJVYDSSA-N 0 0 365.468 2.934 20 10 FFCDRN Cn1ncc2c1CC(C)(C)C[N@H+](Cc1ccc(N3CCOCC3)cc1)C2 ZINC000828018083 961820586 /nfs/dbraw/zinc/82/05/86/961820586.db2.gz DTJOCEJLIIRMFV-UHFFFAOYSA-N 0 0 354.498 2.841 20 10 FFCDRN CCOCCN1CC[C@@]2(CCC[N@H+](Cc3c([O-])cccc3F)CC2)C1=O ZINC001276032216 1013297745 /nfs/dbraw/zinc/29/77/45/1013297745.db2.gz TVEGBOBWCARZQZ-FQEVSTJZSA-N 0 0 364.461 2.772 20 10 FFCDRN CC1(NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCCCC1 ZINC000891086954 961922256 /nfs/dbraw/zinc/92/22/56/961922256.db2.gz IBFCANJSKCOVEI-UHFFFAOYSA-N 0 0 372.513 2.910 20 10 FFCDRN C[C@@H](NC(=O)N[C@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1 ZINC000773421486 1013336543 /nfs/dbraw/zinc/33/65/43/1013336543.db2.gz DRWBSPAMLOACDE-WBVHZDCISA-N 0 0 353.470 2.787 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NOCc1ccccc1 ZINC000050096846 962488358 /nfs/dbraw/zinc/48/83/58/962488358.db2.gz HAYVSZMWUDGWSE-UHFFFAOYSA-N 0 0 369.465 2.826 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)c3nccnc3C)C2)cc1 ZINC000873047863 1013363549 /nfs/dbraw/zinc/36/35/49/1013363549.db2.gz GWYFQPIXCGBAPJ-CVEARBPZSA-N 0 0 369.469 2.680 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C[C@H](c1ccccc1)N1CCOC1=O ZINC000728305711 963139285 /nfs/dbraw/zinc/13/92/85/963139285.db2.gz GUWFTVGPNMIUIT-QGZVFWFLSA-N 0 0 354.406 2.934 20 10 FFCDRN COc1ccc(CNC(=O)NCc2noc3c2CC(C)(C)CC3)c(O)c1 ZINC000873215059 1013430910 /nfs/dbraw/zinc/43/09/10/1013430910.db2.gz PZRIWVQCUODSOD-UHFFFAOYSA-N 0 0 359.426 2.903 20 10 FFCDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588406741 963622383 /nfs/dbraw/zinc/62/23/83/963622383.db2.gz PONPMSYEHYJTIN-WQLSENKSSA-N 0 0 368.433 2.862 20 10 FFCDRN CC[C@@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]21 ZINC000971388240 963721114 /nfs/dbraw/zinc/72/11/14/963721114.db2.gz XFDNBUNXFKPNJH-XNRPHZJLSA-N 0 0 371.441 2.568 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCOc2cc(N)ccc2C1 ZINC000891566233 964496614 /nfs/dbraw/zinc/49/66/14/964496614.db2.gz SSVOWZTUTOJMKX-UHFFFAOYSA-N 0 0 354.454 2.747 20 10 FFCDRN C[C@@H]1CCN(C(=O)C2CC2)[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000983438999 965050338 /nfs/dbraw/zinc/05/03/38/965050338.db2.gz VGVOVSMHAMXONN-WBMJQRKESA-N 0 0 371.441 2.616 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Cn1ncc2cc(C)cnc21 ZINC000891833210 965181042 /nfs/dbraw/zinc/18/10/42/965181042.db2.gz QXDJSUUGSXUCMA-UHFFFAOYSA-N 0 0 351.454 2.854 20 10 FFCDRN CCCC1(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCC1 ZINC000894594097 965507744 /nfs/dbraw/zinc/50/77/44/965507744.db2.gz DOQSUOOLGRGXQH-UHFFFAOYSA-N 0 0 357.498 2.975 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)ccc1F ZINC000894597647 965510608 /nfs/dbraw/zinc/51/06/08/965510608.db2.gz NDSFRQZRWHXFEG-UHFFFAOYSA-N 0 0 369.440 2.766 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](O)Cc1ccccc1 ZINC000121265219 965762307 /nfs/dbraw/zinc/76/23/07/965762307.db2.gz MQKHUSFKEPEVDH-LIRRHRJNSA-N 0 0 359.445 2.683 20 10 FFCDRN Cc1ccnc(N2CCN(C(=O)NCc3ccc(N(C)C)cc3C)CC2)c1 ZINC000141074034 966108853 /nfs/dbraw/zinc/10/88/53/966108853.db2.gz NCAFHACIWCOYNF-UHFFFAOYSA-N 0 0 367.497 2.796 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cnn4c3C[C@H](C)CC4)C2)cc1 ZINC000843608068 966261329 /nfs/dbraw/zinc/26/13/29/966261329.db2.gz LCJTUFZODXFJRB-CVEARBPZSA-N 0 0 368.481 2.730 20 10 FFCDRN C[C@@H](NC(=O)C(=O)Nc1ccc2c(n1)CCCC2)c1ccc(N(C)C)cc1 ZINC000873808491 1013643463 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C[N@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000732188669 998510125 /nfs/dbraw/zinc/51/01/25/998510125.db2.gz LFNYHNNQSDQNPK-KRWDZBQOSA-N 0 0 366.461 2.997 20 10 FFCDRN COCC(COC)OC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC000845492555 998563290 /nfs/dbraw/zinc/56/32/90/998563290.db2.gz FYWKLFDRRQVNKV-UHFFFAOYSA-N 0 0 361.438 2.733 20 10 FFCDRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CC2CCC1CC2 ZINC001144575834 998662316 /nfs/dbraw/zinc/66/23/16/998662316.db2.gz TVQHOGZSQUIKRJ-LFUGVXIPSA-N 0 0 366.483 2.708 20 10 FFCDRN Cc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(=O)n(C)c1 ZINC000766194974 999121568 /nfs/dbraw/zinc/12/15/68/999121568.db2.gz MGDWNPXYMTXQHZ-UHFFFAOYSA-N 0 0 354.454 2.956 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2cnc(N(C)C)n2C)cc1 ZINC000733970323 999169004 /nfs/dbraw/zinc/16/90/04/999169004.db2.gz QBBXQYBDAFCJPO-UHFFFAOYSA-N 0 0 351.454 2.824 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(C(=O)OC)o2)cc1 ZINC000734166896 999218852 /nfs/dbraw/zinc/21/88/52/999218852.db2.gz 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CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C(=O)OC)C1 ZINC000802090481 1019738948 /nfs/dbraw/zinc/73/89/48/1019738948.db2.gz QFKDRQKITYDWAW-MRXNPFEDSA-N 0 0 363.458 2.935 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cc(C(F)F)ncn3)CC2)cc1 ZINC000930308775 1019973826 /nfs/dbraw/zinc/97/38/26/1019973826.db2.gz AAJKXLLOIOLZBX-UHFFFAOYSA-N 0 0 362.380 2.775 20 10 FFCDRN CCCCC1(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CC1 ZINC000930320984 1019978449 /nfs/dbraw/zinc/97/84/49/1019978449.db2.gz AGMCNJLWZDYVFT-KRWDZBQOSA-N 0 0 357.498 2.975 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cnn(CC3CC3)c2)cc1 ZINC000777898112 1020013525 /nfs/dbraw/zinc/01/35/25/1020013525.db2.gz KTNIGEDRUHDRTM-UHFFFAOYSA-N 0 0 374.510 2.712 20 10 FFCDRN C[C@@H](NC(=O)c1ccoc1C1(O)CCOCC1)c1ccc(N(C)C)cc1 ZINC000828860318 1032874944 /nfs/dbraw/zinc/87/49/44/1032874944.db2.gz BGOZNSRCEJSEDM-CQSZACIVSA-N 0 0 358.438 2.835 20 10 FFCDRN C[C@H](NC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1O ZINC000827957703 1020127479 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CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000726246546 1020443501 /nfs/dbraw/zinc/44/35/01/1020443501.db2.gz VRLMJNDANJPXPN-OAHLLOKOSA-N 0 0 363.458 2.981 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1CC2(CCC2)c2c1cccc2F ZINC000726289908 1020451546 /nfs/dbraw/zinc/45/15/46/1020451546.db2.gz HTCIJVPSWAWPGE-UHFFFAOYSA-N 0 0 368.408 2.958 20 10 FFCDRN Cc1nccc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)n1 ZINC000726566738 1020486173 /nfs/dbraw/zinc/48/61/73/1020486173.db2.gz BXVWIWCDFQGPIV-UHFFFAOYSA-N 0 0 362.380 2.785 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc[nH]c1=O ZINC000726565339 1020486186 /nfs/dbraw/zinc/48/61/86/1020486186.db2.gz CNSXDBVYHWJFAL-UHFFFAOYSA-N 0 0 363.364 2.787 20 10 FFCDRN Cc1ccccc1CN(C)C(=O)[C@@H](C)OC(=O)c1ccc(C)c(O)c1O ZINC000727005348 1020570357 /nfs/dbraw/zinc/57/03/57/1020570357.db2.gz OOJQSAYOXTZFHG-CQSZACIVSA-N 0 0 357.406 2.919 20 10 FFCDRN Cc1ccc(C(=O)OCC(=O)N(C)[C@H](C)c2ccc(F)cc2)c(O)c1O ZINC000727004526 1020570465 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Cc1cc(NC(=O)NCc2c(O)cccc2F)ccc1N1CCOCC1=O ZINC000933223480 1020978672 /nfs/dbraw/zinc/97/86/72/1020978672.db2.gz UKTUCBFMJMBKTH-UHFFFAOYSA-N 0 0 373.384 2.525 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccnc(N2CCCCC2)c1 ZINC000934076476 1021135210 /nfs/dbraw/zinc/13/52/10/1021135210.db2.gz KPFYXGTZGAUFAD-UHFFFAOYSA-N 0 0 356.426 2.847 20 10 FFCDRN O=C1c2ccc(O[C@@H]3CC[NH2+]CC[C@H]3F)cc2C(=O)c2ccc([O-])cc21 ZINC001218019087 1032956602 /nfs/dbraw/zinc/95/66/02/1032956602.db2.gz OVSZNQWGJGDQRU-QZTJIDSGSA-N 0 0 355.365 2.637 20 10 FFCDRN Cc1cc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc(C)n1 ZINC001116359885 1021178809 /nfs/dbraw/zinc/17/88/09/1021178809.db2.gz DBKCRVOSHWEDHS-UHFFFAOYSA-N 0 0 354.454 2.621 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H](C(=O)OC)C3)CC2)cc1 ZINC001116421285 1021209048 /nfs/dbraw/zinc/20/90/48/1021209048.db2.gz MZOXOKOTERSMOK-DLBZAZTESA-N 0 0 374.481 2.713 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc4c[nH]ccc-4n3)CC2)cc1F ZINC000934405128 1021221865 /nfs/dbraw/zinc/22/18/65/1021221865.db2.gz RQULEQIFDMGFOS-UHFFFAOYSA-N 0 0 354.385 2.673 20 10 FFCDRN COc1cc(F)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC001116645442 1021327803 /nfs/dbraw/zinc/32/78/03/1021327803.db2.gz HVIJUHRWTSMCNX-LBPRGKRZSA-N 0 0 359.401 2.716 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1Cc2cccnc2N2CCC[C@H]2C1 ZINC000829053421 1032972672 /nfs/dbraw/zinc/97/26/72/1032972672.db2.gz QAAKIGQIZOPPIN-BVBGJJFLSA-N 0 0 351.406 2.517 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccnn1C1CCC1 ZINC000934726156 1021373984 /nfs/dbraw/zinc/37/39/84/1021373984.db2.gz OVTYYGBGFWKYJF-UHFFFAOYSA-N 0 0 369.469 2.891 20 10 FFCDRN CCOC(=O)[C@@H](NCc1cc(Br)cc(OC)c1O)C1CC1 ZINC001116741277 1021386427 /nfs/dbraw/zinc/38/64/27/1021386427.db2.gz VLXOLTDUBKBGBI-ZDUSSCGKSA-N 0 0 358.232 2.595 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2C[C@H](C)O[C@H](CO)C2)c1 ZINC001116743342 1021388408 /nfs/dbraw/zinc/38/84/08/1021388408.db2.gz JEKNIHWKSDAQQD-HOCLYGCPSA-N 0 0 362.857 2.969 20 10 FFCDRN C/C=C\C[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)C(=O)OCC ZINC001116790554 1021417747 /nfs/dbraw/zinc/41/77/47/1021417747.db2.gz WONJAIPFJKFITG-WLPBJKJWSA-N 0 0 363.477 2.565 20 10 FFCDRN C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCOCC2)cc1 ZINC000145463055 1021450793 /nfs/dbraw/zinc/45/07/93/1021450793.db2.gz SKBXNKXLSXVICS-HNNXBMFYSA-N 0 0 368.433 2.785 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)c1 ZINC000934940984 1021479672 /nfs/dbraw/zinc/47/96/72/1021479672.db2.gz UDNQUWQQPNUBEJ-YGRLFVJLSA-N 0 0 358.369 2.843 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3CCCc4nn(C)cc43)CC2)cc1 ZINC001116900634 1021480144 /nfs/dbraw/zinc/48/01/44/1021480144.db2.gz QKNPCYGRCVHKEK-SFHVURJKSA-N 0 0 368.481 2.588 20 10 FFCDRN CCN(CC)c1ccc(CN(C)Cc2nnn(CC(F)(F)F)n2)cc1 ZINC001116920345 1021488817 /nfs/dbraw/zinc/48/88/17/1021488817.db2.gz UCCWEVMMWPDQIY-UHFFFAOYSA-N 0 0 356.396 2.714 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@H](C)C[C@@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000778292773 1021520710 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CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000750618872 1022251482 /nfs/dbraw/zinc/25/14/82/1022251482.db2.gz MRWZQEDCXXOSNM-GFCCVEGCSA-N 0 0 357.362 2.793 20 10 FFCDRN O=C(NCCNC(=O)c1ccccc1C(F)(F)F)C1=CC(=O)CS1 ZINC001118579583 1022298951 /nfs/dbraw/zinc/29/89/51/1022298951.db2.gz MNRVDDAERKJXST-UHFFFAOYSA-N 0 0 358.341 2.632 20 10 FFCDRN COc1ccc2c(c1)C[C@@H](C(=O)NCc1ccc(N(C)C)cc1C)CO2 ZINC000115281841 1022321575 /nfs/dbraw/zinc/32/15/75/1022321575.db2.gz DXKCAIDFCUCNPR-QGZVFWFLSA-N 0 0 354.450 2.937 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cnc4n3CCCC4)CC2)cc1 ZINC000750701061 1022371216 /nfs/dbraw/zinc/37/12/16/1022371216.db2.gz ABQSMXVOBXPBMJ-UHFFFAOYSA-N 0 0 354.454 2.581 20 10 FFCDRN Cc1nc(C)c([C@@H](C)N(C)C(=O)C(=O)N2Cc3cccc(O)c3C2)s1 ZINC001118940667 1022483477 /nfs/dbraw/zinc/48/34/77/1022483477.db2.gz SAFUJGLSNOBAHR-LLVKDONJSA-N 0 0 359.451 2.527 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000158944459 1022596035 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ORWUGDQOZNYISD-KRWDZBQOSA-N 0 0 367.449 2.709 20 10 FFCDRN COc1cccc([C@@H]2CCCN2C(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC001328288148 1048247165 /nfs/dbraw/zinc/24/71/65/1048247165.db2.gz KVIFIQTTXYFKIB-SFHVURJKSA-N 0 0 368.433 2.723 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCc3cc(C4CC4)no3)CC2)cc1F ZINC001332408510 1048381777 /nfs/dbraw/zinc/38/17/77/1048381777.db2.gz QZQYZYXSUCUFEQ-UHFFFAOYSA-N 0 0 374.416 2.732 20 10 FFCDRN O=C(N[C@@H]1CCSc2ccccc21)C(=O)N1Cc2cccc(O)c2C1 ZINC001332416084 1048386769 /nfs/dbraw/zinc/38/67/69/1048386769.db2.gz MDEJPTPYVJDEMD-OAHLLOKOSA-N 0 0 354.431 2.588 20 10 FFCDRN COC(=O)[C@H](CC(C)(C)C)NCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001332450145 1048401682 /nfs/dbraw/zinc/40/16/82/1048401682.db2.gz CPKVRBOXAVRTHO-KRWDZBQOSA-N 0 0 365.493 2.645 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCN(C(=O)c3ccccc3)C2)cc1 ZINC001328773305 1048460640 /nfs/dbraw/zinc/46/06/40/1048460640.db2.gz YYAMUGRKPDCHPC-SFHVURJKSA-N 0 0 351.450 2.531 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3onc4c3CCCC4)CC2)cc1 ZINC001329236484 1048627983 /nfs/dbraw/zinc/62/79/83/1048627983.db2.gz WAQVRFGLWZULLE-UHFFFAOYSA-N 0 0 355.438 2.915 20 10 FFCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(OC)CCOC1 ZINC001291446008 1048677710 /nfs/dbraw/zinc/67/77/10/1048677710.db2.gz YEVZNLNXSMLWPJ-MGPUTAFESA-N 0 0 374.485 2.939 20 10 FFCDRN Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000738319741 1048678349 /nfs/dbraw/zinc/67/83/49/1048678349.db2.gz GEINCSVQCLRNTL-UONOGXRCSA-N 0 0 366.421 2.820 20 10 FFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3nccc4cccnc43)cc2)C1 ZINC001333351660 1048854434 /nfs/dbraw/zinc/85/44/34/1048854434.db2.gz OANQEQASVNGTLT-QGZVFWFLSA-N 0 0 361.449 2.944 20 10 FFCDRN CN(C)c1cc(F)c(CN[C@H]2CCCN(Cc3ccccn3)C2=O)cc1F ZINC001329722349 1048873532 /nfs/dbraw/zinc/87/35/32/1048873532.db2.gz LTBBKTMUDZLQOW-SFHVURJKSA-N 0 0 374.435 2.707 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc2nnc(C(F)F)n2c1 ZINC001333786727 1049118923 /nfs/dbraw/zinc/11/89/23/1049118923.db2.gz UTPPALKJGUEXQM-UHFFFAOYSA-N 0 0 373.363 2.772 20 10 FFCDRN CS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCC3)c2)c(N)c1 ZINC001292104261 1049119416 /nfs/dbraw/zinc/11/94/16/1049119416.db2.gz NBBMASFDIKJADT-UHFFFAOYSA-N 0 0 373.478 2.915 20 10 FFCDRN COc1cccc(CN(C[C@@H]2CCCO2)C(=O)Cc2ccc(O)c(O)c2)c1 ZINC001292128645 1049134364 /nfs/dbraw/zinc/13/43/64/1049134364.db2.gz BYGOZFZBGRYRPI-SFHVURJKSA-N 0 0 371.433 2.857 20 10 FFCDRN O=C(Nc1ccnnc1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001330866905 1049368751 /nfs/dbraw/zinc/36/87/51/1049368751.db2.gz GVPLFEVLTGSUTQ-UHFFFAOYSA-N 0 0 363.368 2.869 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@@H](c3cncn3C)N(C)C)cc2)CC1 ZINC001293143758 1049493914 /nfs/dbraw/zinc/49/39/14/1049493914.db2.gz BWHLZQWRUSVSGE-HXUWFJFHSA-N 0 0 369.513 2.576 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001294679506 1049793386 /nfs/dbraw/zinc/79/33/86/1049793386.db2.gz PVPKMTOBBBKUSX-UXLLHSPISA-N 0 0 360.454 2.854 20 10 FFCDRN O=C(Cc1ccccc1OCc1ccncc1)NCc1ccc(O)c(O)c1 ZINC001294868765 1049822738 /nfs/dbraw/zinc/82/27/38/1049822738.db2.gz HTZURUOZDRPVSH-UHFFFAOYSA-N 0 0 364.401 2.931 20 10 FFCDRN Cc1cc(CC(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)c(C)n1-c1ccccc1 ZINC001294990024 1049858990 /nfs/dbraw/zinc/85/89/90/1049858990.db2.gz FDULQINFWOOWKS-PMACEKPBSA-N 0 0 365.477 2.906 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCCCc2ccc3c(c2)OCCO3)cc1 ZINC001295047810 1049869406 /nfs/dbraw/zinc/86/94/06/1049869406.db2.gz MOCBTJFHGNDFFL-UHFFFAOYSA-N 0 0 368.393 2.983 20 10 FFCDRN Cc1cc(C(=O)N[C@H](CO)[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC001295800269 1049986539 /nfs/dbraw/zinc/98/65/39/1049986539.db2.gz SJDWURULEKAKAI-KBXCAEBGSA-N 0 0 362.857 2.875 20 10 FFCDRN COc1ccc(N2CCN(CCNc3cccc(F)c3[N+](=O)[O-])CC2)cc1 ZINC000742926508 1049992399 /nfs/dbraw/zinc/99/23/99/1049992399.db2.gz BLZITQHVTNORBP-UHFFFAOYSA-N 0 0 374.416 2.977 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC001297562579 1050219641 /nfs/dbraw/zinc/21/96/41/1050219641.db2.gz NFZOAWILPUHEQP-INIZCTEOSA-N 0 0 373.449 2.937 20 10 FFCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CCC2(CCO2)CC1 ZINC001340208568 1050617030 /nfs/dbraw/zinc/61/70/30/1050617030.db2.gz FLHCPYUBSVDNPM-UHFFFAOYSA-N 0 0 357.439 2.557 20 10 FFCDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000746811468 1050926832 /nfs/dbraw/zinc/92/68/32/1050926832.db2.gz GUAULRRPRBMTME-UHFFFAOYSA-N 0 0 355.394 2.916 20 10 FFCDRN Cc1cc(CCNC(=O)c2ccc3n[nH]nc3n2)c(C)n1-c1ccccc1 ZINC001301988316 1051027503 /nfs/dbraw/zinc/02/75/03/1051027503.db2.gz BMYZXNBFTRZLFL-UHFFFAOYSA-N 0 0 360.421 2.733 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1cnn2c1nccc2-c1ccccc1 ZINC001303223159 1051307390 /nfs/dbraw/zinc/30/73/90/1051307390.db2.gz CRKGTTKYOQBXBG-UHFFFAOYSA-N 0 0 360.373 2.738 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1cn2c(Br)cnc2s1 ZINC001303875381 1051463941 /nfs/dbraw/zinc/46/39/41/1051463941.db2.gz GTPOQWVRDHKXTL-UHFFFAOYSA-N 0 0 370.203 2.933 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)NCc2c(O)cccc2F)C1 ZINC001303875404 1051464119 /nfs/dbraw/zinc/46/41/19/1051464119.db2.gz IAVRYZMMKWOTTC-IAQYHMDHSA-N 0 0 370.396 2.743 20 10 FFCDRN Cc1nn(Cc2ccccc2)c(N)c1C(=O)NCc1c(O)cccc1F ZINC001303876140 1051464131 /nfs/dbraw/zinc/46/41/31/1051464131.db2.gz WLBJMCAVMYLVPX-UHFFFAOYSA-N 0 0 354.385 2.597 20 10 FFCDRN CC[C@@H](C)NC(=O)c1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC001542537119 1071249579 /nfs/dbraw/zinc/24/95/79/1071249579.db2.gz IPCZQRHGORVFJF-SMJHDNPOSA-N 0 0 368.433 2.956 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCCN2C)n1C[C@H]1CCCO1 ZINC001343156191 1051779272 /nfs/dbraw/zinc/77/92/72/1051779272.db2.gz PTWLKWMTXYWXDR-SJORKVTESA-N 0 0 371.485 2.566 20 10 FFCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)O[C@@H](C)C1 ZINC001343224018 1052080100 /nfs/dbraw/zinc/08/01/00/1052080100.db2.gz DJJDJCIAEUHPIO-BETUJISGSA-N 0 0 366.487 2.752 20 10 FFCDRN CN1CCN(c2ccc(CNc3ccnn3[C@@H]3CCCOC3)cc2F)CC1 ZINC001343319452 1052158539 /nfs/dbraw/zinc/15/85/39/1052158539.db2.gz OBSUYJGTKMCYDR-QGZVFWFLSA-N 0 0 373.476 2.738 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001343466453 1052250193 /nfs/dbraw/zinc/25/01/93/1052250193.db2.gz HIOPKVAWHRXFSW-REPLKXPHSA-N 0 0 355.482 2.550 20 10 FFCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2C[C@H]2CCCO2)CCS1 ZINC001345279848 1052364001 /nfs/dbraw/zinc/36/40/01/1052364001.db2.gz XOCZUWVDZAYEHB-VXGBXAGGSA-N 0 0 366.512 2.833 20 10 FFCDRN CCOC(=O)c1cc2n(n1)C[C@@H](C)N(Cc1ccc(N(C)CC)cc1)C2 ZINC001308087811 1052403131 /nfs/dbraw/zinc/40/31/31/1052403131.db2.gz FYKGYEJUOHXTAP-OAHLLOKOSA-N 0 0 356.470 2.920 20 10 FFCDRN CCc1ccc2c(c1)CCN(CC(=O)NCc1ccc(N(C)C)cc1)C2 ZINC001308170665 1052425082 /nfs/dbraw/zinc/42/50/82/1052425082.db2.gz NYDLJUKZACHARQ-UHFFFAOYSA-N 0 0 351.494 2.990 20 10 FFCDRN O=[N+]([O-])c1cc(CNc2ccc(OCCO)nc2)ccc1N1CCCCC1 ZINC000754064234 1052445969 /nfs/dbraw/zinc/44/59/69/1052445969.db2.gz NXJZLBHBVFAGSD-UHFFFAOYSA-N 0 0 372.425 2.963 20 10 FFCDRN Brc1cc(CNCc2nc[nH]n2)ccc1N1CCCCC1 ZINC001308558731 1052469882 /nfs/dbraw/zinc/46/98/82/1052469882.db2.gz OIPLZEDZUORNCG-UHFFFAOYSA-N 0 0 350.264 2.847 20 10 FFCDRN COC(=O)c1cc(CN2CCN(c3ccc(OC)cc3OC)CC2)oc1C ZINC001308906735 1052517172 /nfs/dbraw/zinc/51/71/72/1052517172.db2.gz KBHLJMUQAOYGRR-UHFFFAOYSA-N 0 0 374.437 2.714 20 10 FFCDRN COc1ccc(N2CCN(Cc3cn4cc(C)ccc4n3)CC2)c(OC)c1 ZINC001308908128 1052517201 /nfs/dbraw/zinc/51/72/01/1052517201.db2.gz XNLQNYGXGQAUTO-UHFFFAOYSA-N 0 0 366.465 2.982 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CC[C@H](CF)C2)n1C[C@H]1CCOC1 ZINC001345683555 1052574024 /nfs/dbraw/zinc/57/40/24/1052574024.db2.gz UOCTWROBCYSTJY-VXGBXAGGSA-N 0 0 352.435 2.545 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCOC3=O)cc2Cl)C1 ZINC001345884224 1052656729 /nfs/dbraw/zinc/65/67/29/1052656729.db2.gz ZZXHUWYVPRRHRB-WFASDCNBSA-N 0 0 365.861 2.691 20 10 FFCDRN Cc1cc(N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)nc(CO)n1 ZINC001346082906 1052738801 /nfs/dbraw/zinc/73/88/01/1052738801.db2.gz AYUGDUCAWUYTSF-SFHVURJKSA-N 0 0 356.470 2.529 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)Cc3cn4ccccc4n3)CC2)cc1 ZINC001335136606 1053230064 /nfs/dbraw/zinc/23/00/64/1053230064.db2.gz VEAFWYJCKDBQPR-UHFFFAOYSA-N 0 0 364.449 2.624 20 10 FFCDRN CCn1cc(Br)c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)n1 ZINC001346697143 1053233325 /nfs/dbraw/zinc/23/33/25/1053233325.db2.gz XIQBATVHQBBFPO-VIFPVBQESA-N 0 0 368.231 2.871 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC001335729742 1053526842 /nfs/dbraw/zinc/52/68/42/1053526842.db2.gz GPIYYAALJOTIAH-UHFFFAOYSA-N 0 0 370.428 2.512 20 10 FFCDRN COC(=O)c1ccccc1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC001335731564 1053528550 /nfs/dbraw/zinc/52/85/50/1053528550.db2.gz RZXRBTNQSPSCHT-UHFFFAOYSA-N 0 0 368.433 2.834 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCN(C(=O)CCC3CCCCC3)CC2)cc1 ZINC001335737726 1053531707 /nfs/dbraw/zinc/53/17/07/1053531707.db2.gz SVTQOVWCAYGQCB-UHFFFAOYSA-N 0 0 372.513 2.983 20 10 FFCDRN O=C(NCc1cccc(O)c1O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC001347235225 1053743886 /nfs/dbraw/zinc/74/38/86/1053743886.db2.gz UEXVSVWNASPUKA-INIZCTEOSA-N 0 0 358.413 2.765 20 10 FFCDRN CCOC(=O)NCCCC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001543250926 1071427690 /nfs/dbraw/zinc/42/76/90/1071427690.db2.gz BQWOCHQGRYJGJF-UHFFFAOYSA-N 0 0 353.438 2.814 20 10 FFCDRN O=C(N[C@@H]1C[C@H]2CCC[C@H]21)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001336413963 1053977755 /nfs/dbraw/zinc/97/77/55/1053977755.db2.gz QLFSAASNZHUBQA-ZTFGCOKTSA-N 0 0 368.433 2.819 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCC(n2cnc3ccccc3c2=O)CC1 ZINC001347577747 1054124467 /nfs/dbraw/zinc/12/44/67/1054124467.db2.gz ZWHBOZCFNYDCSX-UHFFFAOYSA-N 0 0 355.419 2.641 20 10 FFCDRN COc1cc([C@@H](C)NC(=O)NCc2ccc(N)cc2)cc(OC)c1OC ZINC001336755343 1054198742 /nfs/dbraw/zinc/19/87/42/1054198742.db2.gz HMULJAXRHBLLGY-GFCCVEGCSA-N 0 0 359.426 2.855 20 10 FFCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCc2nccnc2C1 ZINC001347669087 1054208878 /nfs/dbraw/zinc/20/88/78/1054208878.db2.gz OWUGWQZHWHPLEK-UHFFFAOYSA-N 0 0 356.455 2.721 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@H](c2ccccc2F)C1 ZINC001348176059 1054723550 /nfs/dbraw/zinc/72/35/50/1054723550.db2.gz VGCPBCVIWGCSKC-AWEZNQCLSA-N 0 0 356.397 2.506 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCC[C@H](n3ccnn3)C2)n1CC1CC1 ZINC001348190945 1054734843 /nfs/dbraw/zinc/73/48/43/1054734843.db2.gz GUAWKTDOHHQUNP-ZDUSSCGKSA-N 0 0 371.470 2.555 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ncc4ccccn43)CC2)cc1 ZINC001348561971 1054792907 /nfs/dbraw/zinc/79/29/07/1054792907.db2.gz LGDVQJMLGORHKR-UHFFFAOYSA-N 0 0 350.422 2.695 20 10 FFCDRN CCc1ncoc1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC001337744486 1054988344 /nfs/dbraw/zinc/98/83/44/1054988344.db2.gz VEDKHZPFYIMXMC-CHWSQXEVSA-N 0 0 361.417 2.920 20 10 FFCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1C(=O)CCC1=O ZINC001349404994 1055234855 /nfs/dbraw/zinc/23/48/55/1055234855.db2.gz YZKNVDQHBUJCHG-HNNXBMFYSA-N 0 0 366.417 2.631 20 10 FFCDRN O=C(NCc1ccsc1C(F)(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC001349491020 1055293975 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C[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000847363320 1055603102 /nfs/dbraw/zinc/60/31/02/1055603102.db2.gz XQNWHOOJTLBNAL-RRFJBIMHSA-N 0 0 374.460 2.657 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)C2N=NC(=O)N2C)c(C)n1-c1ccccc1C ZINC001300072978 1055676678 /nfs/dbraw/zinc/67/66/78/1055676678.db2.gz LBDLJNHSQZODNF-ZDUSSCGKSA-N 0 0 353.426 2.728 20 10 FFCDRN C[C@H](NC(=O)c1cccc2[nH]c(=O)[nH]c21)c1ccc(N2CCOCC2)cc1 ZINC000847393671 1055689742 /nfs/dbraw/zinc/68/97/42/1055689742.db2.gz NIXPTZPBSBEGFF-ZDUSSCGKSA-N 0 0 366.421 2.596 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC(O)(c2ccccc2)CC1 ZINC001338748563 1055781752 /nfs/dbraw/zinc/78/17/52/1055781752.db2.gz DOTLOWNABNLSIG-UHFFFAOYSA-N 0 0 356.451 2.737 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC1(C)CC(F)(F)C1 ZINC001350505983 1055804861 /nfs/dbraw/zinc/80/48/61/1055804861.db2.gz LMDKDYNZMPSSLN-UHFFFAOYSA-N 0 0 354.397 2.682 20 10 FFCDRN Cc1cc(CNC(=O)c2ccc3nnnn3c2)c(C)n1-c1cccc(C)c1 ZINC001544080344 1071593810 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359.389 2.988 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](CO)Cc2c[nH]cn2)c1 ZINC001471335000 1064644119 /nfs/dbraw/zinc/64/41/19/1064644119.db2.gz ZZVQXPFJRTXIEJ-HNNXBMFYSA-N 0 0 372.856 2.804 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](CO)C[C@H]1CCCO1 ZINC001471897323 1064843435 /nfs/dbraw/zinc/84/34/35/1064843435.db2.gz KBQWRRNDZVJWHG-ZWKOTPCHSA-N 0 0 370.449 2.566 20 10 FFCDRN Cc1cc(C(F)F)n2ncc(C(=O)NCc3c(O)cccc3F)c2n1 ZINC001471975767 1064875547 /nfs/dbraw/zinc/87/55/47/1064875547.db2.gz GOOQCKCMTJKSLZ-UHFFFAOYSA-N 0 0 350.300 2.750 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2C3CCC2(CO)CC3)cc1 ZINC001471994119 1064884260 /nfs/dbraw/zinc/88/42/60/1064884260.db2.gz ADCVCBGIWWUZOP-UHFFFAOYSA-N 0 0 366.461 2.965 20 10 FFCDRN Nc1c(Br)cc(F)cc1C(=O)NCc1c(O)cccc1O ZINC001472063893 1064915676 /nfs/dbraw/zinc/91/56/76/1064915676.db2.gz RMUVWXHMIQGBAA-UHFFFAOYSA-N 0 0 355.163 2.512 20 10 FFCDRN CN(CC(=O)NCc1c(O)ccc2ccccc21)C(=O)c1cccs1 ZINC001472086227 1064925475 /nfs/dbraw/zinc/92/54/75/1064925475.db2.gz QWCURXSFCQGKGS-UHFFFAOYSA-N 0 0 354.431 2.995 20 10 FFCDRN Cc1cc(C(=O)NC(C)(C)CNC(N)=O)c(C)n1-c1ccc(Cl)cc1 ZINC001472240514 1064983838 /nfs/dbraw/zinc/98/38/38/1064983838.db2.gz WIUBPLSYXVXLGS-UHFFFAOYSA-N 0 0 362.861 2.924 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc([N+](=O)[O-])c[nH]c1=O ZINC001472472239 1065075758 /nfs/dbraw/zinc/07/57/58/1065075758.db2.gz JDMUGILQHNZJAK-UHFFFAOYSA-N 0 0 356.382 2.568 20 10 FFCDRN CNC(=O)COc1ccc(NCc2c(O)cccc2Br)cc1 ZINC001474046824 1065445126 /nfs/dbraw/zinc/44/51/26/1065445126.db2.gz XCEILHFGHDSJIY-UHFFFAOYSA-N 0 0 365.227 2.892 20 10 FFCDRN O=C(CCc1ccccc1)N1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC001474070032 1065450489 /nfs/dbraw/zinc/45/04/89/1065450489.db2.gz WBCMJZRFFFLRJY-QGZVFWFLSA-N 0 0 369.421 2.624 20 10 FFCDRN Cc1[nH]nc(NCc2ccc3c(c2)CCN3Cc2ccccc2)c1C(N)=O ZINC001474294520 1065486561 /nfs/dbraw/zinc/48/65/61/1065486561.db2.gz PSYNTKVLKKWVBR-UHFFFAOYSA-N 0 0 361.449 2.992 20 10 FFCDRN CCOc1ccc(S(=O)(=O)NCc2ccc(N(CC)CC)cc2)cn1 ZINC001474852137 1065626252 /nfs/dbraw/zinc/62/62/52/1065626252.db2.gz LAHVDBVGGYBHKU-UHFFFAOYSA-N 0 0 363.483 2.805 20 10 FFCDRN CO[C@H]1c2ccccc2CC[C@@H]1S(=O)(=O)N(C)Cc1ccccc1O ZINC001475007123 1065671631 /nfs/dbraw/zinc/67/16/31/1065671631.db2.gz OHZDICIULLXBID-OALUTQOASA-N 0 0 361.463 2.856 20 10 FFCDRN COCCOc1cn(-c2ccccc2)nc1C(=O)Oc1ccc(N)cc1 ZINC001579065473 1078567942 /nfs/dbraw/zinc/56/79/42/1078567942.db2.gz ATJDNLXRKXYFLE-UHFFFAOYSA-N 0 0 353.378 2.699 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CC[C@@H]([C@H]4CCOC4)C3)cs2)cc1 ZINC001580447165 1078806378 /nfs/dbraw/zinc/80/63/78/1078806378.db2.gz RBDFOTORZIAJQI-CABCVRRESA-N 0 0 357.479 2.815 20 10 FFCDRN Cc1cc(C)c2c(n1)=S=C(C(=O)Nc1ccc(N=S(C)(C)=O)cc1)C=2 ZINC001583831935 1079271815 /nfs/dbraw/zinc/27/18/15/1079271815.db2.gz PVPKPQPNNNHIOE-UHFFFAOYSA-N 0 0 373.503 2.647 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC001583928458 1079284870 /nfs/dbraw/zinc/28/48/70/1079284870.db2.gz IZNOMRNPFDORCT-UHFFFAOYSA-N 0 0 371.441 2.714 20 10 FFCDRN COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1cccc(O)c1O)CCC2 ZINC001584027226 1079297404 /nfs/dbraw/zinc/29/74/04/1079297404.db2.gz GFOMHGXUWSHABE-CQSZACIVSA-N 0 0 355.390 2.734 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCCCOc1cccc2cccnc21 ZINC001584801150 1079390911 /nfs/dbraw/zinc/39/09/11/1079390911.db2.gz CFRQPJLSCYIXLH-UHFFFAOYSA-N 0 0 352.390 2.774 20 10 FFCDRN COC[C@@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001555366758 1075660513 /nfs/dbraw/zinc/66/05/13/1075660513.db2.gz MHLGHUCTZPOACV-OAHLLOKOSA-N 0 0 373.476 2.882 20 10 FFCDRN CSCCCn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001555933600 1075689113 /nfs/dbraw/zinc/68/91/13/1075689113.db2.gz JYVBVHSKFTYASW-HNNXBMFYSA-N 0 0 362.499 2.877 20 10 FFCDRN Cc1cc(-c2nc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)co2)ccn1 ZINC001556157386 1075709909 /nfs/dbraw/zinc/70/99/09/1075709909.db2.gz AJEFSOSVDSHOQI-LBPRGKRZSA-N 0 0 353.378 2.817 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1ccnc(OCC(F)F)c1 ZINC001557122399 1075810709 /nfs/dbraw/zinc/81/07/09/1075810709.db2.gz JCAQDHGMNPTGRU-UHFFFAOYSA-N 0 0 359.332 2.909 20 10 FFCDRN Cc1ccc2ccnc(NC(=O)c3cc(NS(C)(=O)=O)ccc3O)c2c1 ZINC001557280682 1075832763 /nfs/dbraw/zinc/83/27/63/1075832763.db2.gz SQUTYVLDVKIXOQ-UHFFFAOYSA-N 0 0 371.418 2.873 20 10 FFCDRN COC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2O)n(-c2ccccc2)n1 ZINC001557966620 1075918968 /nfs/dbraw/zinc/91/89/68/1075918968.db2.gz KMGUPSIURUPVKA-CYBMUJFWSA-N 0 0 365.389 2.856 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@]2(CC(C)C)CCNC2=O)cc1F ZINC001585697826 1079489528 /nfs/dbraw/zinc/48/95/28/1079489528.db2.gz DGFWNVQGUMWOFQ-FQEVSTJZSA-N 0 0 363.477 2.841 20 10 FFCDRN O=C(CNC(=O)c1ccc(C(F)(F)F)cc1)N1Cc2cccc(O)c2C1 ZINC001558035618 1075932894 /nfs/dbraw/zinc/93/28/94/1075932894.db2.gz KZYAKLGJYMTPJD-UHFFFAOYSA-N 0 0 364.323 2.683 20 10 FFCDRN COc1ccc(Cl)cc1NCCC(=O)NCc1cccc(O)c1O ZINC001558160638 1075952607 /nfs/dbraw/zinc/95/26/07/1075952607.db2.gz YZYCRJNOLUXZKB-UHFFFAOYSA-N 0 0 350.802 2.878 20 10 FFCDRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3cccc(O)c3O)n2)n1 ZINC001558159587 1075952675 /nfs/dbraw/zinc/95/26/75/1075952675.db2.gz IIBRXTTYMIPBEY-UHFFFAOYSA-N 0 0 372.812 2.879 20 10 FFCDRN Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCc1cccc(O)c1O ZINC001558159208 1075952867 /nfs/dbraw/zinc/95/28/67/1075952867.db2.gz BDMNOZCGWJZOKT-UHFFFAOYSA-N 0 0 369.396 2.898 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@@H](C(=O)NCc2cc(O)ccc2O)C(C)(C)C1 ZINC001558174888 1075956471 /nfs/dbraw/zinc/95/64/71/1075956471.db2.gz BDNGHLLNXZVIQE-AWEZNQCLSA-N 0 0 364.442 2.607 20 10 FFCDRN Cc1cc(C(=O)N2CCC(c3ncon3)CC2)c(C)n1-c1ccccn1 ZINC001558448494 1076007506 /nfs/dbraw/zinc/00/75/06/1076007506.db2.gz WLWQTWGZNFCRTO-UHFFFAOYSA-N 0 0 351.410 2.892 20 10 FFCDRN COc1ccc(CN2CC[C@@H]2C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC001585786881 1079500555 /nfs/dbraw/zinc/50/05/55/1079500555.db2.gz IFLNPCFOCHRGMG-OAQYLSRUSA-N 0 0 367.493 2.960 20 10 FFCDRN O=C(CCn1cnc2ccccc2c1=O)NCc1c(O)ccc2ccccc21 ZINC001558553314 1076031043 /nfs/dbraw/zinc/03/10/43/1076031043.db2.gz MPLXGRAATSBTBX-UHFFFAOYSA-N 0 0 373.412 2.962 20 10 FFCDRN COc1cc(N(C)Cc2cnn(-c3ccccc3)n2)c([N+](=O)[O-])cc1OC ZINC001559112315 1076126972 /nfs/dbraw/zinc/12/69/72/1076126972.db2.gz RIJZYTPCNDOUDM-UHFFFAOYSA-N 0 0 369.381 2.829 20 10 FFCDRN COC(=O)c1cc(OCC(=O)NCc2ccc(C)c(F)c2)ccc1N(C)C ZINC001559456390 1076162232 /nfs/dbraw/zinc/16/22/32/1076162232.db2.gz AQJKQRFSGXUQHY-UHFFFAOYSA-N 0 0 374.412 2.682 20 10 FFCDRN C[C@@H]1CN(CC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)C[C@H]1C ZINC001559560412 1076173160 /nfs/dbraw/zinc/17/31/60/1076173160.db2.gz KPXVXUGFFUTGDD-ZIAGYGMSSA-N 0 0 362.429 2.988 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCC(c3nnc(N)o3)CC2)c1O ZINC001559959962 1076207740 /nfs/dbraw/zinc/20/77/40/1076207740.db2.gz LXOSRWOGQZFBIH-UHFFFAOYSA-N 0 0 350.806 2.593 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])[C@H](O)C1 ZINC001560565269 1076280339 /nfs/dbraw/zinc/28/03/39/1076280339.db2.gz YGTBEYUWISRPLB-ZIAGYGMSSA-N 0 0 374.840 2.645 20 10 FFCDRN CCOC(=O)CN(Cc1cc(-c2ccccn2)n[nH]1)Cc1ccccc1O ZINC001560897070 1076307687 /nfs/dbraw/zinc/30/76/87/1076307687.db2.gz PXNXVLVAXFBLAM-UHFFFAOYSA-N 0 0 366.421 2.743 20 10 FFCDRN Oc1cc(Br)ccc1C[NH2+]Cc1cnc(Br)cn1 ZINC001560970507 1076314873 /nfs/dbraw/zinc/31/48/73/1076314873.db2.gz ZCPOBCOWXVKSRI-UHFFFAOYSA-N 0 0 373.048 2.997 20 10 FFCDRN O=C1NCC2(CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)Oc2ccccc21 ZINC001561007044 1076318723 /nfs/dbraw/zinc/31/87/23/1076318723.db2.gz IUWPJCKLBBVCRB-UHFFFAOYSA-N 0 0 374.387 2.827 20 10 FFCDRN O=S(=O)(NCc1cccc(Cl)c1O)c1ccc(C(F)(F)F)nc1 ZINC001562008784 1076464793 /nfs/dbraw/zinc/46/47/93/1076464793.db2.gz YECMEJFTXOHQDO-UHFFFAOYSA-N 0 0 366.748 2.938 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)Nc2ccnn2-c2nc(C)cc(C)n2)c1 ZINC001562637999 1076509371 /nfs/dbraw/zinc/50/93/71/1076509371.db2.gz TWRFEGFLNQEFLN-UHFFFAOYSA-N 0 0 352.398 2.615 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H](F)C3)CC2)c(OC)c1 ZINC001564976430 1076674534 /nfs/dbraw/zinc/67/45/34/1076674534.db2.gz KDZAAVBMDRHJTK-HUUCEWRRSA-N 0 0 365.449 2.816 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC001565958018 1076811693 /nfs/dbraw/zinc/81/16/93/1076811693.db2.gz FITZXQZKJLBPRK-AWEZNQCLSA-N 0 0 374.824 2.606 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC(=O)Nc3cnccc32)c1 ZINC001566081315 1076888857 /nfs/dbraw/zinc/88/88/57/1076888857.db2.gz OHXRYUPZRGDQRW-UHFFFAOYSA-N 0 0 374.400 2.901 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ns[nH]c1=O ZINC001566846473 1076985445 /nfs/dbraw/zinc/98/54/45/1076985445.db2.gz WEVLZJZEGSIUPL-GFCCVEGCSA-N 0 0 355.419 2.941 20 10 FFCDRN COC(=O)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(F)c(C)c1 ZINC001567322494 1077015688 /nfs/dbraw/zinc/01/56/88/1077015688.db2.gz FJHKGLWLBZOUJJ-OAHLLOKOSA-N 0 0 372.356 2.941 20 10 FFCDRN Cc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1-c1nnnn1C1CC1 ZINC001567508662 1077033269 /nfs/dbraw/zinc/03/32/69/1077033269.db2.gz VTTZSTPWDPJAHK-UHFFFAOYSA-N 0 0 365.393 2.576 20 10 FFCDRN COC(=O)c1n[nH]cc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001567757250 1077051205 /nfs/dbraw/zinc/05/12/05/1077051205.db2.gz PRABRLSZAFUWMB-UHFFFAOYSA-N 0 0 352.394 2.785 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)[C@@H]1OC ZINC001567888791 1077058714 /nfs/dbraw/zinc/05/87/14/1077058714.db2.gz UDHSAFYPJUVZTB-ZVDOUQERSA-N 0 0 356.466 2.945 20 10 FFCDRN CCC[C@H](O)[C@H](CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001570211176 1077191059 /nfs/dbraw/zinc/19/10/59/1077191059.db2.gz POEUXIRHZJRCNJ-PMACEKPBSA-N 0 0 358.482 2.963 20 10 FFCDRN CC(C)c1nc([C@H](CO)NC(=O)c2ccc(N=NC(N)=O)cc2)cs1 ZINC001570890382 1077240189 /nfs/dbraw/zinc/24/01/89/1077240189.db2.gz XKSZFHYXGAUAQK-LBPRGKRZSA-N 0 0 361.427 2.892 20 10 FFCDRN COC(=O)c1ccc(C)c2c1N(C(=O)/C=C/c1cnc(OC)nc1)CCC2 ZINC001587908979 1079889998 /nfs/dbraw/zinc/88/99/98/1079889998.db2.gz ZYISRKOBRATZDS-VQHVLOKHSA-N 0 0 367.405 2.573 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589964346 1080907305 /nfs/dbraw/zinc/90/73/05/1080907305.db2.gz QTXLTIPUJVOJPF-QWHCGFSZSA-N 0 0 351.410 2.789 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589964344 1080908071 /nfs/dbraw/zinc/90/80/71/1080908071.db2.gz QTXLTIPUJVOJPF-CHWSQXEVSA-N 0 0 351.410 2.789 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000055522618 136126885 /nfs/dbraw/zinc/12/68/85/136126885.db2.gz ZHKWGGFHKCMREH-UHFFFAOYSA-N 0 0 359.357 2.501 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)c1O ZINC000368958097 512156471 /nfs/dbraw/zinc/15/64/71/512156471.db2.gz WVBCVDUYUJGQPC-GDBMZVCRSA-N 0 0 351.830 2.818 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2[C@H]2CCCC2=O)c1O ZINC000368958100 512156590 /nfs/dbraw/zinc/15/65/90/512156590.db2.gz WVBCVDUYUJGQPC-ZBFHGGJFSA-N 0 0 351.830 2.818 20 10 FFCDRN Cc1ccccc1[C@H](CC(=O)N(C)Cc1ccc(N(C)C)cc1)NC(N)=O ZINC000032453428 506255775 /nfs/dbraw/zinc/25/57/75/506255775.db2.gz OISODJQUQNNNGO-IBGZPJMESA-N 0 0 368.481 2.819 20 10 FFCDRN C[C@H](C(=O)NCc1cccc(Br)c1O)N(C)CC(F)(F)F ZINC000281452331 511853052 /nfs/dbraw/zinc/85/30/52/511853052.db2.gz COGYAICEGGNAFE-MRVPVSSYSA-N 0 0 369.181 2.654 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1cc(Br)cc(F)c1[O-] ZINC000373252337 512241765 /nfs/dbraw/zinc/24/17/65/512241765.db2.gz NABMFIVPXWWTOS-UHTWSYAYSA-N 0 0 373.266 2.808 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCOC[C@H]2c2noc(C)n2)cc1 ZINC000373318189 512272162 /nfs/dbraw/zinc/27/21/62/512272162.db2.gz MFEJOACYKRTASD-KRWDZBQOSA-N 0 0 373.457 2.507 20 10 FFCDRN CS(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000041365522 506508366 /nfs/dbraw/zinc/50/83/66/506508366.db2.gz FYRPXNCJRWHSMF-UHFFFAOYSA-N 0 0 358.463 2.620 20 10 FFCDRN C[C@@H](OCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054284189 506530038 /nfs/dbraw/zinc/53/00/38/506530038.db2.gz UNQOWTUJNUROBE-QGZVFWFLSA-N 0 0 354.450 2.745 20 10 FFCDRN CC(=O)Nc1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054384217 506548666 /nfs/dbraw/zinc/54/86/66/506548666.db2.gz LJMSGSCYCFVXHS-UHFFFAOYSA-N 0 0 368.437 2.803 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CN(C)C(=O)c3ccccc32)cc1 ZINC000373351495 512286277 /nfs/dbraw/zinc/28/62/77/512286277.db2.gz UFRZCHHSXHYMAR-IBGZPJMESA-N 0 0 351.450 2.580 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCCNC(=O)c1ccccc1F ZINC000066701038 506614985 /nfs/dbraw/zinc/61/49/85/506614985.db2.gz IBFJBRFJCMPZOU-UHFFFAOYSA-N 0 0 373.428 2.883 20 10 FFCDRN COc1cccc(CNc2cc(C)nc3nc(C(F)(F)F)nn32)c1O ZINC000066812691 506649790 /nfs/dbraw/zinc/64/97/90/506649790.db2.gz HFXXTFQRLUCHFJ-UHFFFAOYSA-N 0 0 353.304 2.778 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000042720213 506659751 /nfs/dbraw/zinc/65/97/51/506659751.db2.gz ALBRUCVKXCWPNO-SFHVURJKSA-N 0 0 357.498 2.750 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000055877647 506874163 /nfs/dbraw/zinc/87/41/63/506874163.db2.gz OFYBGULIWAWHGO-UHFFFAOYSA-N 0 0 368.433 2.819 20 10 FFCDRN COC(=O)c1cccc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1 ZINC000055878537 506874473 /nfs/dbraw/zinc/87/44/73/506874473.db2.gz AZYGYVGVKYYRAY-UHFFFAOYSA-N 0 0 368.433 2.834 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)c1[O-] ZINC000367039694 512309854 /nfs/dbraw/zinc/30/98/54/512309854.db2.gz ZHQRNVACAKVROQ-LRDDRELGSA-N 0 0 350.846 2.739 20 10 FFCDRN CN(C)C(=O)c1cccc(CNC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000046609489 507159194 /nfs/dbraw/zinc/15/91/94/507159194.db2.gz YFHZGGZNLRZZFK-UHFFFAOYSA-N 0 0 368.481 2.796 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CCc1nc(-c2ncccn2)no1 ZINC000069423466 507488929 /nfs/dbraw/zinc/48/89/29/507488929.db2.gz ACHJMKJNMAXKEX-UHFFFAOYSA-N 0 0 367.409 2.604 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCCc2[nH]c(=O)ccc21 ZINC000048454700 507526589 /nfs/dbraw/zinc/52/65/89/507526589.db2.gz DTGZBNBJBXBAQP-IBGZPJMESA-N 0 0 366.465 2.852 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccco2)cc1F ZINC000069914849 507583167 /nfs/dbraw/zinc/58/31/67/507583167.db2.gz UGNPLLUMGWHOIX-QGZVFWFLSA-N 0 0 373.428 2.796 20 10 FFCDRN CC(C)Oc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000049152308 507597629 /nfs/dbraw/zinc/59/76/29/507597629.db2.gz PBCSASWSCRBLRT-UHFFFAOYSA-N 0 0 355.438 2.795 20 10 FFCDRN CC(C)OCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000063693485 507759998 /nfs/dbraw/zinc/75/99/98/507759998.db2.gz PBZDRCNALXDWTJ-UHFFFAOYSA-N 0 0 360.376 2.583 20 10 FFCDRN COCCOc1ccccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000072540681 507804649 /nfs/dbraw/zinc/80/46/49/507804649.db2.gz QZFAVZQGGWJVDT-UHFFFAOYSA-N 0 0 356.422 2.817 20 10 FFCDRN COc1ccc(N2CCN(c3ccc(-n4nc(C)cc4C)nn3)CC2)cc1 ZINC000078289327 507856553 /nfs/dbraw/zinc/85/65/53/507856553.db2.gz FRQDZULCIYVAQE-UHFFFAOYSA-N 0 0 364.453 2.614 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)cc1F ZINC000108996699 507930826 /nfs/dbraw/zinc/93/08/26/507930826.db2.gz YAFWDUODZCCAGV-UHFFFAOYSA-N 0 0 363.393 2.552 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@H](O)c3cccc(F)c3)CC2)cc1 ZINC000090820368 507937955 /nfs/dbraw/zinc/93/79/55/507937955.db2.gz HRGFJNSGGDBZSX-IBGZPJMESA-N 0 0 358.413 2.607 20 10 FFCDRN COc1cccc(CNC(=O)NC2CCN(c3ccccc3)CC2)c1O ZINC000073819203 507959035 /nfs/dbraw/zinc/95/90/35/507959035.db2.gz KZEUOEPODGTWJT-UHFFFAOYSA-N 0 0 355.438 2.869 20 10 FFCDRN CCc1nn(C)cc1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000091198646 507966800 /nfs/dbraw/zinc/96/68/00/507966800.db2.gz IACHDAWILNPXOO-HNNXBMFYSA-N 0 0 358.442 2.901 20 10 FFCDRN CCN(CC)c1ccc(CN(C)Cc2nc(CCOC)no2)cc1F ZINC000093587201 508150086 /nfs/dbraw/zinc/15/00/86/508150086.db2.gz BHEBAIHJXPDMOD-UHFFFAOYSA-N 0 0 350.438 2.876 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000076312790 508185746 /nfs/dbraw/zinc/18/57/46/508185746.db2.gz OYIRVBLNJLUWPI-LJQANCHMSA-N 0 0 354.450 2.642 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCOc3c(OC)cccc32)c1 ZINC000369384184 512384290 /nfs/dbraw/zinc/38/42/90/512384290.db2.gz BHSVGQUOJCJAFP-HNNXBMFYSA-N 0 0 358.394 2.732 20 10 FFCDRN Cc1cc(C)n(-c2ccc(NCc3ccc(N4CCOCC4)cc3)nn2)n1 ZINC000077932849 508393473 /nfs/dbraw/zinc/39/34/73/508393473.db2.gz KQTBPAJMFFWPNB-UHFFFAOYSA-N 0 0 364.453 2.728 20 10 FFCDRN COc1cc(C)cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1O ZINC000106455174 508400901 /nfs/dbraw/zinc/40/09/01/508400901.db2.gz LCTZBDGVOIMDPF-UHFFFAOYSA-N 0 0 370.449 2.818 20 10 FFCDRN CCNC(=O)c1cccc(NC(=O)CN(C)c2ccc(OC)c(F)c2)c1 ZINC000121801388 508420752 /nfs/dbraw/zinc/42/07/52/508420752.db2.gz BWJFADXKYVISRJ-UHFFFAOYSA-N 0 0 359.401 2.659 20 10 FFCDRN COc1ccc(N(C)C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000121877802 508438481 /nfs/dbraw/zinc/43/84/81/508438481.db2.gz ATYPBOCDYVTYNE-MRXNPFEDSA-N 0 0 369.870 2.922 20 10 FFCDRN Cc1nc(CN2CCC(C(=O)NCCc3ccc(N)cc3)CC2)cs1 ZINC000152509273 508461014 /nfs/dbraw/zinc/46/10/14/508461014.db2.gz WGYRFYQNXFPQFL-UHFFFAOYSA-N 0 0 358.511 2.605 20 10 FFCDRN COc1ccc(-c2noc(CCC(=O)NCCc3ccc(N)cc3)n2)cc1 ZINC000152569815 508471776 /nfs/dbraw/zinc/47/17/76/508471776.db2.gz UUHQIDAXZZMKTL-UHFFFAOYSA-N 0 0 366.421 2.619 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Nc3cccc(N(C)C)n3)CC2)cc1 ZINC000152818540 508520849 /nfs/dbraw/zinc/52/08/49/508520849.db2.gz FRKQDXIFFXAQHA-UHFFFAOYSA-N 0 0 369.469 2.900 20 10 FFCDRN CC(C)c1cccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000134613104 508551703 /nfs/dbraw/zinc/55/17/03/508551703.db2.gz JQVKSPWKMZQMMM-ZDUSSCGKSA-N 0 0 356.422 2.907 20 10 FFCDRN C[C@H](O)CCN(C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000153374963 508576716 /nfs/dbraw/zinc/57/67/16/508576716.db2.gz XTMSVSGZWRIDRN-KBPBESRZSA-N 0 0 371.428 2.669 20 10 FFCDRN O=C(c1cnn2c1CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000128472149 508597760 /nfs/dbraw/zinc/59/77/60/508597760.db2.gz FVTQSJAPWNJVGZ-MRXNPFEDSA-N 0 0 355.438 2.746 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000122856503 508597797 /nfs/dbraw/zinc/59/77/97/508597797.db2.gz JADBHGMBGVDQIF-UJFRIWISSA-N 0 0 356.466 2.610 20 10 FFCDRN C[C@@H]1SCCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)[C@H]1C ZINC000118473482 508651883 /nfs/dbraw/zinc/65/18/83/508651883.db2.gz ZNUJPVHEECKBLR-KBPBESRZSA-N 0 0 367.490 2.698 20 10 FFCDRN CN(C)c1ccc(CNc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1F ZINC000129150212 508691210 /nfs/dbraw/zinc/69/12/10/508691210.db2.gz XLMHCVZIXFZNHV-UHFFFAOYSA-N 0 0 373.431 2.877 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NOCCC(F)(F)F ZINC000158419146 508701504 /nfs/dbraw/zinc/70/15/04/508701504.db2.gz HEINSTMHBPVRIN-UHFFFAOYSA-N 0 0 361.364 2.549 20 10 FFCDRN CC(C)CO[C@H]1CCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000154084147 508714108 /nfs/dbraw/zinc/71/41/08/508714108.db2.gz AXDXEBHTRAJCGB-FKIZTMCRSA-N 0 0 358.482 2.810 20 10 FFCDRN C[N@@H+](Cc1ccc(N2CCCCC2)cc1)C[C@H](O)COC1CCOCC1 ZINC000154225195 508740266 /nfs/dbraw/zinc/74/02/66/508740266.db2.gz GTEHWZJORZFRMJ-FQEVSTJZSA-N 0 0 362.514 2.665 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc(C[S@@](C)=O)c3)CC2)cc1 ZINC000140200707 508801027 /nfs/dbraw/zinc/80/10/27/508801027.db2.gz FWQNNZOJQHYRKI-SANMLTNESA-N 0 0 372.490 2.536 20 10 FFCDRN CCCn1nc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1C ZINC000119802931 508866282 /nfs/dbraw/zinc/86/62/82/508866282.db2.gz WAYPCCWINOSAPD-UHFFFAOYSA-N 0 0 356.470 2.677 20 10 FFCDRN Cn1nccc1NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000124935468 508907950 /nfs/dbraw/zinc/90/79/50/508907950.db2.gz UJLVBCIZCSJJND-GFCCVEGCSA-N 0 0 365.384 2.812 20 10 FFCDRN Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000120057285 508918665 /nfs/dbraw/zinc/91/86/65/508918665.db2.gz NSXHKDQCGXKWHE-CYBMUJFWSA-N 0 0 364.423 2.561 20 10 FFCDRN CN(C)c1cccc(CNC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000120109574 508930544 /nfs/dbraw/zinc/93/05/44/508930544.db2.gz QDNNXQVDEXNSHQ-UHFFFAOYSA-N 0 0 351.454 2.523 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCc2nc(-c3ccoc3)no2)cc1F ZINC000151038871 508944964 /nfs/dbraw/zinc/94/49/64/508944964.db2.gz ICFMPZBFAIMMBR-UHFFFAOYSA-N 0 0 358.373 2.784 20 10 FFCDRN CS(=O)(=O)c1ccc([C@H](O)COc2ccc(N3CCCC3)cc2)cc1 ZINC000155251982 508958509 /nfs/dbraw/zinc/95/85/09/508958509.db2.gz OKVYVEUPPOABQW-LJQANCHMSA-N 0 0 361.463 2.803 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(N2CCOCC2)ccn1 ZINC000131823933 508973133 /nfs/dbraw/zinc/97/31/33/508973133.db2.gz LAPFBTQNMSMZLI-UHFFFAOYSA-N 0 0 355.438 2.676 20 10 FFCDRN CO[C@H](C)[C@H](C)NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000373624383 512431378 /nfs/dbraw/zinc/43/13/78/512431378.db2.gz TWBXJYFTGXPTFG-QWHCGFSZSA-N 0 0 371.428 2.979 20 10 FFCDRN CCn1nccc1/C=C/C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000151856695 509097313 /nfs/dbraw/zinc/09/73/13/509097313.db2.gz BEKPHYCDVYLSJV-QZEKMECESA-N 0 0 355.438 2.830 20 10 FFCDRN Cc1ccccc1[C@H](O)CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000156150999 509135537 /nfs/dbraw/zinc/13/55/37/509135537.db2.gz JHIYZRKSQPMVKF-OGECGYFKSA-N 0 0 366.461 2.695 20 10 FFCDRN Cc1cc(F)c(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)cc1F ZINC000121678412 509180431 /nfs/dbraw/zinc/18/04/31/509180431.db2.gz WCMQRQHSNYCPLV-UHFFFAOYSA-N 0 0 368.405 2.927 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CCOC1 ZINC000266789232 509194665 /nfs/dbraw/zinc/19/46/65/509194665.db2.gz STOSFZYRAGKOJW-NSHDSACASA-N 0 0 357.248 2.723 20 10 FFCDRN COc1cc(N2CCN(C(=O)c3ccccc3F)CC2)cc(OC)c1OC ZINC000185479305 509195910 /nfs/dbraw/zinc/19/59/10/509195910.db2.gz FFJCNOGFPXOAIU-UHFFFAOYSA-N 0 0 374.412 2.814 20 10 FFCDRN Cc1nc2n(n1)C[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)CC2 ZINC000266822086 509212053 /nfs/dbraw/zinc/21/20/53/509212053.db2.gz LSWANYSKOVWLOI-KRWDZBQOSA-N 0 0 370.501 2.588 20 10 FFCDRN Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c(C)n1-c1ccccn1 ZINC000162386574 509214375 /nfs/dbraw/zinc/21/43/75/509214375.db2.gz JZZSKZJJQNYUHL-IAGOWNOFSA-N 0 0 357.479 2.836 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3cnc4ccccc4n3)cc2)CC1 ZINC000191857822 509216386 /nfs/dbraw/zinc/21/63/86/509216386.db2.gz GULJLJNILWQEGM-UHFFFAOYSA-N 0 0 361.449 2.910 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccc3c(c2)OCCCO3)c1O ZINC000266881889 509239365 /nfs/dbraw/zinc/23/93/65/509239365.db2.gz WZJYXXMHAIEMDG-UHFFFAOYSA-N 0 0 358.394 2.562 20 10 FFCDRN COc1ccc(O)c(CNc2cccc(CN3CCN(C(C)=O)CC3)c2)c1 ZINC000188765997 509253399 /nfs/dbraw/zinc/25/33/99/509253399.db2.gz WSYWUGKICCMVIT-UHFFFAOYSA-N 0 0 369.465 2.677 20 10 FFCDRN COC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccc(C)o1 ZINC000266925309 509260545 /nfs/dbraw/zinc/26/05/45/509260545.db2.gz DFDUSKKOVBAYCN-SFHVURJKSA-N 0 0 373.453 2.612 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@H](c4ncc[nH]4)C3)ccc21 ZINC000263977420 509260699 /nfs/dbraw/zinc/26/06/99/509260699.db2.gz ZRKJTYQMUCZEQV-KRWDZBQOSA-N 0 0 353.470 2.881 20 10 FFCDRN CC(C)n1nccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000266947157 509272505 /nfs/dbraw/zinc/27/25/05/509272505.db2.gz LEJSCVOXOGRJAN-UHFFFAOYSA-N 0 0 369.469 2.660 20 10 FFCDRN CSc1nc(=O)[nH]c(C)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000266969525 509283451 /nfs/dbraw/zinc/28/34/51/509283451.db2.gz LBCULLQVRHOWPX-UHFFFAOYSA-N 0 0 358.467 2.743 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1[C@@H](C)C1CC1 ZINC000192085852 509339628 /nfs/dbraw/zinc/33/96/28/509339628.db2.gz BNQLTYFRYDVWHV-AWEZNQCLSA-N 0 0 370.453 2.937 20 10 FFCDRN O=C(CCn1cccn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173024851 509356017 /nfs/dbraw/zinc/35/60/17/509356017.db2.gz IXUDGFMOIQHXLF-CQSZACIVSA-N 0 0 364.396 2.660 20 10 FFCDRN CC(=O)N[C@H](CC(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000173194606 509448903 /nfs/dbraw/zinc/44/89/03/509448903.db2.gz RTTQTFWKQIFLPF-GOSISDBHSA-N 0 0 367.449 2.746 20 10 FFCDRN Cc1ccc(C(=O)N(C)[C@H]2CCN(c3ccccc3Cl)C2=O)c(O)c1O ZINC000179491494 509477070 /nfs/dbraw/zinc/47/70/70/509477070.db2.gz SRVSWOCOOHAOMQ-HNNXBMFYSA-N 0 0 374.824 2.937 20 10 FFCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCCS(C)(=O)=O ZINC000264391020 509499416 /nfs/dbraw/zinc/49/94/16/509499416.db2.gz HUBWSIFNOCGQTR-UHFFFAOYSA-N 0 0 363.277 2.622 20 10 FFCDRN CN(Cc1ccc(OCc2ccccc2)cc1O)[C@H]1CCS(=O)(=O)C1 ZINC000182937693 509506650 /nfs/dbraw/zinc/50/66/50/509506650.db2.gz VVAMXLITQMUFLD-KRWDZBQOSA-N 0 0 361.463 2.590 20 10 FFCDRN COC(=O)CN(Cc1cnn(C(C)C)c1)Cc1cc(Cl)ccc1O ZINC000179555545 509508926 /nfs/dbraw/zinc/50/89/26/509508926.db2.gz FYVBXWJHNRYOKA-UHFFFAOYSA-N 0 0 351.834 2.998 20 10 FFCDRN CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183068237 509576660 /nfs/dbraw/zinc/57/66/60/509576660.db2.gz WJVIEZMEPBDODZ-SFHVURJKSA-N 0 0 354.450 2.929 20 10 FFCDRN COc1cc(C(=O)NCCc2ccc(N)cc2)cc(OC)c1OC(F)F ZINC000237256880 509604811 /nfs/dbraw/zinc/60/48/11/509604811.db2.gz ZYCOUBRDLWPUPR-UHFFFAOYSA-N 0 0 366.364 2.860 20 10 FFCDRN CCN(Cc1ccncc1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264583347 509614513 /nfs/dbraw/zinc/61/45/13/509614513.db2.gz WEVVYJWLYLHMBI-VMPITWQZSA-N 0 0 351.450 2.980 20 10 FFCDRN COc1ccc([C@H]2[C@@H](C(=O)Nc3ccc(N)cc3)CCC(=O)N2C)cc1 ZINC000237380095 509635524 /nfs/dbraw/zinc/63/55/24/509635524.db2.gz VAZBFIILESHYEM-HKUYNNGSSA-N 0 0 353.422 2.826 20 10 FFCDRN CCC[C@@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000183220560 509663475 /nfs/dbraw/zinc/66/34/75/509663475.db2.gz AGFDWPGZVOWBGC-IAGOWNOFSA-N 0 0 364.461 2.874 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1ccccc1OC(F)F ZINC000186402204 509691707 /nfs/dbraw/zinc/69/17/07/509691707.db2.gz QEOJULLBPCDZBD-LLVKDONJSA-N 0 0 351.349 2.989 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(C(N)=O)o1 ZINC000268006273 509713641 /nfs/dbraw/zinc/71/36/41/509713641.db2.gz JEKVZEQXSMMRRX-UHFFFAOYSA-N 0 0 358.442 2.565 20 10 FFCDRN CN(C[C@H]1CCCC[C@@H]1O)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000183355717 509734813 /nfs/dbraw/zinc/73/48/13/509734813.db2.gz PNGSQPXGGJKCMH-YGQKLEOUSA-N 0 0 358.482 2.546 20 10 FFCDRN Nc1ccc(CC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000237902742 509767751 /nfs/dbraw/zinc/76/77/51/509767751.db2.gz ZFHKJMKVBQUZSO-LJQANCHMSA-N 0 0 373.884 2.654 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000183416323 509775916 /nfs/dbraw/zinc/77/59/16/509775916.db2.gz LVCYARLNYKAZCI-LBPRGKRZSA-N 0 0 354.406 2.807 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000183481686 509817755 /nfs/dbraw/zinc/81/77/55/509817755.db2.gz LTAYBUVCCSXRNN-JSGCOSHPSA-N 0 0 374.462 2.511 20 10 FFCDRN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000265125722 509874981 /nfs/dbraw/zinc/87/49/81/509874981.db2.gz DLZGQUNEMHAQEJ-DLBZAZTESA-N 0 0 360.502 2.541 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cccc(Cl)c1 ZINC000174062917 509929774 /nfs/dbraw/zinc/92/97/74/509929774.db2.gz OPGWAJMYAXVMPZ-UHFFFAOYSA-N 0 0 352.843 2.994 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3csc([N+](=O)[O-])c3)CC2)cc1F ZINC000177274242 509974339 /nfs/dbraw/zinc/97/43/39/509974339.db2.gz DURMSOHZIIYQRX-UHFFFAOYSA-N 0 0 365.386 2.766 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCC[C@H](C(=O)N(C)C)C2)c(C)n1-c1ccccn1 ZINC000265298205 509974974 /nfs/dbraw/zinc/97/49/74/509974974.db2.gz PDCVWPIJIKVFKO-IRXDYDNUSA-N 0 0 368.481 2.866 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H](CO)c1ccc(F)cc1 ZINC000265330533 509996426 /nfs/dbraw/zinc/99/64/26/509996426.db2.gz WYDGPISRFXMLSC-LJQANCHMSA-N 0 0 357.429 2.959 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@]34CCOC4=O)cc2)CC1 ZINC000187057584 510031929 /nfs/dbraw/zinc/03/19/29/510031929.db2.gz LZEBDCQDMGURJJ-OAQYLSRUSA-N 0 0 371.481 2.914 20 10 FFCDRN CSCc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000171337570 510089836 /nfs/dbraw/zinc/08/98/36/510089836.db2.gz VWJNSKWENLDNBW-UHFFFAOYSA-N 0 0 357.479 2.871 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(O)(Cc3cccc(F)c3)CC2)c(O)c1O ZINC000184032141 510095909 /nfs/dbraw/zinc/09/59/09/510095909.db2.gz ROCLUGUULCAHCW-UHFFFAOYSA-N 0 0 359.397 2.755 20 10 FFCDRN CCOC(=O)C(C)(C)n1cc(NC(=O)N(C)Cc2ccccc2O)cn1 ZINC000268904155 510128089 /nfs/dbraw/zinc/12/80/89/510128089.db2.gz PKAJAUGQPWYLAQ-UHFFFAOYSA-N 0 0 360.414 2.551 20 10 FFCDRN CC(C)Cc1nnc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000193930003 510134659 /nfs/dbraw/zinc/13/46/59/510134659.db2.gz WQFAUPFVMSWOHA-JTQLQIEISA-N 0 0 350.444 2.901 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1C[S@](C)=O ZINC000194005184 510172207 /nfs/dbraw/zinc/17/22/07/510172207.db2.gz DRVWIBBDWIZAOT-VDBVYFBLSA-N 0 0 362.451 2.729 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccnc(N3CCCC3)n2)C2CC2)cc1 ZINC000265733605 510200857 /nfs/dbraw/zinc/20/08/57/510200857.db2.gz YNVQKPGQYQHZAC-UHFFFAOYSA-N 0 0 365.481 2.948 20 10 FFCDRN CSc1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)o1 ZINC000190579668 510220071 /nfs/dbraw/zinc/22/00/71/510220071.db2.gz NHXVCEFOXRXDCF-UHFFFAOYSA-N 0 0 373.478 2.600 20 10 FFCDRN COc1cccc(CNC(=O)C(C)(C)NC(=O)Nc2ccccc2)c1O ZINC000269186967 510281145 /nfs/dbraw/zinc/28/11/45/510281145.db2.gz NCCZLIGZSZDWLJ-UHFFFAOYSA-N 0 0 357.410 2.617 20 10 FFCDRN CC(C)NC(=O)Nc1ccccc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000269211501 510294079 /nfs/dbraw/zinc/29/40/79/510294079.db2.gz OOPVPZWUQULNPC-UHFFFAOYSA-N 0 0 357.410 2.600 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cn(C)c(Cl)n1 ZINC000269277066 510320205 /nfs/dbraw/zinc/32/02/05/510320205.db2.gz JBIUMRORONHHME-UHFFFAOYSA-N 0 0 370.906 2.739 20 10 FFCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cnn2ccccc12 ZINC000171736642 510339463 /nfs/dbraw/zinc/33/94/63/510339463.db2.gz PHBSPABNDNXILI-XFXZXTDPSA-N 0 0 359.345 2.897 20 10 FFCDRN CCCc1n[nH]c(C(=O)NCc2ccc(N3CCCC3)cc2)c1[N+](=O)[O-] ZINC000171775286 510363105 /nfs/dbraw/zinc/36/31/05/510363105.db2.gz VUTPCWROGJEJDF-UHFFFAOYSA-N 0 0 357.414 2.801 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccnc1 ZINC000175003861 510430762 /nfs/dbraw/zinc/43/07/62/510430762.db2.gz GOPIRTWPBGZJSH-INIZCTEOSA-N 0 0 353.466 2.710 20 10 FFCDRN Cc1cc2c(ncnc2N2CCC[C@H]2C(=O)NCc2ccccc2O)s1 ZINC000269526894 510447219 /nfs/dbraw/zinc/44/72/19/510447219.db2.gz MCYOWUFWWUCMOF-HNNXBMFYSA-N 0 0 368.462 2.991 20 10 FFCDRN COc1cc(Cl)cc(CN2CCOC[C@@H]2C[C@H](O)c2ccco2)c1O ZINC000184703091 510473556 /nfs/dbraw/zinc/47/35/56/510473556.db2.gz WGVOSELQIGMMGZ-GJZGRUSLSA-N 0 0 367.829 2.972 20 10 FFCDRN COC(=O)CN(Cc1cc(OC)ccn1)Cc1cc(Cl)ccc1O ZINC000269624956 510488466 /nfs/dbraw/zinc/48/84/66/510488466.db2.gz JJKDMTCWLLCLGO-UHFFFAOYSA-N 0 0 350.802 2.624 20 10 FFCDRN Cc1nn(C)c2nc(C)cc(C(=O)N3CCOc4cc(N(C)C)ccc43)c12 ZINC000266303129 510507495 /nfs/dbraw/zinc/50/74/95/510507495.db2.gz AZNPJJKPEMTWAO-UHFFFAOYSA-N 0 0 365.437 2.690 20 10 FFCDRN Cc1cc(F)cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 ZINC000266316681 510513565 /nfs/dbraw/zinc/51/35/65/510513565.db2.gz YBVYMNSOBNXCAW-UHFFFAOYSA-N 0 0 362.426 2.621 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(C)Cc2ccc([S@@](C)=O)cc2)cc1 ZINC000175173397 510517455 /nfs/dbraw/zinc/51/74/55/510517455.db2.gz ZNEOXDJUFPOKJX-RUZDIDTESA-N 0 0 359.495 2.832 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCS(=O)(=O)C(C)(C)C)cc1 ZINC000172144384 510566360 /nfs/dbraw/zinc/56/63/60/510566360.db2.gz DWOVSHATURWALY-UHFFFAOYSA-N 0 0 369.531 2.545 20 10 FFCDRN Cc1ncc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)s1 ZINC000269917068 510598107 /nfs/dbraw/zinc/59/81/07/510598107.db2.gz AAXMDLKMJSXEOZ-UHFFFAOYSA-N 0 0 351.497 2.871 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)c1[O-] ZINC000269931343 510604419 /nfs/dbraw/zinc/60/44/19/510604419.db2.gz NDMYCOZCSCGTAK-ZBFHGGJFSA-N 0 0 366.801 2.528 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cc(C)c(C)s3)cc2)CC1 ZINC000188123029 510605778 /nfs/dbraw/zinc/60/57/78/510605778.db2.gz OXVUZIZPLNTHIJ-UHFFFAOYSA-N 0 0 371.506 2.963 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2c([N+](=O)[O-])ncn2C)cc1 ZINC000269942995 510610736 /nfs/dbraw/zinc/61/07/36/510610736.db2.gz HEALABQRYHYILN-INIZCTEOSA-N 0 0 359.430 2.580 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000270086845 510669594 /nfs/dbraw/zinc/66/95/94/510669594.db2.gz ALPJQOJNLFYKDJ-VDBVYFBLSA-N 0 0 362.451 2.699 20 10 FFCDRN C[C@@H]1CC[C@@H](CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1 ZINC000175541814 510674378 /nfs/dbraw/zinc/67/43/78/510674378.db2.gz SNJZHQYPVYTTAH-ZBFHGGJFSA-N 0 0 350.434 2.626 20 10 FFCDRN COCCN(C(C)=O)c1nc(CN(C)c2ccc3c(c2)OCO3)cs1 ZINC000270134045 510687730 /nfs/dbraw/zinc/68/77/30/510687730.db2.gz HLUSWXQKRNBLRL-UHFFFAOYSA-N 0 0 363.439 2.508 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](COCCOC)C2)cc1 ZINC000266635198 510700603 /nfs/dbraw/zinc/70/06/03/510700603.db2.gz ZOOVFHHXXNZIMQ-SFHVURJKSA-N 0 0 363.502 2.727 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000266681734 510726990 /nfs/dbraw/zinc/72/69/90/510726990.db2.gz CRKTVDJLKRXJRB-INIZCTEOSA-N 0 0 360.502 2.684 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(Cn2ccnn2)CC1 ZINC000178729210 510741616 /nfs/dbraw/zinc/74/16/16/510741616.db2.gz QYAPKTHWMHNAHW-UHFFFAOYSA-N 0 0 368.485 2.500 20 10 FFCDRN Cc1nn(C)cc1[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000172599459 510813391 /nfs/dbraw/zinc/81/33/91/510813391.db2.gz WKXJQTKZHGWCRB-PBHICJAKSA-N 0 0 372.469 2.886 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCS(=O)(=O)CC[C@@H]2C)cc1 ZINC000191770134 510821927 /nfs/dbraw/zinc/82/19/27/510821927.db2.gz WUOIALPBIVGOOX-AWEZNQCLSA-N 0 0 360.479 2.743 20 10 FFCDRN Cc1ccc(CN2CC[C@H](NC(=O)N(C)Cc3ccccc3O)C2=O)cc1 ZINC000188566417 510828109 /nfs/dbraw/zinc/82/81/09/510828109.db2.gz AWDWQDGYUFSLES-SFHVURJKSA-N 0 0 367.449 2.643 20 10 FFCDRN COc1ccccc1N1CC[C@H](CNC(=O)NCc2ccccc2O)C1 ZINC000263788167 510841265 /nfs/dbraw/zinc/84/12/65/510841265.db2.gz XRKCPCYGKKKSDU-OAHLLOKOSA-N 0 0 355.438 2.727 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(CO)(c2ccccc2)CC1 ZINC000293881965 510885787 /nfs/dbraw/zinc/88/57/87/510885787.db2.gz KPEIGLVRXOMHTB-VQHVLOKHSA-N 0 0 353.418 2.664 20 10 FFCDRN Cc1cc(C(=O)NCc2ncnn2C(C)(C)C)c(C)n1-c1ccccn1 ZINC000282226626 510893916 /nfs/dbraw/zinc/89/39/16/510893916.db2.gz VBCCXWXJRSLELZ-UHFFFAOYSA-N 0 0 352.442 2.766 20 10 FFCDRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(O)c(O)c1 ZINC000270530943 510897743 /nfs/dbraw/zinc/89/77/43/510897743.db2.gz FBADSPQPAHXRRS-LRDDRELGSA-N 0 0 366.458 2.696 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)c3ncn(C)n3)c2C)cc1 ZINC000275695928 510911128 /nfs/dbraw/zinc/91/11/28/510911128.db2.gz YDQMKWAMUFFYAE-ZDUSSCGKSA-N 0 0 353.426 2.722 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)CCc3nc(N(C)C)no3)cc2)CC1 ZINC000275798108 510917315 /nfs/dbraw/zinc/91/73/15/510917315.db2.gz XKUCMGWEPHCAES-UHFFFAOYSA-N 0 0 371.485 2.621 20 10 FFCDRN COc1ccc(N(Cc2nnc(S(C)(=O)=O)s2)[C@@H](C)C2CC2)cc1 ZINC000276259814 510931751 /nfs/dbraw/zinc/93/17/51/510931751.db2.gz ATLZSUKFJRPSMT-NSHDSACASA-N 0 0 367.496 2.755 20 10 FFCDRN Cc1cnc(Cl)c(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000276305518 510932267 /nfs/dbraw/zinc/93/22/67/510932267.db2.gz FLKMPHWUVBPTLA-UHFFFAOYSA-N 0 0 372.856 2.899 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C)[S@@](=O)CC2)cc1 ZINC000297442773 510946973 /nfs/dbraw/zinc/94/69/73/510946973.db2.gz RTPFEGGZMXIUKT-OWJWWREXSA-N 0 0 351.516 2.585 20 10 FFCDRN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000276885252 510948687 /nfs/dbraw/zinc/94/86/87/510948687.db2.gz BABNVYWCZJYQRU-AWEZNQCLSA-N 0 0 364.490 2.807 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000277062714 510953243 /nfs/dbraw/zinc/95/32/43/510953243.db2.gz JAMMCSMQMVYLGS-UPJWGTAASA-N 0 0 366.458 2.694 20 10 FFCDRN O=C1NC2(CCC2)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000277170697 510955405 /nfs/dbraw/zinc/95/54/05/510955405.db2.gz FVZOYHQZKVXJPR-ZDUSSCGKSA-N 0 0 365.380 2.731 20 10 FFCDRN O=C1[C@H]2CCCN2C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000277214869 510956949 /nfs/dbraw/zinc/95/69/49/510956949.db2.gz KZHZAZOWGGPJRO-DZGCQCFKSA-N 0 0 365.380 2.683 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(-c2cc[nH]n2)s1 ZINC000277268018 510958522 /nfs/dbraw/zinc/95/85/22/510958522.db2.gz RRDOCNGOTOENKR-UHFFFAOYSA-N 0 0 368.462 2.905 20 10 FFCDRN CC(C)OC(=O)CCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277252791 510958587 /nfs/dbraw/zinc/95/85/87/510958587.db2.gz PRFLKXRJUVMDHX-UHFFFAOYSA-N 0 0 368.817 2.542 20 10 FFCDRN CC1(C)[C@@H]2OCC[C@@H]2[C@@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277447255 510963905 /nfs/dbraw/zinc/96/39/05/510963905.db2.gz RBONQDQGZRPNNU-UHOFOFEASA-N 0 0 364.829 2.623 20 10 FFCDRN C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282406094 510964239 /nfs/dbraw/zinc/96/42/39/510964239.db2.gz CBTMFLBOGOAQDI-LLVKDONJSA-N 0 0 364.269 2.908 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000277489761 510964616 /nfs/dbraw/zinc/96/46/16/510964616.db2.gz QIMJJUUEBBNALL-YUTCNCBUSA-N 0 0 369.259 2.912 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[S@@](=O)C[C@H](C)C1 ZINC000277535619 510966140 /nfs/dbraw/zinc/96/61/40/510966140.db2.gz LTZUMZMJKUFSQV-SFDCACGMSA-N 0 0 350.509 2.996 20 10 FFCDRN CC(C)C[C@@H](CCO)CNC(=O)NCc1cccc(Br)c1O ZINC000277731675 510970947 /nfs/dbraw/zinc/97/09/47/510970947.db2.gz LEOZESHQQHKFGB-GFCCVEGCSA-N 0 0 373.291 2.999 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cccnn1 ZINC000278106120 510982061 /nfs/dbraw/zinc/98/20/61/510982061.db2.gz ARCHBYQAQOTKGA-UHFFFAOYSA-N 0 0 365.231 2.676 20 10 FFCDRN COc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1F ZINC000278563321 510998633 /nfs/dbraw/zinc/99/86/33/510998633.db2.gz BODOZLCRLJQHOF-UHFFFAOYSA-N 0 0 350.346 2.789 20 10 FFCDRN COc1c(O)c(CNc2ccc(CN3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000278631890 511001631 /nfs/dbraw/zinc/00/16/31/511001631.db2.gz GYVWXIQPVXDNLN-UHFFFAOYSA-N 0 0 373.365 2.873 20 10 FFCDRN COc1c(O)c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886421 511011756 /nfs/dbraw/zinc/01/17/56/511011756.db2.gz OZNOXZKRQUNOCZ-DZGCQCFKSA-N 0 0 362.382 2.990 20 10 FFCDRN CCN(C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)[C@H](C)c1cccnc1 ZINC000285790038 511015355 /nfs/dbraw/zinc/01/53/55/511015355.db2.gz UMQYRWHUCXTOSN-CQSZACIVSA-N 0 0 372.444 2.513 20 10 FFCDRN Cc1cc(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)on1 ZINC000285958921 511016180 /nfs/dbraw/zinc/01/61/80/511016180.db2.gz NKVAKHBKGOLNJV-UHFFFAOYSA-N 0 0 371.437 2.666 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000278986032 511016127 /nfs/dbraw/zinc/01/61/27/511016127.db2.gz IHOGLXLEMYFAQK-SFHVURJKSA-N 0 0 368.433 2.960 20 10 FFCDRN COc1cccc(CNc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1O ZINC000286119287 511019086 /nfs/dbraw/zinc/01/90/86/511019086.db2.gz USOTTWCTVVTCGB-UHFFFAOYSA-N 0 0 350.440 2.572 20 10 FFCDRN COC[C@H](O)CCNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000270901913 511020533 /nfs/dbraw/zinc/02/05/33/511020533.db2.gz RAIQFCDDSXORIN-DUPNKOKHSA-N 0 0 370.409 2.554 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@]3(CNC(=O)C3)C2)c(C)n1-c1cccc(C)c1 ZINC000279163813 511020817 /nfs/dbraw/zinc/02/08/17/511020817.db2.gz BRLSEUZRSWKWQY-NRFANRHFSA-N 0 0 351.450 2.755 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCc2c1cccc2O ZINC000286340065 511023222 /nfs/dbraw/zinc/02/32/22/511023222.db2.gz QTGAMTRWOYQXBX-KRWDZBQOSA-N 0 0 368.433 2.640 20 10 FFCDRN COC(=O)C(C)(C)CCNC(=O)NCc1cccc(Br)c1O ZINC000287003967 511038491 /nfs/dbraw/zinc/03/84/91/511038491.db2.gz RBKJUQCWJZVRKH-UHFFFAOYSA-N 0 0 373.247 2.543 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1[C@H]1CCCC1=O ZINC000271004811 511053320 /nfs/dbraw/zinc/05/33/20/511053320.db2.gz YQUJAXBLCPPYCC-IEJDHCNXSA-N 0 0 368.477 2.897 20 10 FFCDRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cc2c(cc1O)OCO2 ZINC000271051279 511069874 /nfs/dbraw/zinc/06/98/74/511069874.db2.gz VUYPBVAXEBJJPT-GFCCVEGCSA-N 0 0 363.435 2.717 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N(C)CCC(N)=O)cc2Cl)C1 ZINC000288368781 511073229 /nfs/dbraw/zinc/07/32/29/511073229.db2.gz DWJUBIYKJURFCU-ZDUSSCGKSA-N 0 0 366.893 2.593 20 10 FFCDRN C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000288439862 511075421 /nfs/dbraw/zinc/07/54/21/511075421.db2.gz DWIKKCVRIXNCKK-FOIQADDNSA-N 0 0 367.449 2.845 20 10 FFCDRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3cccc(O)c3O)ccc2NC1=O ZINC000279425153 511078856 /nfs/dbraw/zinc/07/88/56/511078856.db2.gz YRDSEEUDFXUJRJ-ZUZCIYMTSA-N 0 0 356.378 2.698 20 10 FFCDRN COc1ccc(C[C@H](CO)C[NH2+]Cc2cccc(Cl)c2[O-])cc1O ZINC000289433737 511100934 /nfs/dbraw/zinc/10/09/34/511100934.db2.gz LEJIWNCDADQYCS-ZDUSSCGKSA-N 0 0 351.830 2.701 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H](F)C2CN(C(=O)OC(C)(C)C)C2)cc1 ZINC000289405119 511101028 /nfs/dbraw/zinc/10/10/28/511101028.db2.gz TXCKNNSKWYYXRA-MRXNPFEDSA-N 0 0 365.449 2.574 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H](O)c1ccccn1 ZINC000279495546 511104656 /nfs/dbraw/zinc/10/46/56/511104656.db2.gz SBNBCYRXNZPBAW-HNNXBMFYSA-N 0 0 365.227 2.632 20 10 FFCDRN COc1ccccc1-n1c(SCC(=O)C(C)=O)nnc1N1CCCCC1 ZINC000289636180 511108139 /nfs/dbraw/zinc/10/81/39/511108139.db2.gz MRWHYAFZPJZUMW-UHFFFAOYSA-N 0 0 374.466 2.516 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)cc1 ZINC000297927939 511112398 /nfs/dbraw/zinc/11/23/98/511112398.db2.gz QZYNZNBLABFOQL-CQSZACIVSA-N 0 0 373.419 2.852 20 10 FFCDRN Nc1ccc(NC(=O)[C@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 ZINC000364889459 511136163 /nfs/dbraw/zinc/13/61/63/511136163.db2.gz WOUBNRSWTCAAPV-VQIMIIECSA-N 0 0 371.437 2.937 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2c(c1)NC(=O)CO2 ZINC000271270247 511143831 /nfs/dbraw/zinc/14/38/31/511143831.db2.gz NJKBHWOGBXNRRT-UHFFFAOYSA-N 0 0 368.437 2.529 20 10 FFCDRN Cc1noc(C)c1CO[C@@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000364942761 511168471 /nfs/dbraw/zinc/16/84/71/511168471.db2.gz UGMLJPCRTQTUSL-CSPWOOARSA-N 0 0 358.394 2.534 20 10 FFCDRN COc1ccc([C@H](OC)[C@@H](C)NC(=O)NCc2cccc(OC)c2O)cc1 ZINC000271370801 511180354 /nfs/dbraw/zinc/18/03/54/511180354.db2.gz JHZDVZLQUBYYQX-BFUOFWGJSA-N 0 0 374.437 2.985 20 10 FFCDRN CCc1n[nH]c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1Br ZINC000279722146 511189522 /nfs/dbraw/zinc/18/95/22/511189522.db2.gz LQUFTZAAXZKINS-MRVPVSSYSA-N 0 0 368.231 2.507 20 10 FFCDRN COCCOCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000291467456 511209575 /nfs/dbraw/zinc/20/95/75/511209575.db2.gz KEDLNOZHBBZAPK-UHFFFAOYSA-N 0 0 370.449 2.955 20 10 FFCDRN CC[C@](C)(OC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000279967489 511284186 /nfs/dbraw/zinc/28/41/86/511284186.db2.gz CYPDCBCHPNNCEZ-LPMFXHHGSA-N 0 0 352.450 2.871 20 10 FFCDRN CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2c(F)ccc(O)c2O)n1 ZINC000295134146 511293448 /nfs/dbraw/zinc/29/34/48/511293448.db2.gz ILJHAJMXWYAIJZ-JTQLQIEISA-N 0 0 367.377 2.626 20 10 FFCDRN COCCn1c(C)cc(C(=O)CSc2ncc(C(=O)OC)s2)c1C ZINC000295169489 511306905 /nfs/dbraw/zinc/30/69/05/511306905.db2.gz IFLONYRKAIVXOE-UHFFFAOYSA-N 0 0 368.480 2.969 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C2CC2)c1O ZINC000295257634 511340115 /nfs/dbraw/zinc/34/01/15/511340115.db2.gz NHXYPVKTBYDSJX-LBPRGKRZSA-N 0 0 364.442 2.805 20 10 FFCDRN COc1ccc(C2=NO[C@@H](CNC(=O)N(C)Cc3ccccc3O)C2)cc1 ZINC000283417207 511359528 /nfs/dbraw/zinc/35/95/28/511359528.db2.gz RHHAYOYFYJLBOX-QGZVFWFLSA-N 0 0 369.421 2.735 20 10 FFCDRN COC(=O)C1(c2ccc(S(=O)(=O)Nc3ccc(O)c(C)c3)cc2)CC1 ZINC000271944998 511379995 /nfs/dbraw/zinc/37/99/95/511379995.db2.gz MZDJFPRVNWKCQW-UHFFFAOYSA-N 0 0 361.419 2.706 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)/C=C/c3ccnn3C)cc2F)C[C@H](C)O1 ZINC000298865879 511436072 /nfs/dbraw/zinc/43/60/72/511436072.db2.gz QUWLFUHCTBGFRW-CJKAQPIMSA-N 0 0 372.444 2.502 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H]2CCOc3cc(OC)ccc32)c(O)c1 ZINC000365432473 511448389 /nfs/dbraw/zinc/44/83/89/511448389.db2.gz SXNFZSQMCFOABP-MRXNPFEDSA-N 0 0 358.394 2.732 20 10 FFCDRN C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1cccc(F)c1[O-] ZINC000272246351 511478592 /nfs/dbraw/zinc/47/85/92/511478592.db2.gz HLZLEIAUJKJCEH-UHFFFAOYSA-N 0 0 367.442 2.836 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)/C=C/c3ccncn3)cc2F)C[C@H](C)O1 ZINC000272262065 511483785 /nfs/dbraw/zinc/48/37/85/511483785.db2.gz QRABUFRXGSRYGH-PGXISHIXSA-N 0 0 370.428 2.559 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H]1CNC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000272453110 511494668 /nfs/dbraw/zinc/49/46/68/511494668.db2.gz NSDVLJZXMLWFFU-RCQQVGEISA-N 0 0 362.426 2.627 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000272493972 511496414 /nfs/dbraw/zinc/49/64/14/511496414.db2.gz SBXBLQPYDXXSRM-KVEVGEHQSA-N 0 0 362.426 2.531 20 10 FFCDRN COc1ccc(C[C@H](C)NC(=O)/C=C/c2ccc(O)c(O)c2)cc1OC ZINC000272480712 511496449 /nfs/dbraw/zinc/49/64/49/511496449.db2.gz QNFFRJYBCGIGMI-PPGNKHEKSA-N 0 0 357.406 2.876 20 10 FFCDRN O=C(NCCOC1CCCCC1)NCc1ccc(N2CCOCC2)cc1 ZINC000299091338 511510780 /nfs/dbraw/zinc/51/07/80/511510780.db2.gz GFLXZZBZBKQDPV-UHFFFAOYSA-N 0 0 361.486 2.672 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000273187429 511518827 /nfs/dbraw/zinc/51/88/27/511518827.db2.gz PEPIADYSZBOTGL-DAXOMENPSA-N 0 0 369.417 2.720 20 10 FFCDRN CC(C)NC(=O)Nc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000273164804 511519192 /nfs/dbraw/zinc/51/91/92/511519192.db2.gz LEOBABXSHRREHK-CYBMUJFWSA-N 0 0 371.437 2.989 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000273171239 511519555 /nfs/dbraw/zinc/51/95/55/511519555.db2.gz MIXNMSLFUALHBJ-WDEREUQCSA-N 0 0 372.446 2.892 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccccc1S(C)(=O)=O ZINC000273212908 511520321 /nfs/dbraw/zinc/52/03/21/511520321.db2.gz UHCJGHFQCKFMHP-UHFFFAOYSA-N 0 0 360.479 2.563 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(=O)[nH]n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000295829895 511528653 /nfs/dbraw/zinc/52/86/53/511528653.db2.gz QHLOUEREIAMRLF-UHFFFAOYSA-N 0 0 350.422 2.724 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H](O)CCc1ccccc1 ZINC000273563942 511535566 /nfs/dbraw/zinc/53/55/66/511535566.db2.gz NMBZQHOZBAFCRX-OAQYLSRUSA-N 0 0 365.477 2.856 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@H]1c1ccc[nH]1 ZINC000283936695 511549363 /nfs/dbraw/zinc/54/93/63/511549363.db2.gz HPELLDPMUSCQAX-IBGZPJMESA-N 0 0 366.465 2.595 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000292318245 511551352 /nfs/dbraw/zinc/55/13/52/511551352.db2.gz MCAKUGIMFQWLLL-SFHVURJKSA-N 0 0 374.481 2.596 20 10 FFCDRN CN(C)c1ccc(CNc2cccc(NC(=O)NCCC(N)=O)c2)cc1F ZINC000280743639 511585077 /nfs/dbraw/zinc/58/50/77/511585077.db2.gz XEKIWKKGQFLVLA-UHFFFAOYSA-N 0 0 373.432 2.501 20 10 FFCDRN Cc1noc(C)c1C(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000280749616 511587396 /nfs/dbraw/zinc/58/73/96/511587396.db2.gz HBPRXXKNGFBKQK-UHFFFAOYSA-N 0 0 357.454 2.722 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N(CCCO)Cc3ccccn3)ccc21 ZINC000280834017 511622097 /nfs/dbraw/zinc/62/20/97/511622097.db2.gz JYXAPHARRPCBSV-UHFFFAOYSA-N 0 0 368.481 2.558 20 10 FFCDRN COc1c([O-])c(C[NH+]2CCC(C3CCOCC3)CC2)ccc1[N+](=O)[O-] ZINC000365807147 511662730 /nfs/dbraw/zinc/66/27/30/511662730.db2.gz SKGVOCIJZYMBJN-UHFFFAOYSA-N 0 0 350.415 2.948 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000299571920 511664957 /nfs/dbraw/zinc/66/49/57/511664957.db2.gz UTRYYCWTYBTFAB-GOSISDBHSA-N 0 0 355.482 2.552 20 10 FFCDRN Cc1cc([N+](=O)[O-])ccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000299673801 511667278 /nfs/dbraw/zinc/66/72/78/511667278.db2.gz PUCQTGSZFSRCBD-UHFFFAOYSA-N 0 0 355.394 2.670 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC2(CCN2C(=O)c2cccc(O)c2O)CC1 ZINC000292673778 511681895 /nfs/dbraw/zinc/68/18/95/511681895.db2.gz BFIKTKWOQYWBMP-UHFFFAOYSA-N 0 0 362.426 2.713 20 10 FFCDRN CC1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C(N)=O)cc2)CC1 ZINC000301187083 511689030 /nfs/dbraw/zinc/68/90/30/511689030.db2.gz FINHTNLDOBSVDU-UHFFFAOYSA-N 0 0 369.425 2.937 20 10 FFCDRN CN(C)c1ccc(CNc2ncccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000301194760 511689728 /nfs/dbraw/zinc/68/97/28/511689728.db2.gz YHMZRSRZOIOOPA-UHFFFAOYSA-N 0 0 374.510 2.934 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)[C@H](C)c2ccccn2)cc1 ZINC000284363853 511698286 /nfs/dbraw/zinc/69/82/86/511698286.db2.gz ZODJWJFXNISILU-MRXNPFEDSA-N 0 0 368.481 2.764 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301713340 511701847 /nfs/dbraw/zinc/70/18/47/511701847.db2.gz YTXFCDTWYVUARR-UHFFFAOYSA-N 0 0 356.382 2.912 20 10 FFCDRN COC(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1C ZINC000301815991 511702465 /nfs/dbraw/zinc/70/24/65/511702465.db2.gz JBFXYJLOMRDUFA-UHFFFAOYSA-N 0 0 373.428 2.889 20 10 FFCDRN COC1CCN(c2ccc(CN3CCN(C(=O)C(C)C)CC3)cc2)CC1 ZINC000296455237 511749896 /nfs/dbraw/zinc/74/98/96/511749896.db2.gz IXIFSMMMMRYEPI-UHFFFAOYSA-N 0 0 359.514 2.602 20 10 FFCDRN COC1CCN(c2ccc(CN(C)CC(=O)Nc3cc(C)on3)cc2)CC1 ZINC000296504219 511770652 /nfs/dbraw/zinc/77/06/52/511770652.db2.gz LSOOGXXETYWWAT-UHFFFAOYSA-N 0 0 372.469 2.669 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2CCO[C@H](C)C2)cc1F ZINC000296584540 511807474 /nfs/dbraw/zinc/80/74/74/511807474.db2.gz FAQSFHDWVHYWNW-HIFRSBDPSA-N 0 0 358.479 2.659 20 10 FFCDRN Cc1ccccc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000284657065 511812427 /nfs/dbraw/zinc/81/24/27/511812427.db2.gz CMBPEAYIXYIEKV-QGZVFWFLSA-N 0 0 363.461 2.865 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCC(=O)c3ccccn3)CC2)cc1F ZINC000274534402 511866263 /nfs/dbraw/zinc/86/62/63/511866263.db2.gz ZKVXPJOZOKTHOH-UHFFFAOYSA-N 0 0 371.412 2.541 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C2CC2)[C@H]1c1ccnn1C)c1cc(F)ccc1O ZINC000284784856 511868513 /nfs/dbraw/zinc/86/85/13/511868513.db2.gz JAGQIHBWTYBGEV-CBLJQSSYSA-N 0 0 372.444 2.810 20 10 FFCDRN C[C@]1(C(=O)NCc2ccc(N)cc2)CCCN(C(=O)c2ccccc2)C1 ZINC000296831595 511915442 /nfs/dbraw/zinc/91/54/42/511915442.db2.gz BDMANKRPWMOLBJ-NRFANRHFSA-N 0 0 351.450 2.828 20 10 FFCDRN CC(C)(O)CCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000274909112 511984905 /nfs/dbraw/zinc/98/49/05/511984905.db2.gz IKSPEXIOCWZKBI-CYBMUJFWSA-N 0 0 371.428 2.717 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)cnc1OCC ZINC000297033659 511995164 /nfs/dbraw/zinc/99/51/64/511995164.db2.gz RSKFSTVWSIXAOI-UHFFFAOYSA-N 0 0 371.437 2.872 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000293619946 512028687 /nfs/dbraw/zinc/02/86/87/512028687.db2.gz ZJSHVOXSDRLQDX-LLVKDONJSA-N 0 0 354.406 2.689 20 10 FFCDRN COCCN1C(=O)CCc2cc(NCc3cc(OC)ccc3O)ccc21 ZINC000275128568 512050086 /nfs/dbraw/zinc/05/00/86/512050086.db2.gz JYDJPFUCVKBKBN-UHFFFAOYSA-N 0 0 356.422 2.939 20 10 FFCDRN COC(=O)[C@H](NCc1cc(OC)c(OC)cc1O)c1ccc(F)c(C)c1 ZINC000275166265 512061323 /nfs/dbraw/zinc/06/13/23/512061323.db2.gz VSEMLYYNTLNQPE-GOSISDBHSA-N 0 0 363.385 2.861 20 10 FFCDRN 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598618819 /nfs/dbraw/zinc/61/88/19/598618819.db2.gz MVOOONLEGBJAKZ-UHFFFAOYSA-N 0 0 362.397 2.558 20 10 FFCDRN O=C([O-])[C@@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000738548469 599956693 /nfs/dbraw/zinc/95/66/93/599956693.db2.gz HDPBIMIHOVSOBR-HNNXBMFYSA-N 0 0 366.211 2.593 20 10 FFCDRN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(F)cc1 ZINC000739794418 600315386 /nfs/dbraw/zinc/31/53/86/600315386.db2.gz ZBOXALPIAVHHFT-MRXNPFEDSA-N 0 0 353.777 2.805 20 10 FFCDRN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000833193911 604468266 /nfs/dbraw/zinc/46/82/66/604468266.db2.gz PGSYANBUPFJLKS-HXUWFJFHSA-N 0 0 370.424 2.674 20 10 FFCDRN CC(=O)N1CC[C@H](C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000833389860 604504504 /nfs/dbraw/zinc/50/45/04/604504504.db2.gz HCYVEHZVNCCISY-CQSZACIVSA-N 0 0 356.422 2.544 20 10 FFCDRN COc1ccc(O)c([C@@H](C)Nc2snc(Cl)c2-c2nn[nH]n2)c1 ZINC000826210323 608182376 /nfs/dbraw/zinc/18/23/76/608182376.db2.gz MUFAIVFNZCRCAH-ZCFIWIBFSA-N 0 0 352.807 2.864 20 10 FFCDRN Cc1ccc(-c2nn[nH]n2)c(N2CC=C(c3ccc(Cl)nc3)CC2)n1 ZINC000826274639 608296042 /nfs/dbraw/zinc/29/60/42/608296042.db2.gz XZGGSWRAICJRAZ-UHFFFAOYSA-N 0 0 353.817 2.912 20 10 FFCDRN O=C1[C@@H](Sc2nccs2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477585 609419917 /nfs/dbraw/zinc/41/99/17/609419917.db2.gz GZXYBOQZOGIBHT-LBPRGKRZSA-N 0 0 358.452 2.611 20 10 FFCDRN COc1cccc(O)c1CNc1ccc(OC(C)C)c(-c2nn[nH]n2)c1 ZINC000826217698 609491318 /nfs/dbraw/zinc/49/13/18/609491318.db2.gz YMZLIQCWZWGEOU-UHFFFAOYSA-N 0 0 355.398 2.980 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000154202321 728798509 /nfs/dbraw/zinc/79/85/09/728798509.db2.gz SWDRTTHMKYEBPZ-APWZRJJASA-N 0 0 361.511 2.555 20 10 FFCDRN Oc1cc2c(cc1CN1CCn3c(nnc3C(F)(F)F)C1)CCCC2 ZINC000160281685 728919676 /nfs/dbraw/zinc/91/96/76/728919676.db2.gz HMRPABVXJWXCPB-UHFFFAOYSA-N 0 0 352.360 2.897 20 10 FFCDRN COc1cc(CN(C)c2ccccc2S(=O)(=O)N(C)C)c(O)cc1C ZINC000160492235 728922426 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728477678 /nfs/dbraw/zinc/47/76/78/728477678.db2.gz UQNDUYBBFPBLJJ-UHFFFAOYSA-N 0 0 371.865 2.744 20 10 FFCDRN CN(C)c1ccc(CN(Cn2cc([N+](=O)[O-])cn2)CC(F)(F)F)cc1 ZINC000103461537 728496987 /nfs/dbraw/zinc/49/69/87/728496987.db2.gz OBNUELNHCRPREZ-UHFFFAOYSA-N 0 0 357.336 2.879 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCN(C)CC(F)(F)F)c1 ZINC000103512732 728497777 /nfs/dbraw/zinc/49/77/77/728497777.db2.gz ZBEYGVQZULKJRZ-NSHDSACASA-N 0 0 363.380 2.645 20 10 FFCDRN COc1csc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000747083368 735531651 /nfs/dbraw/zinc/53/16/51/735531651.db2.gz MWVDTESBRLWQTP-UHFFFAOYSA-N 0 0 362.451 2.638 20 10 FFCDRN O=C(COc1ccc([N+](=O)[O-])c(F)c1)NCCCSc1nccs1 ZINC000114374330 728559520 /nfs/dbraw/zinc/55/95/20/728559520.db2.gz DMOGKWJRXZIYKZ-UHFFFAOYSA-N 0 0 371.415 2.868 20 10 FFCDRN CCCCC(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115279788 728564608 /nfs/dbraw/zinc/56/46/08/728564608.db2.gz VJYJKMLBMRRFPX-QGZVFWFLSA-N 0 0 363.527 2.769 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CSc1nnc(-c2cccs2)n1C ZINC000120234295 728608080 /nfs/dbraw/zinc/60/80/80/728608080.db2.gz AEKRBWUCUJNSAP-UHFFFAOYSA-N 0 0 374.491 3.000 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1sccc1S(=O)(=O)C(F)F ZINC000120282604 728609223 /nfs/dbraw/zinc/60/92/23/728609223.db2.gz OHBNTPOODZVJGH-UHFFFAOYSA-N 0 0 361.391 2.722 20 10 FFCDRN COc1cc(Br)cc(CN[C@H](C)C(=O)OC(C)(C)C)c1O ZINC000123251468 728656801 /nfs/dbraw/zinc/65/68/01/728656801.db2.gz VBVBILGBKCSDLN-SECBINFHSA-N 0 0 360.248 2.983 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)NC[C@H]1CCCS1 ZINC000125279551 728681504 /nfs/dbraw/zinc/68/15/04/728681504.db2.gz VGYYPGSNYGXCIL-GOSISDBHSA-N 0 0 363.527 2.590 20 10 FFCDRN O=C(Nc1ccc(I)cc1)c1cccc(O)c1O ZINC000126173698 728694872 /nfs/dbraw/zinc/69/48/72/728694872.db2.gz PVTKWIIXEONHGP-UHFFFAOYSA-N 0 0 355.131 2.955 20 10 FFCDRN CC[S@@](=O)c1ccccc1C(=O)Nc1cccc(N2CCOCC2)c1 ZINC000131817047 728723071 /nfs/dbraw/zinc/72/30/71/728723071.db2.gz KWBDTETWZHFEPD-VWLOTQADSA-N 0 0 358.463 2.903 20 10 FFCDRN Cc1ccc([C@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC000132177429 728723801 /nfs/dbraw/zinc/72/38/01/728723801.db2.gz KEOVCOZXSLPCDY-CYBMUJFWSA-N 0 0 362.451 2.606 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)c3cccc(C)c3)CC2)cc1 ZINC000171045235 728995869 /nfs/dbraw/zinc/99/58/69/728995869.db2.gz MVLQJNCIPQNZMC-UHFFFAOYSA-N 0 0 360.479 2.951 20 10 FFCDRN COCCc1ccc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000751318011 735863732 /nfs/dbraw/zinc/86/37/32/735863732.db2.gz KAONVZGWGJFKIF-ZDUSSCGKSA-N 0 0 365.451 2.629 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCCCC(F)(F)F)c1 ZINC000751693339 735907922 /nfs/dbraw/zinc/90/79/22/735907922.db2.gz UAKMEZGBGRVQOE-UHFFFAOYSA-N 0 0 355.334 2.653 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cc2c(c([N+](=O)[O-])c1)OCO2 ZINC000778739377 738408856 /nfs/dbraw/zinc/40/88/56/738408856.db2.gz JKHSLSHIUKVMKP-UHFFFAOYSA-N 0 0 367.408 2.692 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@]1(C)C(=O)NCc1ccc(O)c(O)c1 ZINC000778920089 738421036 /nfs/dbraw/zinc/42/10/36/738421036.db2.gz 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Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2cc(Cl)ccc2O)[nH]n1 ZINC000857547845 730399170 /nfs/dbraw/zinc/39/91/70/730399170.db2.gz WQOPOKRJYYYXHK-UHFFFAOYSA-N 0 0 359.817 2.716 20 10 FFCDRN C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000857864245 730413155 /nfs/dbraw/zinc/41/31/55/730413155.db2.gz GJADKZJGVIURBU-BXKDBHETSA-N 0 0 364.243 2.860 20 10 FFCDRN COCCNS(=O)(=O)c1cccc(NCc2c(O)cccc2Cl)c1 ZINC000858339171 730423224 /nfs/dbraw/zinc/42/32/24/730423224.db2.gz QNCVGPFDFCNCGG-UHFFFAOYSA-N 0 0 370.858 2.582 20 10 FFCDRN CC[C@@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cccc(Cl)c1[O-] ZINC000858465913 730426505 /nfs/dbraw/zinc/42/65/05/730426505.db2.gz QGRITCHIIRMCOK-APWZRJJASA-N 0 0 368.905 2.702 20 10 FFCDRN Cc1cc(CNC(=O)N2C[C@@H]3C[C@H]2C[S@]3=O)c(C)n1-c1ccccc1 ZINC000858905648 730436273 /nfs/dbraw/zinc/43/62/73/730436273.db2.gz BYJSXNOCSPSJTD-DPOKWSEZSA-N 0 0 357.479 2.509 20 10 FFCDRN CC(C)CN1CCN(C(=O)NCCCSc2nccs2)[C@H](C)C1=O ZINC000779632271 738473266 /nfs/dbraw/zinc/47/32/66/738473266.db2.gz 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[O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000883147242 733342344 /nfs/dbraw/zinc/34/23/44/733342344.db2.gz PEFAHISPJXNAQG-JTQLQIEISA-N 0 0 353.182 2.723 20 10 FFCDRN Cn1cnc(CCC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])n1 ZINC000883152067 733343190 /nfs/dbraw/zinc/34/31/90/733343190.db2.gz HVWARQYQSYSPES-UHFFFAOYSA-N 0 0 359.655 2.659 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC[C@H]2CCCS2(=O)=O)c1 ZINC000883298353 733362855 /nfs/dbraw/zinc/36/28/55/733362855.db2.gz PYZZSIDRGWIQNT-GFCCVEGCSA-N 0 0 362.289 2.520 20 10 FFCDRN C[C@H](NC(=O)NC[C@@H](O)C(F)(F)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000883627906 733414146 /nfs/dbraw/zinc/41/41/46/733414146.db2.gz SZXAXZMZBWYZOQ-JOYOIKCWSA-N 0 0 369.334 2.671 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCS1 ZINC000927260538 738711897 /nfs/dbraw/zinc/71/18/97/738711897.db2.gz LVSXHFONGRWVKG-DOTOQJQBSA-N 0 0 363.527 2.949 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1C[C@@H]2CSC[C@@H]2C1 ZINC000884084409 733477070 /nfs/dbraw/zinc/47/70/70/733477070.db2.gz 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ZINC000887767585 733973439 /nfs/dbraw/zinc/97/34/39/733973439.db2.gz PMOYVIAKVRNDMF-UHFFFAOYSA-N 0 0 363.259 2.588 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1=CC(=O)CS1)C2 ZINC000890754089 734335761 /nfs/dbraw/zinc/33/57/61/734335761.db2.gz MGBRLXWVUMFUJR-SRVKXCTJSA-N 0 0 352.456 2.972 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000890759909 734336798 /nfs/dbraw/zinc/33/67/98/734336798.db2.gz VNRIYRXMHIKNJQ-LJQANCHMSA-N 0 0 358.825 2.510 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@]12CC[C@H]1CCN2C(=O)C1=CC(=O)CS1 ZINC000890819125 734342765 /nfs/dbraw/zinc/34/27/65/734342765.db2.gz PHRZHCMSYANFKL-APPDUMDISA-N 0 0 352.456 2.973 20 10 FFCDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(F)cccc2F)c(O)c1O ZINC000727005191 734459250 /nfs/dbraw/zinc/45/92/50/734459250.db2.gz JXMNVUKZABFRCU-SECBINFHSA-N 0 0 351.305 2.868 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCC(CCO)CC1 ZINC000730118139 734616995 /nfs/dbraw/zinc/61/69/95/734616995.db2.gz SPZRZZLTMGNHTO-UHFFFAOYSA-N 0 0 363.527 2.544 20 10 FFCDRN Oc1ccccc1CN(C[C@H]1CCCO1)c1nc(Cl)nc2nc[nH]c21 ZINC000893018199 734638680 /nfs/dbraw/zinc/63/86/80/734638680.db2.gz GISLTAMJMOJVDI-GFCCVEGCSA-N 0 0 359.817 2.898 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)N(C)[C@H](C)C2CC2)cc1F ZINC000731356739 734675466 /nfs/dbraw/zinc/67/54/66/734675466.db2.gz QHXHCNARVKVWGW-CYBMUJFWSA-N 0 0 357.495 2.737 20 10 FFCDRN O=C(COC(=O)C1=CC(=O)CS1)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000731909663 734704851 /nfs/dbraw/zinc/70/48/51/734704851.db2.gz IFRWSBKKNAJLGT-UHFFFAOYSA-N 0 0 356.743 2.811 20 10 FFCDRN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)c1C ZINC000731909667 734704909 /nfs/dbraw/zinc/70/49/09/734704909.db2.gz ILMUXRWZRLNYMD-VIFPVBQESA-N 0 0 351.380 2.613 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCC(C2N=NC(=S)N2C2CC2)CC1 ZINC000732287968 734730937 /nfs/dbraw/zinc/73/09/37/734730937.db2.gz KEUPASHILNRCQZ-UHFFFAOYSA-N 0 0 350.469 2.689 20 10 FFCDRN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893908918 734770927 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Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1CCCS(=O)(=O)C1 ZINC000733876765 734855424 /nfs/dbraw/zinc/85/54/24/734855424.db2.gz NEMHWMMWOACDNW-INIZCTEOSA-N 0 0 360.479 2.710 20 10 FFCDRN O=C(Cc1n[nH]c(=O)c2ccccc12)NCCCSc1nccs1 ZINC000733973775 734865004 /nfs/dbraw/zinc/86/50/04/734865004.db2.gz WPZSAZHFUDCHIT-UHFFFAOYSA-N 0 0 360.464 2.633 20 10 FFCDRN O=C(CNC(=O)Nc1ccccc1)NCCCSc1nccs1 ZINC000733973989 734865083 /nfs/dbraw/zinc/86/50/83/734865083.db2.gz CDBQHRDQKKZHFY-UHFFFAOYSA-N 0 0 350.469 2.563 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cnc(-c2ncccn2)s1 ZINC000734405104 734894281 /nfs/dbraw/zinc/89/42/81/734894281.db2.gz CBKILOPMBFTCQJ-UHFFFAOYSA-N 0 0 353.451 2.905 20 10 FFCDRN NS(=O)(=O)CCCN1CCCc2cc(OCc3ccccc3)ccc21 ZINC000734485467 734898549 /nfs/dbraw/zinc/89/85/49/734898549.db2.gz JIDCWXRRWJWIJX-UHFFFAOYSA-N 0 0 360.479 2.697 20 10 FFCDRN C[C@@H]1CCC[C@H](CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000734558765 734902863 /nfs/dbraw/zinc/90/28/63/734902863.db2.gz WVLXZWPFHPNADB-CHWSQXEVSA-N 0 0 354.472 2.710 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2csc(Nc3ccccn3)n2)c1 ZINC000736680344 734992990 /nfs/dbraw/zinc/99/29/90/734992990.db2.gz HCLRNKBOZCHGHW-UHFFFAOYSA-N 0 0 356.407 2.926 20 10 FFCDRN C[C@@H](CNC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)CC(F)F ZINC000895493651 735015370 /nfs/dbraw/zinc/01/53/70/735015370.db2.gz VFSSAKRDAGVLCC-CJNGLKHVSA-N 0 0 356.461 2.946 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1cc(Cl)ccc1[N+](=O)[O-] ZINC000739426002 735051378 /nfs/dbraw/zinc/05/13/78/735051378.db2.gz RUSWKGUWBXCASL-WQLSENKSSA-N 0 0 353.787 2.551 20 10 FFCDRN CS(=O)(=O)C1(CNC(=O)NCc2cccc(Cl)c2O)CCCCC1 ZINC000895780976 735054931 /nfs/dbraw/zinc/05/49/31/735054931.db2.gz WGVRRNOWCGIAQC-UHFFFAOYSA-N 0 0 374.890 2.592 20 10 FFCDRN Cc1cc(CS(=O)(=O)N(Cc2ccccc2O)C2CCCC2)no1 ZINC000739962929 735063868 /nfs/dbraw/zinc/06/38/68/735063868.db2.gz QUUJONWSWZUWNT-UHFFFAOYSA-N 0 0 350.440 2.963 20 10 FFCDRN CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(F)c(N(C)C)cc1F ZINC000895867370 735067402 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CCOCCNC(=S)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743015720 735269977 /nfs/dbraw/zinc/26/99/77/735269977.db2.gz MULIDHXECOPVRY-ZDUSSCGKSA-N 0 0 373.469 2.757 20 10 FFCDRN CC[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H](C)[S@@]1=O ZINC000897735071 735271007 /nfs/dbraw/zinc/27/10/07/735271007.db2.gz LHVVJXWTXJPVOE-CXDSXEGVSA-N 0 0 353.465 2.684 20 10 FFCDRN Cc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1NS(C)(=O)=O ZINC000743149683 735280656 /nfs/dbraw/zinc/28/06/56/735280656.db2.gz MSJMYPLTLJDXJK-UHFFFAOYSA-N 0 0 363.439 2.736 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cnn(C2CCC2)c1 ZINC000900139365 735605657 /nfs/dbraw/zinc/60/56/57/735605657.db2.gz XJLZKJYWJKHURR-UHFFFAOYSA-N 0 0 360.801 2.936 20 10 FFCDRN O=C(NCc1ccc(OCC(F)(F)F)nc1)NCc1ccccc1O ZINC000748461543 735646843 /nfs/dbraw/zinc/64/68/43/735646843.db2.gz ZNPRLSIFTXRHBF-UHFFFAOYSA-N 0 0 355.316 2.728 20 10 FFCDRN CC[C@H](O)[C@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000900509833 735654758 /nfs/dbraw/zinc/65/47/58/735654758.db2.gz 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736131292 /nfs/dbraw/zinc/13/12/92/736131292.db2.gz JWIWUPYFVMGHGB-CMJOXMDJSA-N 0 0 353.875 2.568 20 10 FFCDRN Nc1ccc(NC(=O)N2CCCS(=O)(=O)C[C@H]2c2ccccc2)cc1 ZINC000904499980 736255982 /nfs/dbraw/zinc/25/59/82/736255982.db2.gz HTWLYUAXVJRGPG-KRWDZBQOSA-N 0 0 359.451 2.663 20 10 FFCDRN Cc1csc([C@](O)(CC(=O)NCCc2ccc(N)cc2)C(F)(F)F)n1 ZINC000904925612 736282013 /nfs/dbraw/zinc/28/20/13/736282013.db2.gz JNFFPASEBPQJNU-OAHLLOKOSA-N 0 0 373.400 2.533 20 10 FFCDRN COCCOCCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756360702 736324953 /nfs/dbraw/zinc/32/49/53/736324953.db2.gz VJQJSLSXDSQZRP-JTQLQIEISA-N 0 0 350.228 2.998 20 10 FFCDRN C[C@H]([NH2+]CCS(C)(=O)=O)c1cc(Br)cc(Cl)c1[O-] ZINC000756503874 736336909 /nfs/dbraw/zinc/33/69/09/736336909.db2.gz NQSFWLGACASICZ-ZETCQYMHSA-N 0 0 356.669 2.503 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCN(C)C(=O)OC(C)(C)C)c1 ZINC000756525202 736338906 /nfs/dbraw/zinc/33/89/06/736338906.db2.gz APBMVASWOSMWOM-GFCCVEGCSA-N 0 0 352.431 2.696 20 10 FFCDRN C[C@H]([NH2+]CCOC[C@@H]1CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000756563246 736343658 /nfs/dbraw/zinc/34/36/58/736343658.db2.gz MKYCPEDGMGJEJP-WDEREUQCSA-N 0 0 362.239 2.998 20 10 FFCDRN C[C@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756738487 736356969 /nfs/dbraw/zinc/35/69/69/736356969.db2.gz QFSOMTNTRXHAMD-BJOHPYRUSA-N 0 0 362.239 2.732 20 10 FFCDRN C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cc(Br)cc(F)c1[O-] ZINC000756761767 736359624 /nfs/dbraw/zinc/35/96/24/736359624.db2.gz VCSHDKDPICMFNM-PKFCDNJMSA-N 0 0 361.255 2.664 20 10 FFCDRN C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cc(Br)cc(Cl)c1[O-] ZINC000756768355 736360021 /nfs/dbraw/zinc/36/00/21/736360021.db2.gz DBWUXZMTLQSQQI-JGVFFNPUSA-N 0 0 370.696 2.892 20 10 FFCDRN C[C@@H]([NH2+]CC(=O)NCC1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000757631155 736414520 /nfs/dbraw/zinc/41/45/20/736414520.db2.gz BXZFHEXQXSYVFP-MRVPVSSYSA-N 0 0 361.667 2.985 20 10 FFCDRN O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000757956077 736439606 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ZINC000834750496 745893610 /nfs/dbraw/zinc/89/36/10/745893610.db2.gz GIGMKAIVDCCEMI-AWEZNQCLSA-N 0 0 367.540 2.923 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc21)c1cc(F)cc(F)c1[O-] ZINC000834828772 745909779 /nfs/dbraw/zinc/90/97/79/745909779.db2.gz ZETRNCDIBXRXQQ-QWRGUYRKSA-N 0 0 353.390 2.892 20 10 FFCDRN C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1ccc(F)cc1[O-] ZINC000834840306 745912374 /nfs/dbraw/zinc/91/23/74/745912374.db2.gz IVZUGPQWQMXQKI-JTQLQIEISA-N 0 0 355.207 2.806 20 10 FFCDRN Cn1cc(I)c(CN[C@H]2CCc3cccc(O)c32)n1 ZINC000834900904 745921596 /nfs/dbraw/zinc/92/15/96/745921596.db2.gz TTXIQWJJWHDDKM-NSHDSACASA-N 0 0 369.206 2.507 20 10 FFCDRN Cn1cc(I)c(CN[C@@H]2CCc3cccc(O)c32)n1 ZINC000834900902 745921859 /nfs/dbraw/zinc/92/18/59/745921859.db2.gz TTXIQWJJWHDDKM-LLVKDONJSA-N 0 0 369.206 2.507 20 10 FFCDRN CO[C@@H]([C@@H](C)NC(=O)NCc1ccc(N2CCSCC2)cc1)C1CC1 ZINC000836241186 746172774 /nfs/dbraw/zinc/17/27/74/746172774.db2.gz CZEKNZIPVOVJPT-KDOFPFPSSA-N 0 0 363.527 2.853 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cccnc1Cl ZINC000837706485 746503008 /nfs/dbraw/zinc/50/30/08/746503008.db2.gz QLUKDSVQMOJJFD-UHFFFAOYSA-N 0 0 367.783 2.780 20 10 FFCDRN CCSCCCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838579295 746671312 /nfs/dbraw/zinc/67/13/12/746671312.db2.gz SBMPWDOMKQSDIK-UHFFFAOYSA-N 0 0 373.469 2.744 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1ccccc1O)c1ncc(Br)cn1 ZINC000838604742 746675415 /nfs/dbraw/zinc/67/54/15/746675415.db2.gz MXVSGLFDGXSUDD-SNVBAGLBSA-N 0 0 365.231 2.847 20 10 FFCDRN CC(C)[C@@H]1CCN1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838738959 746703698 /nfs/dbraw/zinc/70/36/98/746703698.db2.gz HRHSGWCVRCIMFV-INIZCTEOSA-N 0 0 353.413 2.741 20 10 FFCDRN CO[C@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)C12CCC2 ZINC000838766331 746709168 /nfs/dbraw/zinc/70/91/68/746709168.db2.gz PIAWGFRMXUDILY-KGLIPLIRSA-N 0 0 369.259 2.912 20 10 FFCDRN C[C@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)CC(=O)N1 ZINC000839129474 746782793 /nfs/dbraw/zinc/78/27/93/746782793.db2.gz NYHJNJMRWWQIQS-ZDUSSCGKSA-N 0 0 366.303 2.760 20 10 FFCDRN COc1cc(Br)cc(CN2CC(C(=O)OC(C)(C)C)C2)c1O ZINC000839132898 746784020 /nfs/dbraw/zinc/78/40/20/746784020.db2.gz HACJFNYQKGRXDO-UHFFFAOYSA-N 0 0 372.259 2.937 20 10 FFCDRN O=C(C(=O)N1CCSCC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000839212828 746801065 /nfs/dbraw/zinc/80/10/65/746801065.db2.gz OUWFUMGLJIQPOR-UHFFFAOYSA-N 0 0 362.495 2.629 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cnc(C(C)=O)s3)CC2)cc1 ZINC000839628449 746875551 /nfs/dbraw/zinc/87/55/51/746875551.db2.gz STXSWSZTXXEUBE-UHFFFAOYSA-N 0 0 359.451 2.753 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCc3nnc(C4CC4)s3)ccc21 ZINC000840275348 747054354 /nfs/dbraw/zinc/05/43/54/747054354.db2.gz OMVSCQSOBQQAKF-UHFFFAOYSA-N 0 0 357.483 2.797 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1nnc(C2CC2)s1 ZINC000840325616 747065789 /nfs/dbraw/zinc/06/57/89/747065789.db2.gz ZSLXCKCCCFTYEB-UHFFFAOYSA-N 0 0 355.514 2.854 20 10 FFCDRN COCC[C@@H](C)CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000840401987 747085349 /nfs/dbraw/zinc/08/53/49/747085349.db2.gz 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CO[C@H]([C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C1CC1 ZINC000842258261 747558741 /nfs/dbraw/zinc/55/87/41/747558741.db2.gz QJOGKGXIFKULLC-QLJPJBMISA-N 0 0 352.818 2.623 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)c1 ZINC000842758971 747680201 /nfs/dbraw/zinc/68/02/01/747680201.db2.gz OZXQVFGALNGDAU-MRXNPFEDSA-N 0 0 358.276 2.730 20 10 FFCDRN Cc1cc(C(=O)N(C)[C@H](C)CO)c(C)n1-c1ccc(Br)cn1 ZINC000843839092 747908679 /nfs/dbraw/zinc/90/86/79/747908679.db2.gz XCQNFHDHYKBRGZ-LLVKDONJSA-N 0 0 366.259 2.704 20 10 FFCDRN CCOC(=O)C1(C(=O)NCc2cccc(Br)c2O)CCCC1 ZINC000843868101 747916182 /nfs/dbraw/zinc/91/61/82/747916182.db2.gz XHVRBTJDXNLISJ-UHFFFAOYSA-N 0 0 370.243 2.894 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@]3(CCSC3)C2)c(C)n1-c1ccccn1 ZINC000843946730 747939337 /nfs/dbraw/zinc/93/93/37/747939337.db2.gz QYJVKXWDFZJZLG-IBGZPJMESA-N 0 0 357.479 2.837 20 10 FFCDRN C[C@@H](C[C@H](C)NC(=O)c1c(F)ccc(O)c1O)NC(=O)OC(C)(C)C ZINC000844145672 747978153 /nfs/dbraw/zinc/97/81/53/747978153.db2.gz CDSOJWKKXWULAP-UWVGGRQHSA-N 0 0 356.394 2.659 20 10 FFCDRN O=C1/C(=C\c2cccc3c2CCC3)SC(=S)N1CCN1CCOCC1 ZINC000844268899 747994370 /nfs/dbraw/zinc/99/43/70/747994370.db2.gz SZJVHWIITYMBQG-GHRIWEEISA-N 0 0 374.531 2.709 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(S(=O)(=O)NC3CC3)cc2)cc1F ZINC000844301933 747999807 /nfs/dbraw/zinc/99/98/07/747999807.db2.gz AUOFNMBZOUUENQ-UHFFFAOYSA-N 0 0 364.442 2.911 20 10 FFCDRN COc1ccc(N(C)CC(=O)N2CCN(Cc3ccsc3)CC2)cc1 ZINC000844352822 748009936 /nfs/dbraw/zinc/00/99/36/748009936.db2.gz JSAVPFVCESUPLR-UHFFFAOYSA-N 0 0 359.495 2.537 20 10 FFCDRN CO[C@@H](CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC000844352090 748010060 /nfs/dbraw/zinc/01/00/60/748010060.db2.gz SLFNEHYMAQWJHE-DOMZBBRYSA-N 0 0 360.376 2.668 20 10 FFCDRN Cc1cc(C(=O)CN2C[C@@H]3C[C@H]2C[S@]3=O)c(C)n1-c1ccc(F)cc1 ZINC000844435096 748028584 /nfs/dbraw/zinc/02/85/84/748028584.db2.gz VLGRTHCBERRWMF-XOWTYJCDSA-N 0 0 360.454 2.621 20 10 FFCDRN CO[C@@H]1CCC[C@H]([C@@H]2NC(=O)N(CCCSc3nccs3)C2=O)C1 ZINC000844715354 748081702 /nfs/dbraw/zinc/08/17/02/748081702.db2.gz HZNMEBCGYMQGSM-XQQFMLRXSA-N 0 0 369.512 2.751 20 10 FFCDRN O=C(CCNC(=O)NCc1cc(Cl)ccc1O)NC1CCCCC1 ZINC000844904954 748132928 /nfs/dbraw/zinc/13/29/28/748132928.db2.gz FUYWAVCWOACWKU-UHFFFAOYSA-N 0 0 353.850 2.684 20 10 FFCDRN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845123393 748184795 /nfs/dbraw/zinc/18/47/95/748184795.db2.gz CATHWOCSHJMQBW-VXGBXAGGSA-N 0 0 369.849 2.712 20 10 FFCDRN CCC[C@@H](C)S(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000845869913 748340256 /nfs/dbraw/zinc/34/02/56/748340256.db2.gz HJSWBTZTBDHPDW-OAHLLOKOSA-N 0 0 354.516 2.503 20 10 FFCDRN COCC1(CS(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC000845944764 748358836 /nfs/dbraw/zinc/35/88/36/748358836.db2.gz GLCPFZFLZCPASF-MRXNPFEDSA-N 0 0 368.543 2.728 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)c2cccc(F)c2)cc1 ZINC000845988083 748376046 /nfs/dbraw/zinc/37/60/46/748376046.db2.gz QJZLNIJUZVUHHO-UHFFFAOYSA-N 0 0 352.431 2.591 20 10 FFCDRN C[C@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)cc(F)c1[O-] ZINC000846212162 748431775 /nfs/dbraw/zinc/43/17/75/748431775.db2.gz LAFZUYZTXUQCFW-BONVTDFDSA-N 0 0 362.239 2.876 20 10 FFCDRN CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1cc(Cl)ccc1O ZINC000846477295 748488867 /nfs/dbraw/zinc/48/88/67/748488867.db2.gz RVLXTYREHYJDBD-LRDDRELGSA-N 0 0 367.877 2.882 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1nnn(C2CC2)c1C(F)(F)F ZINC000846477900 748489737 /nfs/dbraw/zinc/48/97/37/748489737.db2.gz XEANRBWKOXQXLM-UHFFFAOYSA-N 0 0 360.723 2.921 20 10 FFCDRN CCOC(=O)CCCNC(=O)CN(C)c1ccc(-c2nccs2)cc1 ZINC000846992897 748593731 /nfs/dbraw/zinc/59/37/31/748593731.db2.gz NWYCTWAOTXWLGQ-UHFFFAOYSA-N 0 0 361.467 2.706 20 10 FFCDRN COc1cc(Br)cc([C@@H](C)Nc2cnn(CCO)c2)c1O ZINC000848540338 748954458 /nfs/dbraw/zinc/95/44/58/748954458.db2.gz SKOPBYCIMVZWST-SECBINFHSA-N 0 0 356.220 2.525 20 10 FFCDRN CO[C@H](CS(=O)(=O)Oc1ccc2c(c1)c(C)c(C)n2C)[C@@H]1CCOC1 ZINC000849399507 749133243 /nfs/dbraw/zinc/13/32/43/749133243.db2.gz 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Nc1ccc([N+](=O)[O-])c(NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000192781060 509642187 /nfs/dbraw/zinc/64/21/87/509642187.db2.gz AHULGXFIEMYRGY-UHFFFAOYSA-N 0 0 356.426 2.998 20 10 FFCDRN Nc1ccc(CC(=O)N[C@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 ZINC000168590633 509648467 /nfs/dbraw/zinc/64/84/67/509648467.db2.gz ZYULACBEKDYYOZ-INIZCTEOSA-N 0 0 359.420 2.870 20 10 FFCDRN COc1ccc(N(CC(=O)N2CCC3(CC2)OCCO3)[C@H](C)C2CC2)cc1 ZINC000264716691 509663206 /nfs/dbraw/zinc/66/32/06/509663206.db2.gz NVFPZRDNZCXMFQ-MRXNPFEDSA-N 0 0 374.481 2.666 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000264775144 509697609 /nfs/dbraw/zinc/69/76/09/509697609.db2.gz SNZGHIDBLVBRIH-DSJULSIBSA-N 0 0 356.466 2.706 20 10 FFCDRN CN(C)[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000264779137 509700855 /nfs/dbraw/zinc/70/08/55/509700855.db2.gz TWLFUWFUWJLDFR-QPGLYAHGSA-N 0 0 369.465 2.549 20 10 FFCDRN Nc1ccc(CC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)cc1 ZINC000237904121 509769933 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C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@H]1CC[C@H](C(N)=O)O1 ZINC000193754956 510051861 /nfs/dbraw/zinc/05/18/61/510051861.db2.gz YNWNEFBYBYZRNW-GDIGMMSISA-N 0 0 368.433 2.515 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@H]2COC(=O)C2)cc1 ZINC000268774191 510091701 /nfs/dbraw/zinc/09/17/01/510091701.db2.gz UTSGPPPHOVHUSJ-MRXNPFEDSA-N 0 0 356.422 2.828 20 10 FFCDRN CCN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@H]1CCN(c2ccccc2)C1=O ZINC000180769392 510100377 /nfs/dbraw/zinc/10/03/77/510100377.db2.gz BEERGNDLJQNTPB-KAMXEHQASA-N 0 0 366.417 2.765 20 10 FFCDRN COc1ccsc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000177515353 510109852 /nfs/dbraw/zinc/10/98/52/510109852.db2.gz FLTQCOMSGSXFTB-UHFFFAOYSA-N 0 0 352.481 2.835 20 10 FFCDRN Cc1nc(N2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)sc1C ZINC000180877273 510159983 /nfs/dbraw/zinc/15/99/83/510159983.db2.gz RLJGZPKPWYYPIE-GQCTYLIASA-N 0 0 359.451 2.533 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)cc1 ZINC000177674869 510195058 /nfs/dbraw/zinc/19/50/58/510195058.db2.gz JIKZBCYQUWLLMM-UHFFFAOYSA-N 0 0 356.422 2.767 20 10 FFCDRN COc1ccc(N2CCN(Cc3nccc(OC)c3OC)CC2)cc1F ZINC000190672065 510274963 /nfs/dbraw/zinc/27/49/63/510274963.db2.gz NJOPTYRJLWBYND-UHFFFAOYSA-N 0 0 361.417 2.569 20 10 FFCDRN Cn1ncc2c1CCC[C@H]2NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265879485 510278866 /nfs/dbraw/zinc/27/88/66/510278866.db2.gz BQWRRCMESDEYID-GOSISDBHSA-N 0 0 351.454 2.673 20 10 FFCDRN C[C@@H](NC(=O)Cc1ccc(N)cc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000269242668 510305060 /nfs/dbraw/zinc/30/50/60/510305060.db2.gz BXMDSMZDVIIAHL-OAHLLOKOSA-N 0 0 370.472 2.580 20 10 FFCDRN Cc1cccc(N2C[C@H](C(=O)NCCc3ccc(N)cc3)CC2=O)c1C ZINC000262584708 510325725 /nfs/dbraw/zinc/32/57/25/510325725.db2.gz UASFFVPSSQCWPT-QGZVFWFLSA-N 0 0 351.450 2.597 20 10 FFCDRN Nc1ccc(CC(=O)N2CCC(n3cc(Br)cn3)CC2)cc1 ZINC000262638149 510348079 /nfs/dbraw/zinc/34/80/79/510348079.db2.gz NPQNZKNIRKLZBL-UHFFFAOYSA-N 0 0 363.259 2.634 20 10 FFCDRN COc1cc(N(C)CC(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC ZINC000266001138 510350591 /nfs/dbraw/zinc/35/05/91/510350591.db2.gz NVAKLKRSSUPSLY-UHFFFAOYSA-N 0 0 365.817 2.836 20 10 FFCDRN COc1cc(N(C)CC(=O)Nc2ccccc2C(C)=O)cc(OC)c1OC ZINC000266017280 510360855 /nfs/dbraw/zinc/36/08/55/510360855.db2.gz VBXFJYXWTDSRAJ-UHFFFAOYSA-N 0 0 372.421 2.990 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187800870 510444500 /nfs/dbraw/zinc/44/45/00/510444500.db2.gz PJZUSPOQENYBDL-GZMMTYOYSA-N 0 0 352.303 2.874 20 10 FFCDRN Cc1cc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c(C)c(C)c1O ZINC000194663682 510469579 /nfs/dbraw/zinc/46/95/79/510469579.db2.gz JISZWEBPNJVTJY-UHFFFAOYSA-N 0 0 362.451 2.820 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(N2CCOC2=O)cc1 ZINC000266352552 510535273 /nfs/dbraw/zinc/53/52/73/510535273.db2.gz POAFKDYUCSCJKG-UHFFFAOYSA-N 0 0 367.405 2.748 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(N3CCO[C@@H](C)C3)cc2)c1O ZINC000266370507 510545403 /nfs/dbraw/zinc/54/54/03/510545403.db2.gz DSBUAUYOCACMJR-AWEZNQCLSA-N 0 0 371.437 2.948 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@H]3CCSC3)cc2F)C[C@@H](C)O1 ZINC000266488838 510618981 /nfs/dbraw/zinc/61/89/81/510618981.db2.gz FBCDNDDCBOXMBS-NFAWXSAZSA-N 0 0 367.490 2.744 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000175503222 510666223 /nfs/dbraw/zinc/66/62/23/510666223.db2.gz WEPLAPYSOACRQY-IBGZPJMESA-N 0 0 358.413 2.563 20 10 FFCDRN COC[C@@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccco1 ZINC000175708054 510747528 /nfs/dbraw/zinc/74/75/28/510747528.db2.gz BNYSAOBEPQDXNZ-GOSISDBHSA-N 0 0 373.453 2.898 20 10 FFCDRN C[C@H]1CN(Cc2cccc(CNC(=O)NCc3ccccc3O)c2)CCO1 ZINC000263691804 510793335 /nfs/dbraw/zinc/79/33/35/510793335.db2.gz GPYBOTFLKHNJLX-INIZCTEOSA-N 0 0 369.465 2.612 20 10 FFCDRN CC(C)Cn1nc(C(=O)NCc2ccc(N)cc2)c2ccccc2c1=O ZINC000297324008 510902660 /nfs/dbraw/zinc/90/26/60/510902660.db2.gz XCVKKQZQIKWMJT-UHFFFAOYSA-N 0 0 350.422 2.565 20 10 FFCDRN CCS(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000276361317 510935235 /nfs/dbraw/zinc/93/52/35/510935235.db2.gz VTWZIWXWKMCIDR-UHFFFAOYSA-N 0 0 360.479 2.929 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCc2c(O)cccc21 ZINC000276385693 510936267 /nfs/dbraw/zinc/93/62/67/510936267.db2.gz ALCHJXOUGPTTAH-FQEVSTJZSA-N 0 0 366.461 2.965 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnnc(C)c1 ZINC000276460281 510938516 /nfs/dbraw/zinc/93/85/16/510938516.db2.gz BYAJMQLYCKNRGR-UHFFFAOYSA-N 0 0 350.216 2.915 20 10 FFCDRN Cc1cc(C(=O)NCCc2nnc(C)n2C)c(C)n1-c1cccc(C)c1 ZINC000276511253 510939683 /nfs/dbraw/zinc/93/96/83/510939683.db2.gz JBYLXQVNYSVIAQ-UHFFFAOYSA-N 0 0 351.454 2.812 20 10 FFCDRN COc1ccc([C@@H]2NC(=O)N(Cc3ccc(N(C)C)cc3)C2=O)cc1F ZINC000277230002 510956850 /nfs/dbraw/zinc/95/68/50/510956850.db2.gz FXXAGTZDDRECEI-KRWDZBQOSA-N 0 0 357.385 2.693 20 10 FFCDRN CC1(C)C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000277256861 510958127 /nfs/dbraw/zinc/95/81/27/510958127.db2.gz IKPWHRWAKJLYOC-CYBMUJFWSA-N 0 0 352.818 2.767 20 10 FFCDRN CCOC(=O)CC[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277292789 510959023 /nfs/dbraw/zinc/95/90/23/510959023.db2.gz URUIRCIWCBLVLT-LLVKDONJSA-N 0 0 368.817 2.542 20 10 FFCDRN Cc1n[nH]c(C)c1CCC(=O)NCc1cccc(Br)c1O ZINC000277387673 510962389 /nfs/dbraw/zinc/96/23/89/510962389.db2.gz AHYGKSRLPWCLDD-UHFFFAOYSA-N 0 0 352.232 2.744 20 10 FFCDRN CCc1nn(C)c(NCc2cccc(Br)c2O)c1[N+](=O)[O-] ZINC000277509198 510964815 /nfs/dbraw/zinc/96/48/15/510964815.db2.gz UDQZGNQBSUMIJO-UHFFFAOYSA-N 0 0 355.192 2.971 20 10 FFCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)NCc1ccccc1O ZINC000277649876 510969203 /nfs/dbraw/zinc/96/92/03/510969203.db2.gz ZCNNSUPYXSXELL-HIFRSBDPSA-N 0 0 363.458 2.837 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](NC(N)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000270781764 510983227 /nfs/dbraw/zinc/98/32/27/510983227.db2.gz SQPNQZFFWJFFBN-AWEZNQCLSA-N 0 0 360.845 2.630 20 10 FFCDRN COC(=O)c1cc(CN(C)Cc2ccc([N+](=O)[O-])c(OC)c2O)oc1C ZINC000278159594 510983720 /nfs/dbraw/zinc/98/37/20/510983720.db2.gz DGNULKWPJUXIJA-UHFFFAOYSA-N 0 0 364.354 2.629 20 10 FFCDRN COCCn1cc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000282455237 510984773 /nfs/dbraw/zinc/98/47/73/510984773.db2.gz LBRSJEMXQLRYQE-UHFFFAOYSA-N 0 0 373.501 2.716 20 10 FFCDRN COc1c([O-])c(C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000278251230 510986841 /nfs/dbraw/zinc/98/68/41/510986841.db2.gz PDXYGGHOSXXJTL-LLVKDONJSA-N 0 0 369.418 2.654 20 10 FFCDRN CCOc1ccc(O)c(CNc2cnn(Cc3nnc4n3CCCC4)c2)c1 ZINC000278547099 510999118 /nfs/dbraw/zinc/99/91/18/510999118.db2.gz YMFWSJKSIATRDZ-UHFFFAOYSA-N 0 0 368.441 2.576 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H](C)c2ccc3c(c2)CC(=O)N3C)ccc1[N+](=O)[O-] ZINC000278878704 511012070 /nfs/dbraw/zinc/01/20/70/511012070.db2.gz NXXDRIJYPBLRKC-NSHDSACASA-N 0 0 371.393 2.679 20 10 FFCDRN C[C@H]([NH2+]CCn1cc(Br)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285705159 511014192 /nfs/dbraw/zinc/01/41/92/511014192.db2.gz PCLWYTCJOBTJEE-VIFPVBQESA-N 0 0 355.192 2.610 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nc(Cl)cs1 ZINC000278924157 511014199 /nfs/dbraw/zinc/01/41/99/511014199.db2.gz IGQNTBKGNRCOAD-UHFFFAOYSA-N 0 0 351.859 2.905 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ncnn2-c2ccccc2)cc1 ZINC000279023203 511017644 /nfs/dbraw/zinc/01/76/44/511017644.db2.gz MWZGTHUBFNYSAZ-UHFFFAOYSA-N 0 0 364.453 2.675 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)COCc2nnc(C)s2)cc1F ZINC000286287964 511022198 /nfs/dbraw/zinc/02/21/98/511022198.db2.gz BXWHCEVKYIHCPV-UHFFFAOYSA-N 0 0 366.462 2.665 20 10 FFCDRN CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000279258357 511023169 /nfs/dbraw/zinc/02/31/69/511023169.db2.gz IZDOTQZXRNVGSD-NSHDSACASA-N 0 0 362.455 2.579 20 10 FFCDRN CC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@@H](C)[S@]1=O ZINC000286457462 511026314 /nfs/dbraw/zinc/02/63/14/511026314.db2.gz UQSIVOBWYAIDIH-ALAGMEEOSA-N 0 0 366.439 2.517 20 10 FFCDRN Cn1nccc1C1=CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000287440533 511049568 /nfs/dbraw/zinc/04/95/68/511049568.db2.gz HKYMUGDDSDFSEH-UHFFFAOYSA-N 0 0 365.481 2.801 20 10 FFCDRN CNC(=O)OC[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287450865 511049688 /nfs/dbraw/zinc/04/96/88/511049688.db2.gz GLSJCZJTOJKSRL-GOSISDBHSA-N 0 0 374.485 2.707 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@]1(C)CCCS1 ZINC000288242700 511069014 /nfs/dbraw/zinc/06/90/14/511069014.db2.gz QISDVWKBDIRCNW-GOSISDBHSA-N 0 0 350.484 2.533 20 10 FFCDRN COCC[C@H]1NC(=O)N(Cc2ccc(N(C)C3CCCCC3)cc2)C1=O ZINC000288314031 511070991 /nfs/dbraw/zinc/07/09/91/511070991.db2.gz MDVVBMXZDHZTQV-GOSISDBHSA-N 0 0 359.470 2.912 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)c(C)n1-c1ccccn1 ZINC000288383677 511072850 /nfs/dbraw/zinc/07/28/50/511072850.db2.gz ROOIGZLECGKUGW-QGZVFWFLSA-N 0 0 366.465 2.574 20 10 FFCDRN CCOCC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000288757502 511084303 /nfs/dbraw/zinc/08/43/03/511084303.db2.gz RUWMHKKVQNZKPU-UHFFFAOYSA-N 0 0 354.834 2.873 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000289083476 511093578 /nfs/dbraw/zinc/09/35/78/511093578.db2.gz IZFRADIESPIPIG-YQVWRLOYSA-N 0 0 374.481 2.595 20 10 FFCDRN COC[C@H]1CCN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC000297934290 511114798 /nfs/dbraw/zinc/11/47/98/511114798.db2.gz SNQHXHNZZAGNLH-INIZCTEOSA-N 0 0 374.481 2.548 20 10 FFCDRN CC[C@H]1CN(Cc2cc(Br)ccc2O)C[C@@H](C)S1(=O)=O ZINC000289875081 511118594 /nfs/dbraw/zinc/11/85/94/511118594.db2.gz ROUZNPSUCMEFNK-MFKMUULPSA-N 0 0 362.289 2.552 20 10 FFCDRN COc1cc(N(C)Cc2ncc(C3OCCO3)s2)cc(OC)c1OC ZINC000290327705 511133928 /nfs/dbraw/zinc/13/39/28/511133928.db2.gz JYEBQOMQUQLLBI-UHFFFAOYSA-N 0 0 366.439 2.851 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cccc4c3OCO4)CC2)cc1 ZINC000362134800 511137100 /nfs/dbraw/zinc/13/71/00/511137100.db2.gz GNFNTBYUFLJLTO-UHFFFAOYSA-N 0 0 354.406 2.776 20 10 FFCDRN O=S(=O)(CCC1CCC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000290657018 511147814 /nfs/dbraw/zinc/14/78/14/511147814.db2.gz FKSXTQQXIBXMAY-UHFFFAOYSA-N 0 0 366.527 2.505 20 10 FFCDRN CC(C)OCc1nc([C@H](C)NC(=O)NCc2ccc(N(C)C)cc2)no1 ZINC000290845810 511152170 /nfs/dbraw/zinc/15/21/70/511152170.db2.gz WTTAZMICDXBBHJ-ZDUSSCGKSA-N 0 0 361.446 2.621 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c(O)c1O ZINC000271331182 511167084 /nfs/dbraw/zinc/16/70/84/511167084.db2.gz YXSHPJHLJACMRA-AWEZNQCLSA-N 0 0 373.384 2.582 20 10 FFCDRN Cc1cc(CO)oc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000282994282 511191880 /nfs/dbraw/zinc/19/18/80/511191880.db2.gz KDLRZELYDYSSHC-SFHVURJKSA-N 0 0 372.465 2.968 20 10 FFCDRN O=C(COc1ccccc1)N1CC[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000283001586 511195120 /nfs/dbraw/zinc/19/51/20/511195120.db2.gz KURIBEOGXGJXEP-HNNXBMFYSA-N 0 0 360.841 2.815 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2COC3(CCCC3)O2)c(C)n1-c1ccccn1 ZINC000271516077 511230731 /nfs/dbraw/zinc/23/07/31/511230731.db2.gz GFQWPNOGOGFXBK-MRXNPFEDSA-N 0 0 355.438 2.905 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccccc2S(C)(=O)=O)C2CC2)cc1 ZINC000298371457 511261148 /nfs/dbraw/zinc/26/11/48/511261148.db2.gz NWTIUGYIEPJOBM-UHFFFAOYSA-N 0 0 372.490 2.961 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)Cc1nccs1 ZINC000298382604 511266253 /nfs/dbraw/zinc/26/62/53/511266253.db2.gz SINZBHHXJOYCMJ-UHFFFAOYSA-N 0 0 374.510 2.605 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000291645903 511280889 /nfs/dbraw/zinc/28/08/89/511280889.db2.gz UETSBYGAOBJMBN-KXBFYZLASA-N 0 0 358.394 2.565 20 10 FFCDRN O=C(C[C@H](O)c1ccc(Cl)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000271797948 511329019 /nfs/dbraw/zinc/32/90/19/511329019.db2.gz MRGNXAXCNNUMJZ-IBGZPJMESA-N 0 0 374.868 2.917 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CC[C@@](CO)(c3ccccc3)C2)cc1 ZINC000291772251 511332215 /nfs/dbraw/zinc/33/22/15/511332215.db2.gz DUYVDPHCRPKKFD-OAQYLSRUSA-N 0 0 353.466 2.598 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC2(CCOCC2)CC1 ZINC000298617539 511351025 /nfs/dbraw/zinc/35/10/25/511351025.db2.gz IOGJFCSMCMHLHN-UHFFFAOYSA-N 0 0 374.481 2.550 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2cccn2C)n1C[C@H]1CCOC1 ZINC000291877292 511374825 /nfs/dbraw/zinc/37/48/25/511374825.db2.gz PZFUNEZXGKGUHX-OAHLLOKOSA-N 0 0 367.453 2.662 20 10 FFCDRN C[C@H](NC(=O)c1ccoc1)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298703564 511381178 /nfs/dbraw/zinc/38/11/78/511381178.db2.gz FSOSCLHPWIHPGH-AWEZNQCLSA-N 0 0 355.438 2.655 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@@H]2CCO[C@H]2c2ccc(=O)[nH]c2)cc1 ZINC000280239840 511388299 /nfs/dbraw/zinc/38/82/99/511388299.db2.gz KLYNIQCNBSTUAP-MJGOQNOKSA-N 0 0 370.453 2.525 20 10 FFCDRN COC(=O)c1ccc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)nn1 ZINC000298731484 511391008 /nfs/dbraw/zinc/39/10/08/511391008.db2.gz NHTYLPFQORWDHL-STQMWFEESA-N 0 0 374.416 2.628 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(C3CCC3)cc2)c1O ZINC000280267152 511399502 /nfs/dbraw/zinc/39/95/02/511399502.db2.gz OHCFMWQSXVZUCC-UHFFFAOYSA-N 0 0 354.406 2.923 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N(CCCO)Cc1ccccn1 ZINC000280377517 511443081 /nfs/dbraw/zinc/44/30/81/511443081.db2.gz TXMYVCPWULULDT-UHFFFAOYSA-N 0 0 366.465 2.552 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CCSCC3)cc2F)C[C@H](C)O1 ZINC000298913331 511450659 /nfs/dbraw/zinc/45/06/59/511450659.db2.gz DURLMFXWFVTSLC-OKILXGFUSA-N 0 0 367.490 2.698 20 10 FFCDRN O=C(C[C@@H]1CCOC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000363272019 511454980 /nfs/dbraw/zinc/45/49/80/511454980.db2.gz XOTJBSPATSZVLO-UONOGXRCSA-N 0 0 354.397 2.800 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1c(F)cccc1F ZINC000283681634 511459599 /nfs/dbraw/zinc/45/95/99/511459599.db2.gz ZVTBDPFUQLFPMY-LBPRGKRZSA-N 0 0 361.392 2.524 20 10 FFCDRN Cc1nn(C)c(C)c1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000298959512 511465880 /nfs/dbraw/zinc/46/58/80/511465880.db2.gz MSADGKXVSOMIIN-UHFFFAOYSA-N 0 0 371.485 2.567 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)C[C@H]2CCCC2(F)F)cc1F ZINC000295668934 511477728 /nfs/dbraw/zinc/47/77/28/511477728.db2.gz JCRGMIOWYNFFMT-GFCCVEGCSA-N 0 0 350.406 2.747 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]c(C(F)(F)F)c1 ZINC000292164912 511490785 /nfs/dbraw/zinc/49/07/85/511490785.db2.gz FWSVYMLJAWDAAC-UHFFFAOYSA-N 0 0 371.334 2.939 20 10 FFCDRN CSCCCNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000283764524 511492291 /nfs/dbraw/zinc/49/22/91/511492291.db2.gz NPCNIMMDNSZOAI-UHFFFAOYSA-N 0 0 363.527 2.505 20 10 FFCDRN CN(C(=O)OC(C)(C)C)[C@H]1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000272391735 511493240 /nfs/dbraw/zinc/49/32/40/511493240.db2.gz GXYGEEFLVCOIGI-OWNNVSBGSA-N 0 0 362.426 2.579 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000272527501 511497559 /nfs/dbraw/zinc/49/75/59/511497559.db2.gz ABZNXZATXNLPOL-GFCCVEGCSA-N 0 0 350.415 2.536 20 10 FFCDRN CC[C@@H]1C[C@@H](CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC000272692264 511503963 /nfs/dbraw/zinc/50/39/63/511503963.db2.gz DPZSXVVRJIPDFK-DOTOQJQBSA-N 0 0 364.461 2.874 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000273002655 511514779 /nfs/dbraw/zinc/51/47/79/511514779.db2.gz OTJZTBWCKDLJGF-QWHCGFSZSA-N 0 0 364.442 2.782 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1O ZINC000273002660 511515160 /nfs/dbraw/zinc/51/51/60/511515160.db2.gz OTJZTBWCKDLJGF-STQMWFEESA-N 0 0 364.442 2.782 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](C3(C)OCCO3)C2)cc1OC ZINC000273115440 511517802 /nfs/dbraw/zinc/51/78/02/511517802.db2.gz GWDBFDGFELYXDG-GFCCVEGCSA-N 0 0 352.387 2.591 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCCS1(=O)=O ZINC000273260586 511520401 /nfs/dbraw/zinc/52/04/01/511520401.db2.gz MUZZHXHYNNEVOK-SFHVURJKSA-N 0 0 364.511 2.603 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(CS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273391079 511524865 /nfs/dbraw/zinc/52/48/65/511524865.db2.gz KREFCONVZLMBOB-LBPRGKRZSA-N 0 0 364.423 2.696 20 10 FFCDRN CCNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273394984 511525116 /nfs/dbraw/zinc/52/51/16/511525116.db2.gz LSGCOJJBQZABNZ-CYBMUJFWSA-N 0 0 373.409 2.666 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)c1 ZINC000273469170 511527742 /nfs/dbraw/zinc/52/77/42/511527742.db2.gz FHODAQLDTCGNTF-LLVKDONJSA-N 0 0 360.366 2.946 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000273478957 511528138 /nfs/dbraw/zinc/52/81/38/511528138.db2.gz LNEABFLYRLVZLH-KBXCAEBGSA-N 0 0 368.433 2.631 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1 ZINC000273488805 511528844 /nfs/dbraw/zinc/52/88/44/511528844.db2.gz WGUWVTPIQAIEMB-CYBMUJFWSA-N 0 0 370.405 2.986 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 ZINC000363412018 511533770 /nfs/dbraw/zinc/53/37/70/511533770.db2.gz UVYBCPSJWIJRDE-UHFFFAOYSA-N 0 0 355.394 2.997 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(Br)cnn1C ZINC000295903507 511551161 /nfs/dbraw/zinc/55/11/61/511551161.db2.gz ZCWPTCKJLQXDDY-UHFFFAOYSA-N 0 0 365.275 2.911 20 10 FFCDRN CN(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000299321548 511591437 /nfs/dbraw/zinc/59/14/37/511591437.db2.gz NFIWLXDCPJAXGG-OAQYLSRUSA-N 0 0 367.493 2.785 20 10 FFCDRN CN(C(=O)C(=O)NCc1ccc(N2CCCC2)cc1)C(C1CC1)C1CC1 ZINC000284099926 511605022 /nfs/dbraw/zinc/60/50/22/511605022.db2.gz OKCSIHCIKYFQIG-UHFFFAOYSA-N 0 0 355.482 2.550 20 10 FFCDRN COCCOCc1ccc(CNC(=O)NCc2cccc(OC)c2O)cc1 ZINC000292504085 511622113 /nfs/dbraw/zinc/62/21/13/511622113.db2.gz ZPBMKQHSNKBIFX-UHFFFAOYSA-N 0 0 374.437 2.563 20 10 FFCDRN COc1ccccc1C1(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000299512505 511661088 /nfs/dbraw/zinc/66/10/88/511661088.db2.gz NIZFFRBOVPVLEP-UHFFFAOYSA-N 0 0 366.461 2.880 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(Cl)cn2)cc1 ZINC000284273342 511664343 /nfs/dbraw/zinc/66/43/43/511664343.db2.gz SMDQJBZNZULDNT-UHFFFAOYSA-N 0 0 374.872 2.514 20 10 FFCDRN CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000299688249 511667433 /nfs/dbraw/zinc/66/74/33/511667433.db2.gz LHLSRBDCLLJHCP-GOEBONIOSA-N 0 0 363.477 2.793 20 10 FFCDRN Oc1cccc2c1[C@H](Nc1cnn(Cc3nnc4n3CCCC4)c1)CC2 ZINC000296253001 511671743 /nfs/dbraw/zinc/67/17/43/511671743.db2.gz BIHSFJGLERIJMN-OAHLLOKOSA-N 0 0 350.426 2.664 20 10 FFCDRN CSCCCN(C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000281006240 511685652 /nfs/dbraw/zinc/68/56/52/511685652.db2.gz OBRCAVGFLLHGHZ-UHFFFAOYSA-N 0 0 369.506 2.681 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@@H](c4cccs4)C3)cc2N1 ZINC000301693046 511699725 /nfs/dbraw/zinc/69/97/25/511699725.db2.gz YPSFIJBJFFNVSG-CQSZACIVSA-N 0 0 361.379 2.565 20 10 FFCDRN COc1ccc(N2CCCN(c3nc(C(C)C)nc(N(C)C)n3)CC2)cc1 ZINC000302017454 511704889 /nfs/dbraw/zinc/70/48/89/511704889.db2.gz ZBZYIWWSCXENEY-UHFFFAOYSA-N 0 0 370.501 2.786 20 10 FFCDRN CCOC(=O)c1csc(CN(C)c2ccc(OCC(=O)OC)cc2)n1 ZINC000292844377 511740929 /nfs/dbraw/zinc/74/09/29/511740929.db2.gz FKRLVQVZRUJJRG-UHFFFAOYSA-N 0 0 364.423 2.508 20 10 FFCDRN CC(=O)CCc1ccc(OCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000274187995 511747987 /nfs/dbraw/zinc/74/79/87/511747987.db2.gz LHZOGGLFACEEIL-AWEZNQCLSA-N 0 0 371.433 2.746 20 10 FFCDRN CNC(=O)COc1ccc(N[C@H](C)c2cc(C(=O)OC)ccc2O)c(C)c1 ZINC000281207924 511759653 /nfs/dbraw/zinc/75/96/53/511759653.db2.gz SLIWRGBRMNNJOY-CYBMUJFWSA-N 0 0 372.421 2.785 20 10 FFCDRN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NCc1ccccc1O ZINC000274432641 511832246 /nfs/dbraw/zinc/83/22/46/511832246.db2.gz VWZLRTZQJWOFDH-UHFFFAOYSA-N 0 0 355.390 2.833 20 10 FFCDRN CCCCn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(C)n1 ZINC000274436764 511833908 /nfs/dbraw/zinc/83/39/08/511833908.db2.gz GAUOZCMIUFFHAJ-UHFFFAOYSA-N 0 0 356.470 2.758 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2ccc(N3CCC3=O)cc2)cc1F ZINC000281403587 511835168 /nfs/dbraw/zinc/83/51/68/511835168.db2.gz WXFITWXJFGDJEZ-UHFFFAOYSA-N 0 0 356.401 2.950 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3c(c2F)CCNC3=O)cc1F ZINC000284749713 511852171 /nfs/dbraw/zinc/85/21/71/511852171.db2.gz CZRYUDJVMGOXBI-UHFFFAOYSA-N 0 0 374.391 2.638 20 10 FFCDRN COc1ccc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1OCCO ZINC000281610051 511907700 /nfs/dbraw/zinc/90/77/00/511907700.db2.gz PBAIQJLLJQEAJO-UHFFFAOYSA-N 0 0 371.433 2.581 20 10 FFCDRN Cc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cn2ccnc12 ZINC000296849324 511922341 /nfs/dbraw/zinc/92/23/41/511922341.db2.gz KJRHNQSBQMCCLL-UHFFFAOYSA-N 0 0 365.437 2.801 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc2c(c1)CCCC2 ZINC000296871930 511931935 /nfs/dbraw/zinc/93/19/35/511931935.db2.gz KAXUCOQWGREUER-CYBMUJFWSA-N 0 0 368.433 2.663 20 10 FFCDRN CCOCCCNC(=O)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC000275023557 512019298 /nfs/dbraw/zinc/01/92/98/512019298.db2.gz SGAYURCMDBCXSV-UHFFFAOYSA-N 0 0 358.394 2.507 20 10 FFCDRN CC(C)OC[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000364215775 512025201 /nfs/dbraw/zinc/02/52/01/512025201.db2.gz LGAIJJNCASOJET-IBGZPJMESA-N 0 0 361.486 2.622 20 10 FFCDRN Nc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 ZINC000297145449 512036710 /nfs/dbraw/zinc/03/67/10/512036710.db2.gz IKABJCOBMBUMHT-MRXNPFEDSA-N 0 0 355.413 2.577 20 10 FFCDRN COc1cc(N2CCN(Cc3cncc(F)c3)CC2)cc(OC)c1OC ZINC000275111214 512044448 /nfs/dbraw/zinc/04/44/48/512044448.db2.gz GMDSNRMNCYMFAW-UHFFFAOYSA-N 0 0 361.417 2.569 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)c3cccc(O)c3O)CC[C@H]21 ZINC000293680602 512049066 /nfs/dbraw/zinc/04/90/66/512049066.db2.gz LJJAVFRCYUYNOV-TZMCWYRMSA-N 0 0 362.426 2.569 20 10 FFCDRN COc1cccc(CNC(=O)NCCc2cc(C(F)(F)F)ccn2)c1O ZINC000297189898 512055676 /nfs/dbraw/zinc/05/56/76/512055676.db2.gz CAMWNWXYDARSDQ-UHFFFAOYSA-N 0 0 369.343 2.857 20 10 FFCDRN COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(Br)cc(C)c1O ZINC000359995312 512060730 /nfs/dbraw/zinc/06/07/30/512060730.db2.gz CVVZSURYGSISHW-KBPBESRZSA-N 0 0 372.259 2.616 20 10 FFCDRN Nc1ccc(CNC(=O)C2(NC(=O)NCc3ccccc3)CCCC2)cc1 ZINC000297239926 512073197 /nfs/dbraw/zinc/07/31/97/512073197.db2.gz PTFCXIKENABQHN-UHFFFAOYSA-N 0 0 366.465 2.697 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000366559557 512085791 /nfs/dbraw/zinc/08/57/91/512085791.db2.gz UIWVCSNBNSVTKO-MRXNPFEDSA-N 0 0 359.495 2.702 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCOC[C@@H]2c2ccco2)c([N+](=O)[O-])c1 ZINC000364332875 512089749 /nfs/dbraw/zinc/08/97/49/512089749.db2.gz ZBTQLRWNHYYUNS-BIENSFFJSA-N 0 0 358.350 2.952 20 10 FFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]Cc1cccnc1N1CCOCC1 ZINC000293821090 512091898 /nfs/dbraw/zinc/09/18/98/512091898.db2.gz DGWVCPLVSJHRQX-UHFFFAOYSA-N 0 0 351.809 2.706 20 10 FFCDRN Oc1cc(OCc2ccccc2)ccc1CN1CCOC[C@@H]1c1ncon1 ZINC000371804763 512581025 /nfs/dbraw/zinc/58/10/25/512581025.db2.gz ZSMIHOSAMKEZFV-GOSISDBHSA-N 0 0 367.405 2.928 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@@]2(CCCOC2)O1 ZINC000369798995 512618110 /nfs/dbraw/zinc/61/81/10/512618110.db2.gz JEJNIBPWUXLIHG-LAUBAEHRSA-N 0 0 371.481 2.542 20 10 FFCDRN Cc1cc(C(=O)N2CCCS(=O)(=O)CC2)c(C)n1-c1ccccc1C ZINC000374009796 512619039 /nfs/dbraw/zinc/61/90/39/512619039.db2.gz GSRQFAJSSJAUAP-UHFFFAOYSA-N 0 0 360.479 2.663 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccccc2-c2cnn(C)c2)c1O ZINC000378288848 512678726 /nfs/dbraw/zinc/67/87/26/512678726.db2.gz KOXNKAZYFFEYDE-UHFFFAOYSA-N 0 0 366.421 2.801 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@@H]2c2ncon2)c(C)n1-c1cccc(C)c1 ZINC000378363683 512717864 /nfs/dbraw/zinc/71/78/64/512717864.db2.gz MNPIATWONDVUIW-GOSISDBHSA-N 0 0 366.421 2.999 20 10 FFCDRN COc1ccc(-c2nc(CCNC(=O)c3cccc(O)c3O)co2)cc1 ZINC000370040118 512738248 /nfs/dbraw/zinc/73/82/48/512738248.db2.gz HVRYYPKHWAAOOD-UHFFFAOYSA-N 0 0 354.362 2.734 20 10 FFCDRN O=C(/C=C/c1ccncn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000374961291 513090219 /nfs/dbraw/zinc/09/02/19/513090219.db2.gz IBMMHANDMSSPBG-LZCJLJQNSA-N 0 0 374.391 2.876 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000414373102 514072769 /nfs/dbraw/zinc/07/27/69/514072769.db2.gz LGYNPUIJKBDVJH-QFBILLFUSA-N 0 0 358.463 2.837 20 10 FFCDRN COc1ccc(O[C@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437014192 514074654 /nfs/dbraw/zinc/07/46/54/514074654.db2.gz DGMFRCIIGOSIEX-CQSZACIVSA-N 0 0 356.422 2.954 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CSCC(=O)OC(C)(C)C ZINC000437013275 514075272 /nfs/dbraw/zinc/07/52/72/514075272.db2.gz ACBKTSYCQFSKDZ-UHFFFAOYSA-N 0 0 366.483 2.553 20 10 FFCDRN O=[N+]([O-])c1cnc2ccc(N3CC=C(c4c[nH]c5ncccc45)CC3)nn21 ZINC000502401764 514637425 /nfs/dbraw/zinc/63/74/25/514637425.db2.gz LAKLEKKJJVRSCF-UHFFFAOYSA-N 0 0 361.365 2.808 20 10 FFCDRN CC(C)n1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000498065538 514744962 /nfs/dbraw/zinc/74/49/62/514744962.db2.gz XCZADHOPDNEOEZ-UHFFFAOYSA-N 0 0 354.435 2.932 20 10 FFCDRN CNC(=O)[C@H]1CCC[C@@H]1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000498215774 514808826 /nfs/dbraw/zinc/80/88/26/514808826.db2.gz IBDONXHHNCEYAY-WMZOPIPTSA-N 0 0 371.481 2.549 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C(C)(C)NC(=O)c1ccccc1 ZINC000475951286 514866059 /nfs/dbraw/zinc/86/60/59/514866059.db2.gz DXKHJFIBOSVLSS-UHFFFAOYSA-N 0 0 367.449 2.687 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccnn1CC(C)C ZINC000472787268 515396754 /nfs/dbraw/zinc/39/67/54/515396754.db2.gz ITUHPEKNPLVUQW-UHFFFAOYSA-N 0 0 367.453 2.594 20 10 FFCDRN COCc1ccccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472790893 515398661 /nfs/dbraw/zinc/39/86/61/515398661.db2.gz PGHCNBKINMLJHI-UHFFFAOYSA-N 0 0 365.433 2.888 20 10 FFCDRN COc1c(NC(=O)NCc2c(C)c3ccccc3n2C)cccc1C(N)=O ZINC000469936812 516038331 /nfs/dbraw/zinc/03/83/31/516038331.db2.gz VTSYWKQVPHBJRC-UHFFFAOYSA-N 0 0 366.421 2.916 20 10 FFCDRN CC(=O)N1CCC[C@H](CNC(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000474754523 516182697 /nfs/dbraw/zinc/18/26/97/516182697.db2.gz RYYFBBAJCXMRMJ-MRXNPFEDSA-N 0 0 356.470 2.544 20 10 FFCDRN Cc1cc(NC(=O)c2ccc(C3=S=CC=C3)o2)n(-c2ccc(C)nn2)n1 ZINC000544023761 516547142 /nfs/dbraw/zinc/54/71/42/516547142.db2.gz LXBYBRWWJRJHSA-UHFFFAOYSA-N 0 0 365.418 2.750 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)nn2C2CCOCC2)c1 ZINC000528859039 516755218 /nfs/dbraw/zinc/75/52/18/516755218.db2.gz FXLKGNTZIIEYHR-CYBMUJFWSA-N 0 0 359.426 2.748 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O ZINC000551895973 516937638 /nfs/dbraw/zinc/93/76/38/516937638.db2.gz SUQVEXOBUJOSRP-NSISKUIASA-N 0 0 371.481 2.558 20 10 FFCDRN COc1ccc(CNC(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)c(O)c1 ZINC000529228406 517017814 /nfs/dbraw/zinc/01/78/14/517017814.db2.gz OJLAVGIUQZEGDG-LBPRGKRZSA-N 0 0 369.343 2.810 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)Cc1cnc(N(C)C)nc1 ZINC000525934795 517244029 /nfs/dbraw/zinc/24/40/29/517244029.db2.gz BYCFDESQMMPYKA-UHFFFAOYSA-N 0 0 366.469 2.684 20 10 FFCDRN COC[C@]1([NH2+]Cc2cc(OC)c(OC)cc2O)COc2ccccc2C1 ZINC000529669172 517273072 /nfs/dbraw/zinc/27/30/72/517273072.db2.gz QALMOTJXZLIUPS-FQEVSTJZSA-N 0 0 359.422 2.519 20 10 FFCDRN CSc1nc(=O)[nH]c(C)c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000527474800 517696342 /nfs/dbraw/zinc/69/63/42/517696342.db2.gz HTYHRBBPAOPPOW-UHFFFAOYSA-N 0 0 356.451 2.943 20 10 FFCDRN O=C(c1noc2c1COCC2)N(Cc1ccco1)Cc1ccccc1O ZINC000527603235 517787806 /nfs/dbraw/zinc/78/78/06/517787806.db2.gz WSFAMZGADPCBFM-UHFFFAOYSA-N 0 0 354.362 2.889 20 10 FFCDRN C[C@H]([NH2+]C[C@@H](O)[C@H]1CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000527958389 518012333 /nfs/dbraw/zinc/01/23/33/518012333.db2.gz VPUJVFOIYLXJTQ-ZEGGKSINSA-N 0 0 364.667 2.999 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000528282733 518163519 /nfs/dbraw/zinc/16/35/19/518163519.db2.gz RONKZWBGGAMDFM-PUXPGTEJSA-N 0 0 357.248 2.766 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@H](C(C)C)C1 ZINC000584489567 518364924 /nfs/dbraw/zinc/36/49/24/518364924.db2.gz KYNQHUKYXOPRSL-INIZCTEOSA-N 0 0 355.482 2.998 20 10 FFCDRN O=S(=O)(c1cccc2nsnc21)N1C[C@@H]2CCCN2c2ccccc21 ZINC000600748817 520445992 /nfs/dbraw/zinc/44/59/92/520445992.db2.gz KGAUXCPRTCHTER-LBPRGKRZSA-N 0 0 372.475 2.869 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3C[C@@H](O)C34CCC4)ccc21 ZINC000619086499 521390694 /nfs/dbraw/zinc/39/06/94/521390694.db2.gz ZEBNBQAIVNHCTR-RBUKOAKNSA-N 0 0 356.466 2.938 20 10 FFCDRN COc1ccc(N2CCC([NH2+][C@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC000820841525 598197233 /nfs/dbraw/zinc/19/72/33/598197233.db2.gz VONFMUYCXRQGRD-HXUWFJFHSA-N 0 0 354.450 2.950 20 10 FFCDRN CC(C)Oc1ccc(NC(=S)NNc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000735912435 598319878 /nfs/dbraw/zinc/31/98/78/598319878.db2.gz CONRRSSEPKBKOD-UHFFFAOYSA-N 0 0 369.454 2.967 20 10 FFCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(-c3nn[nH]n3)cc2[N+](=O)[O-])c1 ZINC000737105892 598756327 /nfs/dbraw/zinc/75/63/27/598756327.db2.gz LVMANHLBKZBKNI-SECBINFHSA-N 0 0 356.342 2.662 20 10 FFCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)o2)SC(=S)N1C1CCCCC1 ZINC000823504481 599310097 /nfs/dbraw/zinc/31/00/97/599310097.db2.gz QQOKHQHNCJRRBU-XYOKQWHBSA-N 0 0 361.452 2.994 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCCC[C@H]2C2OCCO2)c1O ZINC000740097684 600686461 /nfs/dbraw/zinc/68/64/61/600686461.db2.gz PXKWSTVPCLEJLF-KRWDZBQOSA-N 0 0 357.406 2.971 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000833306823 601632297 /nfs/dbraw/zinc/63/22/97/601632297.db2.gz AEKWBLSGYXDSQK-ROUUACIJSA-N 0 0 357.406 2.623 20 10 FFCDRN O=C([O-])NC1(C[NH2+]Cc2ccc(N3CCOCC3)c(F)c2)CCCCC1 ZINC000740548468 602054951 /nfs/dbraw/zinc/05/49/51/602054951.db2.gz UVVSJXZZEGSAJC-UHFFFAOYSA-N 0 0 365.449 2.722 20 10 FFCDRN CCN(Cc1cc(-c2nn[nH]n2)ccc1OC)c1ccc(OC)c(OC)c1 ZINC000825428452 607642362 /nfs/dbraw/zinc/64/23/62/607642362.db2.gz NJHMFVGPJVUHAA-UHFFFAOYSA-N 0 0 369.425 2.919 20 10 FFCDRN C[C@H]([NH2+]CCCN(C(=O)[O-])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825491078 604266887 /nfs/dbraw/zinc/26/68/87/604266887.db2.gz VZUUZMSQRNYXON-AWEZNQCLSA-N 0 0 365.449 2.845 20 10 FFCDRN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000833193968 604467556 /nfs/dbraw/zinc/46/75/56/604467556.db2.gz UIMDLXRMNWLINU-FQEVSTJZSA-N 0 0 352.434 2.535 20 10 FFCDRN COC(=O)c1ccccc1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1O ZINC000833717724 604636837 /nfs/dbraw/zinc/63/68/37/604636837.db2.gz URHACJBYKVAVGP-UHFFFAOYSA-N 0 0 363.797 2.919 20 10 FFCDRN C[C@H](NC(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000833812368 605600315 /nfs/dbraw/zinc/60/03/15/605600315.db2.gz IYOGZRQXOBKFFP-GOEBONIOSA-N 0 0 365.449 2.530 20 10 FFCDRN Cc1nc(-c2cccnc2)cc(N2CCc3ccc(-c4nn[nH]n4)cc32)n1 ZINC000826323128 607935541 /nfs/dbraw/zinc/93/55/41/607935541.db2.gz RFDJLTMHJJBGJE-UHFFFAOYSA-N 0 0 356.393 2.721 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@@]3(C)CCCS3)CC2)cc1F ZINC000153414847 728779213 /nfs/dbraw/zinc/77/92/13/728779213.db2.gz SPQPCWGMDVZIHY-GOSISDBHSA-N 0 0 367.490 2.952 20 10 FFCDRN O=C(CCNC(=O)NCCCSc1nccs1)Nc1ccccc1 ZINC000153552494 728782605 /nfs/dbraw/zinc/78/26/05/728782605.db2.gz NNKCMCUCLYGEIE-UHFFFAOYSA-N 0 0 364.496 2.953 20 10 FFCDRN CC[C@@](C)(CCO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000153708225 728786305 /nfs/dbraw/zinc/78/63/05/728786305.db2.gz DUHUWBWFGVBTLY-SFHVURJKSA-N 0 0 351.516 2.590 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(OCC(F)F)nc2)c1 ZINC000153863784 728790144 /nfs/dbraw/zinc/79/01/44/728790144.db2.gz MFCACXJZRZMFKJ-SNVBAGLBSA-N 0 0 352.337 2.931 20 10 FFCDRN CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(Br)c2[O-])C1 ZINC000153994265 728793580 /nfs/dbraw/zinc/79/35/80/728793580.db2.gz LFDCZUAKZVRMJS-GFCCVEGCSA-N 0 0 357.248 2.865 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000154202544 728798435 /nfs/dbraw/zinc/79/84/35/728798435.db2.gz SWDRTTHMKYEBPZ-VQIMIIECSA-N 0 0 361.511 2.555 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(I)cc1 ZINC000158931845 728897170 /nfs/dbraw/zinc/89/71/70/728897170.db2.gz QCNAMVFTGDSYOS-UHFFFAOYSA-N 0 0 369.158 2.632 20 10 FFCDRN CN(C[C@@H]1CCC[C@H]1O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000159315630 728904620 /nfs/dbraw/zinc/90/46/20/728904620.db2.gz ICAAHLCTIBMPJK-FUHWJXTLSA-N 0 0 363.527 2.542 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccccc2C(F)(F)F)c1O ZINC000161096517 728928834 /nfs/dbraw/zinc/92/88/34/728928834.db2.gz NFVPBYSSRHYVKL-UHFFFAOYSA-N 0 0 361.341 2.898 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)Cc2c(F)cccc2F)cc1F ZINC000161714207 728935024 /nfs/dbraw/zinc/93/50/24/728935024.db2.gz ABIYTVGWQCZKBY-UHFFFAOYSA-N 0 0 358.385 2.790 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1cscc1Cl)c1ccc(N(C)C)cc1 ZINC000897865846 735286950 /nfs/dbraw/zinc/28/69/50/735286950.db2.gz NZFZWLYHPTUWCY-LLVKDONJSA-N 0 0 365.886 2.961 20 10 FFCDRN CN(C)[S@](C)(=O)=NCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000898400118 735356070 /nfs/dbraw/zinc/35/60/70/735356070.db2.gz WRXHVNQVUZZXPE-HSZRJFAPSA-N 0 0 359.923 2.832 20 10 FFCDRN NC(=O)[C@@H](OC(=O)C1=CC(=O)CS1)c1ccc(Br)cc1F ZINC000745002991 735390570 /nfs/dbraw/zinc/39/05/70/735390570.db2.gz UBHYIPNRJITISA-NSHDSACASA-N 0 0 374.187 2.739 20 10 FFCDRN [O-]c1c(F)c(F)ccc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898721458 735399383 /nfs/dbraw/zinc/39/93/83/735399383.db2.gz SGXYSGOXQWXAJR-SECBINFHSA-N 0 0 358.186 2.734 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(Br)c[nH]3)CC2)cc1 ZINC000012561515 727814494 /nfs/dbraw/zinc/81/44/94/727814494.db2.gz LUGDLZFNGOUHQK-UHFFFAOYSA-N 0 0 364.243 2.748 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000033335094 727928653 /nfs/dbraw/zinc/92/86/53/727928653.db2.gz SRDXGVNVXNBJCA-WQLSENKSSA-N 0 0 353.787 2.551 20 10 FFCDRN CCCCCS(=O)(=O)CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000076201522 728257106 /nfs/dbraw/zinc/25/71/06/728257106.db2.gz SNNPWYAEWWAEOZ-UHFFFAOYSA-N 0 0 352.500 2.508 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NC[C@@](C)(O)c3ccsc3)ccc21 ZINC000077800571 728285484 /nfs/dbraw/zinc/28/54/84/728285484.db2.gz CXCZLFOWPVTWMR-LJQANCHMSA-N 0 0 359.495 2.837 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccc([S@@](C)=O)cc2)cc1F ZINC000080104690 728322140 /nfs/dbraw/zinc/32/21/40/728322140.db2.gz BALFSTKLSFHFCT-VWLOTQADSA-N 0 0 363.458 2.629 20 10 FFCDRN COC(=O)C[C@H]1CSCCN1Cc1cc(Br)ccc1O ZINC000093610416 728476570 /nfs/dbraw/zinc/47/65/70/728476570.db2.gz KKBMMNDRMXUSEJ-LBPRGKRZSA-N 0 0 360.273 2.635 20 10 FFCDRN CCn1c(C)nn(CN2CCCN(c3ccc(OC)cc3)CC2)c1=S ZINC000102390886 728490386 /nfs/dbraw/zinc/49/03/86/728490386.db2.gz RMXFTVUDANJMMD-UHFFFAOYSA-N 0 0 361.515 2.921 20 10 FFCDRN Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(O)c1O ZINC000110526269 728532294 /nfs/dbraw/zinc/53/22/94/728532294.db2.gz FCMVLKMVRLCJOI-SECBINFHSA-N 0 0 350.758 2.639 20 10 FFCDRN C[C@H](NS(=O)(=O)CCC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000113283364 728553911 /nfs/dbraw/zinc/55/39/11/728553911.db2.gz WMCBVYYGPTYOPY-HNNXBMFYSA-N 0 0 354.516 2.940 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CN=C(N2CCOCC2)S1 ZINC000114097034 728558964 /nfs/dbraw/zinc/55/89/64/728558964.db2.gz LRYWATFHDYVPHG-OAHLLOKOSA-N 0 0 374.535 2.983 20 10 FFCDRN Cc1cc(C)cc(C(=O)NCC(=O)NCCCSc2nccs2)c1 ZINC000115159600 728564064 /nfs/dbraw/zinc/56/40/64/728564064.db2.gz JIYICLXYACXABH-UHFFFAOYSA-N 0 0 363.508 2.788 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CSCN1C(=O)C(C)(C)C ZINC000115279489 728564526 /nfs/dbraw/zinc/56/45/26/728564526.db2.gz FGBGPCGEUKOTJC-INIZCTEOSA-N 0 0 363.527 2.625 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(C(F)(F)F)[nH]c1=O ZINC000115489823 728565626 /nfs/dbraw/zinc/56/56/26/728565626.db2.gz WFBWDDCPRNZUNR-UHFFFAOYSA-N 0 0 353.344 2.698 20 10 FFCDRN O=C(C1CC1)N1CCC[N@@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000119056787 728587126 /nfs/dbraw/zinc/58/71/26/728587126.db2.gz RPHPJKHLDIIYET-UHFFFAOYSA-N 0 0 353.260 2.599 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](NC(C)=O)C(C)C ZINC000120993272 728618833 /nfs/dbraw/zinc/61/88/33/728618833.db2.gz RLOIRYCISYQCCK-OAHLLOKOSA-N 0 0 371.275 2.664 20 10 FFCDRN COc1ccc(N(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000121872192 728641021 /nfs/dbraw/zinc/64/10/21/728641021.db2.gz PKNFPYDKASWYNJ-UHFFFAOYSA-N 0 0 370.858 2.511 20 10 FFCDRN CN(CC1(O)CCCC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122416233 728647251 /nfs/dbraw/zinc/64/72/51/728647251.db2.gz PZQCBKSQFPWJJN-UHFFFAOYSA-N 0 0 363.527 2.686 20 10 FFCDRN CCN(CC)C(=O)CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122562039 728648898 /nfs/dbraw/zinc/64/88/98/728648898.db2.gz OGVXUQCTUDNYRA-UHFFFAOYSA-N 0 0 363.527 2.505 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(=O)Nc1ccsc1 ZINC000124920520 728676242 /nfs/dbraw/zinc/67/62/42/728676242.db2.gz VZJJMFAPXYFMJB-UHFFFAOYSA-N 0 0 361.492 2.556 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])cc1 ZINC000128562187 728709059 /nfs/dbraw/zinc/70/90/59/728709059.db2.gz LMXHVXHDCZEYLI-UHFFFAOYSA-N 0 0 367.402 2.621 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCCSC3)CC2)cc1F ZINC000129260902 728710876 /nfs/dbraw/zinc/71/08/76/728710876.db2.gz KHELUOGWOJAHRY-ZDUSSCGKSA-N 0 0 353.463 2.562 20 10 FFCDRN COc1cccc(S(=O)(=O)CCN(C)c2ccc(OC)c(F)c2)c1 ZINC000131429443 728722224 /nfs/dbraw/zinc/72/22/24/728722224.db2.gz LOYCDZBHPNIODM-UHFFFAOYSA-N 0 0 353.415 2.753 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2nnc(C(C)(C)C)s2)c(OC)c1 ZINC000131625604 728722638 /nfs/dbraw/zinc/72/26/38/728722638.db2.gz XODTZADICZWYPD-UHFFFAOYSA-N 0 0 364.471 2.928 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCC1(CCO)CCC1 ZINC000133346819 728726691 /nfs/dbraw/zinc/72/66/91/728726691.db2.gz GRWZBQJMYDTPSV-UHFFFAOYSA-N 0 0 363.527 2.592 20 10 FFCDRN O=C(NCCCSc1nccs1)NCCc1cn2ccccc2n1 ZINC000151931567 728747279 /nfs/dbraw/zinc/74/72/79/728747279.db2.gz APCOUDHRWYSRRF-UHFFFAOYSA-N 0 0 361.496 2.815 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2cn(C)nc2C(F)(F)F)cc1 ZINC000163596666 728959459 /nfs/dbraw/zinc/95/94/59/728959459.db2.gz AOEDCOQTODVKNC-UHFFFAOYSA-N 0 0 355.364 2.504 20 10 FFCDRN CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000170727509 728987440 /nfs/dbraw/zinc/98/74/40/728987440.db2.gz SMQMRTFVBJTACX-AWEZNQCLSA-N 0 0 353.438 2.811 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCCOc2ccc(F)cc2F)c1 ZINC000172075747 729018958 /nfs/dbraw/zinc/01/89/58/729018958.db2.gz AZSDXTTVCAJRPB-UHFFFAOYSA-N 0 0 352.337 2.557 20 10 FFCDRN CCC(CC)[C@@H](C(=O)NCCCSc1nccs1)N1CCOCC1 ZINC000173702040 729052676 /nfs/dbraw/zinc/05/26/76/729052676.db2.gz QTRUKYQJOLDRSM-HNNXBMFYSA-N 0 0 371.572 2.879 20 10 FFCDRN CCOC(=O)C1(C(=O)N(CC)Cc2cc(Br)ccc2O)CC1 ZINC000178720463 729168258 /nfs/dbraw/zinc/16/82/58/729168258.db2.gz ZIGGAWWCIFSELV-UHFFFAOYSA-N 0 0 370.243 2.847 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(CS(C)(=O)=O)o2)cc1 ZINC000195301208 729535334 /nfs/dbraw/zinc/53/53/34/729535334.db2.gz FFULQMNJKURRAS-UHFFFAOYSA-N 0 0 364.467 2.600 20 10 FFCDRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)C1 ZINC000246754358 729590046 /nfs/dbraw/zinc/59/00/46/729590046.db2.gz XPGWPARLBCMHIL-DRPFGQNVSA-N 0 0 368.499 2.841 20 10 FFCDRN C[C@H](NCc1cc(C(N)=O)co1)c1ccc(N2CCOCC2)cc1Cl ZINC000779068894 738433743 /nfs/dbraw/zinc/43/37/43/738433743.db2.gz FQCQFYSIEGCCFB-LBPRGKRZSA-N 0 0 363.845 2.719 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1nn(C)cc1Br ZINC000509750766 729928811 /nfs/dbraw/zinc/92/88/11/729928811.db2.gz NBOSCUGGUKMXKD-UHFFFAOYSA-N 0 0 361.243 2.913 20 10 FFCDRN CO[C@H]1CCC[C@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761207663 736707912 /nfs/dbraw/zinc/70/79/12/736707912.db2.gz HIXHMHOMHFUCNY-NHYWBVRUSA-N 0 0 352.818 2.625 20 10 FFCDRN Cc1ccc(/C=C/C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)cn1 ZINC000779472422 738466824 /nfs/dbraw/zinc/46/68/24/738466824.db2.gz YNSGCYOKPVWZGL-JXMROGBWSA-N 0 0 356.447 2.786 20 10 FFCDRN CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000856595181 730346552 /nfs/dbraw/zinc/34/65/52/730346552.db2.gz PSESZXAMRITKGS-KRWDZBQOSA-N 0 0 369.824 2.700 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccnc(F)c2F)cc1 ZINC000856903939 730365138 /nfs/dbraw/zinc/36/51/38/730365138.db2.gz FCUWPEJGMINQQI-UHFFFAOYSA-N 0 0 350.369 2.969 20 10 FFCDRN Oc1cccc(Br)c1C[NH2+][C@H]1CCN(CC(F)(F)F)C1 ZINC000858116545 730416997 /nfs/dbraw/zinc/41/69/97/730416997.db2.gz NZMZLNYLYREEDN-VIFPVBQESA-N 0 0 353.182 2.881 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H](n1cccn1)C(F)(F)F ZINC000858675079 730431291 /nfs/dbraw/zinc/43/12/91/730431291.db2.gz LAOKPNAUYRUAAF-LBPRGKRZSA-N 0 0 362.739 2.845 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)COCC(F)F)cc1 ZINC000858927335 730436899 /nfs/dbraw/zinc/43/68/99/730436899.db2.gz KUEWMRMPYOELHD-MRXNPFEDSA-N 0 0 356.413 2.542 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)n(C)n1)Cc1cc(Cl)ccc1O ZINC000859189927 730444709 /nfs/dbraw/zinc/44/47/09/730444709.db2.gz YLVLVARWBSBZSS-UHFFFAOYSA-N 0 0 358.225 2.608 20 10 FFCDRN Cc1cc(CNS(=O)(=O)CC[C@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000859363007 730452009 /nfs/dbraw/zinc/45/20/09/730452009.db2.gz PMLILAGPLZEWRF-QGZVFWFLSA-N 0 0 362.495 2.940 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H](F)C(=O)NCc2ccccc2O)C1 ZINC000860234310 730492138 /nfs/dbraw/zinc/49/21/38/730492138.db2.gz RUIPKMNFYKGBLS-UKRRQHHQSA-N 0 0 352.406 2.604 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C2CC(O)(c3cccc(Cl)c3)C2)c1 ZINC000860242521 730493256 /nfs/dbraw/zinc/49/32/56/730493256.db2.gz UYFLCAJFMSAVFC-UHFFFAOYSA-N 0 0 361.825 2.968 20 10 FFCDRN COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1ccc(Cl)c(F)c1 ZINC000779652272 738474773 /nfs/dbraw/zinc/47/47/73/738474773.db2.gz NEQACIRMPNXBEX-CYBMUJFWSA-N 0 0 353.733 2.534 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)Nc2cccc(CS(C)(=O)=O)c2C)c1 ZINC000860645365 730533462 /nfs/dbraw/zinc/53/34/62/730533462.db2.gz XEAXOIQJTXGJSE-UHFFFAOYSA-N 0 0 362.451 2.875 20 10 FFCDRN COc1ccc(CNC(=O)C2CC(O)(c3cccc(Cl)c3)C2)c(O)c1 ZINC000861490382 730617238 /nfs/dbraw/zinc/61/72/38/730617238.db2.gz SGWWOSZDMWMPMT-UHFFFAOYSA-N 0 0 361.825 2.968 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCC(C(=O)N3CCCC3)CC2)cc1F ZINC000862216957 730677067 /nfs/dbraw/zinc/67/70/67/730677067.db2.gz QLISEBXUFGDFMY-UHFFFAOYSA-N 0 0 351.441 2.865 20 10 FFCDRN COC(=O)[C@H](COC(C)C)N(C)Cc1c(O)cccc1Br ZINC000862254220 730682761 /nfs/dbraw/zinc/68/27/61/730682761.db2.gz WPJIXBJFWRBFBJ-ZDUSSCGKSA-N 0 0 360.248 2.553 20 10 FFCDRN Cc1nccc(N2CCN(Cc3c(O)cccc3Br)CC2)n1 ZINC000862326133 730687580 /nfs/dbraw/zinc/68/75/80/730687580.db2.gz JMZISJXPJDAGCW-UHFFFAOYSA-N 0 0 363.259 2.575 20 10 FFCDRN CS(=O)(=O)c1ccc([C@@H]2CN(Cc3cc(F)ccc3O)CCO2)cc1 ZINC000862437981 730702537 /nfs/dbraw/zinc/70/25/37/730702537.db2.gz KBKMMNFZLUNKQX-SFHVURJKSA-N 0 0 365.426 2.508 20 10 FFCDRN CC(=O)N1CSC[C@@H]1C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000863165156 730753468 /nfs/dbraw/zinc/75/34/68/730753468.db2.gz LMWAEOHOAYELRZ-GOSISDBHSA-N 0 0 357.479 2.632 20 10 FFCDRN Cc1cc(CNC(=O)[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000863164288 730753628 /nfs/dbraw/zinc/75/36/28/730753628.db2.gz FDKRBNXZIGXWPX-INIZCTEOSA-N 0 0 360.479 2.535 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccsc1Br ZINC000863180570 730753755 /nfs/dbraw/zinc/75/37/55/730753755.db2.gz CVKWHTHLJDJTIS-VQHVLOKHSA-N 0 0 359.270 2.813 20 10 FFCDRN COc1cc(NS(=O)(=O)C[C@@H](Cc2ccc(F)cc2)OC)ccc1O ZINC000863407618 730777454 /nfs/dbraw/zinc/77/74/54/730777454.db2.gz FDJUDFGOYCEMCX-OAHLLOKOSA-N 0 0 369.414 2.539 20 10 FFCDRN CN(C)c1ccc(CNc2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000863984738 730819185 /nfs/dbraw/zinc/81/91/85/730819185.db2.gz JGFNPCZSOHDTDK-UHFFFAOYSA-N 0 0 351.447 2.754 20 10 FFCDRN Cn1nc(C(=O)OC(C)(C)C)cc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000864357372 730841186 /nfs/dbraw/zinc/84/11/86/730841186.db2.gz XLVGYPKVBOTOIJ-XYOKQWHBSA-N 0 0 365.480 2.739 20 10 FFCDRN COc1cc(Cl)c(/C=C2\SC(N3CCOCC3)=NC2=O)cc1OC ZINC000865216849 730924824 /nfs/dbraw/zinc/92/48/24/730924824.db2.gz IGGTVIRFCLSFJI-ZSOIEALJSA-N 0 0 368.842 2.660 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCn2nccc21 ZINC000865339065 730943394 /nfs/dbraw/zinc/94/33/94/730943394.db2.gz CEHOJRSLFFVYRV-CQSZACIVSA-N 0 0 360.801 2.541 20 10 FFCDRN COc1ccc(N2CCN(c3ncc(F)cc3[N+](=O)[O-])CC2)cc1F ZINC000865601358 730975533 /nfs/dbraw/zinc/97/55/33/730975533.db2.gz QDTXQUWJJKNVKO-UHFFFAOYSA-N 0 0 350.325 2.603 20 10 FFCDRN COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1OC ZINC000867833821 731231952 /nfs/dbraw/zinc/23/19/52/731231952.db2.gz BNKNDSXONOTSDE-GFCCVEGCSA-N 0 0 351.424 2.757 20 10 FFCDRN C[C@H](NS(=O)(=O)CCC(=O)OCc1ccccc1)c1ccccc1O ZINC000867834459 731232103 /nfs/dbraw/zinc/23/21/03/731232103.db2.gz OVBLGIOHYJIEQO-AWEZNQCLSA-N 0 0 363.435 2.506 20 10 FFCDRN O=C(/C=C/COC1CCOCC1)NCc1cc(Br)ccc1O ZINC000868307055 731279938 /nfs/dbraw/zinc/27/99/38/731279938.db2.gz MTGTVQAOKUGNIY-OWOJBTEDSA-N 0 0 370.243 2.523 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@H]4CSC[C@H]4C3)C2)cc1 ZINC000868762301 731328236 /nfs/dbraw/zinc/32/82/36/731328236.db2.gz NNEHXNFGZXOHBN-OAGGEKHMSA-N 0 0 361.511 2.668 20 10 FFCDRN COC(=O)c1cc(OCCCS(=O)(=O)C(C)(C)C)ccc1N(C)C ZINC000871681297 731665019 /nfs/dbraw/zinc/66/50/19/731665019.db2.gz AAYAEHOCPKQKLN-UHFFFAOYSA-N 0 0 357.472 2.521 20 10 FFCDRN Cc1cc(C(=O)CN2C(=O)O[C@H](C)C2=O)c(C)n1-c1ccc(Cl)cn1 ZINC000871779009 731680252 /nfs/dbraw/zinc/68/02/52/731680252.db2.gz AWYKWGURSLTKGR-LLVKDONJSA-N 0 0 361.785 2.693 20 10 FFCDRN COc1ccc(N2CC[C@@H](Nc3nc(Cl)nc4c3cnn4C)C2)cc1 ZINC000872594305 731797272 /nfs/dbraw/zinc/79/72/72/731797272.db2.gz QGBLPHQMNXLNGO-LLVKDONJSA-N 0 0 358.833 2.716 20 10 FFCDRN CC1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCCC1 ZINC000780404600 738540861 /nfs/dbraw/zinc/54/08/61/738540861.db2.gz INYCVGQSKSRHQA-UHFFFAOYSA-N 0 0 364.511 2.508 20 10 FFCDRN Cc1nccnc1[C@@H](C)NC(=O)NCc1cc(Br)ccc1O ZINC000873246751 731895093 /nfs/dbraw/zinc/89/50/93/731895093.db2.gz AKFWCDCGIWHGFB-SNVBAGLBSA-N 0 0 365.231 2.814 20 10 FFCDRN C[C@H](NC(=O)C(=O)Nc1nc2c(s1)CCC2(C)C)c1ccccc1O ZINC000874191225 732023612 /nfs/dbraw/zinc/02/36/12/732023612.db2.gz BDWOODCJZHKFPS-JTQLQIEISA-N 0 0 359.451 2.888 20 10 FFCDRN COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(C)c(O)c1O ZINC000780916254 738588119 /nfs/dbraw/zinc/58/81/19/738588119.db2.gz FXVZRTAMSIKLRT-UHFFFAOYSA-N 0 0 363.797 2.875 20 10 FFCDRN Cc1nnsc1CNCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000876946078 732301407 /nfs/dbraw/zinc/30/14/07/732301407.db2.gz NJXGYQQNJLKHQA-RYUDHWBXSA-N 0 0 350.463 2.889 20 10 FFCDRN COCCc1ncc(CN(C)c2ccc(OCC(=O)OC)cc2)s1 ZINC000877315462 732343622 /nfs/dbraw/zinc/34/36/22/732343622.db2.gz TYSMLRMKKJFCBJ-UHFFFAOYSA-N 0 0 350.440 2.520 20 10 FFCDRN CCN(CC)c1ccc(CN2CC[C@@H]3CS(=O)(=O)C[C@@H]3C2)cc1F ZINC000877789824 732432150 /nfs/dbraw/zinc/43/21/50/732432150.db2.gz CSLYRWMOWJQAPG-CVEARBPZSA-N 0 0 354.491 2.538 20 10 FFCDRN CCN(CC)c1ccc(CN2CC[C@@H]3CS(=O)(=O)C[C@H]3C2)cc1F ZINC000877789828 732432335 /nfs/dbraw/zinc/43/23/35/732432335.db2.gz CSLYRWMOWJQAPG-HZPDHXFCSA-N 0 0 354.491 2.538 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](CO)Cc2ccco2)c1 ZINC000781635229 738643411 /nfs/dbraw/zinc/64/34/11/738643411.db2.gz KRZDREQVILTHHV-GFCCVEGCSA-N 0 0 354.244 2.997 20 10 FFCDRN CCCNC(=O)Cc1csc(NC(=O)N(C)Cc2ccccc2O)n1 ZINC000880904654 732987716 /nfs/dbraw/zinc/98/77/16/732987716.db2.gz AGLBSEHAEAXBQG-UHFFFAOYSA-N 0 0 362.455 2.581 20 10 FFCDRN Cc1cc(C(=O)Cn2cc([C@H](C)O)nn2)c(C)n1-c1ccc(Cl)cn1 ZINC000881351056 733043453 /nfs/dbraw/zinc/04/34/53/733043453.db2.gz MASVHBXTMAAHCN-LBPRGKRZSA-N 0 0 359.817 2.670 20 10 FFCDRN C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000926976766 738677016 /nfs/dbraw/zinc/67/70/16/738677016.db2.gz AXXGZIFMVJYFKA-RKDXNWHRSA-N 0 0 361.667 2.985 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)[C@H]3CCOC[C@H]3C)cc2)CC1 ZINC000881871234 733124447 /nfs/dbraw/zinc/12/44/47/733124447.db2.gz LKHWSKXZZDBKME-APWZRJJASA-N 0 0 366.527 2.767 20 10 FFCDRN COC[C@@](C)(CCO)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883029000 733323762 /nfs/dbraw/zinc/32/37/62/733323762.db2.gz ARGOBSVSBPXUOP-CYBMUJFWSA-N 0 0 352.656 2.685 20 10 FFCDRN CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)c2c([O-])cccc2F)CC1 ZINC000886580430 733806134 /nfs/dbraw/zinc/80/61/34/733806134.db2.gz IOHYTNNNZFOYKL-ZDUSSCGKSA-N 0 0 358.479 2.632 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2nc3c(s2)COCC3)cc1 ZINC000927683695 738769481 /nfs/dbraw/zinc/76/94/81/738769481.db2.gz BXFYGNTZAZBERH-UHFFFAOYSA-N 0 0 360.483 2.623 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000782976509 738769828 /nfs/dbraw/zinc/76/98/28/738769828.db2.gz IIZFZBMIECCAPO-CYBMUJFWSA-N 0 0 374.495 2.832 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCCS1(=O)=O ZINC000889816048 734229135 /nfs/dbraw/zinc/22/91/35/734229135.db2.gz PCWNURLYCQBWFW-INIZCTEOSA-N 0 0 368.499 2.671 20 10 FFCDRN COc1ccc([C@@]2(C(=O)NCc3cccc(Cl)c3O)C[C@@H](O)C2)cc1 ZINC000890761373 734337159 /nfs/dbraw/zinc/33/71/59/734337159.db2.gz PTJSYDJHNYUTCK-QUWSVYMGSA-N 0 0 361.825 2.763 20 10 FFCDRN Cc1cc(CC(=O)NCCn2cncn2)c(C)n1-c1ccc(Cl)cc1 ZINC000726535890 734432647 /nfs/dbraw/zinc/43/26/47/734432647.db2.gz HRAYUWKTRHHYSU-UHFFFAOYSA-N 0 0 357.845 2.698 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)CCn3cc(Cl)cn3)CC2)cc1 ZINC000726562017 734434826 /nfs/dbraw/zinc/43/48/26/734434826.db2.gz CNURIUGHOKQZQT-UHFFFAOYSA-N 0 0 362.861 2.720 20 10 FFCDRN O=C(N[C@H]1CCCN2CCSC[C@H]12)c1cc2cc(O)c(O)cc2s1 ZINC000928071306 738815819 /nfs/dbraw/zinc/81/58/19/738815819.db2.gz CLFBYJLKTOOUBV-NWDGAFQWSA-N 0 0 364.492 2.622 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCCCS1 ZINC000783602823 738818286 /nfs/dbraw/zinc/81/82/86/738818286.db2.gz PYVFEOVKWLYUAS-AWEZNQCLSA-N 0 0 357.859 2.833 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC=C(Cl)C1 ZINC000892115577 734516762 /nfs/dbraw/zinc/51/67/62/734516762.db2.gz PVXNBHOVJIWYDM-UHFFFAOYSA-N 0 0 367.852 2.825 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1cncs1 ZINC000892114463 734516923 /nfs/dbraw/zinc/51/69/23/734516923.db2.gz FSHWUFMWIJRYNX-LBPRGKRZSA-N 0 0 364.446 2.679 20 10 FFCDRN COC(=O)c1sccc1CNCc1ccc(N2CCOCC2)c(F)c1 ZINC000892622555 734581591 /nfs/dbraw/zinc/58/15/91/734581591.db2.gz RBJMNGFWBGKJRL-UHFFFAOYSA-N 0 0 364.442 2.800 20 10 FFCDRN COc1cccc(CNC(=O)COCc2nc3ccccc3s2)c1O ZINC000729861246 734599972 /nfs/dbraw/zinc/59/99/72/734599972.db2.gz IJAWZPFCJAEMQJ-UHFFFAOYSA-N 0 0 358.419 2.844 20 10 FFCDRN COc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)c(Cl)c1OC ZINC000730435045 734636818 /nfs/dbraw/zinc/63/68/18/734636818.db2.gz WFNPVYBHWYRRSX-XFXZXTDPSA-N 0 0 368.842 2.660 20 10 FFCDRN COc1cc(N(C)[C@H]2CCC3(C[C@@H]2F)OCCO3)cc(OC)c1OC ZINC000893462734 734704720 /nfs/dbraw/zinc/70/47/20/734704720.db2.gz UJGUSFXWVCEOOH-KBPBESRZSA-N 0 0 355.406 2.782 20 10 FFCDRN Cc1cc(C(=O)CN2CCS(=O)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000732200818 734722996 /nfs/dbraw/zinc/72/29/96/734722996.db2.gz ARAAUSQOJXUNBB-UHFFFAOYSA-N 0 0 358.507 2.958 20 10 FFCDRN NC(=O)c1cccc(Oc2ccc(NC(=O)C3=CC(=O)CS3)cn2)c1 ZINC000732281128 734730024 /nfs/dbraw/zinc/73/00/24/734730024.db2.gz PBEGVWHJSCUBAV-UHFFFAOYSA-N 0 0 355.375 2.992 20 10 FFCDRN CC1(C)CN(C2(CNC(=O)C3=CC(=O)CS3)CCCCC2)CCO1 ZINC000732290375 734730880 /nfs/dbraw/zinc/73/08/80/734730880.db2.gz OBZZXIGVXWKQCG-UHFFFAOYSA-N 0 0 352.500 2.997 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCOC[C@H]1C[C@H]1CCCO1 ZINC000893642397 734731615 /nfs/dbraw/zinc/73/16/15/734731615.db2.gz ONUQCISAXNGOFI-ZIAGYGMSSA-N 0 0 371.528 2.605 20 10 FFCDRN CC(C)OCc1ccc(CNC(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC000732352980 734736548 /nfs/dbraw/zinc/73/65/48/734736548.db2.gz JGSSCAMJOCQTDS-UHFFFAOYSA-N 0 0 363.435 2.852 20 10 FFCDRN O=C(NCc1ccccc1O)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000732459292 734742835 /nfs/dbraw/zinc/74/28/35/734742835.db2.gz ROGUHVZIPNOJDT-CQSZACIVSA-N 0 0 359.813 2.650 20 10 FFCDRN O=C(NCC(F)(F)F)C1CC[NH+](Cc2cc(F)cc(F)c2[O-])CC1 ZINC000893962975 734778675 /nfs/dbraw/zinc/77/86/75/734778675.db2.gz VJVZKORMIPFRNC-UHFFFAOYSA-N 0 0 352.303 2.561 20 10 FFCDRN CCS(=O)(=O)C[C@@H](C)N(C)C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000733120578 734791400 /nfs/dbraw/zinc/79/14/00/734791400.db2.gz DDXWIJZYNWSMMC-MRXNPFEDSA-N 0 0 362.495 2.989 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894048177 734792537 /nfs/dbraw/zinc/79/25/37/734792537.db2.gz ZKMYZCGALWWJSQ-CHWSQXEVSA-N 0 0 360.223 2.878 20 10 FFCDRN O=C(CCNC(=O)c1ccsc1)NCCCSc1nccs1 ZINC000733880782 734855814 /nfs/dbraw/zinc/85/58/14/734855814.db2.gz NZUUWLHVXAKQFD-UHFFFAOYSA-N 0 0 355.510 2.623 20 10 FFCDRN CC(=O)Nc1ccc(S(=O)(=O)NCCCSc2nccs2)cc1 ZINC000733900068 734857823 /nfs/dbraw/zinc/85/78/23/734857823.db2.gz SJPLPBLOWWWOHW-UHFFFAOYSA-N 0 0 371.509 2.562 20 10 FFCDRN CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000733974920 734865054 /nfs/dbraw/zinc/86/50/54/734865054.db2.gz PYZLDGMBKOHDLT-LLVKDONJSA-N 0 0 373.569 2.689 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2cc(OC)c(OC)cc2F)c1 ZINC000734063673 734872777 /nfs/dbraw/zinc/87/27/77/734872777.db2.gz LXQKGLAVXMPDHY-UHFFFAOYSA-N 0 0 350.346 2.879 20 10 FFCDRN CC(C)(C)OC(=O)NC/C=C\CNC(=O)NCc1cccc(Cl)c1O ZINC000894910857 734935416 /nfs/dbraw/zinc/93/54/16/734935416.db2.gz RZVFYRZMIBZVEQ-PLNGDYQASA-N 0 0 369.849 2.926 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NC3C[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000895649928 735036369 /nfs/dbraw/zinc/03/63/69/735036369.db2.gz FXSWSJJWMUWTBO-HQNOKGKPSA-N 0 0 361.511 3.000 20 10 FFCDRN CCN(CC)c1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1F ZINC000739425414 735051199 /nfs/dbraw/zinc/05/11/99/735051199.db2.gz POKMRTNEUWCZPN-VBKFSLOCSA-N 0 0 363.458 2.974 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000895954195 735079608 /nfs/dbraw/zinc/07/96/08/735079608.db2.gz KARIGYGFAQVNPV-LLVKDONJSA-N 0 0 362.739 2.845 20 10 FFCDRN O=C1N[C@H](C2CC[NH+](Cc3cc(Br)cc(F)c3[O-])CC2)CO1 ZINC000897019203 735192105 /nfs/dbraw/zinc/19/21/05/735192105.db2.gz LQRKUAIXOGGZPY-ZDUSSCGKSA-N 0 0 373.222 2.614 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000742298174 735221590 /nfs/dbraw/zinc/22/15/90/735221590.db2.gz IHDFWUSSBPVNSU-UHFFFAOYSA-N 0 0 358.385 2.957 20 10 FFCDRN C[C@@H]1CC2(CC(NC(=O)NCc3cc(Br)ccc3O)C2)CO1 ZINC000897805800 735279094 /nfs/dbraw/zinc/27/90/94/735279094.db2.gz KHHICZRXMPKARA-NBZBQWRSSA-N 0 0 369.259 2.912 20 10 FFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3nc(C4CC4)ns3)cc2)C1 ZINC000750017373 735767068 /nfs/dbraw/zinc/76/70/68/735767068.db2.gz UHCVHFDOKMVTLB-CQSZACIVSA-N 0 0 357.483 2.729 20 10 FFCDRN CCOC(=O)CCS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000751136713 735848621 /nfs/dbraw/zinc/84/86/21/735848621.db2.gz LNPYVCQDIGNSLJ-UHFFFAOYSA-N 0 0 369.483 2.810 20 10 FFCDRN Cc1cc(Cl)c(S(=O)(=O)NCc2ccccc2O)cc1[N+](=O)[O-] ZINC000751149363 735849005 /nfs/dbraw/zinc/84/90/05/735849005.db2.gz UCKXPFNYGFPWQP-UHFFFAOYSA-N 0 0 356.787 2.741 20 10 FFCDRN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N(C)Cc1ccccc1O ZINC000751239683 735856421 /nfs/dbraw/zinc/85/64/21/735856421.db2.gz LUGKJIUTHQUIOS-UHFFFAOYSA-N 0 0 369.826 2.653 20 10 FFCDRN Cc1cc(CS(=O)(=O)N(Cc2ccccc2O)C2CCCC2)on1 ZINC000751361149 735866516 /nfs/dbraw/zinc/86/65/16/735866516.db2.gz PQYVECKNIAEGMR-UHFFFAOYSA-N 0 0 350.440 2.963 20 10 FFCDRN CC(C)CNC(=O)[C@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751936522 735937759 /nfs/dbraw/zinc/93/77/59/735937759.db2.gz JETFOIMIEYGTQM-LBPRGKRZSA-N 0 0 361.467 2.634 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2csc([C@H](C)OC)n2)c1 ZINC000752967062 736027094 /nfs/dbraw/zinc/02/70/94/736027094.db2.gz SAEQOQNRXNVPTD-JTQLQIEISA-N 0 0 351.428 2.564 20 10 FFCDRN CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2[O-])CCS(=O)(=O)C1 ZINC000903366080 736082179 /nfs/dbraw/zinc/08/21/79/736082179.db2.gz SLGAFDBKASCTSV-LKFCYVNXSA-N 0 0 368.282 2.553 20 10 FFCDRN [NH3+][C@@H]1CN(Cc2cccc(Br)c2[O-])CC[C@@H]1C(F)(F)F ZINC000903982655 736199607 /nfs/dbraw/zinc/19/96/07/736199607.db2.gz TXCJPBVTTFCEFR-GXSJLCMTSA-N 0 0 353.182 2.866 20 10 FFCDRN Cc1ccc(/C=C\C(=O)N2CCOc3ncc(Br)cc32)cn1 ZINC000754812511 736202747 /nfs/dbraw/zinc/20/27/47/736202747.db2.gz YKAGYBVXHUCHIG-PLNGDYQASA-N 0 0 360.211 2.986 20 10 FFCDRN CCC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)COC1 ZINC000755291395 736247627 /nfs/dbraw/zinc/24/76/27/736247627.db2.gz CFONNRLSTUUQIF-UHFFFAOYSA-N 0 0 354.397 2.800 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ncc(C(C)C)s2)c1 ZINC000756108316 736307656 /nfs/dbraw/zinc/30/76/56/736307656.db2.gz XCKFETXALLIPSB-JTQLQIEISA-N 0 0 363.439 2.797 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756536718 736339781 /nfs/dbraw/zinc/33/97/81/736339781.db2.gz SZNZRMSZQAGPIL-QWRGUYRKSA-N 0 0 370.421 2.990 20 10 FFCDRN COC[C@@H](CCO)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756595003 736345884 /nfs/dbraw/zinc/34/58/84/736345884.db2.gz SSNZBKQITJYIGZ-PSASIEDQSA-N 0 0 352.656 2.856 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)c2c(F)cccc2F)c1 ZINC000756741264 736357188 /nfs/dbraw/zinc/35/71/88/736357188.db2.gz WTZIKOWPOJVBOB-QLJPJBMISA-N 0 0 351.349 2.841 20 10 FFCDRN CC(=O)c1cc(Cl)cc(Cn2cc(CO[C@H]3CCCCO3)nn2)c1O ZINC000905783448 736397649 /nfs/dbraw/zinc/39/76/49/736397649.db2.gz GIOIZDZNDGXGCC-INIZCTEOSA-N 0 0 365.817 2.931 20 10 FFCDRN C[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1ccc(Br)cc1O ZINC000757637930 736414958 /nfs/dbraw/zinc/41/49/58/736414958.db2.gz PARKQHLTXRBCHO-JTQLQIEISA-N 0 0 367.247 2.613 20 10 FFCDRN COc1ccc(N(C)CC(=O)NC[C@@H]2Cc3ccccc3O2)cc1Cl ZINC000757855448 736430910 /nfs/dbraw/zinc/43/09/10/736430910.db2.gz BCEIFNCSMATOOV-HNNXBMFYSA-N 0 0 360.841 2.905 20 10 FFCDRN Cn1nc(-c2cccnc2)cc1C(=O)NCCCSc1nccs1 ZINC000906668978 736531844 /nfs/dbraw/zinc/53/18/44/736531844.db2.gz CACDGJLTAFJMDP-UHFFFAOYSA-N 0 0 359.480 2.851 20 10 FFCDRN COc1cc(OC)cc(N2CCCN(C(=O)C3=CC(=O)CS3)CC2)c1 ZINC000759099739 736546953 /nfs/dbraw/zinc/54/69/53/736546953.db2.gz UPSLGKUOQFCIIV-UHFFFAOYSA-N 0 0 362.451 2.823 20 10 FFCDRN CC(C)n1cc(Br)c(C(=O)NCc2ccc(O)c(O)c2)n1 ZINC000907059034 736577624 /nfs/dbraw/zinc/57/76/24/736577624.db2.gz DKILENDWEWNNMI-UHFFFAOYSA-N 0 0 354.204 2.568 20 10 FFCDRN O=C(NCCCSc1nccs1)NC1CCN(CC(F)F)CC1 ZINC000759575883 736578128 /nfs/dbraw/zinc/57/81/28/736578128.db2.gz QSVSJFSGEPLGJO-UHFFFAOYSA-N 0 0 364.487 2.654 20 10 FFCDRN Cc1nc(NC(=O)[C@@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)sc1C ZINC000759593368 736579517 /nfs/dbraw/zinc/57/95/17/736579517.db2.gz NRODDOQPWKPIFB-ONRRBMGISA-N 0 0 362.407 2.755 20 10 FFCDRN C[C@H]1CN(C(=O)NCCCSc2nccs2)C[C@@H](C(F)(F)F)O1 ZINC000759602342 736580079 /nfs/dbraw/zinc/58/00/79/736580079.db2.gz SZCMMAFJYQBMNE-UWVGGRQHSA-N 0 0 369.434 2.987 20 10 FFCDRN CC(C)Oc1ccc(N(C)CC(=O)NC(=O)NCc2cccs2)cc1 ZINC000759915477 736603463 /nfs/dbraw/zinc/60/34/63/736603463.db2.gz PCWSCKMGBNEUFM-UHFFFAOYSA-N 0 0 361.467 2.998 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(S(C)(=O)=O)CC1 ZINC000760955228 736683407 /nfs/dbraw/zinc/68/34/07/736683407.db2.gz GYPCBOZEGRRXJP-UHFFFAOYSA-N 0 0 366.508 2.805 20 10 FFCDRN Cc1nc(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)cs1 ZINC000760974093 736684942 /nfs/dbraw/zinc/68/49/42/736684942.db2.gz GUQLCGLBPRKNCM-UHFFFAOYSA-N 0 0 351.815 2.775 20 10 FFCDRN 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COc1ccc(O)c([C@H](C)NC(=O)NCc2c(C)nc3ccccn32)c1 ZINC000898971722 976825385 /nfs/dbraw/zinc/82/53/85/976825385.db2.gz GUHAXSGIPOORPX-LBPRGKRZSA-N 0 0 354.410 2.917 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000178545569 976865341 /nfs/dbraw/zinc/86/53/41/976865341.db2.gz BBYFHVUZALTKCW-FQEVSTJZSA-N 0 0 352.434 2.658 20 10 FFCDRN C[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981890221 976903809 /nfs/dbraw/zinc/90/38/09/976903809.db2.gz BEJFLLQFJIFOIG-NOXHYTERSA-N 0 0 371.441 2.520 20 10 FFCDRN Cc1nc(C(C)C)[nH]c(=O)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000843812737 977304084 /nfs/dbraw/zinc/30/40/84/977304084.db2.gz ZJPWYAPGNWFSFD-UHFFFAOYSA-N 0 0 356.426 2.719 20 10 FFCDRN Cc1cc(C(=O)CN(CCO)[C@H]2CCO[C@@H]2C)c(C)n1-c1ccccc1 ZINC000796581198 1014407269 /nfs/dbraw/zinc/40/72/69/1014407269.db2.gz VMVYPTYSJYKHIB-XLIONFOSSA-N 0 0 356.466 2.749 20 10 FFCDRN COCN1C(=O)CCc2cc(NCc3ccc(OC)c(OC)c3O)ccc21 ZINC000893898163 977584156 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COc1ccc2c(c1)OC[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)C2 ZINC000728979505 978137894 /nfs/dbraw/zinc/13/78/94/978137894.db2.gz WWXFIPABGWIZHZ-JSGCOSHPSA-N 0 0 357.406 2.838 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2ccc3c(c2)OCCO3)c1 ZINC000728980206 978145290 /nfs/dbraw/zinc/14/52/90/978145290.db2.gz XZRRRAJHKGVEQQ-ZDUSSCGKSA-N 0 0 357.406 2.982 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000760591374 979125260 /nfs/dbraw/zinc/12/52/60/979125260.db2.gz RUIAXHZGIVOZBN-YQPMCPROSA-N 0 0 357.381 2.533 20 10 FFCDRN CC[C@](C[NH2+]Cc1cc(OC)c(OC)cc1O)(C(=O)[O-])c1ccccc1 ZINC001595167378 979720092 /nfs/dbraw/zinc/72/00/92/979720092.db2.gz MTKBGMRULNLTTL-HXUWFJFHSA-N 0 0 359.422 2.932 20 10 FFCDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2ccc(C)cc2O)cc1 ZINC000877495910 1014601070 /nfs/dbraw/zinc/60/10/70/1014601070.db2.gz JBZPKAAEKMKRBT-AWEZNQCLSA-N 0 0 356.422 2.994 20 10 FFCDRN Cc1cc(C)c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)n1 ZINC000906317380 980618984 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CCn1ncc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C1CC1 ZINC000877919934 1014766829 /nfs/dbraw/zinc/76/68/29/1014766829.db2.gz YRDUSLFQOFDOLW-UHFFFAOYSA-N 0 0 354.454 2.751 20 10 FFCDRN C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)C[C@H](c2ccccc2)O1 ZINC000138428111 981795225 /nfs/dbraw/zinc/79/52/25/981795225.db2.gz WDHCLLNQPQZNQM-LAUBAEHRSA-N 0 0 367.493 2.831 20 10 FFCDRN Cc1cc(CC(=O)NCCC(=O)Nc2ncc[nH]2)c(C)n1-c1ccccc1 ZINC000910326709 981912389 /nfs/dbraw/zinc/91/23/89/981912389.db2.gz FSOSNBUDZPYALG-UHFFFAOYSA-N 0 0 365.437 2.505 20 10 FFCDRN CCCN(CC)C(=O)c1ccc(C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910955822 982098767 /nfs/dbraw/zinc/09/87/67/982098767.db2.gz UZLNXLKWNKCXNI-UHFFFAOYSA-N 0 0 356.422 2.900 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)[C@H]1c2ccccc2C(=O)OC12CCC2 ZINC000910955973 982098799 /nfs/dbraw/zinc/09/87/99/982098799.db2.gz IMMBNXHREQNGKG-QGZVFWFLSA-N 0 0 353.374 2.591 20 10 FFCDRN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ccc(O)cc2O)C1 ZINC000910947676 982107035 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DNAYYJOAWKMCDE-UHFFFAOYSA-N 0 0 354.406 2.704 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCn3cncc32)cc1 ZINC000912583899 984069428 /nfs/dbraw/zinc/06/94/28/984069428.db2.gz DPADROFTFNMTIW-LJQANCHMSA-N 0 0 362.433 2.907 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 ZINC000785424477 984212018 /nfs/dbraw/zinc/21/20/18/984212018.db2.gz HXYOJGSZNWOCSI-HXUWFJFHSA-N 0 0 365.477 2.905 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000151209740 984216090 /nfs/dbraw/zinc/21/60/90/984216090.db2.gz BXBZMQMRCWUMSW-MAUKXSAKSA-N 0 0 369.465 2.863 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN[C@@H](c2cnn(C)c2)C1 ZINC000913470102 984274637 /nfs/dbraw/zinc/27/46/37/984274637.db2.gz XNFZDXOMUFSZLH-MRXNPFEDSA-N 0 0 369.494 2.676 20 10 FFCDRN COc1cccc(C(=O)N2CCN(Cc3cc(C)c(C)cc3O)CC2)c1 ZINC000151389052 984276059 /nfs/dbraw/zinc/27/60/59/984276059.db2.gz JXPFTJHETMXXIT-UHFFFAOYSA-N 0 0 354.450 2.976 20 10 FFCDRN COCCOc1ncccc1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000151426912 984283933 /nfs/dbraw/zinc/28/39/33/984283933.db2.gz ILMYHEDLODHZKW-UHFFFAOYSA-N 0 0 368.437 2.805 20 10 FFCDRN Cc1ccccc1OCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000054785780 984302535 /nfs/dbraw/zinc/30/25/35/984302535.db2.gz XBBQVZDMYFPEPR-UHFFFAOYSA-N 0 0 369.465 2.710 20 10 FFCDRN CCc1ccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)cc1F ZINC000163926956 984314075 /nfs/dbraw/zinc/31/40/75/984314075.db2.gz XJLYVANKPKGHFO-LLVKDONJSA-N 0 0 360.385 2.918 20 10 FFCDRN CCOc1ccc(N(C)CC(=O)N(C)c2ccccc2C(=O)OC)cc1 ZINC000157314022 984538216 /nfs/dbraw/zinc/53/82/16/984538216.db2.gz AOUXOSGWXLOQTF-UHFFFAOYSA-N 0 0 356.422 2.971 20 10 FFCDRN O=C(CN[C@H](c1ccccc1)C(F)(F)F)NCCc1ccc(O)c(O)c1 ZINC000157983099 984728772 /nfs/dbraw/zinc/72/87/72/984728772.db2.gz VNHWCZYKVLICFV-QGZVFWFLSA-N 0 0 368.355 2.650 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H](O)CCc1ccccc1 ZINC000764845559 984742458 /nfs/dbraw/zinc/74/24/58/984742458.db2.gz DEULIOXKJPBCIJ-FQEVSTJZSA-N 0 0 370.518 2.850 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCc3cccc(F)c3C2)cc1 ZINC000158096255 984769570 /nfs/dbraw/zinc/76/95/70/984769570.db2.gz YLWOMLMEQGMESJ-UHFFFAOYSA-N 0 0 355.457 2.908 20 10 FFCDRN O=[N+]([O-])c1cc(CN2CCCC3(C2)OCCO3)ccc1N1CCCCC1 ZINC000761215938 984914729 /nfs/dbraw/zinc/91/47/29/984914729.db2.gz WLEWITSLQFOAHL-UHFFFAOYSA-N 0 0 361.442 2.924 20 10 FFCDRN COCc1cncc(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000765028854 984929142 /nfs/dbraw/zinc/92/91/42/984929142.db2.gz CEESNKDTAUKJBB-UHFFFAOYSA-N 0 0 355.438 2.635 20 10 FFCDRN COc1ccc(N2CCC(N3C(=O)[C@@H]4C[C@@H](C)CCN4C3=O)CC2)cc1 ZINC000761224119 984939217 /nfs/dbraw/zinc/93/92/17/984939217.db2.gz SZKKWZFMPPJZFB-KSSFIOAISA-N 0 0 357.454 2.727 20 10 FFCDRN CCOc1nccc(C)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000765206363 984990291 /nfs/dbraw/zinc/99/02/91/984990291.db2.gz LLUWBZSEFXHKQV-UHFFFAOYSA-N 0 0 369.465 2.898 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCC[C@@H]2COc3ccccc3O2)cc1 ZINC000765306238 985030316 /nfs/dbraw/zinc/03/03/16/985030316.db2.gz DQXSMNQDEQJHFA-QGZVFWFLSA-N 0 0 355.438 2.782 20 10 FFCDRN CCOC(=O)c1csc(CC[NH2+][C@@H](C)c2cc(C(=O)[O-])ccc2O)n1 ZINC001596746402 985065103 /nfs/dbraw/zinc/06/51/03/985065103.db2.gz CQGUPJRCSLENMK-JTQLQIEISA-N 0 0 364.423 2.617 20 10 FFCDRN Cc1ccc(C[C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000785433986 985100522 /nfs/dbraw/zinc/10/05/22/985100522.db2.gz RDHCNLSUUJRNHI-QGZVFWFLSA-N 0 0 367.493 2.767 20 10 FFCDRN CN(C)c1ccc(C[N@H+](CC(=O)[N-]OCc2ccccc2)C2CC2)cc1 ZINC000765492520 985128306 /nfs/dbraw/zinc/12/83/06/985128306.db2.gz LSVLAJFETFSLGJ-UHFFFAOYSA-N 0 0 353.466 2.965 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CC(C)(C)c3ccccc32)cc1 ZINC000785433232 985136043 /nfs/dbraw/zinc/13/60/43/985136043.db2.gz KQNRZUWNIGFEOX-IBGZPJMESA-N 0 0 365.477 2.908 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cnc4cc[nH]c4c3)CC2)cc1 ZINC000878632230 1015142186 /nfs/dbraw/zinc/14/21/86/1015142186.db2.gz JXXNQDIFKJSWTQ-UHFFFAOYSA-N 0 0 350.422 2.970 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2N3C(=O)C2CCC2)cc1 ZINC000997642718 985626601 /nfs/dbraw/zinc/62/66/01/985626601.db2.gz SXJFXUMYNZFBLD-PMPSAXMXSA-N 0 0 369.425 2.511 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc([C@H]3CCC(=O)N3)cc2)c1 ZINC000878729922 1015186938 /nfs/dbraw/zinc/18/69/38/1015186938.db2.gz BLGGOYDZLBPEPC-SJKOYZFVSA-N 0 0 354.406 2.843 20 10 FFCDRN Cc1cc(C(=O)Cn2ccnc2S(C)(=O)=O)c(C)n1-c1ccc(C)cc1 ZINC000174107466 986096625 /nfs/dbraw/zinc/09/66/25/986096625.db2.gz PSVFYYUYJJFAHT-UHFFFAOYSA-N 0 0 371.462 2.885 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)[C@@H]1C[C@H]1C(=O)[O-] ZINC001594576490 986420742 /nfs/dbraw/zinc/42/07/42/986420742.db2.gz BOYSHZBOUFNAPM-RIQILIMLSA-N 0 0 350.434 2.638 20 10 FFCDRN CCOc1ccc(C[NH+]2CCN(c3ccc(C(=O)[O-])s3)CC2)c(O)c1 ZINC001597102269 986727199 /nfs/dbraw/zinc/72/71/99/986727199.db2.gz RDAKBZMYMMULHT-UHFFFAOYSA-N 0 0 362.451 2.873 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c1O ZINC000765864237 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C[C@@H](NC(=O)N1CCC2(CC1)C[C@@H](O)CCO2)c1ccc(N(C)C)cc1 ZINC000922053994 987576429 /nfs/dbraw/zinc/57/64/29/987576429.db2.gz HZMFMWMVINHVBG-QAPCUYQASA-N 0 0 361.486 2.529 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CCC(c3ccc(F)cn3)CC2)cc1 ZINC000879004972 1015320917 /nfs/dbraw/zinc/32/09/17/1015320917.db2.gz LGMLVBAHUFATJB-UHFFFAOYSA-N 0 0 370.472 2.783 20 10 FFCDRN CN(c1ccc(CNC(=O)NCC[C@H]2CNC(=O)C2)cc1)C1CCCCC1 ZINC000915089676 988220378 /nfs/dbraw/zinc/22/03/78/988220378.db2.gz HXGSMBSZPOUIOV-QGZVFWFLSA-N 0 0 372.513 2.781 20 10 FFCDRN Cc1cc(CCNC(=O)CN2CCCCC2=O)c(C)n1-c1ccccc1 ZINC000915140846 988247950 /nfs/dbraw/zinc/24/79/50/988247950.db2.gz PFFGJTZBZMHLFV-UHFFFAOYSA-N 0 0 353.466 2.765 20 10 FFCDRN COc1ccccc1-c1cc(C(=O)NCCc2ccc(O)c(O)c2)no1 ZINC000762263243 988261827 /nfs/dbraw/zinc/26/18/27/988261827.db2.gz CJCBOXYLFFUCKQ-UHFFFAOYSA-N 0 0 354.362 2.734 20 10 FFCDRN C[C@@H](C(=O)N1CCc2ccccc21)N1CCOc2cc(N(C)C)ccc21 ZINC000762342405 988322152 /nfs/dbraw/zinc/32/21/52/988322152.db2.gz 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C[C@H](NC(=O)Cn1cnc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC000920886304 990932013 /nfs/dbraw/zinc/93/20/13/990932013.db2.gz GSIICUPEBVQXCX-INIZCTEOSA-N 0 0 364.449 2.750 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC3([C@@H]4CCCCO4)CC3)C2)cc1 ZINC000923184158 990942195 /nfs/dbraw/zinc/94/21/95/990942195.db2.gz AMXSZBQIBMDNEI-YJBOKZPZSA-N 0 0 359.470 2.675 20 10 FFCDRN COc1cccc([C@H]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)C(=O)[O-])c1 ZINC001599688233 991022376 /nfs/dbraw/zinc/02/23/76/991022376.db2.gz UVUNJQZQSYFJRI-IBGZPJMESA-N 0 0 374.412 2.586 20 10 FFCDRN CCN(CC)C(=O)CCCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000175612162 991225342 /nfs/dbraw/zinc/22/53/42/991225342.db2.gz YNWZRVHAXRWQBX-UHFFFAOYSA-N 0 0 361.486 2.719 20 10 FFCDRN CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(C)c(O)c2O)C1 ZINC000179465302 991264852 /nfs/dbraw/zinc/26/48/52/991264852.db2.gz YJHDZUPAEDVHFP-HNNXBMFYSA-N 0 0 362.470 2.955 20 10 FFCDRN COc1ccc(O)c(CN2CCN(C(=O)c3c(F)cccc3F)CC2)c1 ZINC000179885557 991370027 /nfs/dbraw/zinc/37/00/27/991370027.db2.gz 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CSC1(CNC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)CC1 ZINC000809295469 994479511 /nfs/dbraw/zinc/47/95/11/994479511.db2.gz UTZINESUPNEGQY-UHFFFAOYSA-N 0 0 374.462 2.526 20 10 FFCDRN OC1CCN(c2ccc(CNc3ccc(OC(F)F)nn3)cc2F)CC1 ZINC000809348985 994492117 /nfs/dbraw/zinc/49/21/17/994492117.db2.gz OWLVWOISLLLFQO-UHFFFAOYSA-N 0 0 368.359 2.790 20 10 FFCDRN Cc1cc(C(=O)NCc2cn(C3CCC3)nn2)c(C)n1-c1ccccn1 ZINC000880556253 1015870474 /nfs/dbraw/zinc/87/04/74/1015870474.db2.gz IYLCZBOYVNZRLF-UHFFFAOYSA-N 0 0 350.426 2.736 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Nc3cncc(OC)c3)CC2)cc1 ZINC000880561373 1015871713 /nfs/dbraw/zinc/87/17/13/1015871713.db2.gz VWRPFGXATOJOOT-UHFFFAOYSA-N 0 0 356.426 2.889 20 10 FFCDRN COc1ccc(-c2ocnc2C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000809727736 994581496 /nfs/dbraw/zinc/58/14/96/994581496.db2.gz UUWIGMZZHNYASD-UHFFFAOYSA-N 0 0 354.362 2.734 20 10 FFCDRN CCOc1ccc(O)c(CN2CCN(C(=O)c3ccc(OC)cc3)CC2)c1 ZINC000809734128 994585369 /nfs/dbraw/zinc/58/53/69/994585369.db2.gz WPBZZMBWAUTYGG-UHFFFAOYSA-N 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CCCn1cc(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC000824205269 996836576 /nfs/dbraw/zinc/83/65/76/996836576.db2.gz KUTFZUPGMFRHNO-OAHLLOKOSA-N 0 0 357.458 2.950 20 10 FFCDRN CC(C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000803686950 1016071462 /nfs/dbraw/zinc/07/14/62/1016071462.db2.gz KHXPVFSFGBFRAR-QGZVFWFLSA-N 0 0 357.498 2.580 20 10 FFCDRN COCCN(CC(C)C)C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000824694151 997057318 /nfs/dbraw/zinc/05/73/18/997057318.db2.gz PGEOOOXIKHIVMB-QGZVFWFLSA-N 0 0 363.502 2.836 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCCc3c(C)noc3C)CC2)cc1 ZINC000730584197 997307958 /nfs/dbraw/zinc/30/79/58/997307958.db2.gz ZFPOQSKHJCUGJC-UHFFFAOYSA-N 0 0 372.469 2.811 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc3c2CCN(C)C3=O)c1 ZINC000825320973 997315170 /nfs/dbraw/zinc/31/51/70/997315170.db2.gz QYKAREZEHUHULL-GFCCVEGCSA-N 0 0 369.421 2.912 20 10 FFCDRN COc1cc(C[N@@H+]2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(O)c(C(C)(C)C)c1 ZINC001599407499 997351373 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COc1ccc(N(C)CC(=O)N(C)Cc2cccc(OC)c2OC)cc1 ZINC000844353456 997824644 /nfs/dbraw/zinc/82/46/44/997824644.db2.gz OHWNNBKISOWJHY-UHFFFAOYSA-N 0 0 358.438 2.807 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Cc3ccc(F)cc3[N+](=O)[O-])ccc21 ZINC000844357560 997827672 /nfs/dbraw/zinc/82/76/72/997827672.db2.gz OHEQQZQTYOIBEJ-UHFFFAOYSA-N 0 0 357.385 2.975 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2ncnn2-c2ccccc2)cc1 ZINC000844400420 997863136 /nfs/dbraw/zinc/86/31/36/997863136.db2.gz BMVXHFSAROOMTB-UHFFFAOYSA-N 0 0 351.454 2.844 20 10 FFCDRN COC1CCN(c2ccc(CN3CC(C)(C)O[C@@H]4COC[C@H]43)cc2)CC1 ZINC000844475712 997929620 /nfs/dbraw/zinc/92/96/20/997929620.db2.gz XAVLAZBGNDQEER-WOJBJXKFSA-N 0 0 360.498 2.680 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccnn2CC2CC2)cc1 ZINC000844635568 998041102 /nfs/dbraw/zinc/04/11/02/998041102.db2.gz ZEDZGTXKNPSIMD-UHFFFAOYSA-N 0 0 357.458 2.902 20 10 FFCDRN O=C1N[C@H](CCF)C(=O)N1[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000844719186 998092150 /nfs/dbraw/zinc/09/21/50/998092150.db2.gz 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/nfs/dbraw/zinc/23/95/82/1002239582.db2.gz AKGUWYVDDQGTTE-UHFFFAOYSA-N 0 0 361.417 2.943 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2)ccc1[N+](=O)[O-] ZINC001183443276 1002274899 /nfs/dbraw/zinc/27/48/99/1002274899.db2.gz HIKGRFQJQYCWGQ-KRWDZBQOSA-N 0 0 371.437 2.982 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)C(=O)NC3CCCCCC3)CC2)cc1 ZINC000774649293 1002310623 /nfs/dbraw/zinc/31/06/23/1002310623.db2.gz MZEARXVEKJACTP-UHFFFAOYSA-N 0 0 373.497 2.619 20 10 FFCDRN CCn1cc(CC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cn1 ZINC000790265356 1002322364 /nfs/dbraw/zinc/32/23/64/1002322364.db2.gz RBZLLNDGEHFHDJ-UHFFFAOYSA-N 0 0 359.385 2.860 20 10 FFCDRN CC[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)OC ZINC000790565672 1002414112 /nfs/dbraw/zinc/41/41/12/1002414112.db2.gz STPGZMSXRWSYBP-HNNXBMFYSA-N 0 0 370.396 2.572 20 10 FFCDRN CC(C)C[C@@](C)(O)C(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001183968334 1002455359 /nfs/dbraw/zinc/45/53/59/1002455359.db2.gz NPARDRJCYXWNHV-OAQYLSRUSA-N 0 0 366.417 2.780 20 10 FFCDRN CC[C@@H](C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)OC ZINC000790682472 1002457280 /nfs/dbraw/zinc/45/72/80/1002457280.db2.gz ZKOPWFKMAMSYTD-DOMZBBRYSA-N 0 0 370.396 2.572 20 10 FFCDRN C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000790969183 1002531881 /nfs/dbraw/zinc/53/18/81/1002531881.db2.gz SMQVQBSIEMCNER-KDOFPFPSSA-N 0 0 372.490 2.891 20 10 FFCDRN Cc1cc(C(=O)COC(=O)c2n[nH]nc2C)c(C)n1-c1ccc(F)cc1 ZINC000791044596 1002554269 /nfs/dbraw/zinc/55/42/69/1002554269.db2.gz MYXCQPSBPUHSJK-UHFFFAOYSA-N 0 0 356.357 2.699 20 10 FFCDRN Cc1cc(=O)oc2cc([O-])c(C[N@H+](C)CC(=O)NC(C)(C)C3CC3)cc12 ZINC001184362272 1002567263 /nfs/dbraw/zinc/56/72/63/1002567263.db2.gz OJYDFQNTUDMUOJ-UHFFFAOYSA-N 0 0 358.438 2.544 20 10 FFCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000772770849 1002628053 /nfs/dbraw/zinc/62/80/53/1002628053.db2.gz VFWRQKFWAXMYOF-DKSFEKEHSA-N 0 0 372.333 2.590 20 10 FFCDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1cc(F)ccc1F ZINC000772777455 1002742030 /nfs/dbraw/zinc/74/20/30/1002742030.db2.gz VDVZEKFLIZCNSY-WXGCRTCVSA-N 0 0 363.316 2.960 20 10 FFCDRN COCCn1c(C)cc(C(=O)COC(=O)C=Cc2ccc(O)c(O)c2)c1C ZINC000772777918 1002743862 /nfs/dbraw/zinc/74/38/62/1002743862.db2.gz YUDZERIBVUJFGC-ALCCZGGFSA-N 0 0 373.405 2.602 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)C2(COC)CCC2)cc1 ZINC001185093673 1002799253 /nfs/dbraw/zinc/79/92/53/1002799253.db2.gz MHRSBUQMEUCMRD-UHFFFAOYSA-N 0 0 354.516 2.864 20 10 FFCDRN COC(=O)Cc1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000792409673 1002997707 /nfs/dbraw/zinc/99/77/07/1002997707.db2.gz IAMZQBQBKHTWPB-ZDUSSCGKSA-N 0 0 356.426 2.746 20 10 FFCDRN COCCCCC(=O)Nc1c(N)ccc2c1C(=O)c1ccccc1C2=O ZINC001185627015 1003007705 /nfs/dbraw/zinc/00/77/05/1003007705.db2.gz QGVNDCGDGVIUJA-UHFFFAOYSA-N 0 0 352.390 2.799 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ncc(C)cc3OC)CC2)cc1F ZINC000792601562 1003090435 /nfs/dbraw/zinc/09/04/35/1003090435.db2.gz GEIYOPMYYRWBAD-UHFFFAOYSA-N 0 0 359.401 2.509 20 10 FFCDRN O=C(C[C@@H]1CCc2cc(F)ccc2C1)NCCc1cc(O)c(O)cc1O ZINC001186159297 1003203491 /nfs/dbraw/zinc/20/34/91/1003203491.db2.gz CAOLEECFOFECCI-GFCCVEGCSA-N 0 0 359.397 2.796 20 10 FFCDRN COCCn1cncc1CNC(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186850828 1003436734 /nfs/dbraw/zinc/43/67/34/1003436734.db2.gz YRTLJSSNSFVYEI-UHFFFAOYSA-N 0 0 368.437 2.573 20 10 FFCDRN CCOC(=O)[C@]12C[C@H]1CCN2C(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186828681 1003445122 /nfs/dbraw/zinc/44/51/22/1003445122.db2.gz DXSGXKZQACLKEX-VFNWGFHPSA-N 0 0 368.433 2.967 20 10 FFCDRN C[C@@H](Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)C1N=NC(=O)N1C ZINC001186881896 1003455285 /nfs/dbraw/zinc/45/52/85/1003455285.db2.gz XVBQNONBOHUJMM-LLVKDONJSA-N 0 0 367.365 2.833 20 10 FFCDRN CN(C)C(=O)OCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001186966396 1003503908 /nfs/dbraw/zinc/50/39/08/1003503908.db2.gz VXAWLKDLLDRBFU-UHFFFAOYSA-N 0 0 357.366 2.936 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1noc(-c2cccc(F)c2)n1 ZINC000793852121 1003515870 /nfs/dbraw/zinc/51/58/70/1003515870.db2.gz DKFJLSIEHVAFQJ-ALCCZGGFSA-N 0 0 355.325 2.617 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775068297 1003516771 /nfs/dbraw/zinc/51/67/71/1003516771.db2.gz LLTGKLJWTNHGPG-WMLDXEAASA-N 0 0 371.437 2.919 20 10 FFCDRN O=C([C@@H](O)CCCc1ccccc1)N1CCCc2cc(O)c(O)cc2C1 ZINC001187045087 1003533520 /nfs/dbraw/zinc/53/35/20/1003533520.db2.gz CTFWHJXGFSJDGZ-SFHVURJKSA-N 0 0 355.434 2.756 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1c(Cl)nc2sccn21)c1ccccc1O ZINC001187159183 1003571290 /nfs/dbraw/zinc/57/12/90/1003571290.db2.gz OTGVAJPALKHAGL-MRVPVSSYSA-N 0 0 357.844 2.794 20 10 FFCDRN COc1ccc(CNC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)c(O)c1 ZINC000794378168 1003620781 /nfs/dbraw/zinc/62/07/81/1003620781.db2.gz SYUXLRTYNYGLOS-GOSISDBHSA-N 0 0 358.413 2.821 20 10 FFCDRN C[C@@H](Nc1cc(N)c([N+](=O)[O-])c(CO)c1)c1ccc(N2CCOCC2)cc1 ZINC000804378542 1003642659 /nfs/dbraw/zinc/64/26/59/1003642659.db2.gz VMAQLKNTPXFPJX-CYBMUJFWSA-N 0 0 372.425 2.679 20 10 FFCDRN O=C(c1ccc(OC(F)(F)F)nc1)N1CCCc2cc(O)c(O)cc2C1 ZINC001196035062 1003652218 /nfs/dbraw/zinc/65/22/18/1003652218.db2.gz CSNOSISBTRYLCF-UHFFFAOYSA-N 0 0 368.311 2.980 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Cc3n[nH]c4ccccc34)CC2)cc1 ZINC000102382262 1003723482 /nfs/dbraw/zinc/72/34/82/1003723482.db2.gz APZTXPNJRNNWGN-UHFFFAOYSA-N 0 0 364.449 2.899 20 10 FFCDRN Cc1cnn(CC2CC2)c1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001116141278 1032150804 /nfs/dbraw/zinc/15/08/04/1032150804.db2.gz NEJNBBLOXFICJR-UHFFFAOYSA-N 0 0 369.469 2.760 20 10 FFCDRN Cc1ccc2c(c1)[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)CC2 ZINC000805054624 1003930739 /nfs/dbraw/zinc/93/07/39/1003930739.db2.gz NOGBDDYHWSCBAN-FQEVSTJZSA-N 0 0 365.477 2.823 20 10 FFCDRN COc1ccc(N2CCN(Cn3c(=O)sc4c3CC[C@@H](C)C4)CC2)cc1 ZINC000102763749 1004065841 /nfs/dbraw/zinc/06/58/41/1004065841.db2.gz QULXLLMWVQGADV-OAHLLOKOSA-N 0 0 373.522 2.823 20 10 FFCDRN CC(=O)N(C)C1CN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)C1 ZINC001197173413 1004111413 /nfs/dbraw/zinc/11/14/13/1004111413.db2.gz BAVARTBCLDZJNQ-FMQUCBEESA-N 0 0 372.450 2.953 20 10 FFCDRN CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1ccc2c(c1)OCO2 ZINC001192283142 1004116419 /nfs/dbraw/zinc/11/64/19/1004116419.db2.gz NDJPKTOKNKBOPN-UHFFFAOYSA-N 0 0 364.304 2.812 20 10 FFCDRN C[C@]1(CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCCO1 ZINC000805757725 1004135085 /nfs/dbraw/zinc/13/50/85/1004135085.db2.gz FFSSKTSXOFNQDY-OAQYLSRUSA-N 0 0 374.481 2.739 20 10 FFCDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc(=O)[nH]1 ZINC000775528862 1004173042 /nfs/dbraw/zinc/17/30/42/1004173042.db2.gz LYFXTQVBUMJZTL-UHFFFAOYSA-N 0 0 355.438 2.677 20 10 FFCDRN C[C@H](NC(=O)Nc1ccc(N2C(=O)C=CC2=O)cc1)c1ccccc1O ZINC001192620502 1004223513 /nfs/dbraw/zinc/22/35/13/1004223513.db2.gz RIBJEZIRPCTISU-LBPRGKRZSA-N 0 0 351.362 2.704 20 10 FFCDRN CC(=O)NCC[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000806432269 1004314069 /nfs/dbraw/zinc/31/40/69/1004314069.db2.gz IGKBJSYTPILGMR-LJQANCHMSA-N 0 0 372.513 2.735 20 10 FFCDRN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000806635511 1004380925 /nfs/dbraw/zinc/38/09/25/1004380925.db2.gz SOAUUPIVOQBHGB-BLLLJJGKSA-N 0 0 371.403 2.930 20 10 FFCDRN COc1cc(C(=O)N2CCn3cc(-c4ccccc4)nc3C2)cc(O)c1O ZINC001193096859 1004384310 /nfs/dbraw/zinc/38/43/10/1004384310.db2.gz CDJDHRCFUDNSNB-UHFFFAOYSA-N 0 0 365.389 2.626 20 10 FFCDRN CCOC1CC(N(C)C(=O)NC2CCN(c3ccc(OC)cc3)CC2)C1 ZINC000806683369 1004387447 /nfs/dbraw/zinc/38/74/47/1004387447.db2.gz HIXVSBTYKBKOLY-UHFFFAOYSA-N 0 0 361.486 2.873 20 10 FFCDRN COc1nn(C)cc1NC(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193162157 1004394283 /nfs/dbraw/zinc/39/42/83/1004394283.db2.gz VPXZTHQEUKFZMX-UHFFFAOYSA-N 0 0 357.439 2.871 20 10 FFCDRN CN(C)c1ccc(-c2nc(C(=O)N3CCc4nn(C)cc4C3)cs2)cc1 ZINC001193168221 1004397155 /nfs/dbraw/zinc/39/71/55/1004397155.db2.gz BVBZMUJRGYIADK-UHFFFAOYSA-N 0 0 367.478 2.808 20 10 FFCDRN CCOC(=O)[C@H](CCSC)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001193223840 1004407392 /nfs/dbraw/zinc/40/73/92/1004407392.db2.gz IKKOZIKOQFXAHH-INIZCTEOSA-N 0 0 367.515 2.579 20 10 FFCDRN CN(C)c1ccc(-c2nc(C(=O)NCCc3nncs3)cs2)cc1 ZINC001193179195 1004408202 /nfs/dbraw/zinc/40/82/02/1004408202.db2.gz JGLWPOYQVQSXLJ-UHFFFAOYSA-N 0 0 359.480 2.700 20 10 FFCDRN CC(=O)NCCCCCNC(=O)c1csc(-c2ccc(N(C)C)cc2)n1 ZINC001193179214 1004408659 /nfs/dbraw/zinc/40/86/59/1004408659.db2.gz JRXBDLCSPRLGGW-UHFFFAOYSA-N 0 0 374.510 2.912 20 10 FFCDRN O=C(c1ccc(O)c(O)c1Cl)N1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001193232479 1004411153 /nfs/dbraw/zinc/41/11/53/1004411153.db2.gz LDGUCBLNCHHCHH-LBPRGKRZSA-N 0 0 360.788 2.697 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnc(C3CCCC3)nc2N)c1 ZINC000806793205 1004416590 /nfs/dbraw/zinc/41/65/90/1004416590.db2.gz QHNCHVYPEFOJKB-NSHDSACASA-N 0 0 356.426 2.922 20 10 FFCDRN O=C(Nc1c(F)cccc1OC1COC1)c1ccc(O)c(O)c1Cl ZINC001193229092 1004429835 /nfs/dbraw/zinc/42/98/35/1004429835.db2.gz DAUUVTDLWVKVSO-UHFFFAOYSA-N 0 0 353.733 2.920 20 10 FFCDRN CCc1cc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)ccc1F ZINC000806885975 1004450781 /nfs/dbraw/zinc/45/07/81/1004450781.db2.gz KICRDRXZVKHDNY-NSHDSACASA-N 0 0 360.385 2.918 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1nc(C(C)C)cs1 ZINC000807102896 1004509239 /nfs/dbraw/zinc/50/92/39/1004509239.db2.gz IUUKMLLGDXJDHK-UHFFFAOYSA-N 0 0 374.510 2.574 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](C)C2(CCC2)C1 ZINC000807103667 1004509507 /nfs/dbraw/zinc/50/95/07/1004509507.db2.gz TZGVTCGXRGYVEO-INIZCTEOSA-N 0 0 357.498 2.716 20 10 FFCDRN CC[C@H]1CCCCCN1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807290162 1004548500 /nfs/dbraw/zinc/54/85/00/1004548500.db2.gz RPLVLWHPSWLRID-SFHVURJKSA-N 0 0 355.482 2.860 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccn(Cc3ccccc3)n2)c1O ZINC000807255361 1004549682 /nfs/dbraw/zinc/54/96/82/1004549682.db2.gz LCKNKBFWOJRITA-UHFFFAOYSA-N 0 0 366.421 2.645 20 10 FFCDRN Cc1cnc2ncc(C(=O)NCc3cc(Cl)c4cccnc4c3O)n2c1 ZINC001198395176 1004619486 /nfs/dbraw/zinc/61/94/86/1004619486.db2.gz ZKUORFILUGNRQK-UHFFFAOYSA-N 0 0 367.796 2.875 20 10 FFCDRN Cc1cc(Cl)nc(CNC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000807560015 1004634471 /nfs/dbraw/zinc/63/44/71/1004634471.db2.gz ZOZMNSQVFPMZRD-CYBMUJFWSA-N 0 0 374.872 2.603 20 10 FFCDRN COC(=O)c1cc(F)cc(C(=O)N2CCCc3cc(O)c(O)cc3C2)c1 ZINC001194127699 1004654163 /nfs/dbraw/zinc/65/41/63/1004654163.db2.gz VWPQVQSOIBMZQC-UHFFFAOYSA-N 0 0 359.353 2.612 20 10 FFCDRN C[C@@H](CN(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1nccs1 ZINC000807672364 1004657576 /nfs/dbraw/zinc/65/75/76/1004657576.db2.gz YCBVIFMOLDIFPK-KBPBESRZSA-N 0 0 374.510 2.648 20 10 FFCDRN C[C@H](NC(=O)C(=O)N[C@@H](c1cccnc1)C1CC1)c1ccc(N(C)C)cc1 ZINC000807677011 1004659560 /nfs/dbraw/zinc/65/95/60/1004659560.db2.gz KLCQCGOCFHIIBK-IFXJQAMLSA-N 0 0 366.465 2.592 20 10 FFCDRN O=C(c1ccc(N2CCOCC2)cc1F)N1CCc2cccc(O)c2C1 ZINC001194499300 1004747318 /nfs/dbraw/zinc/74/73/18/1004747318.db2.gz UHOIGZCDLQUIBG-UHFFFAOYSA-N 0 0 356.397 2.566 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc2c(cc1F)NC(=O)CC2 ZINC000808095448 1004751909 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NC(=O)N=Nc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C/C=C\Cl)cc1 ZINC001098480307 1020950052 /nfs/dbraw/zinc/95/00/52/1020950052.db2.gz ACZQQDDTVWKLNZ-FKSNMSANSA-N 0 0 361.833 2.937 20 10 FFCDRN Cc1csc(C[C@H]2CC[N@@H+](CC(=O)NCc3ccc(N(C)C)cc3)C2)n1 ZINC000933134101 1020960460 /nfs/dbraw/zinc/96/04/60/1020960460.db2.gz KQAFXISUXMVNCC-QGZVFWFLSA-N 0 0 372.538 2.698 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)[C@@H](F)Cc2ccccc2)cc1 ZINC000778194026 1021086017 /nfs/dbraw/zinc/08/60/17/1021086017.db2.gz ADVNWSCOZVWQLC-IBGZPJMESA-N 0 0 372.440 2.835 20 10 FFCDRN CCOC(=O)c1n[nH]cc1C=C1SC(=S)N(c2ccccc2)C1=O ZINC001116302039 1021159713 /nfs/dbraw/zinc/15/97/13/1021159713.db2.gz PTICCXSLODXMTK-XYOKQWHBSA-N 0 0 359.432 2.992 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccnn1C1CC1 ZINC000934514249 1021270759 /nfs/dbraw/zinc/27/07/59/1021270759.db2.gz OWAPWCDEGCHEJB-UHFFFAOYSA-N 0 0 373.432 2.640 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccnc(Cc2ccccc2)n1 ZINC001116539965 1021272358 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FFCDRN O=c1oc2cc([O-])cc(O[C@H]3CC[NH2+]C3)c2c2oc3cc(O)c(O)cc3c21 ZINC001218180083 1033036901 /nfs/dbraw/zinc/03/69/01/1033036901.db2.gz FTFSJVUVRGTUDI-VIFPVBQESA-N 0 0 369.329 2.550 20 10 FFCDRN COc1cccc(CNC(=O)c2cc(-c3ccc4c(c3)CCO4)no2)c1O ZINC000155449255 1022254754 /nfs/dbraw/zinc/25/47/54/1022254754.db2.gz DRWZJKOYBJLVMF-UHFFFAOYSA-N 0 0 366.373 2.921 20 10 FFCDRN Cc1noc(C)c1[C@@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000155934474 1022306781 /nfs/dbraw/zinc/30/67/81/1022306781.db2.gz QJMFFHYVQBYUJU-CQSZACIVSA-N 0 0 371.481 2.920 20 10 FFCDRN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC000115279536 1022320733 /nfs/dbraw/zinc/32/07/33/1022320733.db2.gz QOEYTYOETQLORA-FQEVSTJZSA-N 0 0 351.450 2.655 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000115825744 1022362070 /nfs/dbraw/zinc/36/20/70/1022362070.db2.gz VENTVSUFAGEBCS-LJQANCHMSA-N 0 0 366.465 2.666 20 10 FFCDRN O=C(CCc1cnn(-c2ccccc2)c1)NCCc1ccc(O)c(O)c1 ZINC000156633711 1022380196 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Cc1ccc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c(O)c1O ZINC000751533382 1022858476 /nfs/dbraw/zinc/85/84/76/1022858476.db2.gz NUCKASVMICXIQD-UHFFFAOYSA-N 0 0 357.410 2.866 20 10 FFCDRN CCOC(=O)c1sc(C(=O)OCC)c(O[C@@H]2CC[NH2+]CC2(C)C)c1[O-] ZINC001218311230 1033098927 /nfs/dbraw/zinc/09/89/27/1033098927.db2.gz HCWLUIFBDVEDTO-SNVBAGLBSA-N 0 0 371.455 2.574 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccccc1Cn1cncn1 ZINC000075159794 1023022930 /nfs/dbraw/zinc/02/29/30/1023022930.db2.gz QOKRVQWGGSPGEI-UHFFFAOYSA-N 0 0 362.433 2.841 20 10 FFCDRN O=C(COc1ccc([N+](=O)[O-])cc1)NCc1c(O)ccc2c1CCCC2 ZINC000075159727 1023023559 /nfs/dbraw/zinc/02/35/59/1023023559.db2.gz CIVNDYPUJPIKFV-UHFFFAOYSA-N 0 0 356.378 2.874 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCC(=O)N2C)c(C)n1-c1ccc(C)cc1 ZINC000752029617 1023028406 /nfs/dbraw/zinc/02/84/06/1023028406.db2.gz MDIVEOUQBNQUGA-SFHVURJKSA-N 0 0 368.433 2.749 20 10 FFCDRN Cc1ccccc1C[C@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000188176110 1023030706 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Cc1cc(C(=O)CN2CCO[C@@H]([C@H](C)O)C2)c(C)n1-c1ccc(C)cc1 ZINC000839670089 1026784635 /nfs/dbraw/zinc/78/46/35/1026784635.db2.gz DUHCYCFGDDTOSL-LAUBAEHRSA-N 0 0 356.466 2.667 20 10 FFCDRN Cc1cc(C(=O)CN2CCO[C@@H]([C@@H](C)O)C2)c(C)n1-c1cccc(C)c1 ZINC000839673010 1026787534 /nfs/dbraw/zinc/78/75/34/1026787534.db2.gz UOHHTQCBBMGLIM-DYESRHJHSA-N 0 0 356.466 2.667 20 10 FFCDRN C[C@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cnn(C)c1 ZINC000839676686 1026788791 /nfs/dbraw/zinc/78/87/91/1026788791.db2.gz YDWSRJVXJYTLMX-QAPCUYQASA-N 0 0 357.454 2.827 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H](C)NC(=O)c1ccco1 ZINC000839913040 1026863222 /nfs/dbraw/zinc/86/32/22/1026863222.db2.gz JACSPSNOAFMPOY-GJZGRUSLSA-N 0 0 357.454 2.520 20 10 FFCDRN CCC(=O)N1CCC[C@@H](C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000839916514 1026864233 /nfs/dbraw/zinc/86/42/33/1026864233.db2.gz UJXHHLMOTQYDNF-SJLPKXTDSA-N 0 0 359.514 2.757 20 10 FFCDRN COC(=O)c1cncc(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000839920076 1026866471 /nfs/dbraw/zinc/86/64/71/1026866471.db2.gz KJNHBKOSELUBMM-AWEZNQCLSA-N 0 0 355.438 2.604 20 10 FFCDRN Cc1nn2cccnc2c1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839919947 1026866723 /nfs/dbraw/zinc/86/67/23/1026866723.db2.gz XTRIQOCQEOKEHC-CQSZACIVSA-N 0 0 351.454 2.773 20 10 FFCDRN CO[C@@](C)([C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1)C1CC1 ZINC000840266176 1027025734 /nfs/dbraw/zinc/02/57/34/1027025734.db2.gz LXNSPKPEOXIYBS-YWZLYKJASA-N 0 0 361.486 2.526 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCC(=O)NC1CCCCC1 ZINC000840282032 1027032045 /nfs/dbraw/zinc/03/20/45/1027032045.db2.gz YYSPITOXAZNBTM-INIZCTEOSA-N 0 0 374.529 2.740 20 10 FFCDRN COC(=O)[C@]1(C)CCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840478782 1027088206 /nfs/dbraw/zinc/08/82/06/1027088206.db2.gz IQOLEWIKSWWBDV-FOIQADDNSA-N 0 0 361.486 2.587 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C[C@H]1CCC(=O)N1)C(C)C ZINC000840484049 1027090120 /nfs/dbraw/zinc/09/01/20/1027090120.db2.gz MJEXOUCNUJEKGJ-FUHWJXTLSA-N 0 0 374.529 2.691 20 10 FFCDRN COC(=O)c1cc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cn1C ZINC000840481845 1027090477 /nfs/dbraw/zinc/09/04/77/1027090477.db2.gz OPGRKULHENUJDS-AWEZNQCLSA-N 0 0 372.469 2.939 20 10 FFCDRN CCNS(=O)(=O)c1ccc(NCc2cc3ccccc3cc2O)nc1 ZINC001160206189 1027636507 /nfs/dbraw/zinc/63/65/07/1027636507.db2.gz GVPUASKODILDED-UHFFFAOYSA-N 0 0 357.435 2.851 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)N1CC[C@](C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000957141155 1027724208 /nfs/dbraw/zinc/72/42/08/1027724208.db2.gz CTFKXFVSTVJQET-PEELUZDISA-N 0 0 371.441 2.616 20 10 FFCDRN Cc1cc(C)c(CNc2ncccc2S(=O)(=O)N2CCCC2)c(O)c1 ZINC001160810205 1027885426 /nfs/dbraw/zinc/88/54/26/1027885426.db2.gz NBXUPGGVVNKKGH-UHFFFAOYSA-N 0 0 361.467 2.801 20 10 FFCDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC001162278791 1028488816 /nfs/dbraw/zinc/48/88/16/1028488816.db2.gz MTBXOFHOQRJZTP-LLVKDONJSA-N 0 0 360.435 2.853 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC001162607149 1028594179 /nfs/dbraw/zinc/59/41/79/1028594179.db2.gz JAQHKSHEUTZNRV-QGZVFWFLSA-N 0 0 365.364 2.889 20 10 FFCDRN O=C(Nc1cc(-c2ccccn2)no1)c1cc2cc(O)c(O)cc2oc1=O ZINC001155221451 1028630127 /nfs/dbraw/zinc/63/01/27/1028630127.db2.gz CVGYXIGYGFVZKS-UHFFFAOYSA-N 0 0 365.301 2.507 20 10 FFCDRN C[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3oc2=O)CCC1(F)F ZINC001155224740 1028633956 /nfs/dbraw/zinc/63/39/56/1028633956.db2.gz SZZQFRZIFCHFLH-VIFPVBQESA-N 0 0 353.321 2.712 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cncc(N2CCCC2)n1 ZINC001162801196 1028660858 /nfs/dbraw/zinc/66/08/58/1028660858.db2.gz VDBUOFYTNZTBOE-UHFFFAOYSA-N 0 0 365.481 2.997 20 10 FFCDRN CCO[C@@H]1C[C@](CO)(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000780619564 1028750153 /nfs/dbraw/zinc/75/01/53/1028750153.db2.gz ANKWGDGYDZNNFT-JNAXZKDPSA-N 0 0 363.502 2.679 20 10 FFCDRN CCN1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1=O ZINC001163352518 1028903516 /nfs/dbraw/zinc/90/35/16/1028903516.db2.gz GXMHQEWBQJZURV-AWEZNQCLSA-N 0 0 353.378 2.859 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H](c3ncon3)C2)c(C)n1-c1ccccn1 ZINC001156094270 1029043950 /nfs/dbraw/zinc/04/39/50/1029043950.db2.gz GWNGZHGMKKLXAQ-OAHLLOKOSA-N 0 0 351.410 2.892 20 10 FFCDRN Cc1nccn2c(C(=O)N(Cc3ccccc3)c3ccc(N)cc3)nnc12 ZINC001156413220 1029185541 /nfs/dbraw/zinc/18/55/41/1029185541.db2.gz LCKSVGVCKRNWEA-UHFFFAOYSA-N 0 0 358.405 2.862 20 10 FFCDRN COC(=O)C[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)c1cccc(OC)c1 ZINC000781429695 1029210850 /nfs/dbraw/zinc/21/08/50/1029210850.db2.gz YKFHOEPTFLPZAO-HXUWFJFHSA-N 0 0 373.405 2.623 20 10 FFCDRN CCC(=O)N[C@@H](CCSC)C(=O)NCc1c(O)ccc2ccccc21 ZINC001157041609 1029449407 /nfs/dbraw/zinc/44/94/07/1029449407.db2.gz KKADRKFXBJEWQZ-INIZCTEOSA-N 0 0 360.479 2.810 20 10 FFCDRN C[C@H](OC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O)c1cnccn1 ZINC000781987729 1029510673 /nfs/dbraw/zinc/51/06/73/1029510673.db2.gz ZXXWVTQKBDIFBE-NSHDSACASA-N 0 0 373.368 2.752 20 10 FFCDRN O=C(NC1CCCCC1)c1cccnc1NCCc1cc(O)c(O)cc1O ZINC001157240117 1029516773 /nfs/dbraw/zinc/51/67/73/1029516773.db2.gz PLDBFTKWKPIBQL-UHFFFAOYSA-N 0 0 371.437 2.916 20 10 FFCDRN Cc1cc2cc[nH]c2cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000782106948 1029573191 /nfs/dbraw/zinc/57/31/91/1029573191.db2.gz RNCJXKCZVJVFKJ-UHFFFAOYSA-N 0 0 350.422 2.797 20 10 FFCDRN COC(=O)c1cc(NCc2cc(Cl)c3cccnc3c2O)ncc1N ZINC001157723695 1029652346 /nfs/dbraw/zinc/65/23/46/1029652346.db2.gz ARDXUXLBMGMOKY-UHFFFAOYSA-N 0 0 358.785 2.970 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](CO)c2ccc(OC)cc2)c1 ZINC000840809505 1029886519 /nfs/dbraw/zinc/88/65/19/1029886519.db2.gz UCCOPOUEQWLLET-CJNGLKHVSA-N 0 0 359.422 2.614 20 10 FFCDRN O=C([O-])[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1=O ZINC000840998158 1029967790 /nfs/dbraw/zinc/96/77/90/1029967790.db2.gz OHALYZIFROCJRF-WBVHZDCISA-N 0 0 374.824 2.562 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc2c(c1)CCN2 ZINC000841012392 1029976041 /nfs/dbraw/zinc/97/60/41/1029976041.db2.gz FMWAFWIIUPGUCW-UHFFFAOYSA-N 0 0 366.465 2.708 20 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ZINC000841957437 1030558769 /nfs/dbraw/zinc/55/87/69/1030558769.db2.gz JXIZQZKUWJKNKO-HXUWFJFHSA-N 0 0 353.466 2.893 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CC(OCCCc3ccccc3)C2)cc1 ZINC000841958627 1030560510 /nfs/dbraw/zinc/56/05/10/1030560510.db2.gz GOXMZZPQODCHMR-UHFFFAOYSA-N 0 0 353.466 2.855 20 10 FFCDRN CC(C)COc1cccc(OCC(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000784300813 1030560332 /nfs/dbraw/zinc/56/03/32/1030560332.db2.gz SPKYKJQYBXVHPZ-UHFFFAOYSA-N 0 0 374.389 2.938 20 10 FFCDRN Cc1cc(N)cc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000842007837 1030577866 /nfs/dbraw/zinc/57/78/66/1030577866.db2.gz URKNYAHFHDCBCD-UHFFFAOYSA-N 0 0 368.481 2.755 20 10 FFCDRN COc1cc(C)nc(OC2CC[NH+](Cc3cc(F)c(F)cc3[O-])CC2)n1 ZINC001142530167 1030578527 /nfs/dbraw/zinc/57/85/27/1030578527.db2.gz AAMYLGVAPNRULW-UHFFFAOYSA-N 0 0 365.380 2.821 20 10 FFCDRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842160124 1030629309 /nfs/dbraw/zinc/62/93/09/1030629309.db2.gz DDZNXPBEHBNKCK-DJJJIMSYSA-N 0 0 369.440 2.506 20 10 FFCDRN C[C@@H]1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC12CCCCC2 ZINC000842234729 1030651290 /nfs/dbraw/zinc/65/12/90/1030651290.db2.gz AWVIXWJHCVYSKZ-MRXNPFEDSA-N 0 0 357.498 2.746 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)Nc2c(C)cccc2C)cc1 ZINC000784562365 1030684744 /nfs/dbraw/zinc/68/47/44/1030684744.db2.gz FHVUQZMPKPQFSS-UHFFFAOYSA-N 0 0 356.422 2.930 20 10 FFCDRN O=C(COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc(O)c(O)c1 ZINC000784581859 1030697488 /nfs/dbraw/zinc/69/74/88/1030697488.db2.gz JRWAOSPRJKXLRM-UHFFFAOYSA-N 0 0 367.260 2.524 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(-c2ccco2)on1 ZINC001142687193 1030725643 /nfs/dbraw/zinc/72/56/43/1030725643.db2.gz MLQURRBVOYTCJX-UHFFFAOYSA-N 0 0 370.361 2.846 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1 ZINC000784708317 1030768951 /nfs/dbraw/zinc/76/89/51/1030768951.db2.gz ZPDKAFUPLIACCK-UHFFFAOYSA-N 0 0 365.389 2.651 20 10 FFCDRN COCCOc1ccc(CC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001142728098 1030769540 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FFCDRN NC(=O)CSc1ccccc1C(=O)NCc1cc(Cl)ccc1O ZINC001300397769 1058171411 /nfs/dbraw/zinc/17/14/11/1058171411.db2.gz BDMDRTDZJVMSDU-UHFFFAOYSA-N 0 0 350.827 2.553 20 10 FFCDRN CC[C@@H](C)NC(=S)N1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001200478612 1058318078 /nfs/dbraw/zinc/31/80/78/1058318078.db2.gz LCCRIDZIRBHBSG-OAHLLOKOSA-N 0 0 351.516 2.507 20 10 FFCDRN O=C(NC1(C(=O)NCC2CC2)CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001444958510 1058350729 /nfs/dbraw/zinc/35/07/29/1058350729.db2.gz WLJUEBQPXLFAHN-UHFFFAOYSA-N 0 0 374.462 2.881 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC2(CC1)OCCc1ccsc12 ZINC001446851305 1058564485 /nfs/dbraw/zinc/56/44/85/1058564485.db2.gz XXKGJXXIZTZIAT-UHFFFAOYSA-N 0 0 359.447 2.792 20 10 FFCDRN COC(=O)c1ccc2c(c1)CCN(c1nnc(C3SC=CC3=O)n1C)C2 ZINC001519510831 1058793900 /nfs/dbraw/zinc/79/39/00/1058793900.db2.gz UDWOBHJBHCRICD-UHFFFAOYSA-N 0 0 370.434 2.599 20 10 FFCDRN COC(=O)c1cc(C)c(C(=O)NCc2cccc(Br)c2O)o1 ZINC001448964114 1058845723 /nfs/dbraw/zinc/84/57/23/1058845723.db2.gz 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CCc1ncc(Cl)c(C(=O)N(C)CCN(C)c2ccc(OC)cc2)n1 ZINC001461337406 1061293907 /nfs/dbraw/zinc/29/39/07/1061293907.db2.gz LUMFCEKUZYSDOK-UHFFFAOYSA-N 0 0 362.861 2.909 20 10 FFCDRN CSc1nnnn1-c1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC001476072367 1061344255 /nfs/dbraw/zinc/34/42/55/1061344255.db2.gz UCJHYXWTIVSUGW-LLVKDONJSA-N 0 0 370.438 2.973 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)/C=C\c2cncc(C)c2)c2ccc(F)cc2O1 ZINC001527135105 1061401608 /nfs/dbraw/zinc/40/16/08/1061401608.db2.gz HNCCQJCVMWRUQR-SVEBXFOSSA-N 0 0 356.353 2.510 20 10 FFCDRN C[C@@H](NC(=O)Nc1cccc(-n2cnc(N(C)C)n2)c1)c1ccccc1O ZINC001476451220 1061414103 /nfs/dbraw/zinc/41/41/03/1061414103.db2.gz NOWRLLUWMVYMRG-CYBMUJFWSA-N 0 0 366.425 2.922 20 10 FFCDRN COc1cc(C)c(CN2CCS(=O)(=O)C3(CCCCC3)C2)c(O)c1 ZINC001461882698 1061436002 /nfs/dbraw/zinc/43/60/02/1061436002.db2.gz PIWCBCZIOSIEOX-UHFFFAOYSA-N 0 0 353.484 2.643 20 10 FFCDRN Cc1nc(NC(=O)NCc2c(O)cccc2F)ccc1-c1cnn(C)c1 ZINC001476638651 1061447922 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CN1C(=O)COc2cccc(NC(=O)NCc3cccc(Cl)c3O)c21 ZINC001477031567 1061551937 /nfs/dbraw/zinc/55/19/37/1061551937.db2.gz UXEHCCYZKHPNSE-UHFFFAOYSA-N 0 0 361.785 2.723 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccccc1-n1nccn1 ZINC001477078370 1061570196 /nfs/dbraw/zinc/57/01/96/1061570196.db2.gz RUAJFHNJYGFKSC-UHFFFAOYSA-N 0 0 364.409 2.764 20 10 FFCDRN CNC(=O)c1c(C)[nH]nc1NCc1ccc(OCc2ccccc2)cc1O ZINC001462665161 1061716085 /nfs/dbraw/zinc/71/60/85/1061716085.db2.gz JLADJZOHRLOUHK-UHFFFAOYSA-N 0 0 366.421 2.974 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1c(Cl)ccnc1F ZINC001528611028 1061973791 /nfs/dbraw/zinc/97/37/91/1061973791.db2.gz NINOUSBECIGWQS-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN O=C(NCCCNC(=O)c1ccccc1)NCc1cccc(Cl)c1O ZINC001478435962 1062015026 /nfs/dbraw/zinc/01/50/26/1062015026.db2.gz VUDBMKNSBDQHOM-UHFFFAOYSA-N 0 0 361.829 2.665 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](C3CCCC3)C2)c1 ZINC001522828186 1062301041 /nfs/dbraw/zinc/30/10/41/1062301041.db2.gz YPXFWTOWPKIHGM-AWEZNQCLSA-N 0 0 366.483 2.806 20 10 FFCDRN CCN1CCC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1=O ZINC001479397636 1062344497 /nfs/dbraw/zinc/34/44/97/1062344497.db2.gz RXOPSBOWVMIJPR-SFHVURJKSA-N 0 0 360.502 2.684 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccnc(-n4cccc4)c3)C2)cc1 ZINC001531740204 1062865610 /nfs/dbraw/zinc/86/56/10/1062865610.db2.gz GDPXABUWJXUKHY-QGZVFWFLSA-N 0 0 362.433 2.890 20 10 FFCDRN Cc1cc(CC(=O)N[C@@H]2CC(=O)N(CC3CC3)C2)c(C)n1-c1ccccc1 ZINC001438856059 1063057551 /nfs/dbraw/zinc/05/75/51/1063057551.db2.gz TUNACWPYGLIKFE-LJQANCHMSA-N 0 0 365.477 2.764 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(Cc2ccco2)n1C[C@@H]1CCCO1 ZINC001525332450 1063254089 /nfs/dbraw/zinc/25/40/89/1063254089.db2.gz QOBIPRLLPFFRIS-KRWDZBQOSA-N 0 0 368.437 2.983 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3c4c[nH]nc4CC[C@@H]3C)CC2)cc1 ZINC001466210327 1063363074 /nfs/dbraw/zinc/36/30/74/1063363074.db2.gz FKIODFVRGOMSDJ-MGPUTAFESA-N 0 0 368.481 2.823 20 10 FFCDRN O=C(NC[C@]1(O)CCc2ccccc21)c1cc2cc(O)c(O)cc2s1 ZINC001466286614 1063381417 /nfs/dbraw/zinc/38/14/17/1063381417.db2.gz HPSCXMJHXLLFSZ-LJQANCHMSA-N 0 0 355.415 2.876 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCc1cccc(NC(=O)C2CCC2)c1 ZINC001441091316 1063395498 /nfs/dbraw/zinc/39/54/98/1063395498.db2.gz XNUFBWBUHOJJNJ-UHFFFAOYSA-N 0 0 354.406 2.695 20 10 FFCDRN COC(=O)c1ccc(NC(=O)NCc2c(O)ccc3c2CCCC3)cn1 ZINC001467111550 1063640519 /nfs/dbraw/zinc/64/05/19/1063640519.db2.gz AOHDKLKUDOPJJY-UHFFFAOYSA-N 0 0 355.394 2.774 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3c4c[nH]nc4ccc3C)C2)cc1 ZINC001470019394 1064244306 /nfs/dbraw/zinc/24/43/06/1064244306.db2.gz HCNIXOIPZITUQF-AWEZNQCLSA-N 0 0 350.422 2.889 20 10 FFCDRN C[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1)c1ccccc1O ZINC001471195539 1064597218 /nfs/dbraw/zinc/59/72/18/1064597218.db2.gz ZEHOEXRNLYQEGI-HOTGVXAUSA-N 0 0 371.456 2.919 20 10 FFCDRN Cc1nc[nH]c1CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC001546185314 1064601302 /nfs/dbraw/zinc/60/13/02/1064601302.db2.gz PWKYXDJOYNNJSK-UHFFFAOYSA-N 0 0 364.396 2.647 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCC[C@@H]3CC[C@@H]4C[C@@H]43)CC2)c(OC)c1 ZINC001471362113 1064655176 /nfs/dbraw/zinc/65/51/76/1064655176.db2.gz ZIOHYEGDZVSJAC-LZLYRXPVSA-N 0 0 373.497 2.972 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1CCO[C@](C)(C(=O)Oc2ccc(N)cc2)C1 ZINC001575213835 1078118121 /nfs/dbraw/zinc/11/81/21/1078118121.db2.gz BTSIRYNIQXHLMX-UGSOOPFHSA-N 0 0 350.415 2.637 20 10 FFCDRN Cc1nccc(NCc2cccc(C(=O)NCc3cccc(O)c3O)c2)n1 ZINC001471642237 1064743378 /nfs/dbraw/zinc/74/33/78/1064743378.db2.gz OXTKJDQWECGTEK-UHFFFAOYSA-N 0 0 364.405 2.738 20 10 FFCDRN CC(C)N(CCN(C)C(=O)OC(C)(C)C)C(=O)c1cccc(O)c1O ZINC001471949416 1064864634 /nfs/dbraw/zinc/86/46/34/1064864634.db2.gz PKQWNPPOPUDLAR-UHFFFAOYSA-N 0 0 352.431 2.815 20 10 FFCDRN COCCc1nnc(-c2cccc(C(=O)NCc3c(O)cccc3F)c2)o1 ZINC001471975653 1064876277 /nfs/dbraw/zinc/87/62/77/1064876277.db2.gz BOLRKTYHULEEJR-UHFFFAOYSA-N 0 0 371.368 2.700 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N(C)CCc2ncon2)ccc1C ZINC001472048976 1064907231 /nfs/dbraw/zinc/90/72/31/1064907231.db2.gz BNZIIYYFGSDOHS-UHFFFAOYSA-N 0 0 366.421 2.913 20 10 FFCDRN CS(=O)(=O)Cc1ccc(C(=O)NCc2cccc(Cl)c2O)cc1 ZINC001472316610 1065012485 /nfs/dbraw/zinc/01/24/85/1065012485.db2.gz ZEVFRKQWYOLRBF-UHFFFAOYSA-N 0 0 353.827 2.520 20 10 FFCDRN Cc1cc(C(=O)N2CCn3c(C)nnc3[C@@H]2C)c(C)n1-c1ccccn1 ZINC001472444787 1065064909 /nfs/dbraw/zinc/06/49/09/1065064909.db2.gz VRJFEFQAGZVVLG-AWEZNQCLSA-N 0 0 350.426 2.606 20 10 FFCDRN COC(=O)c1ccc(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)nc1 ZINC001472586788 1065104260 /nfs/dbraw/zinc/10/42/60/1065104260.db2.gz QFFNFNMUSRCMSX-UHFFFAOYSA-N 0 0 372.402 2.766 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001473574416 1065286787 /nfs/dbraw/zinc/28/67/87/1065286787.db2.gz XGKJVQASHWQUQG-HIFRSBDPSA-N 0 0 361.360 2.867 20 10 FFCDRN COC1CCN(CC[NH2+]Cc2cc(C)cc(Br)c2[O-])CC1 ZINC001474032680 1065443523 /nfs/dbraw/zinc/44/35/23/1065443523.db2.gz QUYMKYVATKWCSB-UHFFFAOYSA-N 0 0 357.292 2.664 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1csc(N)n1 ZINC001579590186 1078646835 /nfs/dbraw/zinc/64/68/35/1078646835.db2.gz VGMHEEWHEHJQBY-UHFFFAOYSA-N 0 0 354.435 2.875 20 10 FFCDRN COc1cc(NC(=O)N[C@H](C)c2ccccc2O)c(F)cc1-c1nn[nH]n1 ZINC001579933535 1078719487 /nfs/dbraw/zinc/71/94/87/1078719487.db2.gz GPEGCRJARFCXAE-SECBINFHSA-N 0 0 372.360 2.603 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC001581209581 1078939092 /nfs/dbraw/zinc/93/90/92/1078939092.db2.gz MDLGEYWMSYLQME-UHFFFAOYSA-N 0 0 372.816 2.534 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc2c(-c3nn[nH]n3)c[nH]c2c1 ZINC001582544725 1079060994 /nfs/dbraw/zinc/06/09/94/1079060994.db2.gz HRDZQZDUKLJIEW-UHFFFAOYSA-N 0 0 368.784 2.637 20 10 FFCDRN Cc1cc(CC(=O)N2CN(C)C(=O)[C@@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001583590641 1079237350 /nfs/dbraw/zinc/23/73/50/1079237350.db2.gz FHGCUPFKXHLUSC-AWEZNQCLSA-N 0 0 359.857 2.937 20 10 FFCDRN Cc1cc(CC(=O)NCCN2C[C@H](C)OC[C@H]2C)c(C)n1-c1ccccc1 ZINC001584192130 1079318965 /nfs/dbraw/zinc/31/89/65/1079318965.db2.gz XATRVZSDGMBHEE-MSOLQXFVSA-N 0 0 369.509 2.862 20 10 FFCDRN Cc1cc(CC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)c(C)n1-c1ccccc1 ZINC001584192133 1079319756 /nfs/dbraw/zinc/31/97/56/1079319756.db2.gz XATRVZSDGMBHEE-ZWKOTPCHSA-N 0 0 369.509 2.862 20 10 FFCDRN CC[S@](=O)CCn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001552457450 1075077019 /nfs/dbraw/zinc/07/70/19/1075077019.db2.gz TXVMMDDCTAPHBU-VWLOTQADSA-N 0 0 364.515 2.686 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(-c2ccccc2CC)nn1 ZINC001556516087 1075748905 /nfs/dbraw/zinc/74/89/05/1075748905.db2.gz ZIUQOHQNGHGYEF-UHFFFAOYSA-N 0 0 371.437 2.951 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1cccc(NC(=O)c2cccnc2)c1 ZINC001557084502 1075806159 /nfs/dbraw/zinc/80/61/59/1075806159.db2.gz BRWOPEDMMURAOK-UHFFFAOYSA-N 0 0 363.373 2.675 20 10 FFCDRN COc1cc(C(=O)NCc2ccc(O)cc2O)sc1Br ZINC001557084705 1075806166 /nfs/dbraw/zinc/80/61/66/1075806166.db2.gz LGXJTMAVMCYMHN-UHFFFAOYSA-N 0 0 358.213 2.860 20 10 FFCDRN CN(C)C(=O)Nc1cccc(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001557121973 1075810997 /nfs/dbraw/zinc/81/09/97/1075810997.db2.gz DRYGDYIIXXLZKD-UHFFFAOYSA-N 0 0 364.405 2.964 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1cc2cc[nH]c(=O)c2s1 ZINC001557123444 1075811284 /nfs/dbraw/zinc/81/12/84/1075811284.db2.gz OPCUKABSMFOWCB-UHFFFAOYSA-N 0 0 351.387 2.773 20 10 FFCDRN O=C(c1ccnc2c1CC(=O)N2)N1CCc2ccc(Br)cc21 ZINC001585666190 1079485450 /nfs/dbraw/zinc/48/54/50/1079485450.db2.gz OLXDGWGOKBQDCJ-UHFFFAOYSA-N 0 0 358.195 2.542 20 10 FFCDRN Cc1cc(CNC(=O)/C=C2\SCC(=O)N2C)c(C)n1-c1ccccc1 ZINC001557887566 1075906586 /nfs/dbraw/zinc/90/65/86/1075906586.db2.gz LVSIBERGOKXWAY-GRSHGNNSSA-N 0 0 355.463 2.757 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC001558205694 1075960500 /nfs/dbraw/zinc/96/05/00/1075960500.db2.gz XQEGVTDNHMZXFF-HNNXBMFYSA-N 0 0 360.801 2.836 20 10 FFCDRN CNC(=O)N[C@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001558309035 1075977233 /nfs/dbraw/zinc/97/72/33/1075977233.db2.gz BYMWUWCARYQOEY-KRWDZBQOSA-N 0 0 354.454 2.628 20 10 FFCDRN COC(=O)[C@]1(NC(=O)c2cccc(O)c2O)CC[C@@H](C)c2ccccc21 ZINC001558815339 1076081586 /nfs/dbraw/zinc/08/15/86/1076081586.db2.gz JMAFPOPVABSYBU-ODXCJYRJSA-N 0 0 355.390 2.793 20 10 FFCDRN CCCNC(=O)CN(CCC)c1ccc(/C=C\C(=O)OC)cc1[N+](=O)[O-] ZINC001559129117 1076128166 /nfs/dbraw/zinc/12/81/66/1076128166.db2.gz RIZYZHXVNMYMGV-CLFYSBASSA-N 0 0 363.414 2.524 20 10 FFCDRN COC(=O)c1cc(OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC001559456901 1076162114 /nfs/dbraw/zinc/16/21/14/1076162114.db2.gz RFYOANKVATYLBB-JKIFEVAISA-N 0 0 362.470 2.859 20 10 FFCDRN O=C(CN1CCC[C@H](F)C1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001560204967 1076246608 /nfs/dbraw/zinc/24/66/08/1076246608.db2.gz GNWAKKXDLVEGFF-ZDUSSCGKSA-N 0 0 366.392 2.834 20 10 FFCDRN CN1CCN(c2ccc(CNc3cnn(CC(F)(F)F)c3)cc2F)CC1 ZINC001560399985 1076270699 /nfs/dbraw/zinc/27/06/99/1076270699.db2.gz MAORUNLZASTPKV-UHFFFAOYSA-N 0 0 371.382 2.948 20 10 FFCDRN Cn1ccnc1[C@H](NCc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC001560625824 1076285338 /nfs/dbraw/zinc/28/53/38/1076285338.db2.gz PCMBFFDATUJHOS-HNNXBMFYSA-N 0 0 354.376 2.650 20 10 FFCDRN COc1cc(NC(=O)CN(C)Cc2cc(F)c(F)cc2O)cc(OC)c1 ZINC001560649971 1076288268 /nfs/dbraw/zinc/28/82/68/1076288268.db2.gz BLVAALVGZJVPOQ-UHFFFAOYSA-N 0 0 366.364 2.758 20 10 FFCDRN O=S(=O)(C[C@@H]1CCCC2(CCC2)O1)NCc1cccc(Cl)c1O ZINC001562008284 1076464734 /nfs/dbraw/zinc/46/47/34/1076464734.db2.gz NXNAGZKOVSTRRY-ZDUSSCGKSA-N 0 0 359.875 2.957 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NC(=O)NCc2cc(C)ccc2O)cc1 ZINC001562362150 1076490963 /nfs/dbraw/zinc/49/09/63/1076490963.db2.gz UCOVTWQEURPGDA-UHFFFAOYSA-N 0 0 363.439 2.784 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)Nc1ccnc2ccnn21 ZINC001563376945 1076547593 /nfs/dbraw/zinc/54/75/93/1076547593.db2.gz DIEAXRNWSDJDPM-UHFFFAOYSA-N 0 0 362.187 2.519 20 10 FFCDRN O=C(NCc1ccc(-n2ccnc2)nc1)NCc1cc(Cl)ccc1O ZINC001563578844 1076566885 /nfs/dbraw/zinc/56/68/85/1076566885.db2.gz FVKCFGYYQGJQMF-UHFFFAOYSA-N 0 0 357.801 2.626 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCCc2ccn(-c3ccccc3)n2)c1 ZINC001563884947 1076590917 /nfs/dbraw/zinc/59/09/17/1076590917.db2.gz IOMNUNPVWBIVLG-UHFFFAOYSA-N 0 0 350.422 2.928 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CC[C@@H]3CO)cc2Cl)C1 ZINC001564649767 1076650942 /nfs/dbraw/zinc/65/09/42/1076650942.db2.gz MQKCYLQSDWNHEN-DZGCQCFKSA-N 0 0 351.878 2.853 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC[C@H](CO)Cc1ccoc1 ZINC001564946865 1076672400 /nfs/dbraw/zinc/67/24/00/1076672400.db2.gz XJLBEQDESLDKBO-FUHWJXTLSA-N 0 0 373.497 2.735 20 10 FFCDRN CNc1cc(CNC(=O)NCc2cccc(Br)c2O)ccn1 ZINC001565484945 1076734966 /nfs/dbraw/zinc/73/49/66/1076734966.db2.gz LGBJKDFLYLYRHB-UHFFFAOYSA-N 0 0 365.231 2.591 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(-c3ccn(C)n3)on2)cc1F ZINC001565688149 1076753858 /nfs/dbraw/zinc/75/38/58/1076753858.db2.gz LQXLPTOTWJBBSC-UHFFFAOYSA-N 0 0 371.416 2.990 20 10 FFCDRN C[C@@H](c1ccccc1F)[C@H](O)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001566007939 1076842846 /nfs/dbraw/zinc/84/28/46/1076842846.db2.gz MOEICRMXAHOLNF-DJJJIMSYSA-N 0 0 358.413 2.782 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1c(Cl)cccc1S(C)(=O)=O ZINC001566303793 1076943852 /nfs/dbraw/zinc/94/38/52/1076943852.db2.gz DNZOSRRSPRMIEG-UHFFFAOYSA-N 0 0 353.827 2.721 20 10 FFCDRN COc1cccc(OC(F)(F)F)c1C(=O)NCCc1ccc(O)c(O)c1 ZINC001566370336 1076952324 /nfs/dbraw/zinc/95/23/24/1076952324.db2.gz WHQDINDXRPBOMK-UHFFFAOYSA-N 0 0 371.311 2.978 20 10 FFCDRN O=C(N[C@H](CO)C[C@@H](O)c1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001567252204 1077008496 /nfs/dbraw/zinc/00/84/96/1077008496.db2.gz CEOPLXQBWQULCQ-UONOGXRCSA-N 0 0 373.430 2.527 20 10 FFCDRN Cc1ccc(C2=NO[C@H](C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)C2)cc1 ZINC001567467180 1077030289 /nfs/dbraw/zinc/03/02/89/1077030289.db2.gz CYSHJKSSRRKNMQ-YJYMSZOUSA-N 0 0 354.406 2.647 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)[C@H]1OC ZINC001567888788 1077058512 /nfs/dbraw/zinc/05/85/12/1077058512.db2.gz UDHSAFYPJUVZTB-QKNQBKEWSA-N 0 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ZINC001589969255 1080910938 /nfs/dbraw/zinc/91/09/38/1080910938.db2.gz BUSJWJSBZDZWDB-GFCCVEGCSA-N 0 0 353.426 2.651 20 10 FFCDRN C[C@H](c1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C=Cc1ccc(O)c(O)c1 ZINC001590042329 1080966745 /nfs/dbraw/zinc/96/67/45/1080966745.db2.gz GKAIQATUFYYYBJ-YPUOHESYSA-N 0 0 365.393 2.511 20 10 FFCDRN O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1O ZINC001601660124 1126224484 /nfs/dbraw/zinc/22/44/84/1126224484.db2.gz OJQAQLNHBWOJNT-CQSZACIVSA-N 0 0 350.212 2.940 20 10 FFCDRN O=C(NCCSC(F)(F)F)NCc1ccc(N2CCOCC2)cc1 ZINC000054786902 506622950 /nfs/dbraw/zinc/62/29/50/506622950.db2.gz KDWFEFPBHCWPCN-UHFFFAOYSA-N 0 0 363.405 2.575 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])c(C)s3)CC2)cc1 ZINC000045117015 506919745 /nfs/dbraw/zinc/91/97/45/506919745.db2.gz QTFGWFATNMBQBB-UHFFFAOYSA-N 0 0 361.423 2.936 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCc3c(C)noc3C)CC2)cc1 ZINC000067762384 507000420 /nfs/dbraw/zinc/00/04/20/507000420.db2.gz NSEKHDDYNXNGGY-UHFFFAOYSA-N 0 0 358.442 2.722 20 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AENNWUGPWGGTAW-UHFFFAOYSA-N 0 0 353.466 2.618 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)c1ccc(F)cc1 ZINC000061963162 507647471 /nfs/dbraw/zinc/64/74/71/507647471.db2.gz RSGVSDVJCMKQAJ-IBGZPJMESA-N 0 0 357.429 2.959 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(C)c3ccccc32)cc1 ZINC000028495491 507728066 /nfs/dbraw/zinc/72/80/66/507728066.db2.gz PRFDMHOZUQWIKT-GOSISDBHSA-N 0 0 351.450 2.861 20 10 FFCDRN CO[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(C)(C)C ZINC000073149892 507899049 /nfs/dbraw/zinc/89/90/49/507899049.db2.gz GYBSKTUOZMQMMC-SFHVURJKSA-N 0 0 363.502 2.726 20 10 FFCDRN CC[C@@H](CSC)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000091622221 507996925 /nfs/dbraw/zinc/99/69/25/507996925.db2.gz RVYHDUIDHAKJQA-AWEZNQCLSA-N 0 0 355.479 2.603 20 10 FFCDRN CC[C@H](CSC)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000091622222 507997126 /nfs/dbraw/zinc/99/71/26/507997126.db2.gz RVYHDUIDHAKJQA-CQSZACIVSA-N 0 0 355.479 2.603 20 10 FFCDRN C[C@@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000074386237 508017963 /nfs/dbraw/zinc/01/79/63/508017963.db2.gz YJOKTQBUZBBZLH-BFHYXJOUSA-N 0 0 371.428 2.573 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cn(C)nc3C(C)(C)C)CC2)cc1F ZINC000092246374 508054524 /nfs/dbraw/zinc/05/45/24/508054524.db2.gz CVKZBCVKOWGLAE-UHFFFAOYSA-N 0 0 374.460 2.828 20 10 FFCDRN C[C@H](NC(=O)c1cccs1)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000075159729 508086984 /nfs/dbraw/zinc/08/69/84/508086984.db2.gz ZDJIKSVCCMDQLG-LBPRGKRZSA-N 0 0 358.463 2.767 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cccc(N3CCCNC3=O)c2)cc1F ZINC000081406927 508171883 /nfs/dbraw/zinc/17/18/83/508171883.db2.gz ZGMDMOGYQLSGNC-UHFFFAOYSA-N 0 0 370.428 2.741 20 10 FFCDRN CC1(CNC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)COC1 ZINC000112723882 508215463 /nfs/dbraw/zinc/21/54/63/508215463.db2.gz IJDGEQJAJNEUHN-UHFFFAOYSA-N 0 0 369.412 2.593 20 10 FFCDRN CCc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 ZINC000097681147 508228284 /nfs/dbraw/zinc/22/82/84/508228284.db2.gz XYKNSHYYPFFXOL-UHFFFAOYSA-N 0 0 358.463 2.736 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000077258274 508293182 /nfs/dbraw/zinc/29/31/82/508293182.db2.gz DJBIHJGUFYTLQQ-UHFFFAOYSA-N 0 0 351.406 2.610 20 10 FFCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)n(C)n1 ZINC000103413539 508310803 /nfs/dbraw/zinc/31/08/03/508310803.db2.gz DOPGPUGLMSDVBJ-UHFFFAOYSA-N 0 0 354.376 2.999 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)CC2)c(C)n1-c1cccc(Cl)c1 ZINC000104403153 508333993 /nfs/dbraw/zinc/33/39/93/508333993.db2.gz YDHJYKGDHYETJY-UHFFFAOYSA-N 0 0 366.870 2.618 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](c2ccccc2)N2CCSCC2)c1O ZINC000105650807 508379738 /nfs/dbraw/zinc/37/97/38/508379738.db2.gz LTEMZEGBHYKJJE-SFHVURJKSA-N 0 0 372.490 2.807 20 10 FFCDRN COc1ncc(/C=C/C(=O)N2CCCc3c(NC(C)=O)ccc(C)c32)cn1 ZINC000375559375 512394162 /nfs/dbraw/zinc/39/41/62/512394162.db2.gz VJPUDPIQEWCWIZ-VQHVLOKHSA-N 0 0 366.421 2.745 20 10 FFCDRN Cc1ccn2c(c1)nnc2NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000121882575 508439518 /nfs/dbraw/zinc/43/95/18/508439518.db2.gz IPGGHESFSMIFHN-QPJJXVBHSA-N 0 0 363.421 2.526 20 10 FFCDRN C[C@H](c1ccccc1)N1C[C@H](C(=O)NCCc2ccc(N)cc2)CC1=O ZINC000152478470 508454945 /nfs/dbraw/zinc/45/49/45/508454945.db2.gz NTMVCYHYLDQRFA-CRAIPNDOSA-N 0 0 351.450 2.537 20 10 FFCDRN COc1cccc([C@H](O)CNC(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000127915951 508520526 /nfs/dbraw/zinc/52/05/26/508520526.db2.gz DQRCVRDJZDUAFA-HXUWFJFHSA-N 0 0 367.449 2.604 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1N1CCCC1 ZINC000122361455 508522788 /nfs/dbraw/zinc/52/27/88/508522788.db2.gz HULDHSXXHFTSMO-UHFFFAOYSA-N 0 0 353.422 2.590 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cccc2c1CCCC2 ZINC000134612330 508551678 /nfs/dbraw/zinc/55/16/78/508551678.db2.gz SRDFBHWGNPPPMW-CYBMUJFWSA-N 0 0 368.433 2.663 20 10 FFCDRN CC(=O)c1cnc(NC(=O)C=Cc2ccc(N3CCOCC3)cc2)s1 ZINC000135450030 508606445 /nfs/dbraw/zinc/60/64/45/508606445.db2.gz WRLHDNXRPNFXTP-QPJJXVBHSA-N 0 0 357.435 2.834 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000153673308 508622706 /nfs/dbraw/zinc/62/27/06/508622706.db2.gz AKRYHLZJFFYKQN-MZPNWMSYSA-N 0 0 368.477 2.610 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccccc3F)CC2)cc1 ZINC000123470536 508691555 /nfs/dbraw/zinc/69/15/55/508691555.db2.gz GTCGYAALFBBYIW-UHFFFAOYSA-N 0 0 371.412 2.512 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@H]3CCO[C@H](C4CC4)C3)CC2)cc1 ZINC000129165007 508692984 /nfs/dbraw/zinc/69/29/84/508692984.db2.gz DFFWXIXVKNARAX-PXNSSMCTSA-N 0 0 373.497 2.875 20 10 FFCDRN CC(C)NC(=O)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000154664145 508829410 /nfs/dbraw/zinc/82/94/10/508829410.db2.gz UITWDAFEKKJMOE-UHFFFAOYSA-N 0 0 367.449 2.930 20 10 FFCDRN O=C(C[C@@H]1CSCCS1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000159368870 508831381 /nfs/dbraw/zinc/83/13/81/508831381.db2.gz PHJIOAJXUWCTTD-CQSZACIVSA-N 0 0 370.515 2.517 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc3c(c2)NC(=O)CCN3C)cc1 ZINC000155002042 508901942 /nfs/dbraw/zinc/90/19/42/508901942.db2.gz OCUINFLSOQZHGC-UHFFFAOYSA-N 0 0 366.465 2.803 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)c1nnc2ccccn21 ZINC000125171340 508942273 /nfs/dbraw/zinc/94/22/73/508942273.db2.gz LMQKOOUZAJDGFA-HNNXBMFYSA-N 0 0 362.437 2.666 20 10 FFCDRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(N)cc3)C2)cc1 ZINC000160384335 508979271 /nfs/dbraw/zinc/97/92/71/508979271.db2.gz RHZCFWVNDDDYKT-OAHLLOKOSA-N 0 0 373.478 2.617 20 10 FFCDRN COc1cc(N(C)CC(=O)N(C)Cc2ccccc2)cc(OC)c1OC ZINC000125691326 509017313 /nfs/dbraw/zinc/01/73/13/509017313.db2.gz LUQGFSGJFHVASR-UHFFFAOYSA-N 0 0 358.438 2.807 20 10 FFCDRN COCCC1(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CC1 ZINC000161120179 509074406 /nfs/dbraw/zinc/07/44/06/509074406.db2.gz AVAZDONTEHFNEM-KRWDZBQOSA-N 0 0 362.470 2.900 20 10 FFCDRN CCN(CCS(C)(=O)=O)C(=O)c1sccc1-n1c(C)ccc1C ZINC000151863243 509099704 /nfs/dbraw/zinc/09/97/04/509099704.db2.gz ANSVNIZYMJVCIL-UHFFFAOYSA-N 0 0 354.497 2.662 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@H]1CCOC1 ZINC000266789227 509194393 /nfs/dbraw/zinc/19/43/93/509194393.db2.gz 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ZINC000173201551 509451877 /nfs/dbraw/zinc/45/18/77/509451877.db2.gz AVBPTSXAZVLILT-OAHLLOKOSA-N 0 0 351.406 2.604 20 10 FFCDRN Cc1noc(C)c1CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000264352724 509475451 /nfs/dbraw/zinc/47/54/51/509475451.db2.gz CQLHDWZFVJMULZ-UHFFFAOYSA-N 0 0 372.469 2.512 20 10 FFCDRN C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267592944 509556811 /nfs/dbraw/zinc/55/68/11/509556811.db2.gz UZZAOLXLPHNYPD-GJZGRUSLSA-N 0 0 366.421 2.919 20 10 FFCDRN C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCCN1C(=O)c1ccccc1 ZINC000237503160 509664357 /nfs/dbraw/zinc/66/43/57/509664357.db2.gz KBJDMLTZWCMDTE-NRFANRHFSA-N 0 0 351.450 2.622 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)CCc1cccs1 ZINC000189679311 509698736 /nfs/dbraw/zinc/69/87/36/509698736.db2.gz QSJFKPZLBXUBHJ-UHFFFAOYSA-N 0 0 352.481 2.585 20 10 FFCDRN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000237666326 509705301 /nfs/dbraw/zinc/70/53/01/509705301.db2.gz BAVXLXLOGBAVPI-GOSISDBHSA-N 0 0 367.493 2.561 20 10 FFCDRN Nc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000264795769 509709958 /nfs/dbraw/zinc/70/99/58/509709958.db2.gz YFEWODUKQVHUKW-OAHLLOKOSA-N 0 0 371.393 2.704 20 10 FFCDRN COCCn1nc(C)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000183318397 509712908 /nfs/dbraw/zinc/71/29/08/509712908.db2.gz GBXDHGINKSGQRL-UHFFFAOYSA-N 0 0 373.457 2.643 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000170731846 509742860 /nfs/dbraw/zinc/74/28/60/509742860.db2.gz NTDFWSXXSVQCRT-UHFFFAOYSA-N 0 0 370.497 2.777 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193046819 509752256 /nfs/dbraw/zinc/75/22/56/509752256.db2.gz ABVYSIGQBSHQQD-UWVGGRQHSA-N 0 0 367.298 2.631 20 10 FFCDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000189916821 509828198 /nfs/dbraw/zinc/82/81/98/509828198.db2.gz QGLGSQJTNQSJCO-CQSZACIVSA-N 0 0 355.360 2.874 20 10 FFCDRN COC(=O)C=Cc1ccc(N2CCC[C@@H](c3nc(C)n[nH]3)C2)c([N+](=O)[O-])c1 ZINC000268385225 509901516 /nfs/dbraw/zinc/90/15/16/509901516.db2.gz KQHBRZWCAGHXPL-IZPAUZPXSA-N 0 0 371.397 2.592 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1ccccc1F ZINC000174062638 509928930 /nfs/dbraw/zinc/92/89/30/509928930.db2.gz BFVPXHSRMKEGRT-UHFFFAOYSA-N 0 0 350.415 2.621 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cc(F)c(F)cc1F ZINC000174062291 509929127 /nfs/dbraw/zinc/92/91/27/509929127.db2.gz QCQKTEPTNOLSDV-UHFFFAOYSA-N 0 0 372.368 2.758 20 10 FFCDRN COc1ccc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)cc1C ZINC000174064394 509931437 /nfs/dbraw/zinc/93/14/37/509931437.db2.gz IBLYRFUEOJOLCG-UHFFFAOYSA-N 0 0 362.451 2.657 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCOCC(F)(F)C(F)(F)F ZINC000190104678 509938818 /nfs/dbraw/zinc/93/88/18/509938818.db2.gz KFVIRQDEUNRVLI-SECBINFHSA-N 0 0 371.302 2.749 20 10 FFCDRN COC(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC000190122668 509949139 /nfs/dbraw/zinc/94/91/39/509949139.db2.gz GAPUYOLUCQAATO-QAPCUYQASA-N 0 0 359.470 2.627 20 10 FFCDRN COC(=O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@H]1C ZINC000190122704 509949397 /nfs/dbraw/zinc/94/93/97/509949397.db2.gz GAPUYOLUCQAATO-CRAIPNDOSA-N 0 0 359.470 2.627 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CC[C@@H]3CC[C@@H](C)O3)CC2)cc1F ZINC000177284539 509978047 /nfs/dbraw/zinc/97/80/47/509978047.db2.gz VYCXCVUCBGOCHW-ZBFHGGJFSA-N 0 0 350.434 2.831 20 10 FFCDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)c1cccc(O)c1O ZINC000187153340 510091249 /nfs/dbraw/zinc/09/12/49/510091249.db2.gz DSGOZTFSJARFBX-UHFFFAOYSA-N 0 0 355.438 2.872 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000180876753 510159854 /nfs/dbraw/zinc/15/98/54/510159854.db2.gz GRRJOIOEYZHUDN-HSTAZWAASA-N 0 0 351.402 2.812 20 10 FFCDRN CC1CCN(C(=O)C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)CC1 ZINC000180951635 510203479 /nfs/dbraw/zinc/20/34/79/510203479.db2.gz RXLVKIKGKBRGQT-HWKANZROSA-N 0 0 372.465 2.608 20 10 FFCDRN CCOC(=O)C1(O)CCN(C(=O)c2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000265750646 510209407 /nfs/dbraw/zinc/20/94/07/510209407.db2.gz JCQJNXNFCQRUCB-UHFFFAOYSA-N 0 0 370.449 2.624 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1csc(NC2CC2)n1 ZINC000265757398 510214411 /nfs/dbraw/zinc/21/44/11/510214411.db2.gz BKWQUCDXTGCCJJ-UHFFFAOYSA-N 0 0 372.494 2.826 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](C)c3cccs3)cc2)CC1 ZINC000190580645 510219536 /nfs/dbraw/zinc/21/95/36/510219536.db2.gz LNJGGKQPYSEMBS-HNNXBMFYSA-N 0 0 371.506 2.837 20 10 FFCDRN CC(C)(CCC(=O)NCc1ccccc1O)C(=O)NCc1ccccc1O ZINC000269114188 510242050 /nfs/dbraw/zinc/24/20/50/510242050.db2.gz CSGROZKZODFZAS-UHFFFAOYSA-N 0 0 370.449 2.837 20 10 FFCDRN Cc1cc(=O)c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c[nH]1 ZINC000174676187 510244362 /nfs/dbraw/zinc/24/43/62/510244362.db2.gz VOSTWYKXTYJGJD-GOSISDBHSA-N 0 0 369.465 2.571 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2ccc(O)c(O)c2)CC1 ZINC000269137112 510252838 /nfs/dbraw/zinc/25/28/38/510252838.db2.gz YDFLRHXHIGEEGE-UHFFFAOYSA-N 0 0 364.442 2.751 20 10 FFCDRN Cc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nc1 ZINC000184311921 510255135 /nfs/dbraw/zinc/25/51/35/510255135.db2.gz RHGXRYSTTWBSKL-UHFFFAOYSA-N 0 0 354.454 2.920 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](C3OCCO3)C2)cc1 ZINC000171646314 510274378 /nfs/dbraw/zinc/27/43/78/510274378.db2.gz HXGYPPDMVZJECM-KRWDZBQOSA-N 0 0 361.486 2.827 20 10 FFCDRN COc1cccc(CNC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)c1O ZINC000269218686 510296788 /nfs/dbraw/zinc/29/67/88/510296788.db2.gz ZBYAHTBZUHHDPP-CMDGGOBGSA-N 0 0 373.405 2.756 20 10 FFCDRN CN(Cc1ncc(Cl)n1C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000181196858 510297344 /nfs/dbraw/zinc/29/73/44/510297344.db2.gz JOQMANMGCBLGHK-UHFFFAOYSA-N 0 0 359.861 2.791 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCC[S@](=O)C(C)(C)C)C2CC2)cc1 ZINC000265960325 510325352 /nfs/dbraw/zinc/32/53/52/510325352.db2.gz KPRVJBRMGQSTNF-VWLOTQADSA-N 0 0 365.543 2.974 20 10 FFCDRN CCCCCS(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000184534991 510375657 /nfs/dbraw/zinc/37/56/57/510375657.db2.gz JWGWJQYQQDTPOQ-UHFFFAOYSA-N 0 0 354.516 2.505 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(OC)c(OC)cc3F)CC2)cc1 ZINC000178042151 510396791 /nfs/dbraw/zinc/39/67/91/510396791.db2.gz XBJBQSBWHINVEP-UHFFFAOYSA-N 0 0 374.412 2.814 20 10 FFCDRN CCc1ncc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000269561210 510461831 /nfs/dbraw/zinc/46/18/31/510461831.db2.gz UHXRUIZUFJCDED-UHFFFAOYSA-N 0 0 369.469 2.569 20 10 FFCDRN O=C1CC[C@H]2CN(S(=O)(=O)c3cccc4nsnc43)c3cccc1c32 ZINC000194804933 510536119 /nfs/dbraw/zinc/53/61/19/510536119.db2.gz CVRLTBGLWZESNN-JTQLQIEISA-N 0 0 371.443 2.960 20 10 FFCDRN O=C(CN1Cc2ccccc2C1=O)NCc1c(O)ccc2c1CCCC2 ZINC000266473279 510609345 /nfs/dbraw/zinc/60/93/45/510609345.db2.gz JQQUBIVKGRCMRK-UHFFFAOYSA-N 0 0 350.418 2.543 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3nc4c(s3)COCC4)CC2)cc1 ZINC000172264404 510638164 /nfs/dbraw/zinc/63/81/64/510638164.db2.gz JDWQKJJPEPEWEX-UHFFFAOYSA-N 0 0 374.466 2.579 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C[C@@](C)(O)C2CC2)cc1 ZINC000270097317 510674325 /nfs/dbraw/zinc/67/43/25/510674325.db2.gz PVBYRSWLNZWGNA-PZJWPPBQSA-N 0 0 360.498 2.811 20 10 FFCDRN COc1ccc(OC)c([C@H](C)NC(=O)NCc2cccc(OC)c2O)c1 ZINC000266640852 510705528 /nfs/dbraw/zinc/70/55/28/510705528.db2.gz BYFPCYRIXHTINR-LBPRGKRZSA-N 0 0 360.410 2.978 20 10 FFCDRN O=C(N[C@@H]1CCC[C@@H]1CCO)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000188373688 510734624 /nfs/dbraw/zinc/73/46/24/510734624.db2.gz HRGGWEXMNZNAHU-BPQIPLTHSA-N 0 0 362.470 2.634 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CCCc2cccnc21 ZINC000195347253 510795512 /nfs/dbraw/zinc/79/55/12/510795512.db2.gz OBBCERSRDUQGDD-FQEVSTJZSA-N 0 0 365.477 2.997 20 10 FFCDRN Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(Br)cc(F)c1[O-])CC2 ZINC000185317828 510803686 /nfs/dbraw/zinc/80/36/86/510803686.db2.gz CESANXCONMCAOL-LDYMZIIASA-N 0 0 369.238 2.859 20 10 FFCDRN CCOC(=O)[C@H](F)C1CN(C(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000297360045 510917102 /nfs/dbraw/zinc/91/71/02/510917102.db2.gz LLNKYMQMRBXXHJ-QGZVFWFLSA-N 0 0 365.449 2.575 20 10 FFCDRN Cc1nn(C)c(C)c1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000275919144 510920237 /nfs/dbraw/zinc/92/02/37/510920237.db2.gz XTUXKFJQHNJJKB-UHFFFAOYSA-N 0 0 369.469 2.781 20 10 FFCDRN CCc1nnc(CNC(=O)NCc2ccc(N3CCC(C)CC3)cc2)[nH]1 ZINC000297393905 510928334 /nfs/dbraw/zinc/92/83/34/510928334.db2.gz WNTBSHWRJRVCFD-UHFFFAOYSA-N 0 0 356.474 2.603 20 10 FFCDRN CN(C)c1cccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000276384503 510935050 /nfs/dbraw/zinc/93/50/50/510935050.db2.gz FBRNPSOXVNZJLZ-UHFFFAOYSA-N 0 0 367.493 2.838 20 10 FFCDRN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000277045221 510952186 /nfs/dbraw/zinc/95/21/86/510952186.db2.gz ICOKSGXSNSOSRL-HNNXBMFYSA-N 0 0 374.485 2.775 20 10 FFCDRN CC(=O)NCCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282378350 510952677 /nfs/dbraw/zinc/95/26/77/510952677.db2.gz BPMXGHKAOWJUIG-ZDUSSCGKSA-N 0 0 366.893 2.512 20 10 FFCDRN CCO[C@@H]1C[C@@]2(NC(=O)N(Cc3ccc(N4CCCC4)cc3)C2=O)C1(C)C ZINC000277249528 510956985 /nfs/dbraw/zinc/95/69/85/510956985.db2.gz HXKXDMGSWCMLLA-UTKZUKDTSA-N 0 0 371.481 2.912 20 10 FFCDRN COc1c(O)c(CNc2cccc(C(=O)NC3CC3)c2)ccc1[N+](=O)[O-] ZINC000278312327 510988025 /nfs/dbraw/zinc/98/80/25/510988025.db2.gz XBHZBZATNZQCKK-UHFFFAOYSA-N 0 0 357.366 2.813 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cnc(C)s1 ZINC000285656433 510996521 /nfs/dbraw/zinc/99/65/21/510996521.db2.gz WAGVPJRCEIYHCS-UHFFFAOYSA-N 0 0 361.467 2.602 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2ccc(N3CCCCC3)nc2)ccc1[N+](=O)[O-] ZINC000278891887 511013378 /nfs/dbraw/zinc/01/33/78/511013378.db2.gz PREIXUBTRWVZEW-UHFFFAOYSA-N 0 0 372.425 2.984 20 10 FFCDRN COCc1ncc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)s1 ZINC000285852022 511015376 /nfs/dbraw/zinc/01/53/76/511015376.db2.gz ULLVBVQQHBYWTN-AWEZNQCLSA-N 0 0 362.451 2.817 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3nnc(C)[nH]3)ccc21 ZINC000286361322 511023508 /nfs/dbraw/zinc/02/35/08/511023508.db2.gz MABDJQBSUIPHMM-LBPRGKRZSA-N 0 0 355.442 2.822 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)Cn1ncc2ccccc2c1=O ZINC000282565848 511028676 /nfs/dbraw/zinc/02/86/76/511028676.db2.gz URXXCOGDKKXWLP-UHFFFAOYSA-N 0 0 365.433 2.931 20 10 FFCDRN CC(C)[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)c1nncn1C ZINC000286663399 511030491 /nfs/dbraw/zinc/03/04/91/511030491.db2.gz PAUWWVZPBIPKTA-QGZVFWFLSA-N 0 0 356.474 2.612 20 10 FFCDRN CC[C@H]([NH2+]C[C@@H]1CCn2ncc(C(N)=O)c2C1)c1cccc(Cl)c1[O-] ZINC000286976136 511036749 /nfs/dbraw/zinc/03/67/49/511036749.db2.gz ITBCCSQVRSTMEG-ABAIWWIYSA-N 0 0 362.861 2.644 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000287019242 511038722 /nfs/dbraw/zinc/03/87/22/511038722.db2.gz GHSJGAGZDITXCL-UHFFFAOYSA-N 0 0 362.470 2.509 20 10 FFCDRN O=C(NCc1ccccc1O)Nc1cc(F)c(F)cc1N1CCOCC1 ZINC000287267809 511046132 /nfs/dbraw/zinc/04/61/32/511046132.db2.gz HHXWVQGTXDORGO-UHFFFAOYSA-N 0 0 363.364 2.829 20 10 FFCDRN COCCc1ccnc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000287485345 511050478 /nfs/dbraw/zinc/05/04/78/511050478.db2.gz XIUJVDYJFARFNI-UHFFFAOYSA-N 0 0 370.453 2.633 20 10 FFCDRN CCNC(=O)C[C@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287457058 511050519 /nfs/dbraw/zinc/05/05/19/511050519.db2.gz MZNOJHQTTVYVHK-LJQANCHMSA-N 0 0 370.497 2.653 20 10 FFCDRN CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cccc(Cl)c1[O-] ZINC000287592331 511053127 /nfs/dbraw/zinc/05/31/27/511053127.db2.gz ICUFSDJINLTEOV-BXUZGUMPSA-N 0 0 350.850 2.839 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCCC1(O)CCOCC1 ZINC000287660447 511054765 /nfs/dbraw/zinc/05/47/65/511054765.db2.gz ABJBFZDZWBLMRO-UHFFFAOYSA-N 0 0 350.459 2.636 20 10 FFCDRN C[C@@H]1C[C@H](NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1 ZINC000287941450 511060412 /nfs/dbraw/zinc/06/04/12/511060412.db2.gz HQKHGBSBUCKSJZ-NVXWUHKLSA-N 0 0 374.481 2.737 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H](C1CC1)C(F)(F)F ZINC000288399894 511074378 /nfs/dbraw/zinc/07/43/78/511074378.db2.gz HUOFMNKHGHTWDL-DLGAGEGBSA-N 0 0 354.372 2.994 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCO[C@H](C2CC2)C1 ZINC000288477437 511077621 /nfs/dbraw/zinc/07/76/21/511077621.db2.gz KZWPKKISNFIJLJ-HKUYNNGSSA-N 0 0 374.481 2.595 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cncnc1 ZINC000279428176 511079694 /nfs/dbraw/zinc/07/96/94/511079694.db2.gz MBKNEUZHGDCXLJ-UHFFFAOYSA-N 0 0 350.216 2.536 20 10 FFCDRN O=C(N[C@H]1CCCOCC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000288630035 511081533 /nfs/dbraw/zinc/08/15/33/511081533.db2.gz MJKWBOJZJHLKRT-KRWDZBQOSA-N 0 0 374.481 2.739 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCC=C(c3cccnc3)C2)cc1 ZINC000289354370 511099540 /nfs/dbraw/zinc/09/95/40/511099540.db2.gz NJDJETXHGVOFDY-UHFFFAOYSA-N 0 0 364.493 2.895 20 10 FFCDRN COC(=O)C[C@@H](C)CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000289833933 511116399 /nfs/dbraw/zinc/11/63/99/511116399.db2.gz SWHAMMCPUMOUFP-ZDUSSCGKSA-N 0 0 352.394 2.924 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)c1nccs1 ZINC000289875567 511118484 /nfs/dbraw/zinc/11/84/84/511118484.db2.gz XCHHZCGYGJZJGB-ZDUSSCGKSA-N 0 0 361.467 2.507 20 10 FFCDRN Cc1ccccc1[C@@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271204551 511120449 /nfs/dbraw/zinc/12/04/49/511120449.db2.gz JSRDOPLDMFYFIW-CYBMUJFWSA-N 0 0 362.451 2.905 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc3n(n2)CCO3)cc1 ZINC000290227411 511130005 /nfs/dbraw/zinc/13/00/05/511130005.db2.gz XKEDDHBDQPBXIK-UHFFFAOYSA-N 0 0 366.421 2.777 20 10 FFCDRN COCC[S@](=O)Cc1cccc(NC(=O)c2ccc(C)c(O)c2O)c1 ZINC000271264738 511142025 /nfs/dbraw/zinc/14/20/25/511142025.db2.gz KEVWVWJWPWZEGA-VWLOTQADSA-N 0 0 363.435 2.554 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCn4cncc4C3)cc2)CC1 ZINC000290823436 511151514 /nfs/dbraw/zinc/15/15/14/511151514.db2.gz ADQGLBDVFNXKOO-UHFFFAOYSA-N 0 0 353.470 2.845 20 10 FFCDRN COCc1nc(CNC(=O)NCc2ccc3c(c2)CCCN3C)cs1 ZINC000290872741 511152656 /nfs/dbraw/zinc/15/26/56/511152656.db2.gz DWDDIRQHOMFGLS-UHFFFAOYSA-N 0 0 360.483 2.671 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@H](O)c1ccccc1 ZINC000290890371 511152750 /nfs/dbraw/zinc/15/27/50/511152750.db2.gz BPQBJGKMDVRLFE-JXFKEZNVSA-N 0 0 351.450 2.984 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCCc1nccs1 ZINC000291196349 511161799 /nfs/dbraw/zinc/16/17/99/511161799.db2.gz TZQLMHQTIOVHEB-UHFFFAOYSA-N 0 0 365.842 2.899 20 10 FFCDRN C[C@@H]1C[C@@H](CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCO1 ZINC000271325686 511164087 /nfs/dbraw/zinc/16/40/87/511164087.db2.gz BNEKHGJFTDPURN-SOLBZPMBSA-N 0 0 362.470 2.898 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](C)S(=O)(=O)[C@H](C)C1 ZINC000291379479 511175255 /nfs/dbraw/zinc/17/52/55/511175255.db2.gz WTRAKZXBEUKYLG-ZIAGYGMSSA-N 0 0 366.508 2.803 20 10 FFCDRN CC(C)[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1 ZINC000271357078 511176106 /nfs/dbraw/zinc/17/61/06/511176106.db2.gz KMRUMOBYWACWPZ-OUXAZZEQSA-N 0 0 358.482 2.856 20 10 FFCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000294871691 511204951 /nfs/dbraw/zinc/20/49/51/511204951.db2.gz DWNAPSAQUFHFSV-MNOVXSKESA-N 0 0 368.405 2.612 20 10 FFCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)NCc2ccccc2F)s1 ZINC000294911363 511218809 /nfs/dbraw/zinc/21/88/09/511218809.db2.gz BKWCHHVYBFKDNI-VIFPVBQESA-N 0 0 354.428 2.866 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccccc1OC ZINC000283139105 511251474 /nfs/dbraw/zinc/25/14/74/511251474.db2.gz BIZSUVOQNHJSAV-UHFFFAOYSA-N 0 0 370.449 2.846 20 10 FFCDRN CC(C)n1cnnc1CN(C)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000291582292 511255531 /nfs/dbraw/zinc/25/55/31/511255531.db2.gz GIVHZAJWBFIIRT-UHFFFAOYSA-N 0 0 356.474 2.801 20 10 FFCDRN COCC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCOCC1 ZINC000291641259 511278446 /nfs/dbraw/zinc/27/84/46/511278446.db2.gz MNYOUQCIHHXETH-UHFFFAOYSA-N 0 0 361.486 2.529 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)N[C@H](C)c2ccccc2OC)s1 ZINC000295147111 511298742 /nfs/dbraw/zinc/29/87/42/511298742.db2.gz DUUVFUHJRUFDJJ-SNVBAGLBSA-N 0 0 366.464 2.908 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)N2CCc3sccc3C2)s1 ZINC000295157886 511303182 /nfs/dbraw/zinc/30/31/82/511303182.db2.gz GFCKMGVNNAVEHN-UHFFFAOYSA-N 0 0 354.478 2.668 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Cc1ccc(CNC(=O)C(=O)NCc2c(C)c3ccccc3n2C)s1 ZINC000550877528 516464439 /nfs/dbraw/zinc/46/44/39/516464439.db2.gz JZFMUGMMAYMZIL-UHFFFAOYSA-N 0 0 355.463 2.789 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)n1[C@@H]1CCOC1 ZINC000528997391 516851487 /nfs/dbraw/zinc/85/14/87/516851487.db2.gz VIZIRQZTZFLOPM-BLLLJJGKSA-N 0 0 358.438 2.839 20 10 FFCDRN C[C@]1(Br)C[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000529391066 517119848 /nfs/dbraw/zinc/11/98/48/517119848.db2.gz XHAKZGPOPSWKTM-SKDRFNHKSA-N 0 0 363.049 2.944 20 10 FFCDRN Cc1cc(Br)cc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000529679828 517280714 /nfs/dbraw/zinc/28/07/14/517280714.db2.gz QAZQVVDJNDEVEW-LAPQFRIASA-N 0 0 358.301 2.949 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H](C)Cc1ccsc1 ZINC000556658778 517546291 /nfs/dbraw/zinc/54/62/91/517546291.db2.gz XDDAILIDAVXOPO-CYBMUJFWSA-N 0 0 369.490 2.912 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](c4nnc[nH]4)C3)ccc21 ZINC000580640765 519278978 /nfs/dbraw/zinc/27/89/78/519278978.db2.gz YBWGIJLDASOTRX-MRXNPFEDSA-N 0 0 367.453 2.652 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccc[nH]c3=O)ccc21 ZINC000629424873 522210841 /nfs/dbraw/zinc/21/08/41/522210841.db2.gz ZUXUMJYRATYLSB-UHFFFAOYSA-N 0 0 353.422 2.935 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](OC)C[C@]3(C)CO)ccc21 ZINC000634062981 523164713 /nfs/dbraw/zinc/16/47/13/523164713.db2.gz IXPHNVZAOACEGK-DYESRHJHSA-N 0 0 374.481 2.516 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1c2ccccc2nnc1-c1nn[nH]n1 ZINC000737270663 598970093 /nfs/dbraw/zinc/97/00/93/598970093.db2.gz OFNWSDYPZUAZET-UHFFFAOYSA-N 0 0 360.425 2.796 20 10 FFCDRN Cc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000737271921 599146123 /nfs/dbraw/zinc/14/61/23/599146123.db2.gz ZAFZPOBLAOYXJO-UHFFFAOYSA-N 0 0 365.441 2.871 20 10 FFCDRN COc1ccc(N2CCC([NH2+][C@@H](Cc3ccccc3)C(=O)[O-])CC2)cc1 ZINC000820841524 598197231 /nfs/dbraw/zinc/19/72/31/598197231.db2.gz VONFMUYCXRQGRD-FQEVSTJZSA-N 0 0 354.450 2.950 20 10 FFCDRN O=C([O-])N1CCC[C@@H]1C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000740522031 602594720 /nfs/dbraw/zinc/59/47/20/602594720.db2.gz XQZKXXMDSXCBLW-OAHLLOKOSA-N 0 0 362.430 2.817 20 10 FFCDRN CC(C)[C@H](C[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NC(=O)[O-] ZINC000738794432 602792021 /nfs/dbraw/zinc/79/20/21/602792021.db2.gz QGLUQTJOYFBCCL-HNNXBMFYSA-N 0 0 364.446 2.967 20 10 FFCDRN CCN(CCC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC000827130275 604267221 /nfs/dbraw/zinc/26/72/21/604267221.db2.gz UXCPYBINAQKKEH-CQSZACIVSA-N 0 0 353.438 2.703 20 10 FFCDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000826249183 607711254 /nfs/dbraw/zinc/71/12/54/607711254.db2.gz PKBJDODMKCGOCS-UHFFFAOYSA-N 0 0 363.421 2.690 20 10 FFCDRN O=C([O-])N1CC[C@@H]([NH2+][C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000831947692 605857619 /nfs/dbraw/zinc/85/76/19/605857619.db2.gz JTKSCRTUZWXLBJ-QWHCGFSZSA-N 0 0 355.385 2.599 20 10 FFCDRN COc1ccc(N2CCC(Nc3nc(C)ccc3-c3nn[nH]n3)CC2)cc1 ZINC000821832098 607227745 /nfs/dbraw/zinc/22/77/45/607227745.db2.gz ZOKNLGRXMRLCCP-UHFFFAOYSA-N 0 0 365.441 2.660 20 10 FFCDRN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)Cc1c(O)cccc1Cl ZINC000826159282 608567442 /nfs/dbraw/zinc/56/74/42/608567442.db2.gz ZZAXUGXUPOOLIY-UHFFFAOYSA-N 0 0 373.844 2.874 20 10 FFCDRN Cc1ccc(-c2nn[nH]n2)cc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000826278905 609482412 /nfs/dbraw/zinc/48/24/12/609482412.db2.gz XXVXNSHNPIFRBS-UHFFFAOYSA-N 0 0 368.416 2.763 20 10 FFCDRN CCS(=O)(=O)CCN(C)Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000152455708 728758744 /nfs/dbraw/zinc/75/87/44/728758744.db2.gz NULZVNHQNYNISD-UHFFFAOYSA-N 0 0 351.468 2.884 20 10 FFCDRN CCOC(=O)c1cnc(C(=O)NCc2ccc(N(C)C)cc2)c(Cl)c1 ZINC000152469856 728759127 /nfs/dbraw/zinc/75/91/27/728759127.db2.gz WGTNBVXWEPPURJ-UHFFFAOYSA-N 0 0 361.829 2.908 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](C)[C@H](CO)SC)c2C)cc1 ZINC000152385703 728757405 /nfs/dbraw/zinc/75/74/05/728757405.db2.gz UAZXSLHZDLJFOT-UGSOOPFHSA-N 0 0 362.495 2.945 20 10 FFCDRN C[C@H](NC(=O)NCCCSc1nccs1)C(=O)N1CCCC[C@H]1C ZINC000153722075 728786564 /nfs/dbraw/zinc/78/65/64/728786564.db2.gz UUFCVYLWJMTZFL-OLZOCXBDSA-N 0 0 370.544 2.714 20 10 FFCDRN Cc1ccccc1[C@H](O)CNC(=O)NCCCSc1nccs1 ZINC000154595662 728807759 /nfs/dbraw/zinc/80/77/59/728807759.db2.gz CXMSRROMRBESPX-CQSZACIVSA-N 0 0 351.497 2.967 20 10 FFCDRN O=C(Cc1ccccc1Br)NCCc1ccc(O)c(O)c1 ZINC000156610959 728855039 /nfs/dbraw/zinc/85/50/39/728855039.db2.gz KSMDAJXFZNBBKM-UHFFFAOYSA-N 0 0 350.212 2.762 20 10 FFCDRN O=C(Cc1ccc(Br)s1)NCCc1ccc(O)c(O)c1 ZINC000156661109 728856385 /nfs/dbraw/zinc/85/63/85/728856385.db2.gz VQTJBWZTHWXYBD-UHFFFAOYSA-N 0 0 356.241 2.823 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCS1 ZINC000158220370 728884475 /nfs/dbraw/zinc/88/44/75/728884475.db2.gz REDWRDPKASOBIE-MRXNPFEDSA-N 0 0 351.541 2.935 20 10 FFCDRN CNC(=O)c1cncc(/C=C/C(=O)N2CCOc3c(Cl)cccc32)c1 ZINC000158624517 728891509 /nfs/dbraw/zinc/89/15/09/728891509.db2.gz JSXZWKUJQIGTIH-AATRIKPKSA-N 0 0 357.797 2.533 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H](C)S1 ZINC000743553125 735305496 /nfs/dbraw/zinc/30/54/96/735305496.db2.gz CYOXKSOTNAAHGE-ZIAGYGMSSA-N 0 0 367.490 2.698 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H](n2ccnn2)CC1 ZINC000898754089 735404390 /nfs/dbraw/zinc/40/43/90/735404390.db2.gz FGLGJZOYSJSYNP-GFCCVEGCSA-N 0 0 358.423 2.771 20 10 FFCDRN COCCOC[C@H](C)NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000745863817 735448202 /nfs/dbraw/zinc/44/82/02/735448202.db2.gz JDOYNVVYUPUVJL-INIZCTEOSA-N 0 0 351.491 2.724 20 10 FFCDRN O=C(NC[C@@H]1CCCN1CC(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000899130635 735450950 /nfs/dbraw/zinc/45/09/50/735450950.db2.gz HMASDKIBZZVJTG-JTQLQIEISA-N 0 0 356.394 2.772 20 10 FFCDRN COc1ccc(N2CCN([C@H](C)C(=O)NCc3cccs3)CC2)cc1 ZINC000008340593 727801968 /nfs/dbraw/zinc/80/19/68/727801968.db2.gz XHKHJNVBGMOPGX-OAHLLOKOSA-N 0 0 359.495 2.584 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(Br)s1 ZINC000026763725 727872009 /nfs/dbraw/zinc/87/20/09/727872009.db2.gz 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/nfs/dbraw/zinc/39/48/77/728394877.db2.gz XMBLKOZOUSASFL-CQSZACIVSA-N 0 0 354.397 2.800 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H](SC)C3)CC2)cc1F ZINC000084890995 728427255 /nfs/dbraw/zinc/42/72/55/728427255.db2.gz TZRNTUYLIAZFLB-UKRRQHHQSA-N 0 0 367.490 2.950 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N(CCCCO)C1CC1 ZINC000088496416 728436935 /nfs/dbraw/zinc/43/69/35/728436935.db2.gz BCYYKDYQFRCBFV-UHFFFAOYSA-N 0 0 363.527 2.686 20 10 FFCDRN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cccc(Br)c1[O-])CC2 ZINC000093613906 728476753 /nfs/dbraw/zinc/47/67/53/728476753.db2.gz CGAXNEPVHXVDBH-GJZGRUSLSA-N 0 0 370.287 2.907 20 10 FFCDRN O=C1NCCCN1C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000093669254 728477445 /nfs/dbraw/zinc/47/74/45/728477445.db2.gz LQCNULFASTXFRP-UHFFFAOYSA-N 0 0 368.275 2.534 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCC1(O)CCCCC1 ZINC000103606515 728497697 /nfs/dbraw/zinc/49/76/97/728497697.db2.gz AUFBOXMZHRBTEG-UHFFFAOYSA-N 0 0 363.527 2.734 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCCOC(C)C)CC2)cc1 ZINC000105638431 728507541 /nfs/dbraw/zinc/50/75/41/728507541.db2.gz OVUVBLROMVDXKV-UHFFFAOYSA-N 0 0 352.500 2.502 20 10 FFCDRN COC(=O)c1cccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c1 ZINC000111995520 728540402 /nfs/dbraw/zinc/54/04/02/728540402.db2.gz FICAINOWNVFTIM-UHFFFAOYSA-N 0 0 360.435 2.874 20 10 FFCDRN CC[C@H](C)[C@](C)(O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000112441802 728545320 /nfs/dbraw/zinc/54/53/20/728545320.db2.gz RTOBOMWBRLZFPZ-HNAYVOBHSA-N 0 0 365.543 2.836 20 10 FFCDRN C[C@@H](NC(=O)NCCc1cscn1)c1ccc(N2CCOCC2)cc1 ZINC000118994634 728586023 /nfs/dbraw/zinc/58/60/23/728586023.db2.gz BMSYNIDTGRBOQY-CQSZACIVSA-N 0 0 360.483 2.583 20 10 FFCDRN CCCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1OC ZINC000747148357 735538487 /nfs/dbraw/zinc/53/84/87/735538487.db2.gz WGLJKLFDQGBJOJ-VBKFSLOCSA-N 0 0 362.451 2.787 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)Cn1nc(CO)n(C)c1=S ZINC000120352338 728610015 /nfs/dbraw/zinc/61/00/15/728610015.db2.gz GMJKDTNNVCPZPK-UHFFFAOYSA-N 0 0 361.515 2.523 20 10 FFCDRN COc1ccc(N(C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)cc1F ZINC000121797669 728639149 /nfs/dbraw/zinc/63/91/49/728639149.db2.gz HUNMWBBPPHAEHE-AWEZNQCLSA-N 0 0 350.346 2.619 20 10 FFCDRN COc1ccc(C(=O)NCCc2ccc(O)c(O)c2)c(Br)c1 ZINC000122160397 728644592 /nfs/dbraw/zinc/64/45/92/728644592.db2.gz KYOXBZAVZNMOPV-UHFFFAOYSA-N 0 0 366.211 2.841 20 10 FFCDRN C[C@@H](O)C[C@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122418492 728647322 /nfs/dbraw/zinc/64/73/22/728647322.db2.gz GDJVVTDUMAOCKR-CRAIPNDOSA-N 0 0 363.527 2.685 20 10 FFCDRN COc1ccc(Br)cc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000122523306 728648320 /nfs/dbraw/zinc/64/83/20/728648320.db2.gz NVUBAWQSKYYINB-UHFFFAOYSA-N 0 0 366.211 2.841 20 10 FFCDRN CCNc1nc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000123512245 728659525 /nfs/dbraw/zinc/65/95/25/728659525.db2.gz OSEJOOGTUHDRRA-CYBMUJFWSA-N 0 0 360.483 2.903 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)CC(C)(C)S(C)(=O)=O)cc1 ZINC000131179587 728721664 /nfs/dbraw/zinc/72/16/64/728721664.db2.gz GOCBAERTMUHPBB-UHFFFAOYSA-N 0 0 362.495 2.989 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCN(c3cccs3)CC2)cc1F ZINC000131317037 728721976 /nfs/dbraw/zinc/72/19/76/728721976.db2.gz JEVSUAUMMZWQJA-UHFFFAOYSA-N 0 0 362.474 2.985 20 10 FFCDRN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1ccncc1F ZINC000134265545 728729273 /nfs/dbraw/zinc/72/92/73/728729273.db2.gz HDPCLCBBEWZFJN-CQSZACIVSA-N 0 0 363.820 2.974 20 10 FFCDRN CCc1nc(CN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000138889407 728740885 /nfs/dbraw/zinc/74/08/85/728740885.db2.gz NLVPALSLGLZBRO-UHFFFAOYSA-N 0 0 360.527 2.862 20 10 FFCDRN CCN(CCS(C)(=O)=O)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000151897760 728747183 /nfs/dbraw/zinc/74/71/83/728747183.db2.gz SXBUGUUZSRAVNJ-UHFFFAOYSA-N 0 0 362.495 2.909 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)Cc2cc(C#N)ccc2F)c1 ZINC000163367949 728956582 /nfs/dbraw/zinc/95/65/82/728956582.db2.gz YQXVOVIEOUSKEH-LLVKDONJSA-N 0 0 364.398 2.592 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)[C@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164348689 728965830 /nfs/dbraw/zinc/96/58/30/728965830.db2.gz MHJTXLXUBVDCFF-CHWSQXEVSA-N 0 0 355.500 2.706 20 10 FFCDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)NCCCSc1nccs1 ZINC000175891116 729103374 /nfs/dbraw/zinc/10/33/74/729103374.db2.gz OLOXTXOWFXGCSH-UHFFFAOYSA-N 0 0 363.468 2.752 20 10 FFCDRN Cc1cc(F)ccc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000177763754 729145887 /nfs/dbraw/zinc/14/58/87/729145887.db2.gz IOODOMYKWXMXAX-UHFFFAOYSA-N 0 0 353.444 2.828 20 10 FFCDRN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2[O-])C1 ZINC000179343183 729184408 /nfs/dbraw/zinc/18/44/08/729184408.db2.gz ZIPHSMUMVMSHJE-AWEZNQCLSA-N 0 0 367.287 2.893 20 10 FFCDRN Cc1ccc(C(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)c(O)c1O ZINC000179491050 729187393 /nfs/dbraw/zinc/18/73/93/729187393.db2.gz JCUDLJURNJWTIP-ZDUSSCGKSA-N 0 0 360.797 2.595 20 10 FFCDRN CC(C)(C)OC(=O)NC(C)(C)CCC(=O)NCc1ccc(O)c(O)c1 ZINC000778914867 738420553 /nfs/dbraw/zinc/42/05/53/738420553.db2.gz NFFLRMYVPSKWSO-UHFFFAOYSA-N 0 0 352.431 2.798 20 10 FFCDRN CC[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccccc3F)c2)CC1 ZINC000185157003 729343110 /nfs/dbraw/zinc/34/31/10/729343110.db2.gz ZEKKUHLVEPNLOX-UHFFFAOYSA-N 0 0 363.458 2.768 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)Cc2noc3ccccc32)cc1F ZINC000185739928 729355868 /nfs/dbraw/zinc/35/58/68/729355868.db2.gz HFJKVQAAOXFUMO-UHFFFAOYSA-N 0 0 363.414 2.653 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCC[C@@H]1CCO ZINC000190301373 729406928 /nfs/dbraw/zinc/40/69/28/729406928.db2.gz UJIKSRIDVKAUQG-AEFFLSMTSA-N 0 0 363.527 2.590 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)C[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000191374000 729416264 /nfs/dbraw/zinc/41/62/64/729416264.db2.gz BHFGFWBBIGSUFB-ZDUSSCGKSA-N 0 0 355.500 2.565 20 10 FFCDRN CCN(CC(N)=O)CC(=O)c1cc(C)n(-c2cccc(SC)c2)c1C ZINC000191713965 729419170 /nfs/dbraw/zinc/41/91/70/729419170.db2.gz CWWNDDQSZYXOHV-UHFFFAOYSA-N 0 0 359.495 2.806 20 10 FFCDRN OC[C@H]1CCCCN1c1cc(NCCCSc2nccs2)ncn1 ZINC000192311951 729423681 /nfs/dbraw/zinc/42/36/81/729423681.db2.gz WPGQVDQNMSWVBA-CYBMUJFWSA-N 0 0 365.528 2.879 20 10 FFCDRN CC(C)c1csc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)n1 ZINC000192824917 729460298 /nfs/dbraw/zinc/46/02/98/729460298.db2.gz UGOWCEBZFOWFFG-UHFFFAOYSA-N 0 0 364.446 2.727 20 10 FFCDRN O=C(NCC(F)(F)F)c1ccc(NC(=O)c2cccc(O)c2O)cc1 ZINC000192975412 729464795 /nfs/dbraw/zinc/46/47/95/729464795.db2.gz OGMLLSNRJGWFJJ-UHFFFAOYSA-N 0 0 354.284 2.642 20 10 FFCDRN CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778928808 738422000 /nfs/dbraw/zinc/42/20/00/738422000.db2.gz BYHCEVBLXAMATR-LLVKDONJSA-N 0 0 360.435 2.853 20 10 FFCDRN C[C@@H]1Cc2cc(S(=O)(=O)NCCc3ccc(N)cc3)cc(Cl)c2O1 ZINC000193337668 729475529 /nfs/dbraw/zinc/47/55/29/729475529.db2.gz HYVCQCOINFFNQV-LLVKDONJSA-N 0 0 366.870 2.767 20 10 FFCDRN CN1C(=O)Cc2cc(NC(=O)NCCCSc3nccs3)ccc21 ZINC000194094047 729499392 /nfs/dbraw/zinc/49/93/92/729499392.db2.gz PMJHMJRRMXSEDW-UHFFFAOYSA-N 0 0 362.480 2.966 20 10 FFCDRN O=C1NCCN(Cc2ccccc2O)[C@H]1c1ccccc1Br ZINC000779030314 738430826 /nfs/dbraw/zinc/43/08/26/738430826.db2.gz MHRHQAKMKKMMQJ-INIZCTEOSA-N 0 0 361.239 2.828 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1c(Cl)nc2sccn21 ZINC000314954107 729747528 /nfs/dbraw/zinc/74/75/28/729747528.db2.gz SYJVWSBWFCFDCO-UHFFFAOYSA-N 0 0 357.844 2.576 20 10 FFCDRN Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2ccccc2O)c1C ZINC000383981130 729835972 /nfs/dbraw/zinc/83/59/72/729835972.db2.gz SBIKMZKPIITLIY-UHFFFAOYSA-N 0 0 350.396 2.738 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000858128597 730417324 /nfs/dbraw/zinc/41/73/24/730417324.db2.gz VBAKTOHFBOHZAY-GDBMZVCRSA-N 0 0 353.260 2.517 20 10 FFCDRN CN(C)c1cc(F)c(CNCc2cccc(S(C)(=O)=O)c2)cc1F ZINC000858172757 730418693 /nfs/dbraw/zinc/41/86/93/730418693.db2.gz FGEPXNLWGUTSGW-UHFFFAOYSA-N 0 0 354.422 2.724 20 10 FFCDRN C[C@@H]1[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CCN1C(=O)OC(C)(C)C ZINC000858326948 730422752 /nfs/dbraw/zinc/42/27/52/730422752.db2.gz CGIGEXJBXBLIIB-RISCZKNCSA-N 0 0 351.403 2.788 20 10 FFCDRN C[C@H](NC(=O)NC[C@H]1CCCN1CC(F)F)c1ccc(N(C)C)cc1 ZINC000858369161 730424011 /nfs/dbraw/zinc/42/40/11/730424011.db2.gz RGOHJMCKRIJXPT-XJKSGUPXSA-N 0 0 354.445 2.842 20 10 FFCDRN CCn1nncc1C[NH2+][C@@H](C)c1cc(Br)cc(OC)c1O ZINC000858440589 730425759 /nfs/dbraw/zinc/42/57/59/730425759.db2.gz YVAXKWWCZVCFQO-VIFPVBQESA-N 0 0 355.236 2.626 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H](n1cccn1)C(F)(F)F ZINC000858675078 730431250 /nfs/dbraw/zinc/43/12/50/730431250.db2.gz LAOKPNAUYRUAAF-GFCCVEGCSA-N 0 0 362.739 2.845 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccns1 ZINC000858967150 730438421 /nfs/dbraw/zinc/43/84/21/730438421.db2.gz YQZHSNFYXMNQRS-CQSZACIVSA-N 0 0 360.483 2.882 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000859097729 730441795 /nfs/dbraw/zinc/44/17/95/730441795.db2.gz UDZHVSSEHMLJLM-DOTOQJQBSA-N 0 0 367.287 2.954 20 10 FFCDRN Cc1cc(CNS(=O)(=O)CCOC(C)C)c(C)n1-c1ccccc1 ZINC000859363147 730452056 /nfs/dbraw/zinc/45/20/56/730452056.db2.gz SLDCBVOCGGUVOR-UHFFFAOYSA-N 0 0 350.484 2.939 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@]2(O)CCSC2)c1 ZINC000859827151 730466779 /nfs/dbraw/zinc/46/67/79/730466779.db2.gz LVFJDGUXPHUHQD-LJQANCHMSA-N 0 0 358.463 2.504 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H]([C@@H](F)C(=O)NCc2ccccc2O)C1 ZINC000860234308 730492129 /nfs/dbraw/zinc/49/21/29/730492129.db2.gz RUIPKMNFYKGBLS-DZGCQCFKSA-N 0 0 352.406 2.604 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C(=O)N[C@@H](C2CCCC2)C(F)(F)F)c1 ZINC000862025312 730662301 /nfs/dbraw/zinc/66/23/01/730662301.db2.gz SGBZMJHWOVQHMB-AWEZNQCLSA-N 0 0 358.360 2.554 20 10 FFCDRN CN(C)c1cc(F)c(CN(C)[C@@H]2CCN(CC(F)(F)F)C2=O)cc1F ZINC000862245263 730680972 /nfs/dbraw/zinc/68/09/72/730680972.db2.gz LMPCRLIICDYAQA-CYBMUJFWSA-N 0 0 365.346 2.626 20 10 FFCDRN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862331721 730688758 /nfs/dbraw/zinc/68/87/58/730688758.db2.gz NIDFBCMKFCPTJE-KBPBESRZSA-N 0 0 356.413 2.573 20 10 FFCDRN CS(=O)(=O)c1ccc([C@H]2CN(Cc3cc(F)ccc3O)CCO2)cc1 ZINC000862437979 730702572 /nfs/dbraw/zinc/70/25/72/730702572.db2.gz KBKMMNFZLUNKQX-GOSISDBHSA-N 0 0 365.426 2.508 20 10 FFCDRN CC(C)(C)Oc1cccc(/C=C2\SC(=S)N(CC(N)=O)C2=O)c1 ZINC000864357031 730841232 /nfs/dbraw/zinc/84/12/32/730841232.db2.gz UKNYSCOTXQLCAW-WQLSENKSSA-N 0 0 350.465 2.550 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)CCCC(C)(F)F)C2)cc1 ZINC000917169619 737744582 /nfs/dbraw/zinc/74/45/82/737744582.db2.gz OQDZSBPYANZZHI-ZDUSSCGKSA-N 0 0 362.442 2.629 20 10 FFCDRN C[C@H](NS(=O)(=O)CCC(C)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000866606298 731079579 /nfs/dbraw/zinc/07/95/79/731079579.db2.gz UPDIRGWGKXVKLG-ZDUSSCGKSA-N 0 0 362.442 2.549 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1CC2(CSC2)C1 ZINC000867223540 731157385 /nfs/dbraw/zinc/15/73/85/731157385.db2.gz LWIQHENDVMDZDA-UHFFFAOYSA-N 0 0 369.870 2.690 20 10 FFCDRN O=S(=O)(NCc1ccc(O)cc1O)C1CCC(C(F)(F)F)CC1 ZINC000867416662 731182008 /nfs/dbraw/zinc/18/20/08/731182008.db2.gz FETSGJVHGHDNMI-UHFFFAOYSA-N 0 0 353.362 2.638 20 10 FFCDRN CCO[C@H]1COCC[C@@H]1CC(=O)NCc1cccc(Br)c1O ZINC000867831317 731231639 /nfs/dbraw/zinc/23/16/39/731231639.db2.gz UTDFYTXNCFWGIM-RISCZKNCSA-N 0 0 372.259 2.603 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)Cc3cccnc3Cl)C2)cc1 ZINC000868956634 731348628 /nfs/dbraw/zinc/34/86/28/731348628.db2.gz YGIKYGJSFNMPRK-AWEZNQCLSA-N 0 0 359.857 2.929 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCOC(F)(F)C(F)(F)F)c1 ZINC000873157743 731881862 /nfs/dbraw/zinc/88/18/62/731881862.db2.gz HSGHIKSPHWCQRT-MRVPVSSYSA-N 0 0 372.290 2.933 20 10 FFCDRN [NH3+]C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C(F)(F)F ZINC000873227503 731893639 /nfs/dbraw/zinc/89/36/39/731893639.db2.gz KTLFRKIQJIEDBY-SCZZXKLOSA-N 0 0 353.728 2.523 20 10 FFCDRN CC1(C)CCc2sc(NC(=O)C(=O)N3Cc4cccc(O)c4C3)nc21 ZINC000874100361 732010044 /nfs/dbraw/zinc/01/00/44/732010044.db2.gz MQBYGLQZUOYWHF-UHFFFAOYSA-N 0 0 357.435 2.553 20 10 FFCDRN CC[NH+](CC)Cc1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000780753000 738573659 /nfs/dbraw/zinc/57/36/59/738573659.db2.gz SYJBBTPDIYONLK-UHFFFAOYSA-N 0 0 360.439 2.865 20 10 FFCDRN CC[C@@]1(O)CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000875102621 732128414 /nfs/dbraw/zinc/12/84/14/732128414.db2.gz PGVDJMSRCZWVOI-LJQANCHMSA-N 0 0 363.527 2.686 20 10 FFCDRN O=C(N[C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)C1=CC(=O)CS1 ZINC000780812803 738578292 /nfs/dbraw/zinc/57/82/92/738578292.db2.gz GLNLQIXMWOURPO-LBPRGKRZSA-N 0 0 358.398 2.596 20 10 FFCDRN Nc1ncc(CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000876872768 732290173 /nfs/dbraw/zinc/29/01/73/732290173.db2.gz MJDCUGJWAPXUOT-CQSZACIVSA-N 0 0 361.467 2.571 20 10 FFCDRN CC(C)N(C)S(=O)(=O)c1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877080899 732322167 /nfs/dbraw/zinc/32/21/67/732322167.db2.gz RCKIGJDTGBLSNN-UHFFFAOYSA-N 0 0 361.467 2.574 20 10 FFCDRN COC(=O)[C@](C)(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(N)cc1 ZINC000877206754 732333916 /nfs/dbraw/zinc/33/39/16/732333916.db2.gz OUQQYXWNWJPIJN-IBGZPJMESA-N 0 0 360.841 2.755 20 10 FFCDRN COCc1nc(CN2CCN(c3ccc(OC)cc3OC)CC2)cs1 ZINC000877708918 732417639 /nfs/dbraw/zinc/41/76/39/732417639.db2.gz ZOMNMOFNGMQEJQ-UHFFFAOYSA-N 0 0 363.483 2.629 20 10 FFCDRN COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])c1 ZINC000877833764 732443777 /nfs/dbraw/zinc/44/37/77/732443777.db2.gz YBPAOANVSVETIW-BMLIUANNSA-N 0 0 353.365 2.899 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H]1CCNC(=O)c1cccc(O)c1O ZINC000781303563 738616178 /nfs/dbraw/zinc/61/61/78/738616178.db2.gz OBQBPVVNBOJXCK-GFCCVEGCSA-N 0 0 350.415 2.617 20 10 FFCDRN COc1cc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)on1 ZINC000926558858 738630241 /nfs/dbraw/zinc/63/02/41/738630241.db2.gz JZIYOJAGDTVEJZ-NSHDSACASA-N 0 0 353.369 2.649 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000781910349 738671497 /nfs/dbraw/zinc/67/14/97/738671497.db2.gz UPZNCTKCGAIAEC-CABCVRRESA-N 0 0 356.260 2.843 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1ccc2nnc(C(F)(F)F)n2n1 ZINC000782041071 738682899 /nfs/dbraw/zinc/68/28/99/738682899.db2.gz FQJXHRQYMFNWRH-QMMMGPOBSA-N 0 0 353.304 2.597 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCOC[C@@H]1CCOC1 ZINC000882991334 733319075 /nfs/dbraw/zinc/31/90/75/733319075.db2.gz WCZPTNHHSLMIPY-SNVBAGLBSA-N 0 0 364.667 2.951 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883079096 733328816 /nfs/dbraw/zinc/32/88/16/733328816.db2.gz JYLSLSMVMUBLTB-ZYHUDNBSSA-N 0 0 361.667 2.812 20 10 FFCDRN C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000883120995 733338209 /nfs/dbraw/zinc/33/82/09/733338209.db2.gz TXMMYGCEXQAQQI-UHFFFAOYSA-N 0 0 351.397 2.686 20 10 FFCDRN COC1([C@@H](C)[NH2+]Cc2cc(Br)cc(F)c2[O-])CCOCC1 ZINC000883148007 733342308 /nfs/dbraw/zinc/34/23/08/733342308.db2.gz QLBGLNUYBGFQNH-SNVBAGLBSA-N 0 0 362.239 2.968 20 10 FFCDRN COC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@H]1CCCOC1 ZINC000886357235 733776844 /nfs/dbraw/zinc/77/68/44/733776844.db2.gz CTKIKKRITIFLJK-SWLSCSKDSA-N 0 0 358.276 2.994 20 10 FFCDRN C[C@H]([NH2+][C@H](CO)C[C@H]1CCCO1)c1cc(Br)cc(F)c1[O-] ZINC000886669708 733814839 /nfs/dbraw/zinc/81/48/39/733814839.db2.gz CKLXNBMXFFQGSE-ZMLRMANQSA-N 0 0 362.239 2.874 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cn(C)nc2C(F)(F)F)cc1F ZINC000782802123 738755700 /nfs/dbraw/zinc/75/57/00/738755700.db2.gz JCAYLYWYPWJKMT-UHFFFAOYSA-N 0 0 359.327 2.966 20 10 FFCDRN CN(C(=O)C1=CC(=O)CS1)C1(CNC(=O)OC(C)(C)C)CCOCC1 ZINC000887569132 733953131 /nfs/dbraw/zinc/95/31/31/733953131.db2.gz IWMKRWIYQUZIOU-UHFFFAOYSA-N 0 0 370.471 2.600 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CC[C@@](CO)(C(F)(F)F)C1 ZINC000888565415 734072306 /nfs/dbraw/zinc/07/23/06/734072306.db2.gz ISZXOSPTSUZHCK-GFCCVEGCSA-N 0 0 369.434 2.582 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000890757726 734336346 /nfs/dbraw/zinc/33/63/46/734336346.db2.gz JMQPFMQZRNNWPE-AWEZNQCLSA-N 0 0 365.861 2.590 20 10 FFCDRN CN(CCCNC(=S)Nc1cccc(NC(N)=O)c1)c1ccccc1 ZINC000726462376 734427054 /nfs/dbraw/zinc/42/70/54/734427054.db2.gz KPRCUFZAGMWQBI-UHFFFAOYSA-N 0 0 357.483 2.990 20 10 FFCDRN COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)OC(C)(C)C)C2)c(O)c1OC ZINC000891576154 734447333 /nfs/dbraw/zinc/44/73/33/734447333.db2.gz KDIMITFNKPFTIH-CYBMUJFWSA-N 0 0 352.431 2.508 20 10 FFCDRN S=C(NCCc1cccnc1)NCc1ccc(N2CCSCC2)cc1 ZINC000727696727 734495699 /nfs/dbraw/zinc/49/56/99/734495699.db2.gz JUWSVICSJWJJIS-UHFFFAOYSA-N 0 0 372.563 2.842 20 10 FFCDRN CNC(=O)CCN(C)C(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000727864475 734504182 /nfs/dbraw/zinc/50/41/82/734504182.db2.gz OUBUCYWDWACYMT-UHFFFAOYSA-N 0 0 361.873 2.885 20 10 FFCDRN CSCC(C)(C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000892115759 734516936 /nfs/dbraw/zinc/51/69/36/734516936.db2.gz SLARQHCINPVDCB-UHFFFAOYSA-N 0 0 355.479 2.603 20 10 FFCDRN COc1ccc(CN(C)Cc2cn(C)nc2C(F)(F)F)c(O)c1OC ZINC000892237753 734531247 /nfs/dbraw/zinc/53/12/47/734531247.db2.gz PGMOYXVZQGRGBV-UHFFFAOYSA-N 0 0 359.348 2.794 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)COCC(F)(F)F)c1 ZINC000728950848 734551396 /nfs/dbraw/zinc/55/13/96/734551396.db2.gz 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COc1ccc(S(=O)(=O)NCc2cccc(OC)c2O)c(C)c1C ZINC000751306631 735862426 /nfs/dbraw/zinc/86/24/26/735862426.db2.gz UIMFDYZFVGDSAP-UHFFFAOYSA-N 0 0 351.424 2.505 20 10 FFCDRN O=C1N(CN2CCCc3cc(OC(F)F)ccc32)C[C@@]12CCCOC2 ZINC000902206257 735918113 /nfs/dbraw/zinc/91/81/13/735918113.db2.gz KYHBYVANZUWYCO-GOSISDBHSA-N 0 0 352.381 2.637 20 10 FFCDRN COC(=O)c1sccc1NC(=O)CN(C)c1ccc(OC)cc1OC ZINC000752123576 735958328 /nfs/dbraw/zinc/95/83/28/735958328.db2.gz SRQLBYXOWUVEEQ-UHFFFAOYSA-N 0 0 364.423 2.627 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1nccnc1Sc1ccccc1 ZINC000752602466 736000590 /nfs/dbraw/zinc/00/05/90/736000590.db2.gz YYIPSJBKHSPRHE-UHFFFAOYSA-N 0 0 353.403 2.969 20 10 FFCDRN O=C(NCCCSc1nccs1)c1nnc(-c2ccns2)o1 ZINC000902861670 736001098 /nfs/dbraw/zinc/00/10/98/736001098.db2.gz PJOYMLJRDMPEEZ-UHFFFAOYSA-N 0 0 353.454 2.562 20 10 FFCDRN CCCC(CCC)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000753473610 736070703 /nfs/dbraw/zinc/07/07/03/736070703.db2.gz FJGGMVQIKYEULQ-UHFFFAOYSA-N 0 0 366.527 2.754 20 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O=C(NCc1cccc(Br)c1O)c1ccnc(-n2ccnc2)c1 ZINC000765726022 737149486 /nfs/dbraw/zinc/14/94/86/737149486.db2.gz CJWGAEZIWOIINR-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN COCc1nc(C)c(C(=O)NCc2cccc(Br)c2O)s1 ZINC000765729539 737150250 /nfs/dbraw/zinc/15/02/50/737150250.db2.gz ODTXKUVSYNGZJD-UHFFFAOYSA-N 0 0 371.256 2.996 20 10 FFCDRN CC(=O)c1cc(C(=O)NCc2cccc(Br)c2O)n(C)c1 ZINC000765746378 737152561 /nfs/dbraw/zinc/15/25/61/737152561.db2.gz GCPGWQVQLYORRV-UHFFFAOYSA-N 0 0 351.200 2.626 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1n[nH]c2c1CCCC2 ZINC000765756875 737154670 /nfs/dbraw/zinc/15/46/70/737154670.db2.gz NRHIOEUIHBPSSA-UHFFFAOYSA-N 0 0 350.216 2.687 20 10 FFCDRN COc1ccc(O)c([C@H](C)Nc2ncc(I)cn2)c1 ZINC000766077084 737190818 /nfs/dbraw/zinc/19/08/18/737190818.db2.gz KVIMSDFBSZMCDA-QMMMGPOBSA-N 0 0 371.178 2.969 20 10 FFCDRN Cc1nc[nH]c1CC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000912109592 737266302 /nfs/dbraw/zinc/26/63/02/737266302.db2.gz HGTJLYWHKJYFMR-UHFFFAOYSA-N 0 0 354.376 2.918 20 10 FFCDRN OCc1ccnc(N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000767196955 737300569 /nfs/dbraw/zinc/30/05/69/737300569.db2.gz ZNUJOMJTRGLNJC-LBPRGKRZSA-N 0 0 350.369 2.651 20 10 FFCDRN Cc1csc(CCC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000767477502 737329602 /nfs/dbraw/zinc/32/96/02/737329602.db2.gz GKNIGQYNSZLEHX-UHFFFAOYSA-N 0 0 359.495 2.879 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1csc(-c2ncccc2F)n1 ZINC000768472137 737424930 /nfs/dbraw/zinc/42/49/30/737424930.db2.gz VOFRMUZDKMDXRO-UHFFFAOYSA-N 0 0 359.382 2.728 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1c(Br)cccc1Br ZINC000808547698 741234591 /nfs/dbraw/zinc/23/45/91/741234591.db2.gz CQMJLLQSWKOVGJ-UHFFFAOYSA-N 0 0 363.989 2.527 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c1[O-] ZINC000769381299 737522666 /nfs/dbraw/zinc/52/26/66/737522666.db2.gz NVIJECYTWBELHR-JOYOIKCWSA-N 0 0 354.712 2.841 20 10 FFCDRN COc1cc(Br)cc(CN2CC[S@](=O)[C@H](C)[C@H]2C)c1O ZINC000769465645 737532363 /nfs/dbraw/zinc/53/23/63/737532363.db2.gz HZIHVQMIJVLZEJ-ZLMDCXFVSA-N 0 0 362.289 2.505 20 10 FFCDRN COc1cccc(CNC(=O)C(F)(F)Oc2ccc(C=O)cc2)c1O ZINC000769504024 737536331 /nfs/dbraw/zinc/53/63/31/737536331.db2.gz UAHKPASJPSIPPU-UHFFFAOYSA-N 0 0 351.305 2.501 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000769556695 737541934 /nfs/dbraw/zinc/54/19/34/737541934.db2.gz QUIRQGWBDVLLAK-UHFFFAOYSA-N 0 0 356.260 2.926 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1csc(=O)[nH]1 ZINC000769711392 737556595 /nfs/dbraw/zinc/55/65/95/737556595.db2.gz PWBCBTLJWRSCIP-UHFFFAOYSA-N 0 0 357.229 2.979 20 10 FFCDRN Cc1cc(Br)ccc1S(=O)(=O)NCc1ccccc1O ZINC000770254694 737609408 /nfs/dbraw/zinc/60/94/08/737609408.db2.gz TYPFFCYLIZSFHN-UHFFFAOYSA-N 0 0 356.241 2.942 20 10 FFCDRN COC(=O)[C@H](COC(C)C)N(C)Cc1cc(Br)ccc1O ZINC000770356102 737618735 /nfs/dbraw/zinc/61/87/35/737618735.db2.gz SHUSHPRIIUQTIG-ZDUSSCGKSA-N 0 0 360.248 2.553 20 10 FFCDRN O=C(N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1)c1nccs1 ZINC000770628964 737647127 /nfs/dbraw/zinc/64/71/27/737647127.db2.gz IAGRZOWYRXYIQA-ZDUSSCGKSA-N 0 0 351.859 2.897 20 10 FFCDRN Cc1cc(C(=O)CN(C)CCO)c(C)n1-c1ccc(Br)cc1 ZINC000916644910 737717375 /nfs/dbraw/zinc/71/73/75/737717375.db2.gz BXMOTWYNWHOWRG-UHFFFAOYSA-N 0 0 365.271 2.963 20 10 FFCDRN CCCN(CCC)S(=O)(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000917927415 737784693 /nfs/dbraw/zinc/78/46/93/737784693.db2.gz YMRWXDWPTPKMRM-UHFFFAOYSA-N 0 0 369.531 2.574 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc[nH]c(=O)c2Br)c1 ZINC000772402274 737809233 /nfs/dbraw/zinc/80/92/33/737809233.db2.gz GQFAUHKUSDOCBG-QMMMGPOBSA-N 0 0 367.199 2.755 20 10 FFCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000772775757 737842056 /nfs/dbraw/zinc/84/20/56/737842056.db2.gz OFBRFCRCYYTXTH-KFEJWOFMSA-N 0 0 362.769 2.730 20 10 FFCDRN Cc1nc([C@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1 ZINC000772855281 737848615 /nfs/dbraw/zinc/84/86/15/737848615.db2.gz HRFVMILJGDBSLH-ZDUSSCGKSA-N 0 0 365.524 2.537 20 10 FFCDRN C[C@@H](NC(=O)c1csc(S(C)(=O)=O)c1)c1ccc(N(C)C)cc1 ZINC000772996435 737862188 /nfs/dbraw/zinc/86/21/88/737862188.db2.gz DXQZQJRWOLVNFO-LLVKDONJSA-N 0 0 352.481 2.709 20 10 FFCDRN C[C@H](NC(=O)c1ccc(CS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000773010422 737863546 /nfs/dbraw/zinc/86/35/46/737863546.db2.gz PNGKKPYNAXVICD-AWEZNQCLSA-N 0 0 360.479 2.788 20 10 FFCDRN Cc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1C ZINC000919812184 737878390 /nfs/dbraw/zinc/87/83/90/737878390.db2.gz NSTPDFDDRQKVKK-ZDUSSCGKSA-N 0 0 362.451 2.872 20 10 FFCDRN CS[C@H](C)CCC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000773272680 737887223 /nfs/dbraw/zinc/88/72/23/737887223.db2.gz WMIYHYYHPSHRRE-GDBMZVCRSA-N 0 0 363.527 2.536 20 10 FFCDRN Cc1ccc(Oc2ccccc2NC=C2C(=O)NC(=S)NC2=O)cc1 ZINC000920979054 737937540 /nfs/dbraw/zinc/93/75/40/737937540.db2.gz RXKVOBUZCPDYDP-UHFFFAOYSA-N 0 0 353.403 2.614 20 10 FFCDRN CCN(C)c1ccc(CN2CC[S@@](=O)C[C@@H]2c2cnn(CC)c2)cc1 ZINC000773888027 737942828 /nfs/dbraw/zinc/94/28/28/737942828.db2.gz KOFJXDUGVSURCD-KBMIEXCESA-N 0 0 360.527 2.665 20 10 FFCDRN C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000774240230 737972426 /nfs/dbraw/zinc/97/24/26/737972426.db2.gz UOBDDPHDHHSHEE-JTQLQIEISA-N 0 0 367.298 2.775 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCn2nc(C3CC3)cc2C1 ZINC000921447272 737985971 /nfs/dbraw/zinc/98/59/71/737985971.db2.gz DCTGCUNRTYYSPS-UHFFFAOYSA-N 0 0 363.512 2.925 20 10 FFCDRN CCOC1CC(O)(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000774488442 737993952 /nfs/dbraw/zinc/99/39/52/737993952.db2.gz PJAOJJQIKSAPSC-IWPPJYEWSA-N 0 0 362.239 2.874 20 10 FFCDRN Cc1cc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(C)c(C)c1O ZINC000775291173 738079697 /nfs/dbraw/zinc/07/96/97/738079697.db2.gz CMQUZYINCXKWJP-UHFFFAOYSA-N 0 0 369.464 2.522 20 10 FFCDRN C[C@@H](NC(=O)NCc1nc2c(s1)COCC2)c1ccc(N(C)C)cc1 ZINC000922055961 738084680 /nfs/dbraw/zinc/08/46/80/738084680.db2.gz UOIOSXWNUSEMKF-GFCCVEGCSA-N 0 0 360.483 2.842 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(O)(C(F)(F)F)CC1 ZINC000775434464 738092818 /nfs/dbraw/zinc/09/28/18/738092818.db2.gz HCEFFHUJZYBQKW-UHFFFAOYSA-N 0 0 359.392 2.660 20 10 FFCDRN CC[C@H](NCc1nnnn1CC1CC1)c1cc(Br)ccc1O ZINC000775555080 738101078 /nfs/dbraw/zinc/10/10/78/738101078.db2.gz RGTUZLXGJJNXKL-ZDUSSCGKSA-N 0 0 366.263 2.792 20 10 FFCDRN C[C@H](OC(=O)c1cccc(O)c1O)C(=O)Nc1ncc(Cl)cc1Cl ZINC000776281800 738177955 /nfs/dbraw/zinc/17/79/55/738177955.db2.gz KOUVUVYCTRJAIL-ZETCQYMHSA-N 0 0 371.176 2.984 20 10 FFCDRN C[C@@H](NC(=O)NCc1c(O)cccc1F)[C@H](C)NC(=O)OC(C)(C)C ZINC000922677559 738183214 /nfs/dbraw/zinc/18/32/14/738183214.db2.gz ADOFOWCGUDOPHR-MNOVXSKESA-N 0 0 355.410 2.632 20 10 FFCDRN CCCCO[C@H](C)C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000777825980 738323658 /nfs/dbraw/zinc/32/36/58/738323658.db2.gz CXPIICUVCCCSEX-GFCCVEGCSA-N 0 0 357.834 2.752 20 10 FFCDRN Cc1cccc(/C=C2/SC(N3CCOCC3)=NC2=O)c1OC(F)F ZINC000777915245 738330964 /nfs/dbraw/zinc/33/09/64/738330964.db2.gz 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ZINC000787832628 739175935 /nfs/dbraw/zinc/17/59/35/739175935.db2.gz JUKCCMYUCBWMPQ-WPTTZPOMSA-N 0 0 351.761 2.753 20 10 FFCDRN CC[S@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000787952239 739191038 /nfs/dbraw/zinc/19/10/38/739191038.db2.gz ZXBASGBIMYFYAM-VWLOTQADSA-N 0 0 365.426 2.728 20 10 FFCDRN COc1cccc(CNC(=O)Nc2c(C(F)(F)F)c(C)nn2C)c1O ZINC000931354426 739250337 /nfs/dbraw/zinc/25/03/37/739250337.db2.gz UJKNXMUKMYNQGM-UHFFFAOYSA-N 0 0 358.320 2.783 20 10 FFCDRN COc1ccc2nc(/C=C3\SC(N4CCOCC4)=NC3=O)sc2c1 ZINC000788732493 739277744 /nfs/dbraw/zinc/27/77/44/739277744.db2.gz NEOAJRUIWQTHRF-LCYFTJDESA-N 0 0 361.448 2.607 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccsc1 ZINC000788938579 739300255 /nfs/dbraw/zinc/30/02/55/739300255.db2.gz SRGMANGKKFOCMU-AWEZNQCLSA-N 0 0 357.479 2.842 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+]2CCC[C@@H]([C@@]3(C)COC(=O)N3)C2)c1[O-] ZINC000932023962 739375280 /nfs/dbraw/zinc/37/52/80/739375280.db2.gz FUBKPTQBJBWTRK-FZKQIMNGSA-N 0 0 366.845 2.959 20 10 FFCDRN O=C(NCCOc1cccc(Br)c1)c1c(F)ccc(O)c1O ZINC000789958143 739399594 /nfs/dbraw/zinc/39/95/94/739399594.db2.gz QVINJCDVGCKZKC-UHFFFAOYSA-N 0 0 370.174 2.808 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2c(C)n(C)c3ccccc32)c1O ZINC000790213536 739426297 /nfs/dbraw/zinc/42/62/97/739426297.db2.gz OPMSGYLDJOOZRT-UHFFFAOYSA-N 0 0 360.435 2.679 20 10 FFCDRN Cc1c(CO)cc([N+](=O)[O-])c(N2CCO[C@@H](C(C)(C)C)C2)c1[N+](=O)[O-] ZINC000790288008 739433496 /nfs/dbraw/zinc/43/34/96/739433496.db2.gz QRODVTXFZUBLPZ-CYBMUJFWSA-N 0 0 353.375 2.555 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C(F)(F)C1CCOCC1 ZINC000790356549 739442886 /nfs/dbraw/zinc/44/28/86/739442886.db2.gz RFCMGQIRLAWIED-UHFFFAOYSA-N 0 0 370.465 2.918 20 10 FFCDRN CCNC(=O)CCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 ZINC000790929946 739515231 /nfs/dbraw/zinc/51/52/31/739515231.db2.gz LHRZRWNGYAWMPT-UHFFFAOYSA-N 0 0 352.456 2.658 20 10 FFCDRN C[C@@]1(O)CCCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000792035602 739628778 /nfs/dbraw/zinc/62/87/78/739628778.db2.gz MQFMEXQQTXJIJL-LJQANCHMSA-N 0 0 363.527 2.686 20 10 FFCDRN CNS(=O)(=O)c1ccc2c(c1)N(Cc1cc(Cl)cc(C)c1O)CC2 ZINC000792177062 739647185 /nfs/dbraw/zinc/64/71/85/739647185.db2.gz QXXLBUCOTJGRTR-UHFFFAOYSA-N 0 0 366.870 2.825 20 10 FFCDRN C[C@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@H](C)S1=O ZINC000792193587 739649519 /nfs/dbraw/zinc/64/95/19/739649519.db2.gz YXCFMHXKHVJTCA-GJZGRUSLSA-N 0 0 365.499 2.926 20 10 FFCDRN Cc1ccc(C(=O)NCCCCn2cc(Br)cn2)c(O)c1O ZINC000792495102 739676449 /nfs/dbraw/zinc/67/64/49/739676449.db2.gz BBSCIXGPLONCJB-UHFFFAOYSA-N 0 0 368.231 2.575 20 10 FFCDRN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792829217 739711032 /nfs/dbraw/zinc/71/10/32/739711032.db2.gz PKMNNIOGQIHZHL-VXGBXAGGSA-N 0 0 364.433 2.779 20 10 FFCDRN CC1(C)CN(C(=O)NCCCSc2nccs2)C[C@@]2(CCOC2)O1 ZINC000793103416 739739340 /nfs/dbraw/zinc/73/93/40/739739340.db2.gz MLQSFECDYXBUMD-MRXNPFEDSA-N 0 0 371.528 2.605 20 10 FFCDRN C[C@H](Cc1ccsc1)NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000793793949 739814441 /nfs/dbraw/zinc/81/44/41/739814441.db2.gz VUAIBLRTZGXCDG-ZIAGYGMSSA-N 0 0 359.495 2.739 20 10 FFCDRN Cc1ccc([C@@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000793836920 739818837 /nfs/dbraw/zinc/81/88/37/739818837.db2.gz ACRJNTPVLHARKM-CQSZACIVSA-N 0 0 359.495 2.958 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F ZINC000934704756 739825616 /nfs/dbraw/zinc/82/56/16/739825616.db2.gz IFEFEGLKJFEVNM-LBPRGKRZSA-N 0 0 358.385 2.899 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1(n2cccn2)CC1 ZINC000934720478 739826743 /nfs/dbraw/zinc/82/67/43/739826743.db2.gz GBETVLYHQBHSIX-UHFFFAOYSA-N 0 0 364.243 2.889 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccnc(OC)n1 ZINC000934722226 739827238 /nfs/dbraw/zinc/82/72/38/739827238.db2.gz VIEFHDNCXFVONF-UHFFFAOYSA-N 0 0 366.215 2.616 20 10 FFCDRN Cc1ccc(Br)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)n1 ZINC000935312807 739930975 /nfs/dbraw/zinc/93/09/75/739930975.db2.gz ZFNQQEYPSCQHOH-SNVBAGLBSA-N 0 0 365.227 2.925 20 10 FFCDRN Cc1cc2c(cc1S(=O)(=O)NCCCSc1nccs1)OCO2 ZINC000795104981 739965381 /nfs/dbraw/zinc/96/53/81/739965381.db2.gz MXIGPOAUPHBHTC-UHFFFAOYSA-N 0 0 372.493 2.641 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2ccc(OC)c(C)c2C)c(O)c1 ZINC000795361626 740010178 /nfs/dbraw/zinc/01/01/78/740010178.db2.gz CULLFWPAEPJRPF-UHFFFAOYSA-N 0 0 351.424 2.505 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2cc(Cl)c(OC)cc2C)c(O)c1 ZINC000795363392 740010468 /nfs/dbraw/zinc/01/04/68/740010468.db2.gz WYSBNOLAXXYOSF-UHFFFAOYSA-N 0 0 371.842 2.850 20 10 FFCDRN Fc1cc(CNc2cnc(Br)cn2)ccc1N1CCOCC1 ZINC000795792362 740064366 /nfs/dbraw/zinc/06/43/66/740064366.db2.gz HMYGWKWGHUXRHK-UHFFFAOYSA-N 0 0 367.222 2.827 20 10 FFCDRN O=S(=O)(NCc1cc(Br)ccc1O)c1ccc(F)cc1 ZINC000796191425 740114272 /nfs/dbraw/zinc/11/42/72/740114272.db2.gz TYAUOODKLZZKRC-UHFFFAOYSA-N 0 0 360.204 2.772 20 10 FFCDRN C[C@@H]([NH2+]CCC1(O)CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000797033425 740205303 /nfs/dbraw/zinc/20/53/03/740205303.db2.gz VZGKVSZMZNZNHX-SNVBAGLBSA-N 0 0 362.239 2.876 20 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C[C@@H](CC(=O)NCc1ccc(N(C)C)cc1)n1cc(Br)cn1 ZINC000843519400 747847551 /nfs/dbraw/zinc/84/75/51/747847551.db2.gz DVOIOPUNLDGKBA-LBPRGKRZSA-N 0 0 365.275 2.979 20 10 FFCDRN COCCNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843748832 747888543 /nfs/dbraw/zinc/88/85/43/747888543.db2.gz ANOYBFIQEANNRA-UHFFFAOYSA-N 0 0 352.232 2.628 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cn2nc(C3CC3)n(C)c2=S)cc1 ZINC000844726851 748084251 /nfs/dbraw/zinc/08/42/51/748084251.db2.gz YMFNCDQAJUBOJA-UHFFFAOYSA-N 0 0 361.515 2.863 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000845031585 748164749 /nfs/dbraw/zinc/16/47/49/748164749.db2.gz KLINJYLNIJOBRU-ZDUSSCGKSA-N 0 0 364.808 2.658 20 10 FFCDRN CC(C)(C)OC(=O)NC/C=C\CNC(=O)NCc1cc(Cl)ccc1O ZINC000845202636 748204101 /nfs/dbraw/zinc/20/41/01/748204101.db2.gz YNPGDEALWUPPMQ-PLNGDYQASA-N 0 0 369.849 2.926 20 10 FFCDRN COC1(CS(=O)(=O)Oc2ccc3c(c2)c(C)c(C)n3C)CCOCC1 ZINC000845947075 748359748 /nfs/dbraw/zinc/35/97/48/748359748.db2.gz JUTNBUNSRPSOEY-UHFFFAOYSA-N 0 0 367.467 2.699 20 10 FFCDRN CCOc1cccc(CN[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c1O ZINC000846110011 748409001 /nfs/dbraw/zinc/40/90/01/748409001.db2.gz WFCIJLKKLDYJEZ-QRTARXTBSA-N 0 0 351.443 2.627 20 10 FFCDRN COc1cccc([C@@H](C)Nc2cccc3c2CCN3S(C)(=O)=O)c1O ZINC000846165004 748418618 /nfs/dbraw/zinc/41/86/18/748418618.db2.gz MIDLHYBVVGKHJP-GFCCVEGCSA-N 0 0 362.451 2.896 20 10 FFCDRN CCN1C[C@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1=O ZINC000846208825 748431133 /nfs/dbraw/zinc/43/11/33/748431133.db2.gz MEBXEQKSMAFUFC-UWVGGRQHSA-N 0 0 359.239 2.813 20 10 FFCDRN O=C([O-])c1cnn2c1[nH]c(C[NH+]1CCC(c3ccsc3)CC1)cc2=O ZINC000846252632 748441957 /nfs/dbraw/zinc/44/19/57/748441957.db2.gz SXNYQJFBLQYKSG-UHFFFAOYSA-N 0 0 358.423 2.574 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000846471919 748487079 /nfs/dbraw/zinc/48/70/79/748487079.db2.gz DNTSFOWBRGUHFW-ZDUSSCGKSA-N 0 0 350.846 2.843 20 10 FFCDRN CN(CC(=O)N1CCOC[C@H]1C1CC1)c1ccc(-c2nccs2)cc1 ZINC000846990705 748593725 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CO[C@H](CS(=O)(=O)NCCCSc1nccs1)C1CCCC1 ZINC000849375031 749119102 /nfs/dbraw/zinc/11/91/02/749119102.db2.gz MPCLXHDERZYGBJ-CYBMUJFWSA-N 0 0 364.558 2.750 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)CC3CCCCC3)C2)cc1 ZINC000849416196 749142726 /nfs/dbraw/zinc/14/27/26/749142726.db2.gz MAMVCMRTSUHSMK-INIZCTEOSA-N 0 0 352.500 2.774 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3cccc(C)c3F)C2)cc1 ZINC000849416580 749143235 /nfs/dbraw/zinc/14/32/35/749143235.db2.gz SLSPONREDBSMFG-AWEZNQCLSA-N 0 0 364.442 2.700 20 10 FFCDRN CCS(=O)(=O)N(C)c1ccc(NCc2cc3c(cc2O)OCO3)cc1 ZINC000850391764 749357887 /nfs/dbraw/zinc/35/78/87/749357887.db2.gz YLUSUPQKINWUJF-UHFFFAOYSA-N 0 0 364.423 2.519 20 10 FFCDRN CS[C@H]1CC[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000852153666 749788543 /nfs/dbraw/zinc/78/85/43/749788543.db2.gz WNLSZQGNPMGOBL-YJBOKZPZSA-N 0 0 363.527 2.731 20 10 FFCDRN COc1ccc2c(c1)C[C@H](C(C)C)CN2Cc1coc(S(N)(=O)=O)c1 ZINC000852187663 749797752 /nfs/dbraw/zinc/79/77/52/749797752.db2.gz 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COc1ccc(C[N@H+](CCO)Cc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000895711677 970873908 /nfs/dbraw/zinc/87/39/08/970873908.db2.gz UJMKHULWZQYMCH-UHFFFAOYSA-N 0 0 374.456 2.665 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cc4c(c([N+](=O)[O-])c3)OCO4)ccc21 ZINC000181155223 970895783 /nfs/dbraw/zinc/89/57/83/970895783.db2.gz SHRUTTNEYPDPRU-UHFFFAOYSA-N 0 0 369.377 2.636 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCN(C)CC(F)(F)F ZINC000840294017 970996446 /nfs/dbraw/zinc/99/64/46/970996446.db2.gz DUSYHEKUOBUVDG-AWEZNQCLSA-N 0 0 374.451 2.785 20 10 FFCDRN Fc1cc(CNc2ccnc3cccnc32)cc(F)c1N1CCOCC1 ZINC000840325655 971076483 /nfs/dbraw/zinc/07/64/83/971076483.db2.gz KOYSMPKIIQKWIL-UHFFFAOYSA-N 0 0 356.376 2.779 20 10 FFCDRN CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1c(O)cccc1Cl ZINC001275837806 1013060372 /nfs/dbraw/zinc/06/03/72/1013060372.db2.gz NNAXVYQYEURYFD-DJJJIMSYSA-N 0 0 364.873 2.980 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)Nc1ccnc(N2CCOCC2)n1 ZINC000840384557 971217194 /nfs/dbraw/zinc/21/71/94/971217194.db2.gz 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/nfs/dbraw/zinc/64/52/74/988645274.db2.gz AHQNGWCJKHHDCR-HNNXBMFYSA-N 0 0 357.406 2.865 20 10 FFCDRN COCCOCc1ccc(CNC(=O)NCc2c(O)cccc2F)cc1 ZINC000922550427 988685447 /nfs/dbraw/zinc/68/54/47/988685447.db2.gz FQJKDQWEVXHQMF-UHFFFAOYSA-N 0 0 362.401 2.694 20 10 FFCDRN COc1ccccc1N1CC[C@H](CNC(=O)NCc2c(O)cccc2F)C1 ZINC000915788807 988914046 /nfs/dbraw/zinc/91/40/46/988914046.db2.gz JKWKIDUHCYLAQX-CQSZACIVSA-N 0 0 373.428 2.866 20 10 FFCDRN C[C@H]1CN(c2ccc(C(=O)NCc3ccc(N(C)C)cc3)cn2)C[C@H](C)O1 ZINC000030018783 989383399 /nfs/dbraw/zinc/38/33/99/989383399.db2.gz SXNHAPKRYXPMLC-HOTGVXAUSA-N 0 0 368.481 2.691 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2Cc3ccccc3CN2C(C)=O)c1 ZINC000153890983 989759448 /nfs/dbraw/zinc/75/94/48/989759448.db2.gz FZIRQMVULJALDC-YJYMSZOUSA-N 0 0 368.433 2.551 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Cc2cnn(-c3ccccc3)n2)cc1 ZINC000916503268 989811216 /nfs/dbraw/zinc/81/12/16/989811216.db2.gz KWVIXYYRSCQNHC-UHFFFAOYSA-N 0 0 363.465 2.972 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Nc2ccc(-n3nccn3)nc2)cc1 ZINC000916684405 989900214 /nfs/dbraw/zinc/90/02/14/989900214.db2.gz JDAHZONGYZMYQQ-UHFFFAOYSA-N 0 0 365.441 2.830 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N(C)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000916984569 990085836 /nfs/dbraw/zinc/08/58/36/990085836.db2.gz IRBTWMGSEKTSNY-XLIONFOSSA-N 0 0 359.514 2.854 20 10 FFCDRN CC(C)c1cc(NCc2ccc(N3CCOCC3)c(F)c2)n2ncnc2n1 ZINC000917086272 990129554 /nfs/dbraw/zinc/12/95/54/990129554.db2.gz JLTOCIGDVYNILK-UHFFFAOYSA-N 0 0 370.432 2.836 20 10 FFCDRN O=C(c1ccc2c(c1)OCO2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000917361273 990205728 /nfs/dbraw/zinc/20/57/28/990205728.db2.gz BFJOQNQAFFOBOC-MRXNPFEDSA-N 0 0 355.390 2.942 20 10 FFCDRN CCc1c(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)cnn1C ZINC000917715711 990262211 /nfs/dbraw/zinc/26/22/11/990262211.db2.gz TWJJLXCOMVONDO-OKILXGFUSA-N 0 0 374.460 2.665 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCC(=O)NCc2ccccc2)cc1 ZINC000918214268 990357050 /nfs/dbraw/zinc/35/70/50/990357050.db2.gz BQDUWVZGRCACFL-UHFFFAOYSA-N 0 0 368.481 2.648 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC[C@@]2(c3ccccc3)CCCO2)c1 ZINC000918745601 990486632 /nfs/dbraw/zinc/48/66/32/990486632.db2.gz OUKMANKMDKBCTL-HXUWFJFHSA-N 0 0 356.422 2.906 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(OC)c(OC)c3C)CC2)cc1 ZINC000804152075 990582805 /nfs/dbraw/zinc/58/28/05/990582805.db2.gz BIJZULMQLLGINI-UHFFFAOYSA-N 0 0 370.449 2.983 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)Cc1cccc(=O)[nH]1 ZINC000922916492 990737157 /nfs/dbraw/zinc/73/71/57/990737157.db2.gz VKQVXVVNHPCOAN-HNNXBMFYSA-N 0 0 356.470 2.934 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCn4cccc4C3)C2)cc1 ZINC000922950512 990763087 /nfs/dbraw/zinc/76/30/87/990763087.db2.gz MJGPRNCFKDCPNA-MRXNPFEDSA-N 0 0 354.454 2.548 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(=O)[nH]c3cc(F)ccc32)c1 ZINC000155148499 990772499 /nfs/dbraw/zinc/77/24/99/990772499.db2.gz IHOCUZWAORNQED-JTQLQIEISA-N 0 0 356.353 2.872 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(CN(CC)c1cccc(C)c1)cc2=O ZINC000920087914 990791375 /nfs/dbraw/zinc/79/13/75/990791375.db2.gz PXGDTTUJIKPCED-UHFFFAOYSA-N 0 0 354.410 2.947 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(C(C)=O)c3)C2)cc1 ZINC000923094936 990852672 /nfs/dbraw/zinc/85/26/72/990852672.db2.gz MPLLITOLOOYOGX-GOSISDBHSA-N 0 0 367.449 2.976 20 10 FFCDRN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cccc(O)c1O ZINC000187101742 990901659 /nfs/dbraw/zinc/90/16/59/990901659.db2.gz NIRXUHDNLRVHFU-LLVKDONJSA-N 0 0 364.348 2.708 20 10 FFCDRN CCC/C(C)=C/C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000920695648 990906216 /nfs/dbraw/zinc/90/62/16/990906216.db2.gz HYOTXYIMAOKGCK-JQIJEIRASA-N 0 0 360.454 2.633 20 10 FFCDRN C[C@@H](NC(=O)c1ccc2[nH]c(=O)oc2c1)c1ccc(N2CCOCC2)cc1 ZINC000920881153 990931201 /nfs/dbraw/zinc/93/12/01/990931201.db2.gz AQDSSZBDANLCOY-CYBMUJFWSA-N 0 0 367.405 2.861 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](c3cnn(C)c3)C(C)C)C2)cc1 ZINC000923188078 990947319 /nfs/dbraw/zinc/94/73/19/990947319.db2.gz PFPSGWDOZALRIU-APWZRJJASA-N 0 0 371.485 2.704 20 10 FFCDRN COC[C@H]1C[C@@H](NC(=O)Cc2ccc(-n3c(C)cc(C=O)c3C)cc2)C1 ZINC000921346834 991042416 /nfs/dbraw/zinc/04/24/16/991042416.db2.gz RWYZJZPRPXZYMP-IZAXUBKRSA-N 0 0 354.450 2.990 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccnn1C1CCCC1 ZINC000175027830 991146540 /nfs/dbraw/zinc/14/65/40/991146540.db2.gz WWHOGNGOMLNNMD-UHFFFAOYSA-N 0 0 369.469 2.902 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000879653742 1015627242 /nfs/dbraw/zinc/62/72/42/1015627242.db2.gz VLOCUXUVQOTOBL-UONOGXRCSA-N 0 0 358.438 2.765 20 10 FFCDRN COc1cc(C(C)=O)ccc1OC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879653531 1015627373 /nfs/dbraw/zinc/62/73/73/1015627373.db2.gz RHJURPMYCOHJTO-BBRMVZONSA-N 0 0 359.422 2.694 20 10 FFCDRN C[C@H](NC(=O)N1C[C@@H](C)OC(C)(C)C1)c1ccc(N2CCOCC2)cc1 ZINC000068548800 991465387 /nfs/dbraw/zinc/46/53/87/991465387.db2.gz MGXDRRVUSHTWIL-CVEARBPZSA-N 0 0 361.486 2.793 20 10 FFCDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180666856 991533909 /nfs/dbraw/zinc/53/39/09/991533909.db2.gz VLENBWHBKLDMCI-PLWJUESGSA-N 0 0 368.433 2.956 20 10 FFCDRN CC(=O)c1cccc(OC[C@@H](O)CN2CCOc3cc(N(C)C)ccc32)c1 ZINC000181125400 991616906 /nfs/dbraw/zinc/61/69/06/991616906.db2.gz AVKSLLNCUKSRES-SFHVURJKSA-N 0 0 370.449 2.594 20 10 FFCDRN Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cnn1C ZINC000069638405 991832552 /nfs/dbraw/zinc/83/25/52/991832552.db2.gz OWDVAIQDPJDREJ-SFHVURJKSA-N 0 0 356.470 2.616 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccn(C)c(=O)c3)cc2)CC1 ZINC000879775469 1015674587 /nfs/dbraw/zinc/67/45/87/1015674587.db2.gz CAHHTAXLCAERCV-UHFFFAOYSA-N 0 0 354.454 2.943 20 10 FFCDRN CCc1noc(-c2ccc(CCNC(=O)c3ccc(C)c(O)c3O)cc2)n1 ZINC000182320042 992007457 /nfs/dbraw/zinc/00/74/57/992007457.db2.gz HMKWVBUILHESCB-UHFFFAOYSA-N 0 0 367.405 2.991 20 10 FFCDRN C/C(=C/C(=O)N1CC(=O)Nc2ccc(Br)cc21)c1cnccn1 ZINC001127705037 992323618 /nfs/dbraw/zinc/32/36/18/992323618.db2.gz HOWWQKKVVIRJCJ-POHAHGRESA-N 0 0 373.210 2.628 20 10 FFCDRN CCN(C)C(=O)c1cccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000183468750 992452212 /nfs/dbraw/zinc/45/22/12/992452212.db2.gz FGSUNJMPHALRPZ-CYBMUJFWSA-N 0 0 356.422 2.551 20 10 FFCDRN C[N@H+](CCOc1ccccc1C(=O)[O-])Cc1ccc(N2CCOCC2)cc1 ZINC000183931947 992620398 /nfs/dbraw/zinc/62/03/98/992620398.db2.gz KSTBGFSMEMYHPQ-UHFFFAOYSA-N 0 0 370.449 2.732 20 10 FFCDRN CC(C)C[C@@H]1C[C@H]1C(=O)NCCC1=CCN(c2ncnc3nc[nH]c32)CC1 ZINC001089864239 992653379 /nfs/dbraw/zinc/65/33/79/992653379.db2.gz VAPIGQIFSVDNAC-HZPDHXFCSA-N 0 0 368.485 2.678 20 10 FFCDRN Cc1nccc(N2CC=C(CCNC(=O)[C@@H]3C[C@H]3c3ccncc3)CC2)n1 ZINC001089867627 992687009 /nfs/dbraw/zinc/68/70/09/992687009.db2.gz QEYBURRLBUYLEO-RBUKOAKNSA-N 0 0 363.465 2.627 20 10 FFCDRN CCOc1cc(N2CC=C(CCNC(=O)C[C@@H]3C[C@H]3C3CC3)CC2)ncn1 ZINC001089875728 993155864 /nfs/dbraw/zinc/15/58/64/993155864.db2.gz ZDQFHIAGJDAMKL-ROUUACIJSA-N 0 0 370.497 2.954 20 10 FFCDRN C[NH+]1CCN(c2ccc(C=C(C(=O)[O-])c3ccc4cc[nH]c4n3)cc2)CC1 ZINC001598622610 994028501 /nfs/dbraw/zinc/02/85/01/994028501.db2.gz SZUGGTIPUREKER-JXAWBTAJSA-N 0 0 362.433 2.940 20 10 FFCDRN O=C(COCc1ccccn1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000808498863 994134544 /nfs/dbraw/zinc/13/45/44/994134544.db2.gz YKRVSYCIDXVKLI-UHFFFAOYSA-N 0 0 359.389 2.947 20 10 FFCDRN Cc1cc(=O)[nH]c2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)ccc12 ZINC000808658639 994205030 /nfs/dbraw/zinc/20/50/30/994205030.db2.gz HLFAKGZTHAKNDS-UHFFFAOYSA-N 0 0 353.330 2.700 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cncc(F)c1 ZINC000808695779 994234901 /nfs/dbraw/zinc/23/49/01/994234901.db2.gz JYMAIGHJOWDHEK-ZDUSSCGKSA-N 0 0 359.401 2.542 20 10 FFCDRN C[C@@H]1CCC[C@@H](CNC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000809238645 994459714 /nfs/dbraw/zinc/45/97/14/994459714.db2.gz MGQOCORRMGAEJP-RYRKJORJSA-N 0 0 359.514 2.900 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC000809682387 994579181 /nfs/dbraw/zinc/57/91/81/994579181.db2.gz NJDJFBPQMFTURY-RTBURBONSA-N 0 0 352.434 2.982 20 10 FFCDRN Cc1ccc(O)c(CN2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)c1 ZINC000809769134 994597485 /nfs/dbraw/zinc/59/74/85/994597485.db2.gz BNOOHTHFHXSTQN-RDJZCZTQSA-N 0 0 352.434 2.710 20 10 FFCDRN Cc1cc(CC(=O)NCCNC(=O)C2CC2)c(C)n1-c1ccc(Cl)cc1 ZINC000747572560 994618586 /nfs/dbraw/zinc/61/85/86/994618586.db2.gz CTCBKDFFQRSGQV-UHFFFAOYSA-N 0 0 373.884 2.932 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(OCC(F)F)ccn1)c1cc(C(=O)[O-])ccc1O ZINC001593291701 994670906 /nfs/dbraw/zinc/67/09/06/994670906.db2.gz BEULVGMTAKALQN-JTQLQIEISA-N 0 0 352.337 2.980 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(C(=O)[O-])co1 ZINC001593298501 994715443 /nfs/dbraw/zinc/71/54/43/994715443.db2.gz JXFMMHGAEWLGHN-UKRRQHHQSA-N 0 0 371.437 2.530 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@H]3CCn4c(C)ncc4C3)CC2)cc1 ZINC000810181983 994724672 /nfs/dbraw/zinc/72/46/72/994724672.db2.gz ZBDIASZMBYCGAK-KRWDZBQOSA-N 0 0 368.481 2.501 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)ccc1[N+](=O)[O-] ZINC000811512659 995172835 /nfs/dbraw/zinc/17/28/35/995172835.db2.gz IYZXRBRUQRWVQO-INIZCTEOSA-N 0 0 369.421 2.946 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccnc(N3CCC[C@H](C)C3)c2)c1 ZINC000812509333 995449073 /nfs/dbraw/zinc/44/90/73/995449073.db2.gz LZESJCSHTZUMPI-AWEZNQCLSA-N 0 0 355.438 2.962 20 10 FFCDRN CO[C@](C)(CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)C1CC1 ZINC000812878548 995558801 /nfs/dbraw/zinc/55/88/01/995558801.db2.gz CHIZWOSSEHGMQP-FOIQADDNSA-N 0 0 361.486 2.699 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NC[C@](C)(OC)C3CC3)CC2)cc1 ZINC000812924659 995578954 /nfs/dbraw/zinc/57/89/54/995578954.db2.gz OVHYINULSRLMKA-FQEVSTJZSA-N 0 0 361.486 2.778 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cnc(CC2CC2)s1 ZINC000880750779 1015964177 /nfs/dbraw/zinc/96/41/77/1015964177.db2.gz QEDSTBDEWVARJZ-UHFFFAOYSA-N 0 0 371.506 2.987 20 10 FFCDRN CC1(C)CO[C@@H](CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000880750297 1015964607 /nfs/dbraw/zinc/96/46/07/1015964607.db2.gz IZNALTFGNPPUDB-IBGZPJMESA-N 0 0 360.498 2.859 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCCC1 ZINC000803658853 1016035134 /nfs/dbraw/zinc/03/51/34/1016035134.db2.gz FMUBBXAETARTCX-QGZVFWFLSA-N 0 0 363.477 2.983 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@H]2CC(C)(C)C)cc1F ZINC000803664566 1016039355 /nfs/dbraw/zinc/03/93/55/1016039355.db2.gz OSGKZPBDSDHUDO-HNNXBMFYSA-N 0 0 363.477 2.935 20 10 FFCDRN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H]1c1ccccc1 ZINC000803664263 1016039957 /nfs/dbraw/zinc/03/99/57/1016039957.db2.gz IRAORQQFWZGNIU-KUHUBIRLSA-N 0 0 369.440 2.728 20 10 FFCDRN Cc1cc(C(=O)Cn2cc(C[C@@H](O)C3CC3)nn2)c(C)n1-c1ccccc1 ZINC000880981706 1016061572 /nfs/dbraw/zinc/06/15/72/1016061572.db2.gz AYVWAOFRFYBEAN-HXUWFJFHSA-N 0 0 364.449 2.882 20 10 FFCDRN Cc1cc(C(=O)Cn2cc(CCCO)nn2)c(C)n1-c1ccc(F)cc1 ZINC000880982815 1016062782 /nfs/dbraw/zinc/06/27/82/1016062782.db2.gz QSJKHJMYAJVSNP-UHFFFAOYSA-N 0 0 356.401 2.633 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc([N+](=O)[O-])ccc3F)C2)cc1 ZINC000824017304 996782528 /nfs/dbraw/zinc/78/25/28/996782528.db2.gz JQDNOGPMBXHVDK-ZDUSSCGKSA-N 0 0 373.384 2.999 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Nc3cccc(OC)n3)CC2)cc1 ZINC000824166019 996823295 /nfs/dbraw/zinc/82/32/95/996823295.db2.gz HBCZMFOWAHJXJA-UHFFFAOYSA-N 0 0 356.426 2.843 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N[C@H]2CCCC[C@@H]12 ZINC000824234917 996848357 /nfs/dbraw/zinc/84/83/57/996848357.db2.gz WYXWEDGUFUBCFU-OTWHNJEPSA-N 0 0 357.498 2.796 20 10 FFCDRN CN(c1ccc(CNC(=O)c2ccn3nnnc3c2)cc1)C1CCCCC1 ZINC000824250915 996863311 /nfs/dbraw/zinc/86/33/11/996863311.db2.gz IZQICHFPPXJKEX-UHFFFAOYSA-N 0 0 364.453 2.823 20 10 FFCDRN O=C(C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000730110944 996867871 /nfs/dbraw/zinc/86/78/71/996867871.db2.gz ZLTWDZULEURDMB-KRWDZBQOSA-N 0 0 357.381 2.922 20 10 FFCDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H](C)C1 ZINC000803687479 1016071296 /nfs/dbraw/zinc/07/12/96/1016071296.db2.gz DMDASIRFOZWTFE-RVKKMQEKSA-N 0 0 357.498 2.626 20 10 FFCDRN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000803687154 1016071535 /nfs/dbraw/zinc/07/15/35/1016071535.db2.gz WBWZTUQFBUOGBG-WRWLIDTKSA-N 0 0 369.509 2.865 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCCC(C)(C)C(=O)OC(C)(C)C)c1 ZINC000824330746 996911364 /nfs/dbraw/zinc/91/13/64/996911364.db2.gz AXYKTVOYVZNRTF-UHFFFAOYSA-N 0 0 366.458 2.958 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCCc3ccncc3C)C2)cc1 ZINC000824472279 996951930 /nfs/dbraw/zinc/95/19/30/996951930.db2.gz GYLFBNVNRRLZNF-KRWDZBQOSA-N 0 0 368.481 2.767 20 10 FFCDRN C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)n1cc(COc2ccc(N)cc2)nn1 ZINC000881017338 1016082169 /nfs/dbraw/zinc/08/21/69/1016082169.db2.gz BHHFDMKDCMDVIB-QLFBSQMISA-N 0 0 357.458 2.790 20 10 FFCDRN COc1c(F)cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(N)c1F ZINC001136972668 997170222 /nfs/dbraw/zinc/17/02/22/997170222.db2.gz VSARYFBKXYSPPX-UHFFFAOYSA-N 0 0 363.364 2.661 20 10 FFCDRN CN(C)c1ccc(CN(CCN2CCOCC2)Cc2ccco2)cc1F ZINC000825305938 997305225 /nfs/dbraw/zinc/30/52/25/997305225.db2.gz WTHNIGRXCKTSOP-UHFFFAOYSA-N 0 0 361.461 2.819 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](O)c2cccc([N+](=O)[O-])c2)cc1 ZINC000825326114 997317605 /nfs/dbraw/zinc/31/76/05/997317605.db2.gz JTSONUVIYJSELB-SFHVURJKSA-N 0 0 357.410 2.791 20 10 FFCDRN COCc1nccc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000825480111 997412883 /nfs/dbraw/zinc/41/28/83/997412883.db2.gz YRMSXFJGOVPOLK-AWEZNQCLSA-N 0 0 357.458 2.750 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCCc4nn[nH]c43)cc2)CC1 ZINC000826861079 1016137573 /nfs/dbraw/zinc/13/75/73/1016137573.db2.gz AKDVZKMIWYVUQD-QGZVFWFLSA-N 0 0 353.470 2.777 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3CCN(C/C=C\Cl)C[C@H]32)cc1 ZINC001084860237 997701139 /nfs/dbraw/zinc/70/11/39/997701139.db2.gz HEDCJHCBFKJASL-JFSZJJLWSA-N 0 0 361.833 2.748 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)Nc1c(-c2cccnc2)nc2ccccn21 ZINC001143870423 997751438 /nfs/dbraw/zinc/75/14/38/997751438.db2.gz XVBGYIGFORCNHG-UHFFFAOYSA-N 0 0 360.373 2.989 20 10 FFCDRN 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ZINC001251165080 1038980812 /nfs/dbraw/zinc/98/08/12/1038980812.db2.gz GESBIIZCYXGNPO-UHFFFAOYSA-N 0 0 368.886 2.912 20 10 FFCDRN O=C(NCc1ccccc1O)c1cn(-c2ccc(Br)cc2)nn1 ZINC001251401301 1039110343 /nfs/dbraw/zinc/11/03/43/1039110343.db2.gz BTEAMIKIVYODHN-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ncn(-c3ccccc3)n2)c1 ZINC001251450354 1039138238 /nfs/dbraw/zinc/13/82/38/1039138238.db2.gz XXRDXVIJPLOSQX-CYBMUJFWSA-N 0 0 367.409 2.542 20 10 FFCDRN O=C(NCCc1ccc2c(c1)OC(F)(F)O2)NCc1c(O)cccc1F ZINC001252514516 1039571693 /nfs/dbraw/zinc/57/16/93/1039571693.db2.gz GKRPKDDBQFYPBP-UHFFFAOYSA-N 0 0 368.311 2.895 20 10 FFCDRN CC(=O)c1cc(Nc2cccc3c2C(=O)c2cccc(N)c2C3=O)ccn1 ZINC001210594857 1039626877 /nfs/dbraw/zinc/62/68/77/1039626877.db2.gz GJXHHTICWWNRMS-UHFFFAOYSA-N 0 0 357.369 2.807 20 10 FFCDRN CCOc1ccnc(CNC(=S)Nc2ccc(N3CCOCC3)cc2)c1 ZINC001247269645 1039682891 /nfs/dbraw/zinc/68/28/91/1039682891.db2.gz DYLSEHVIWYHIPF-UHFFFAOYSA-N 0 0 372.494 2.804 20 10 FFCDRN COc1ccc(CNC(=O)NCCc2ccnc3ccccc23)c(O)c1 ZINC001252843122 1039730367 /nfs/dbraw/zinc/73/03/67/1039730367.db2.gz GRSBJLRNBIPWOA-UHFFFAOYSA-N 0 0 351.406 2.991 20 10 FFCDRN COc1ccc(N(c2cnn(CS(C)(=O)=O)c2)c2ccc(N)cc2)cc1 ZINC001210789155 1039734934 /nfs/dbraw/zinc/73/49/34/1039734934.db2.gz HHEDMUQKGVNHGT-UHFFFAOYSA-N 0 0 372.450 2.946 20 10 FFCDRN COc1cccc(S(=O)(=O)Nc2ccc(O)cc2Br)c1 ZINC001259189653 1039782884 /nfs/dbraw/zinc/78/28/84/1039782884.db2.gz VAZORIVNUPKLGQ-UHFFFAOYSA-N 0 0 358.213 2.964 20 10 FFCDRN O=c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2c(F)ccc(F)c2[O-])[nH]1 ZINC001278688050 1039814955 /nfs/dbraw/zinc/81/49/55/1039814955.db2.gz SNMFPVNVXSPMIP-OKILXGFUSA-N 0 0 361.392 2.620 20 10 FFCDRN COc1cc(-c2noc(CN3C(=O)CSC3=S)n2)ccc1Cl ZINC001247596655 1039822861 /nfs/dbraw/zinc/82/28/61/1039822861.db2.gz RWXMRLLADFMXSX-UHFFFAOYSA-N 0 0 355.828 2.759 20 10 FFCDRN O=C(CN[C@@H](c1ccccc1)C(F)(F)F)NCc1ccc(O)cc1O ZINC001299574967 1039922130 /nfs/dbraw/zinc/92/21/30/1039922130.db2.gz UULAKVVSFMPTDK-INIZCTEOSA-N 0 0 354.328 2.607 20 10 FFCDRN O=S(=O)(Nc1cc(F)c(O)cc1F)c1ccc(-n2cccn2)cc1 ZINC001259369963 1039948815 /nfs/dbraw/zinc/94/88/15/1039948815.db2.gz DLQLCBMXFLUQIE-UHFFFAOYSA-N 0 0 351.334 2.657 20 10 FFCDRN Oc1ccc(Cc2nc(-c3ccc(OC4COC4)c(F)c3)no2)cc1O ZINC001247958861 1040076610 /nfs/dbraw/zinc/07/66/10/1040076610.db2.gz GHXMJLJJOTXUQE-UHFFFAOYSA-N 0 0 358.325 2.655 20 10 FFCDRN CC(C)NC(=S)N1CC[C@@H]2[C@H]1CCC(=O)N2Cc1ccc(N(C)C)cc1 ZINC001279105100 1040140255 /nfs/dbraw/zinc/14/02/55/1040140255.db2.gz GYKCHGMIIWFPSW-QZTJIDSGSA-N 0 0 374.554 2.601 20 10 FFCDRN COc1ccc(CNCc2nc(-c3cccc(C(C)=O)c3)no2)c(O)c1 ZINC001248247511 1040192703 /nfs/dbraw/zinc/19/27/03/1040192703.db2.gz IHELLUDGYXBBID-UHFFFAOYSA-N 0 0 353.378 2.943 20 10 FFCDRN COc1cc(O)c(CN2CC(C)(F)C2)cc1I ZINC001248461701 1040286250 /nfs/dbraw/zinc/28/62/50/1040286250.db2.gz BSLFSXPBPOEPAU-UHFFFAOYSA-N 0 0 351.159 2.549 20 10 FFCDRN CC(C)(C)OC(=O)[C@H](O)CNc1cccc2c1C(=O)c1ccccc1C2=O ZINC001253664791 1040306587 /nfs/dbraw/zinc/30/65/87/1040306587.db2.gz FSXXAXKCIKGHFW-MRXNPFEDSA-N 0 0 367.401 2.577 20 10 FFCDRN COC(=O)Cc1ccc(CN2CCCC[C@@H]2C(=O)OC(C)(C)C)c(O)c1 ZINC001249201160 1040624774 /nfs/dbraw/zinc/62/47/74/1040624774.db2.gz IHTLGWQXLXYPBF-MRXNPFEDSA-N 0 0 363.454 2.804 20 10 FFCDRN COC(=O)Cc1ccc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)c(O)c1 ZINC001249214716 1040628847 /nfs/dbraw/zinc/62/88/47/1040628847.db2.gz RKSQSIBLAQYPPE-IBGZPJMESA-N 0 0 355.434 2.551 20 10 FFCDRN CC1(C)CCc2cc(S(=O)(=O)NCc3cccc(O)c3O)ccc2O1 ZINC001260721094 1040750373 /nfs/dbraw/zinc/75/03/73/1040750373.db2.gz UQCHJNMFYJUSIG-UHFFFAOYSA-N 0 0 363.435 2.680 20 10 FFCDRN CCc1cccc(C)c1NC(=S)NCc1ccc(S(C)(=O)=O)cn1 ZINC001249567018 1040872364 /nfs/dbraw/zinc/87/23/64/1040872364.db2.gz RXRPLKWOIOLLMM-UHFFFAOYSA-N 0 0 363.508 2.843 20 10 FFCDRN O=S(=O)(NCc1c(O)cccc1F)c1cccc(Br)c1 ZINC001213797474 1040921888 /nfs/dbraw/zinc/92/18/88/1040921888.db2.gz DBQNVQPDZKFODV-UHFFFAOYSA-N 0 0 360.204 2.772 20 10 FFCDRN CCOC(=O)CCCOc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c(O)c1 ZINC001249725001 1040962251 /nfs/dbraw/zinc/96/22/51/1040962251.db2.gz MAOYEXMKPNNOGT-MAUKXSAKSA-N 0 0 365.470 2.707 20 10 FFCDRN COc1cccc(NS(=O)(=O)c2ccc(Cl)c3nonc32)c1F ZINC001261072785 1040977594 /nfs/dbraw/zinc/97/75/94/1040977594.db2.gz GUOFMUZNWZCFTI-UHFFFAOYSA-N 0 0 357.750 2.825 20 10 FFCDRN C[NH+](C)CCN1C[C@H]2CC[C@@H](C1)N2Cc1cc(Cl)cc(Cl)c1[O-] ZINC001278561182 1041176158 /nfs/dbraw/zinc/17/61/58/1041176158.db2.gz VOMPIVNWXMPOQJ-GASCZTMLSA-N 0 0 358.313 2.909 20 10 FFCDRN Cc1cccc(C2=CCN(C(=O)C(=O)NCCc3ccc(N)cc3)CC2)c1 ZINC001261383707 1041204458 /nfs/dbraw/zinc/20/44/58/1041204458.db2.gz UTRZJCXURRIBID-UHFFFAOYSA-N 0 0 363.461 2.552 20 10 FFCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)NN1CCS(=O)(=O)CC1 ZINC001214145926 1041269921 /nfs/dbraw/zinc/26/99/21/1041269921.db2.gz TVUZDZBIAZFAPL-UHFFFAOYSA-N 0 0 373.438 2.869 20 10 FFCDRN Cc1cc(CCNC(=O)Cn2cc(C3CC3)nn2)c(C)n1-c1ccccc1 ZINC001261998837 1041504364 /nfs/dbraw/zinc/50/43/64/1041504364.db2.gz URVHOVHXHLITCU-UHFFFAOYSA-N 0 0 363.465 2.922 20 10 FFCDRN COCOc1c(C)cccc1N(C)S(=O)(=O)CCc1ccc(N)cc1 ZINC001214853539 1041595709 /nfs/dbraw/zinc/59/57/09/1041595709.db2.gz VNHFMPNGTMFBGO-UHFFFAOYSA-N 0 0 364.467 2.569 20 10 FFCDRN CCOC(=O)c1snnc1-c1nc(-c2ccc(C(C)=O)cc2F)no1 ZINC001214861799 1041598763 /nfs/dbraw/zinc/59/87/63/1041598763.db2.gz OIPVUZVZBNGMRX-UHFFFAOYSA-N 0 0 362.342 2.774 20 10 FFCDRN C[C@H](c1ccccc1)[N@@H+](Cc1ccccc1O)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001262236767 1041610389 /nfs/dbraw/zinc/61/03/89/1041610389.db2.gz LRDMQGJKCVUWPQ-AGHHOFFYSA-N 0 0 371.477 2.858 20 10 FFCDRN COc1nc(-c2noc(-c3cccc(O)c3O)n2)ccc1-n1cnc(C)c1 ZINC001215145676 1041678757 /nfs/dbraw/zinc/67/87/57/1041678757.db2.gz BMJNQWIIHBFBNF-UHFFFAOYSA-N 0 0 365.349 2.713 20 10 FFCDRN COc1nc(-c2noc(-c3ccc(O)c(O)c3)n2)ccc1-n1cnc(C)c1 ZINC001215304787 1041730610 /nfs/dbraw/zinc/73/06/10/1041730610.db2.gz ZMYJMAGFVLJCGS-UHFFFAOYSA-N 0 0 365.349 2.713 20 10 FFCDRN Nc1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1 ZINC001262603494 1041748742 /nfs/dbraw/zinc/74/87/42/1041748742.db2.gz KPWLKIRARVNTHV-AABGKKOBSA-N 0 0 351.450 2.983 20 10 FFCDRN CCOc1c(F)c(F)ccc1N(C)S(=O)(=O)CCc1ccc(N)cc1 ZINC001215417723 1041775587 /nfs/dbraw/zinc/77/55/87/1041775587.db2.gz ZCALHXXZGAOGGU-UHFFFAOYSA-N 0 0 370.421 2.954 20 10 FFCDRN CC(=O)c1cccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)c1F ZINC001216501067 1042042828 /nfs/dbraw/zinc/04/28/28/1042042828.db2.gz XHYPSZFNXOXRNY-UHFFFAOYSA-N 0 0 350.415 2.619 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCN(CC(F)F)CC2)n1CC1CC1 ZINC001263681812 1042433667 /nfs/dbraw/zinc/43/36/67/1042433667.db2.gz XTHIXVMPSNJPRR-UHFFFAOYSA-N 0 0 369.441 2.509 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC3([C@@H]4CCCO4)CCC3)C2)cc1 ZINC001263731777 1042455715 /nfs/dbraw/zinc/45/57/15/1042455715.db2.gz OKAMOALTZADIBG-YJBOKZPZSA-N 0 0 359.470 2.675 20 10 FFCDRN COc1ccc(N2CCCC[C@]23CC(=O)N(Cc2cnoc2)C3)cc1F ZINC001278075631 1043084829 /nfs/dbraw/zinc/08/48/29/1043084829.db2.gz QNGYOCJBJOFWGA-LJQANCHMSA-N 0 0 359.401 2.984 20 10 FFCDRN Oc1cccc(F)c1CN1CC2(CCN2Cc2nc3ccccc3[nH]2)C1 ZINC001279421833 1043093731 /nfs/dbraw/zinc/09/37/31/1043093731.db2.gz PZJGXFFHJKBIOJ-UHFFFAOYSA-N 0 0 352.413 2.868 20 10 FFCDRN COc1ccc(N2CCC[C@]23CCN(Cc2cncn2C)C3=O)c(C)c1 ZINC001278092544 1043137360 /nfs/dbraw/zinc/13/73/60/1043137360.db2.gz LYJNGGBILJZPFR-HXUWFJFHSA-N 0 0 354.454 2.509 20 10 FFCDRN CC1=CCC=C[C@@H]1C(=O)N1CCC12CN(Cc1c(O)ccc(F)c1F)C2 ZINC001279489181 1043174814 /nfs/dbraw/zinc/17/48/14/1043174814.db2.gz LQHIQMAPSHNZID-AWEZNQCLSA-N 0 0 360.404 2.980 20 10 FFCDRN Cc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2cccc(F)c2[O-])n(C)n1 ZINC001279528585 1043228567 /nfs/dbraw/zinc/22/85/67/1043228567.db2.gz DCLMYGGCHRBQSQ-ALOPSCKCSA-N 0 0 358.461 2.858 20 10 FFCDRN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1)C1CCOCC1 ZINC001237623284 1043278953 /nfs/dbraw/zinc/27/89/53/1043278953.db2.gz LOKZOLAIOKOCQG-OAHLLOKOSA-N 0 0 370.852 2.692 20 10 FFCDRN CCOC(=O)[C@@H]1CN(Cc2cc(Br)c(C)cc2O)CCS1 ZINC001237686770 1043312472 /nfs/dbraw/zinc/31/24/72/1043312472.db2.gz XZCBUIGODYQWOU-AWEZNQCLSA-N 0 0 374.300 2.944 20 10 FFCDRN CCOC(=O)[C@H]1CSCCN1Cc1cc(Br)c(C)cc1O ZINC001237686096 1043312501 /nfs/dbraw/zinc/31/25/01/1043312501.db2.gz TVEIALCUCQVFHC-CYBMUJFWSA-N 0 0 374.300 2.944 20 10 FFCDRN C[C@H]1CC[N@H+](Cc2cccc(I)c2[O-])CC[C@@H]1O ZINC001237776558 1043349738 /nfs/dbraw/zinc/34/97/38/1043349738.db2.gz KJPFWZLKGXAKRY-GWCFXTLKSA-N 0 0 361.223 2.590 20 10 FFCDRN [O-]c1c(I)cccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC001237777706 1043351231 /nfs/dbraw/zinc/35/12/31/1043351231.db2.gz PIFLPSDTQVOQNN-LLVKDONJSA-N 0 0 361.223 2.591 20 10 FFCDRN Cc1c(Cl)cccc1S(=O)(=O)Nc1cccc(N2CC([NH3+])C2)c1 ZINC001237812688 1043373938 /nfs/dbraw/zinc/37/39/38/1043373938.db2.gz JARJQWZDJYBMTP-UHFFFAOYSA-N 0 0 351.859 2.597 20 10 FFCDRN CCn1nnc2c1[C@H](COC)CN(Cc1cc(F)c(Cl)cc1O)C2 ZINC001237938543 1043444773 /nfs/dbraw/zinc/44/47/73/1043444773.db2.gz KCFDFJNLYIRGLE-NSHDSACASA-N 0 0 354.813 2.542 20 10 FFCDRN CC1(C)C[NH2+]Cc2cc([N-]S(=O)(=O)c3cccc4nsnc43)ccc21 ZINC001237959953 1043456393 /nfs/dbraw/zinc/45/63/93/1043456393.db2.gz XPRSYYRUNXQXDI-UHFFFAOYSA-N 0 0 374.491 2.873 20 10 FFCDRN CCOc1ccc(N2CC3(C2)CCN(C(=O)NCC(F)(F)F)C3)cc1 ZINC001279732117 1043547192 /nfs/dbraw/zinc/54/71/92/1043547192.db2.gz AMZDCMOFWAACAH-UHFFFAOYSA-N 0 0 357.376 2.869 20 10 FFCDRN O=C([O-])[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)Cc1ccccc1 ZINC000756312226 1043578579 /nfs/dbraw/zinc/57/85/79/1043578579.db2.gz ZOJBRCFZZILQRN-SFHVURJKSA-N 0 0 372.440 2.695 20 10 FFCDRN CC(=O)Nc1cc(S(=O)(=O)NCc2cccc(Cl)c2O)ccc1F ZINC001309940272 1043600118 /nfs/dbraw/zinc/60/01/18/1043600118.db2.gz HEOZWLYZIPNUEK-UHFFFAOYSA-N 0 0 372.805 2.622 20 10 FFCDRN COc1ccc(N2CC3(CN(C(=O)[C@H]4C=CCC=C4C)C3)C2)c(OC)c1 ZINC001279759567 1043600247 /nfs/dbraw/zinc/60/02/47/1043600247.db2.gz SLDPHTQMMFNUSM-KRWDZBQOSA-N 0 0 354.450 2.875 20 10 FFCDRN CC(C)NC(=O)N1CC[C@@]2(C1)CCCN(c1ccc3c(c1)OCCO3)C2 ZINC001279764437 1043607404 /nfs/dbraw/zinc/60/74/04/1043607404.db2.gz CAAWVNYQVUOXJG-FQEVSTJZSA-N 0 0 359.470 2.868 20 10 FFCDRN O=C([O-])[C@@H](CN1CCCc2ccccc21)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000756384401 1043608849 /nfs/dbraw/zinc/60/88/49/1043608849.db2.gz AAHOCCZXQUSNPS-GOSISDBHSA-N 0 0 352.434 2.617 20 10 FFCDRN Cc1c(Br)cccc1S(=O)(=O)NCc1ccc(N)cc1 ZINC001238368292 1043672574 /nfs/dbraw/zinc/67/25/74/1043672574.db2.gz SGRICXRFGWDLQF-UHFFFAOYSA-N 0 0 355.257 2.818 20 10 FFCDRN COC(=O)c1cnc(NC(=O)NCc2ccc(N(C)C)cc2C)cc1C ZINC001311261555 1043859022 /nfs/dbraw/zinc/85/90/22/1043859022.db2.gz FYEXTTQPYDEWRI-UHFFFAOYSA-N 0 0 356.426 2.873 20 10 FFCDRN CCC[C@@]1(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC[NH2+]1 ZINC001238885773 1043932468 /nfs/dbraw/zinc/93/24/68/1043932468.db2.gz SOFBSWFJALJFST-ZDUSSCGKSA-N 0 0 353.271 2.510 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@@](C)(C(F)(F)F)C1 ZINC001311943859 1044007442 /nfs/dbraw/zinc/00/74/42/1044007442.db2.gz HLYHZHCYYNKDSD-MRXNPFEDSA-N 0 0 359.392 2.924 20 10 FFCDRN CCN(C(=O)c1n[nH]c2c1CCN(Cc1c(O)cccc1F)C2)C(C)C ZINC001280007406 1044078039 /nfs/dbraw/zinc/07/80/39/1044078039.db2.gz CTFIOYNYTXGETO-UHFFFAOYSA-N 0 0 360.433 2.683 20 10 FFCDRN COC[C@H](CCO)NC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001313133209 1044245493 /nfs/dbraw/zinc/24/54/93/1044245493.db2.gz SSVJVMQRKCSEHK-SFHVURJKSA-N 0 0 359.470 2.599 20 10 FFCDRN CCN(C)c1nnc(C(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001313561525 1044379081 /nfs/dbraw/zinc/37/90/81/1044379081.db2.gz PAPWNNGVCRYNBP-UHFFFAOYSA-N 0 0 361.465 2.882 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCCCO1 ZINC001314752916 1044547158 /nfs/dbraw/zinc/54/71/58/1044547158.db2.gz GACCUNKDNOVOSX-IAGOWNOFSA-N 0 0 372.469 2.693 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2cccn2C)n1CC1(O)CCC1 ZINC001314751085 1044547198 /nfs/dbraw/zinc/54/71/98/1044547198.db2.gz POGIIKMTRXHKEL-UHFFFAOYSA-N 0 0 367.453 2.541 20 10 FFCDRN Cc1ccc(C)c(CN2CCc3c(n[nH]c3C(=O)NC(C)(C)C)C2)c1O ZINC001280345560 1044634326 /nfs/dbraw/zinc/63/43/26/1044634326.db2.gz AFKNSKMTCYQYQM-UHFFFAOYSA-N 0 0 356.470 2.819 20 10 FFCDRN O=C(NC[C@H]1CCOC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC001318775699 1044869314 /nfs/dbraw/zinc/86/93/14/1044869314.db2.gz DRBDMHNZZOAZLJ-KGLIPLIRSA-N 0 0 369.412 2.593 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)c1ccsc1 ZINC001320147629 1045356777 /nfs/dbraw/zinc/35/67/77/1045356777.db2.gz JWHSLSCDBINWBG-FZMZJTMJSA-N 0 0 363.435 2.553 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H](CO)CC1CCOCC1 ZINC001320889062 1045489058 /nfs/dbraw/zinc/48/90/58/1045489058.db2.gz SKSSGOZYSQSJBP-ZDUSSCGKSA-N 0 0 358.276 2.670 20 10 FFCDRN O=C(CCn1cnc2ccccc2c1=O)Nc1c2nonc2ccc1Cl ZINC001321103721 1045547020 /nfs/dbraw/zinc/54/70/20/1045547020.db2.gz RUUIIWBZAVDQSZ-UHFFFAOYSA-N 0 0 369.768 2.615 20 10 FFCDRN O=C1CCc2cc(S(=O)(=O)Nc3ccc(O)c(Cl)c3)ccc2N1 ZINC001323491488 1045609834 /nfs/dbraw/zinc/60/98/34/1045609834.db2.gz INOIGHCXVQXTJN-UHFFFAOYSA-N 0 0 352.799 2.731 20 10 FFCDRN Cc1cccc(F)c1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC001323706409 1045691362 /nfs/dbraw/zinc/69/13/62/1045691362.db2.gz GVGPVICMNKRZEV-UHFFFAOYSA-N 0 0 362.426 2.621 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N(CCC(F)(F)F)CC2CC2)cc1 ZINC001321594004 1045723420 /nfs/dbraw/zinc/72/34/20/1045723420.db2.gz RSJUSMOYOZEVNF-UHFFFAOYSA-N 0 0 371.403 2.560 20 10 FFCDRN CC(C)Cn1cc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)cn1 ZINC001539705916 1070683761 /nfs/dbraw/zinc/68/37/61/1070683761.db2.gz JATGNUOGZCTCSF-LJQANCHMSA-N 0 0 357.502 2.638 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)c2cnc3cc[nH]c3c2)[NH+](C)C)cc1 ZINC001539706347 1070683805 /nfs/dbraw/zinc/68/38/05/1070683805.db2.gz JTWZZGIHEPEDIT-IBGZPJMESA-N 0 0 351.454 2.662 20 10 FFCDRN Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)c(F)cc3[O-])CC2)no1 ZINC001324553537 1046098287 /nfs/dbraw/zinc/09/82/87/1046098287.db2.gz RCXUPWWWMYDZAR-UHFFFAOYSA-N 0 0 367.808 2.876 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC(C)(C)c2ccccc21 ZINC001324723466 1046186594 /nfs/dbraw/zinc/18/65/94/1046186594.db2.gz VNGKBYXYESXVRH-QGZVFWFLSA-N 0 0 352.434 2.889 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]Cc2cccc(OCC(F)(F)F)n2)c1 ZINC001324796015 1046231520 /nfs/dbraw/zinc/23/15/20/1046231520.db2.gz RTYDGEKNCPYMDJ-UHFFFAOYSA-N 0 0 357.288 2.926 20 10 FFCDRN CCN(C(=O)C(=O)N(C)Cc1ccccc1O)[C@H](C)c1cccc(OC)c1 ZINC001324834142 1046246952 /nfs/dbraw/zinc/24/69/52/1046246952.db2.gz QRFCUERPZORTLR-OAHLLOKOSA-N 0 0 370.449 2.969 20 10 FFCDRN CCOc1ccc(N2CCN(CC(=O)N[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC001322873213 1046255580 /nfs/dbraw/zinc/25/55/80/1046255580.db2.gz ZOGXKFOIQORBQQ-XLIONFOSSA-N 0 0 359.514 2.902 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1ccc(F)cc1 ZINC001323186743 1046377382 /nfs/dbraw/zinc/37/73/82/1046377382.db2.gz AYPQAPZMBWAVKV-UHFFFAOYSA-N 0 0 358.413 2.584 20 10 FFCDRN Nc1ccc(CCNC(=O)NCc2cccc(OCC(F)(F)F)n2)cc1 ZINC001325325201 1046470043 /nfs/dbraw/zinc/47/00/43/1046470043.db2.gz UNCJZYHMUSAUIO-UHFFFAOYSA-N 0 0 368.359 2.647 20 10 FFCDRN C[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)CC(F)(F)F ZINC001325537137 1046542829 /nfs/dbraw/zinc/54/28/29/1046542829.db2.gz YPRPLXQYFDEBNF-VXGBXAGGSA-N 0 0 359.392 2.635 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC001325991075 1046711863 /nfs/dbraw/zinc/71/18/63/1046711863.db2.gz IKIIEFROOHBTQH-YZGWKJHDSA-N 0 0 369.509 2.940 20 10 FFCDRN C[C@@]1(Cc2ccccc2)CCCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC001326183467 1046798048 /nfs/dbraw/zinc/79/80/48/1046798048.db2.gz SAWQNYPOTGBMRK-QFIPXVFZSA-N 0 0 365.477 2.551 20 10 FFCDRN CCN(CC)c1ccc(CNc2ncc([N+](=O)[O-])cc2C(N)=O)cc1F ZINC000731351858 1047282339 /nfs/dbraw/zinc/28/23/39/1047282339.db2.gz DDCGAEWBYJNWBE-UHFFFAOYSA-N 0 0 361.377 2.686 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](OC)c3ccccc3)CC2)c(OC)c1 ZINC001287477726 1047292055 /nfs/dbraw/zinc/29/20/55/1047292055.db2.gz FHDOPHJWMRVORH-HXUWFJFHSA-N 0 0 370.449 2.740 20 10 FFCDRN C[C@@H](NC(=O)c1ccoc1)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001540487260 1070904539 /nfs/dbraw/zinc/90/45/39/1070904539.db2.gz SHDKCJZILDUGBU-OAHLLOKOSA-N 0 0 355.438 2.657 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000734406401 1047808066 /nfs/dbraw/zinc/80/80/66/1047808066.db2.gz WRJLCUWQBAGPHY-UHFFFAOYSA-N 0 0 367.409 2.635 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NC[C@@H]3CC4(CCC4)CO3)CC2)cc1 ZINC001331393727 1047911086 /nfs/dbraw/zinc/91/10/86/1047911086.db2.gz QZKRNDIPHXLYJI-IBGZPJMESA-N 0 0 373.497 2.922 20 10 FFCDRN Cc1ccccc1[C@H]1C[C@H](NC(=O)C(=O)N2Cc3cccc(O)c3C2)C1 ZINC001331418628 1047923648 /nfs/dbraw/zinc/92/36/48/1047923648.db2.gz VHQKKMPZRBVNQT-WKILWMFISA-N 0 0 350.418 2.605 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N2CC[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC001327545018 1047941660 /nfs/dbraw/zinc/94/16/60/1047941660.db2.gz MBDVUWVDRARVTK-INIZCTEOSA-N 0 0 371.868 2.597 20 10 FFCDRN CN(C)C(=O)c1ccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001540680029 1070966653 /nfs/dbraw/zinc/96/66/53/1070966653.db2.gz RQXXYABWYHODDY-UHFFFAOYSA-N 0 0 370.430 2.944 20 10 FFCDRN CC[C@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC001331797207 1048115967 /nfs/dbraw/zinc/11/59/67/1048115967.db2.gz XMKHVCBJMJZNLC-ZDUSSCGKSA-N 0 0 373.419 2.806 20 10 FFCDRN COC[C@@H](NC(=O)NCc1c(O)ccc2c1CCCC2)[C@@H]1CCCOC1 ZINC001332103471 1048248329 /nfs/dbraw/zinc/24/83/29/1048248329.db2.gz DBINZUKYCXPRSV-CRAIPNDOSA-N 0 0 362.470 2.512 20 10 FFCDRN COC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cn1C ZINC001332159705 1048274601 /nfs/dbraw/zinc/27/46/01/1048274601.db2.gz DNGJTOVECKGTBG-UHFFFAOYSA-N 0 0 366.439 2.750 20 10 FFCDRN Cc1cccc2c1CCC[C@@H]2NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001328624988 1048386037 /nfs/dbraw/zinc/38/60/37/1048386037.db2.gz WECQIKCYCFZKNZ-SFHVURJKSA-N 0 0 352.434 2.853 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(C(F)F)ncn1 ZINC001332933031 1048630991 /nfs/dbraw/zinc/63/09/91/1048630991.db2.gz NXUWBFAHZWSLGV-UHFFFAOYSA-N 0 0 364.421 2.897 20 10 FFCDRN CCCC[C@](C)(F)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC ZINC001329260859 1048641453 /nfs/dbraw/zinc/64/14/53/1048641453.db2.gz NARKOUNFHOPMPK-UGSOOPFHSA-N 0 0 355.406 2.607 20 10 FFCDRN C[C@@]1(c2ccccc2)CCC[N@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000737734572 1048657409 /nfs/dbraw/zinc/65/74/09/1048657409.db2.gz MDEJSYSKTPGHIR-HXUWFJFHSA-N 0 0 366.421 2.687 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2C[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001329912276 1048964068 /nfs/dbraw/zinc/96/40/68/1048964068.db2.gz PWBNLQZPWFBGPQ-BZWBGLRVSA-N 0 0 353.413 2.817 20 10 FFCDRN O=C([O-])CC[C@@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)C(F)(F)F ZINC001329965421 1048986170 /nfs/dbraw/zinc/98/61/70/1048986170.db2.gz PVANJFIYLHBXMK-AWEZNQCLSA-N 0 0 360.376 2.656 20 10 FFCDRN C=CC(=O)Nc1ccc(O)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC001293955732 1049658375 /nfs/dbraw/zinc/65/83/75/1049658375.db2.gz LDGMCKTZFQJUCL-UHFFFAOYSA-N 0 0 367.405 2.622 20 10 FFCDRN CCCn1c(C(=O)NC(CC)CC)nnc1N(C)Cc1ccccc1O ZINC001294583980 1049773099 /nfs/dbraw/zinc/77/30/99/1049773099.db2.gz AXSMVKJQWHIRQB-UHFFFAOYSA-N 0 0 359.474 2.949 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]21 ZINC001294679508 1049793105 /nfs/dbraw/zinc/79/31/05/1049793105.db2.gz PVPKMTOBBBKUSX-ZMSDIMECSA-N 0 0 360.454 2.854 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c(Cl)n[nH]c3C3CC3)CC2)cc1 ZINC001294755402 1049802699 /nfs/dbraw/zinc/80/26/99/1049802699.db2.gz DTFWDTXETDZEPW-UHFFFAOYSA-N 0 0 360.845 2.912 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c(C)ccc(F)c3N)CC2)cc1F ZINC001294825170 1049813980 /nfs/dbraw/zinc/81/39/80/1049813980.db2.gz SRADBCLLFLOVAD-UHFFFAOYSA-N 0 0 361.392 2.826 20 10 FFCDRN O=C1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000742393225 1049883063 /nfs/dbraw/zinc/88/30/63/1049883063.db2.gz XEHNLBPQGAJEJC-JQHSSLGASA-N 0 0 367.405 2.547 20 10 FFCDRN O=C(c1cnc2ccccn12)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001295405789 1049923963 /nfs/dbraw/zinc/92/39/63/1049923963.db2.gz LOGRLPWXNXGRPB-INIZCTEOSA-N 0 0 351.406 2.861 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)nc1 ZINC001339782289 1050201559 /nfs/dbraw/zinc/20/15/59/1050201559.db2.gz HGCRZGPOPHRWLI-UHFFFAOYSA-N 0 0 354.454 2.832 20 10 FFCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N1CCN(C(C)C)CC1 ZINC001341731507 1050350125 /nfs/dbraw/zinc/35/01/25/1050350125.db2.gz BXSNLMKNDFQCNK-UHFFFAOYSA-N 0 0 372.498 2.811 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)O[C@@]2(CCCOC2)C1 ZINC001340026641 1050438416 /nfs/dbraw/zinc/43/84/16/1050438416.db2.gz QYJUPVBHDAHDQG-SJCJKPOMSA-N 0 0 364.471 2.506 20 10 FFCDRN COC[C@H]1CCCN(c2nnc(C3Sc4ncccc4C3=O)n2C)C1 ZINC001340211116 1050619653 /nfs/dbraw/zinc/61/96/53/1050619653.db2.gz VTQXZTCCPMKSRQ-NSHDSACASA-N 0 0 359.455 2.660 20 10 FFCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N1CCCO[C@H](C)C1 ZINC001340213604 1050620945 /nfs/dbraw/zinc/62/09/45/1050620945.db2.gz CPEUGZSOYUGBBS-LLVKDONJSA-N 0 0 359.455 2.896 20 10 FFCDRN COc1ccc(C(=O)NCc2cc(C)ccc2O)nc1Br ZINC001301046930 1050800027 /nfs/dbraw/zinc/80/00/27/1050800027.db2.gz NZWGNGXBMPRHQN-UHFFFAOYSA-N 0 0 351.200 2.797 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC001301678812 1050952891 /nfs/dbraw/zinc/95/28/91/1050952891.db2.gz QTFKEAXZPMUICJ-KRWDZBQOSA-N 0 0 368.433 2.983 20 10 FFCDRN C[C@@H](O)Cc1nnc(N(C)Cc2ccccc2O)n1Cc1ccccc1 ZINC001340574041 1050960134 /nfs/dbraw/zinc/96/01/34/1050960134.db2.gz PCBBUOGMULIZBT-OAHLLOKOSA-N 0 0 352.438 2.592 20 10 FFCDRN Cc1cc(CNC(=O)C2(N3CCOCC3)CC2)c(C)n1-c1ccccc1 ZINC001302266840 1051070724 /nfs/dbraw/zinc/07/07/24/1051070724.db2.gz FVPNEIIMKGPQOG-UHFFFAOYSA-N 0 0 353.466 2.575 20 10 FFCDRN Cc1cc(C(=O)NC2CN(c3ccncn3)C2)c(C)n1-c1cccc(C)c1 ZINC001302707336 1051177128 /nfs/dbraw/zinc/17/71/28/1051177128.db2.gz PUIJQTYDQKANMR-UHFFFAOYSA-N 0 0 361.449 2.811 20 10 FFCDRN Nc1ncc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)s1 ZINC001340839979 1051179032 /nfs/dbraw/zinc/17/90/32/1051179032.db2.gz URVQOSTYRWAFKR-UHFFFAOYSA-N 0 0 368.409 2.726 20 10 FFCDRN O=C(NCc1c(O)cccc1F)[C@H](c1ccccc1)N1CCSCC1 ZINC001303877745 1051465227 /nfs/dbraw/zinc/46/52/27/1051465227.db2.gz FTAZHIUVMXHHEB-SFHVURJKSA-N 0 0 360.454 2.938 20 10 FFCDRN O=C(NCc1c(O)cccc1F)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001303878569 1051465486 /nfs/dbraw/zinc/46/54/86/1051465486.db2.gz NEBIQICAXZBMKZ-KRWDZBQOSA-N 0 0 372.396 2.949 20 10 FFCDRN O=C(CSCC(=O)c1ccc(Cl)cc1)NCc1c(O)cccc1O ZINC001304051180 1051514914 /nfs/dbraw/zinc/51/49/14/1051514914.db2.gz VWWAOIAAPFJQAO-UHFFFAOYSA-N 0 0 365.838 2.984 20 10 FFCDRN Cn1cc([C@@H]2CSCCCN2C(=O)c2ccc(N=NC(N)=O)cc2)cn1 ZINC001304172798 1051563669 /nfs/dbraw/zinc/56/36/69/1051563669.db2.gz GTUALIHFWBBAOB-HNNXBMFYSA-N 0 0 372.454 2.903 20 10 FFCDRN C[C@](O)(C(=O)NCc1ccc(N2CCSCC2)cc1)c1ccc(F)cc1 ZINC001341234463 1051594966 /nfs/dbraw/zinc/59/49/66/1051594966.db2.gz FIVAVLFQAKTSNM-HXUWFJFHSA-N 0 0 374.481 2.903 20 10 FFCDRN CN(C)c1ccc(CN(c2ccc(C(N)=O)cc2[N+](=O)[O-])C2CC2)cc1 ZINC000749272025 1051619958 /nfs/dbraw/zinc/61/99/58/1051619958.db2.gz NMTWFVKGSVPJIL-UHFFFAOYSA-N 0 0 354.410 2.929 20 10 FFCDRN CO[C@H](c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCO1)C1CC1 ZINC001343009877 1051625594 /nfs/dbraw/zinc/62/55/94/1051625594.db2.gz IANIMINSYYVDGU-WMZOPIPTSA-N 0 0 372.469 2.897 20 10 FFCDRN C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1N)c1ccc(N2CCOCC2)cc1 ZINC000749359427 1051643172 /nfs/dbraw/zinc/64/31/72/1051643172.db2.gz RIFRKYDILAVHHX-ZDUSSCGKSA-N 0 0 370.409 2.505 20 10 FFCDRN Cc1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001304817486 1051718878 /nfs/dbraw/zinc/71/88/78/1051718878.db2.gz OAAFUCWYCMTBHZ-HZPDHXFCSA-N 0 0 355.486 2.706 20 10 FFCDRN Cc1nnc(N2CC[C@@]3(C2)CCCOC3)n1Cc1ccc(N(C)C)c(F)c1 ZINC001304831620 1051729731 /nfs/dbraw/zinc/72/97/31/1051729731.db2.gz WFBZYGKSNXISER-HXUWFJFHSA-N 0 0 373.476 2.847 20 10 FFCDRN COc1cc(N(C)CCOc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC001307472192 1052311413 /nfs/dbraw/zinc/31/14/13/1052311413.db2.gz GSHLMCDRUIREJT-UHFFFAOYSA-N 0 0 361.394 2.956 20 10 FFCDRN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001308707740 1052488957 /nfs/dbraw/zinc/48/89/57/1052488957.db2.gz PYVPSPOELUTQKH-LBPRGKRZSA-N 0 0 355.406 2.931 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)Cc3c(C)nn(CC)c3C)CC2)cc1 ZINC001343950624 1052506255 /nfs/dbraw/zinc/50/62/55/1052506255.db2.gz TWANGJNYKWAQLZ-UHFFFAOYSA-N 0 0 370.497 2.810 20 10 FFCDRN COCCn1c([C@H]2C[C@@H]2OC(C)(C)C)nnc1N(C)Cc1ccccc1O ZINC001345602933 1052532586 /nfs/dbraw/zinc/53/25/86/1052532586.db2.gz NCXACVAMQMNQFX-RDJZCZTQSA-N 0 0 374.485 2.938 20 10 FFCDRN CC(C)Cn1c(C2Sc3ncccc3C2=O)nnc1N1CCOCC1 ZINC001344100544 1052595518 /nfs/dbraw/zinc/59/55/18/1052595518.db2.gz CXBUDMPWRXXLSI-UHFFFAOYSA-N 0 0 359.455 2.753 20 10 FFCDRN CCOCCCn1c(-c2c[nH]c(C)n2)nnc1N(C)Cc1ccccc1O ZINC001346848395 1053373599 /nfs/dbraw/zinc/37/35/99/1053373599.db2.gz LTQNTBOMNFTHKB-UHFFFAOYSA-N 0 0 370.457 2.745 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cnccn1 ZINC001346905168 1053430015 /nfs/dbraw/zinc/43/00/15/1053430015.db2.gz XTTZWLWQWZQKHR-UHFFFAOYSA-N 0 0 365.231 2.676 20 10 FFCDRN CC[C@@H](CO)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1 ZINC001347186220 1053700756 /nfs/dbraw/zinc/70/07/56/1053700756.db2.gz VFRQYMVASAANTF-RDJZCZTQSA-N 0 0 374.485 2.675 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)c1ccc2c(c1)CCCO2 ZINC001347207064 1053723069 /nfs/dbraw/zinc/72/30/69/1053723069.db2.gz JAXPETBYYALWKB-CQSZACIVSA-N 0 0 368.433 2.553 20 10 FFCDRN CCCn1ncc(C(=O)NCc2cccc(Br)c2O)c1C ZINC001336457011 1054004079 /nfs/dbraw/zinc/00/40/79/1054004079.db2.gz RZVZBBZFCYENII-UHFFFAOYSA-N 0 0 352.232 3.000 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cc4c[nH]ccc-4n3)CC2)cc1 ZINC001336482461 1054019958 /nfs/dbraw/zinc/01/99/58/1054019958.db2.gz IEMWHDHAGFFOOO-UHFFFAOYSA-N 0 0 350.422 2.924 20 10 FFCDRN Cc1nc(-c2nnc(N(C)Cc3ccccc3O)n2CC(C)C)cc(=O)[nH]1 ZINC001347657371 1054198367 /nfs/dbraw/zinc/19/83/67/1054198367.db2.gz QAVRDBQEWMSQIP-UHFFFAOYSA-N 0 0 368.441 2.747 20 10 FFCDRN Nc1ccc(CNC(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)cc1 ZINC001337078728 1054463256 /nfs/dbraw/zinc/46/32/56/1054463256.db2.gz OTWFIDMRALEVAJ-KRWDZBQOSA-N 0 0 371.416 2.514 20 10 FFCDRN Cc1ccnc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC001347956244 1054499636 /nfs/dbraw/zinc/49/96/36/1054499636.db2.gz GCHFZTWOLGIXMY-UHFFFAOYSA-N 0 0 352.438 2.586 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)c2nnnn2C)c(C)n1-c1cccc(Cl)c1 ZINC001337433666 1054748778 /nfs/dbraw/zinc/74/87/78/1054748778.db2.gz GUYONZFIMZNNQQ-LLVKDONJSA-N 0 0 358.833 2.762 20 10 FFCDRN Cc1ccc(/C=C/C(=O)N2CCCc3cccc(S(C)(=O)=O)c32)cn1 ZINC001337460251 1054772134 /nfs/dbraw/zinc/77/21/34/1054772134.db2.gz IUFJKEOWBDUKDM-ZHACJKMWSA-N 0 0 356.447 2.786 20 10 FFCDRN CCc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)nn1C ZINC001337548577 1054838508 /nfs/dbraw/zinc/83/85/08/1054838508.db2.gz NDLVCYWLJFIPGB-IBGZPJMESA-N 0 0 370.497 2.870 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3ccc(F)c(N)c3)CC2)c(OC)c1 ZINC001351971517 1055093934 /nfs/dbraw/zinc/09/39/34/1055093934.db2.gz ILPYKAGYLBQKQX-UHFFFAOYSA-N 0 0 374.416 2.779 20 10 FFCDRN Cc1cc(CC(=O)NC[C@H](O)c2c[nH]cn2)c(C)n1-c1ccc(Cl)cc1 ZINC001349185629 1055135986 /nfs/dbraw/zinc/13/59/86/1055135986.db2.gz RPCOPLYMZXXFLA-SFHVURJKSA-N 0 0 372.856 2.863 20 10 FFCDRN CCc1cccc(CNc2cccc(CC(=O)N3CCN(C)CC3)c2)c1O ZINC000848891843 1055311611 /nfs/dbraw/zinc/31/16/11/1055311611.db2.gz ZYXYEZNAXRMMSU-UHFFFAOYSA-N 0 0 367.493 2.883 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CC[C@@H](Cc2cnn(C)c2)C1 ZINC001352323451 1055367211 /nfs/dbraw/zinc/36/72/11/1055367211.db2.gz XTAFEUMKJCWWHF-LBPRGKRZSA-N 0 0 358.471 2.535 20 10 FFCDRN COC(=O)[C@H](NCc1cc(C)cc(OC)c1O)[C@H]1CCC[C@H](OC)C1 ZINC001338272981 1055378108 /nfs/dbraw/zinc/37/81/08/1055378108.db2.gz DCTYMAZHPMUMNR-JLJPHGGASA-N 0 0 351.443 2.546 20 10 FFCDRN O=C(NCc1noc2ccccc21)NCc1ccc(N2CCOCC2)cc1 ZINC000847294403 1055408959 /nfs/dbraw/zinc/40/89/59/1055408959.db2.gz BTPDOYIONNMUJZ-UHFFFAOYSA-N 0 0 366.421 2.664 20 10 FFCDRN CCCCCNC(=S)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001200055872 1055540008 /nfs/dbraw/zinc/54/00/08/1055540008.db2.gz UEXLPIGMBMXWGM-UHFFFAOYSA-N 0 0 351.516 2.891 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC12CC(OCC)C2 ZINC001352814750 1055819139 /nfs/dbraw/zinc/81/91/39/1055819139.db2.gz OBJCTXOYNCDJCZ-NCYVPVAZSA-N 0 0 374.481 2.595 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(CC1CC1)CC1CC1 ZINC001350585031 1055846185 /nfs/dbraw/zinc/84/61/85/1055846185.db2.gz ZHOIFEXRXGSPNI-INIZCTEOSA-N 0 0 371.525 2.757 20 10 FFCDRN CO[C@H]1C[C@H](CNC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)C1 ZINC001338882068 1055901004 /nfs/dbraw/zinc/90/10/04/1055901004.db2.gz HVFSGUJIWXNNFR-RZDIXWSQSA-N 0 0 374.481 2.595 20 10 FFCDRN Nc1ccc(CNC(=O)NCc2cccc(COC[C@@H]3CCCO3)c2)cc1 ZINC001357516552 1055930150 /nfs/dbraw/zinc/93/01/50/1055930150.db2.gz CUQCUNPKKALDOU-FQEVSTJZSA-N 0 0 369.465 2.964 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cncc4[nH]ccc43)CC2)cc1 ZINC001339085239 1056079290 /nfs/dbraw/zinc/07/92/90/1056079290.db2.gz BQKIJNIDDZMLIT-UHFFFAOYSA-N 0 0 350.422 2.924 20 10 FFCDRN CCc1ccccc1-n1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)nn1 ZINC001358004096 1056097484 /nfs/dbraw/zinc/09/74/84/1056097484.db2.gz MZZMTIXLPNHOHU-UHFFFAOYSA-N 0 0 367.428 2.965 20 10 FFCDRN C[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC001358184025 1056181297 /nfs/dbraw/zinc/18/12/97/1056181297.db2.gz LVCVREDLLNUEMP-XFBWCDHKSA-N 0 0 371.441 2.520 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(C(F)F)no1 ZINC001351465297 1056274904 /nfs/dbraw/zinc/27/49/04/1056274904.db2.gz HBBGBWGTBUPMJI-UHFFFAOYSA-N 0 0 353.373 2.805 20 10 FFCDRN CCn1c(N(C)Cc2ccccc2O)nnc1[C@@](C)(CO)c1ccccc1 ZINC001339473721 1056488865 /nfs/dbraw/zinc/48/88/65/1056488865.db2.gz HKAQBXPSLHQCPA-NRFANRHFSA-N 0 0 366.465 2.938 20 10 FFCDRN CCn1c([C@H](O)c2cccc(OC)c2)nnc1N(C)Cc1ccccc1O ZINC001353715802 1056665993 /nfs/dbraw/zinc/66/59/93/1056665993.db2.gz ODOKGJBUFJQKSH-GOSISDBHSA-N 0 0 368.437 2.730 20 10 FFCDRN COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](C4CCCCC4)C3=O)C2)cc1 ZINC000849358284 1056841153 /nfs/dbraw/zinc/84/11/53/1056841153.db2.gz URWSPHVSLAUIHF-AEFFLSMTSA-N 0 0 357.454 2.775 20 10 FFCDRN COc1ccc(N2CC[C@@H](N3C(=O)NC4(CCCCCC4)C3=O)C2)cc1 ZINC000849358554 1056842573 /nfs/dbraw/zinc/84/25/73/1056842573.db2.gz YECQBPIQMGFXJK-MRXNPFEDSA-N 0 0 357.454 2.919 20 10 FFCDRN CCn1c(CN(C)Cc2ccccn2)nnc1N(C)Cc1ccccc1O ZINC001353760094 1058183881 /nfs/dbraw/zinc/18/38/81/1058183881.db2.gz HRZIQFPEQNNZFX-UHFFFAOYSA-N 0 0 366.469 2.667 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)c(OC)c1 ZINC001353777263 1058206892 /nfs/dbraw/zinc/20/68/92/1058206892.db2.gz IVUKVUQCZWTBNB-HNNXBMFYSA-N 0 0 362.470 2.558 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCN1CCSCC1 ZINC001443753483 1058238307 /nfs/dbraw/zinc/23/83/07/1058238307.db2.gz PITZTZZZEVADOD-UHFFFAOYSA-N 0 0 371.506 2.685 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1coc(Sc2ncccn2)n1 ZINC001443811629 1058246179 /nfs/dbraw/zinc/24/61/79/1058246179.db2.gz GVTHVHIOWZZRQL-UHFFFAOYSA-N 0 0 369.450 2.920 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001353919723 1058376816 /nfs/dbraw/zinc/37/68/16/1058376816.db2.gz DMAZBQTYHACOKT-CVEARBPZSA-N 0 0 372.387 2.592 20 10 FFCDRN O=C(Nc1cncnc1N1CCCC1)c1cc2cc(O)c(O)cc2s1 ZINC001445654580 1058428071 /nfs/dbraw/zinc/42/80/71/1058428071.db2.gz NHOZXOBVMASVTB-UHFFFAOYSA-N 0 0 356.407 2.955 20 10 FFCDRN COc1cccc(OC(F)(F)F)c1C(=O)NCc1ccc(O)c(O)c1 ZINC001445899595 1058454277 /nfs/dbraw/zinc/45/42/77/1058454277.db2.gz GZXUPAZLVQXXFI-UHFFFAOYSA-N 0 0 357.284 2.935 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc2cncc(Br)c2n1 ZINC001445899606 1058455336 /nfs/dbraw/zinc/45/53/36/1058455336.db2.gz HBFAYGQEFKCPOB-UHFFFAOYSA-N 0 0 374.194 2.734 20 10 FFCDRN CO[C@@H]1CCN(c2nnc(C(C)C)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001519476120 1058772681 /nfs/dbraw/zinc/77/26/81/1058772681.db2.gz YSAFXMOHHQCBAP-OAHLLOKOSA-N 0 0 361.465 2.880 20 10 FFCDRN CO[C@@H]1CC[C@@H]2CN(c3nnc(C)n3Cc3ccc(N(C)C)cc3C)C[C@H]12 ZINC001519482338 1058777987 /nfs/dbraw/zinc/77/79/87/1058777987.db2.gz UCHGFVKSNXMHMK-YZGWKJHDSA-N 0 0 369.513 2.870 20 10 FFCDRN CON(C)C(=O)c1cc(F)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001449166142 1058868664 /nfs/dbraw/zinc/86/86/64/1058868664.db2.gz PWBJIPCZGNCIPC-UHFFFAOYSA-N 0 0 373.344 2.874 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1C[C@@H](C)OC[C@H]1C ZINC001300610063 1058986388 /nfs/dbraw/zinc/98/63/88/1058986388.db2.gz DZBNTWLSITYMTP-HZPDHXFCSA-N 0 0 361.511 2.995 20 10 FFCDRN Fc1ccc(NC(=S)NCc2cc(OC3COC3)ccn2)cc1F ZINC001200702963 1059147170 /nfs/dbraw/zinc/14/71/70/1059147170.db2.gz XCPWDGRDWJWOSH-UHFFFAOYSA-N 0 0 351.378 2.624 20 10 FFCDRN CC(C)(C)CN(CC(=O)OC(C)(C)C)C(=O)Cc1ccc(O)c(O)c1 ZINC001453961574 1059426534 /nfs/dbraw/zinc/42/65/34/1059426534.db2.gz OQQLSGCJSXDQFI-UHFFFAOYSA-N 0 0 351.443 2.857 20 10 FFCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CCOCC2(CCC2)C1 ZINC001520149106 1059428396 /nfs/dbraw/zinc/42/83/96/1059428396.db2.gz KIFNBMCPWWOILV-UHFFFAOYSA-N 0 0 371.466 2.804 20 10 FFCDRN COc1c(C)[nH]cc(CN(C)C(=O)c2cc3cc(O)c(O)cc3s2)c1=O ZINC001454289053 1059490457 /nfs/dbraw/zinc/49/04/57/1059490457.db2.gz SFHLYFOOAOQVKC-UHFFFAOYSA-N 0 0 374.418 2.590 20 10 FFCDRN Nc1ccc(CNC(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 ZINC001515332624 1059566924 /nfs/dbraw/zinc/56/69/24/1059566924.db2.gz KZXGUJUWWWHQSY-UHFFFAOYSA-N 0 0 352.438 2.829 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001455171851 1059716223 /nfs/dbraw/zinc/71/62/23/1059716223.db2.gz UKVAFZYPDZSJME-WKILWMFISA-N 0 0 360.479 2.708 20 10 FFCDRN C/C(=C\c1cccnc1)C(=O)N1CCCc2cccc(S(C)(=O)=O)c21 ZINC001354997395 1059749685 /nfs/dbraw/zinc/74/96/85/1059749685.db2.gz ZPZJTWIHHYIOJM-WYMLVPIESA-N 0 0 356.447 2.868 20 10 FFCDRN CCCNC(=O)[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC001355034613 1059803509 /nfs/dbraw/zinc/80/35/09/1059803509.db2.gz PYPNFKFQHOCYEN-AWEZNQCLSA-N 0 0 359.470 2.549 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1C(F)F ZINC001520760785 1060045550 /nfs/dbraw/zinc/04/55/50/1060045550.db2.gz HOBMPFGBGNSILB-INIZCTEOSA-N 0 0 371.403 2.726 20 10 FFCDRN CCOC[C@@H]1CCN(c2nnc(C)n2Cc2ccc3c(c2)CCCN3C)C1 ZINC001516654366 1060176234 /nfs/dbraw/zinc/17/62/34/1060176234.db2.gz XKGMZNHFBZRZJU-GOSISDBHSA-N 0 0 369.513 2.880 20 10 FFCDRN CCOCCN(CC)c1nnc(C)n1Cc1ccc2c(c1)CCCN2C ZINC001516721075 1060202030 /nfs/dbraw/zinc/20/20/30/1060202030.db2.gz ZWBOFFLRMIUITD-UHFFFAOYSA-N 0 0 357.502 2.880 20 10 FFCDRN OC1CCN(c2ccc(CNCc3cc4n(n3)CCCC4)cc2F)CC1 ZINC000848530337 1060225741 /nfs/dbraw/zinc/22/57/41/1060225741.db2.gz ZLBWCEFFGFHHMI-UHFFFAOYSA-N 0 0 358.461 2.609 20 10 FFCDRN COC(=O)Cc1ccccc1C[NH2+][C@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000848572900 1060296995 /nfs/dbraw/zinc/29/69/95/1060296995.db2.gz MYOZTGGNHKPVQK-CYBMUJFWSA-N 0 0 357.406 2.745 20 10 FFCDRN CN(C)c1ccc(Cn2c([C@@H]3CCOC3)nnc2N(C)CC2CC2)cc1F ZINC001517004077 1060299281 /nfs/dbraw/zinc/29/92/81/1060299281.db2.gz VYCNLQSGKUIFCV-MRXNPFEDSA-N 0 0 373.476 2.882 20 10 FFCDRN Cc1nnc(N2CCO[C@H](C(C)C)C2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001511899513 1060464376 /nfs/dbraw/zinc/46/43/76/1060464376.db2.gz OIJNTJKOHASDKN-SFHVURJKSA-N 0 0 361.465 2.701 20 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/nfs/dbraw/zinc/19/87/81/1061198781.db2.gz SSFYLHLAKWEJNR-UHFFFAOYSA-N 0 0 370.335 2.580 20 10 FFCDRN CC1(C)NC(=O)N(CCC[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C1=O ZINC001461825766 1061416408 /nfs/dbraw/zinc/41/64/08/1061416408.db2.gz MBXLTIUBQJRLMK-UHFFFAOYSA-N 0 0 360.241 2.509 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H](CCCO)c1ccccc1 ZINC001527482811 1061512872 /nfs/dbraw/zinc/51/28/72/1061512872.db2.gz KFHJXPDMLZUQEO-NRFANRHFSA-N 0 0 368.477 2.696 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCC[C@H]1C(F)F ZINC001527715162 1061593788 /nfs/dbraw/zinc/59/37/88/1061593788.db2.gz FERAYBWZRLOFNI-INIZCTEOSA-N 0 0 353.413 2.587 20 10 FFCDRN CCOC(=O)CN(Cc1cc(C(=O)OC)c(CC)[nH]1)Cc1ccccc1O ZINC001462365006 1061593961 /nfs/dbraw/zinc/59/39/61/1061593961.db2.gz DYZRQMWQBPVLSW-UHFFFAOYSA-N 0 0 374.437 2.635 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)Nc3nc(C(N)=O)cs3)cc2)CC1 ZINC001477218192 1061630411 /nfs/dbraw/zinc/63/04/11/1061630411.db2.gz BBAJGGYHZAMPEG-UHFFFAOYSA-N 0 0 373.482 2.800 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cccc3nonc32)cc1 ZINC001462858054 1061809310 /nfs/dbraw/zinc/80/93/10/1061809310.db2.gz OVIMLZVMTZVIFB-UHFFFAOYSA-N 0 0 360.439 2.548 20 10 FFCDRN O=C(NCc1cccc(O)c1O)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC001528771802 1062041127 /nfs/dbraw/zinc/04/11/27/1062041127.db2.gz ZJXRQKVFLIIIHY-UHFFFAOYSA-N 0 0 369.417 2.997 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCC1([S@](C)=O)CCC1 ZINC001478538443 1062045110 /nfs/dbraw/zinc/04/51/10/1062045110.db2.gz RIKDPETZJNMYTQ-VWLOTQADSA-N 0 0 363.527 2.729 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)n1ccc(C(F)(F)F)n1 ZINC001434914635 1062352503 /nfs/dbraw/zinc/35/25/03/1062352503.db2.gz JSELMCJMFWWCKD-JTQLQIEISA-N 0 0 358.339 2.984 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc(Br)cnc2F)cc1 ZINC001523212420 1062402100 /nfs/dbraw/zinc/40/21/00/1062402100.db2.gz VVCQBWAHUXOPFS-UHFFFAOYSA-N 0 0 352.207 2.979 20 10 FFCDRN Cc1cc(COCC(=O)Nc2c(-c3ccccn3)nc3ccccn32)no1 ZINC001435415318 1062472650 /nfs/dbraw/zinc/47/26/50/1062472650.db2.gz NVVLFDUKIYWMCS-UHFFFAOYSA-N 0 0 363.377 2.848 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CNC(=O)c2ccccc21 ZINC001523559522 1062519450 /nfs/dbraw/zinc/51/94/50/1062519450.db2.gz MLFMLEDTUPIEJA-FQEVSTJZSA-N 0 0 363.461 2.772 20 10 FFCDRN Cc1ccc(F)c(N)c1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001464308911 1062538540 /nfs/dbraw/zinc/53/85/40/1062538540.db2.gz QIWNJZWKUFVNGG-UHFFFAOYSA-N 0 0 361.392 2.622 20 10 FFCDRN CC1(C)Cc2cc(S(=O)(=O)NCc3c(O)cccc3F)ccc2O1 ZINC001464599558 1062706545 /nfs/dbraw/zinc/70/65/45/1062706545.db2.gz SFRBAQURHXKAFX-UHFFFAOYSA-N 0 0 351.399 2.723 20 10 FFCDRN Cc1cc(CC(=O)N[C@H](C(N)=O)c2ccccc2)c(C)n1-c1ccccc1 ZINC001524151763 1062735638 /nfs/dbraw/zinc/73/56/38/1062735638.db2.gz BEDHMKPZUJGHJC-NRFANRHFSA-N 0 0 361.445 2.979 20 10 FFCDRN Cc1ccc2c(c1)C(=O)O[C@](C)(C(=O)NCc1ccc(N(C)C)cc1)C2 ZINC001531321879 1062742087 /nfs/dbraw/zinc/74/20/87/1062742087.db2.gz SCOSNVDYMOJNTF-NRFANRHFSA-N 0 0 352.434 2.849 20 10 FFCDRN COc1cc(OC)nc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001531621534 1062828521 /nfs/dbraw/zinc/82/85/21/1062828521.db2.gz ODDYRAUOXCXLKF-UHFFFAOYSA-N 0 0 366.421 2.831 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccn4c3nc(C)cc4C)C2)cc1 ZINC001532105378 1062977909 /nfs/dbraw/zinc/97/79/09/1062977909.db2.gz LTVOBJAWZUFECM-INIZCTEOSA-N 0 0 364.449 2.968 20 10 FFCDRN COc1coc(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc1=O ZINC001438306952 1062982274 /nfs/dbraw/zinc/98/22/74/1062982274.db2.gz VZWZYHCWKZEUJZ-UHFFFAOYSA-N 0 0 352.390 2.986 20 10 FFCDRN COC(=O)[C@@H]1O[C@@H](C(=O)NCc2cc(C)n(-c3ccccc3)c2C)C[C@H]1C ZINC001438307930 1062982834 /nfs/dbraw/zinc/98/28/34/1062982834.db2.gz ZMLUGSFDOXQDIL-UPRAQXHNSA-N 0 0 370.449 2.677 20 10 FFCDRN O=C(NCc1c(O)cccc1F)Nc1cccn(CC(F)(F)F)c1=O ZINC001465912659 1063259890 /nfs/dbraw/zinc/25/98/90/1063259890.db2.gz LZVIBIKNOZWSRK-UHFFFAOYSA-N 0 0 359.279 2.577 20 10 FFCDRN CC(C)(C)OC(=O)c1ccc(/C=C\C(=O)NCc2ccc(O)c(O)c2)o1 ZINC001465954142 1063277708 /nfs/dbraw/zinc/27/77/08/1063277708.db2.gz NBEAPCJUVMQQNQ-TWGQIWQCSA-N 0 0 359.378 2.976 20 10 FFCDRN COc1ccc([C@H](CO)N(C)C(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001466469643 1063448099 /nfs/dbraw/zinc/44/80/99/1063448099.db2.gz CRSXQXKTRMBROX-INIZCTEOSA-N 0 0 356.382 2.663 20 10 FFCDRN CC[C@H](C)C(=O)Nc1cccc(CNC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001441599878 1063456774 /nfs/dbraw/zinc/45/67/74/1063456774.db2.gz FGYRPSRCKZZGKE-ZDUSSCGKSA-N 0 0 356.422 2.941 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@]3(C)OCCc4ccccc43)CC2)cc1 ZINC001534016284 1063474255 /nfs/dbraw/zinc/47/42/55/1063474255.db2.gz AOVFECHXWXAVBB-JOCHJYFZSA-N 0 0 366.461 2.832 20 10 FFCDRN COc1cc(CCC(=O)Nc2c(-c3ccccn3)nc3ccccn32)on1 ZINC001534043554 1063480964 /nfs/dbraw/zinc/48/09/64/1063480964.db2.gz PGHXYBZUSRPMSY-UHFFFAOYSA-N 0 0 363.377 2.964 20 10 FFCDRN CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(O)c1O ZINC001442107298 1063500525 /nfs/dbraw/zinc/50/05/25/1063500525.db2.gz VPLYPVIDJCIAMG-UHFFFAOYSA-N 0 0 353.378 2.797 20 10 FFCDRN COc1ccc(CNC(=O)c2nc(C)ccc2Br)c(O)c1 ZINC001467470237 1063756189 /nfs/dbraw/zinc/75/61/89/1063756189.db2.gz IGXZVKQZHHNJBE-UHFFFAOYSA-N 0 0 351.200 2.797 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(Cn2ccccc2=O)o1 ZINC001467840697 1063864639 /nfs/dbraw/zinc/86/46/39/1063864639.db2.gz POVYNRFLXGTZOX-UHFFFAOYSA-N 0 0 373.405 2.611 20 10 FFCDRN CN(C)C(=O)OC[C@H]1CCCCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001467870338 1063872725 /nfs/dbraw/zinc/87/27/25/1063872725.db2.gz OSLHUPPVJSGJGE-CQSZACIVSA-N 0 0 361.402 2.542 20 10 FFCDRN CC(=O)Nc1cc(NC(C)=O)cc(C(=O)NCc2cc(C)ccc2O)c1 ZINC001470253867 1064288391 /nfs/dbraw/zinc/28/83/91/1064288391.db2.gz AIJDPXFXVCIDON-UHFFFAOYSA-N 0 0 355.394 2.547 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC001546181935 1064410640 /nfs/dbraw/zinc/41/06/40/1064410640.db2.gz OAIKPEJOSDMFDM-UHFFFAOYSA-N 0 0 367.401 2.727 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCC(=O)c1cccc(Cl)c1Cl ZINC001471104962 1064559857 /nfs/dbraw/zinc/55/98/57/1064559857.db2.gz XTLRILKPADEUCJ-UHFFFAOYSA-N 0 0 354.189 2.946 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(Cc2ncon2)CC1 ZINC001471969491 1064873176 /nfs/dbraw/zinc/87/31/76/1064873176.db2.gz HAABLACEBUIFPC-UHFFFAOYSA-N 0 0 359.407 2.790 20 10 FFCDRN O=C(NCc1c(O)cccc1F)[C@H]1Cc2cc(Br)ccc2O1 ZINC001471976371 1064876011 /nfs/dbraw/zinc/87/60/11/1064876011.db2.gz XMZYXNXDZLCBSV-OAHLLOKOSA-N 0 0 366.186 2.914 20 10 FFCDRN C[C@]12CCC(=O)N1[C@@H](C(=O)NCc1c(O)ccc3ccccc31)CS2 ZINC001472085946 1064925899 /nfs/dbraw/zinc/92/58/99/1064925899.db2.gz FQHINWIYOWHKRW-BEFAXECRSA-N 0 0 356.447 2.616 20 10 FFCDRN COC(=O)[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)CC1CCCC1 ZINC001472284993 1065001510 /nfs/dbraw/zinc/00/15/10/1065001510.db2.gz OEMATNXGTLVQFC-CQSZACIVSA-N 0 0 360.414 2.948 20 10 FFCDRN CN(C[C@H](O)c1cccc(Br)c1)C(=O)c1cccc(O)c1O ZINC001472578831 1065101341 /nfs/dbraw/zinc/10/13/41/1065101341.db2.gz VWKBDLKJYFIEMQ-AWEZNQCLSA-N 0 0 366.211 2.666 20 10 FFCDRN C[C@@H](CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001472657789 1065123274 /nfs/dbraw/zinc/12/32/74/1065123274.db2.gz GDTCZUDFOVCCSA-HNNXBMFYSA-N 0 0 369.421 2.958 20 10 FFCDRN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nc(C(F)(F)F)n[nH]1 ZINC001474724566 1065591551 /nfs/dbraw/zinc/59/15/51/1065591551.db2.gz SRCYWJZSXLBNFE-NSHDSACASA-N 0 0 369.391 2.635 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc3ccn(C)c32)c1 ZINC001475008849 1065671640 /nfs/dbraw/zinc/67/16/40/1065671640.db2.gz JKPDRPGVMNBEFQ-LBPRGKRZSA-N 0 0 360.435 2.932 20 10 FFCDRN Cc1cc(CNC(=O)CCOCc2cn[nH]n2)c(C)n1-c1cccc(C)c1 ZINC001577416134 1078354845 /nfs/dbraw/zinc/35/48/45/1078354845.db2.gz MXYHHSSLLBITDX-UHFFFAOYSA-N 0 0 367.453 2.744 20 10 FFCDRN COc1ccc2c(c1)C=C(S(=O)(=O)NCCc1ccc(N)cc1)CC2 ZINC001579245702 1078601036 /nfs/dbraw/zinc/60/10/36/1078601036.db2.gz YZGQIRCKXGQWBS-UHFFFAOYSA-N 0 0 358.463 2.727 20 10 FFCDRN NC(=O)c1ccc(NC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1 ZINC001580101792 1078749814 /nfs/dbraw/zinc/74/98/14/1078749814.db2.gz FAZHVXQMBSZDEP-UHFFFAOYSA-N 0 0 352.419 2.667 20 10 FFCDRN COC(=O)c1ccc(/C=C\C(=O)NCc2ccc3c(c2)CCCN3C)o1 ZINC001583628363 1079242926 /nfs/dbraw/zinc/24/29/26/1079242926.db2.gz UYANCGRMZPSRQX-YFHOEESVSA-N 0 0 354.406 2.778 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3oc4ccccc4c3CO)C2)cc1 ZINC001584230128 1079325821 /nfs/dbraw/zinc/32/58/21/1079325821.db2.gz OBDQCAANVSQHKO-CQSZACIVSA-N 0 0 366.417 2.942 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2csc(I)n2)c1 ZINC001584983088 1079411376 /nfs/dbraw/zinc/41/13/76/1079411376.db2.gz BZZUHGJAAXXMGO-UHFFFAOYSA-N 0 0 374.203 2.692 20 10 FFCDRN CCc1c(C(=O)NCc2ccc(O)cc2O)cnn1Cc1ccccc1 ZINC001557084913 1075806194 /nfs/dbraw/zinc/80/61/94/1075806194.db2.gz SYEKHAUMNZZLDR-UHFFFAOYSA-N 0 0 351.406 2.835 20 10 FFCDRN C[C@@H]1CCN(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)C1 ZINC001557275947 1075831913 /nfs/dbraw/zinc/83/19/13/1075831913.db2.gz QWDOARBHXKLGHO-CQSZACIVSA-N 0 0 357.420 2.985 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2cc(NC(=O)OC(C)(C)C)n(C)n2)c1 ZINC001557553670 1075861430 /nfs/dbraw/zinc/86/14/30/1075861430.db2.gz YMQQXBMIZQARMI-UHFFFAOYSA-N 0 0 360.414 2.711 20 10 FFCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC001558455459 1076009887 /nfs/dbraw/zinc/00/98/87/1076009887.db2.gz UOVWQOHFOGWYKB-CYBMUJFWSA-N 0 0 362.788 2.854 20 10 FFCDRN CN(C)c1noc(CNc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)n1 ZINC001559172024 1076131680 /nfs/dbraw/zinc/13/16/80/1076131680.db2.gz ODNOZJXNJIIKRA-UHFFFAOYSA-N 0 0 367.365 2.887 20 10 FFCDRN C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cc(F)cc(F)c2[O-])CC1 ZINC001560651782 1076288181 /nfs/dbraw/zinc/28/81/81/1076288181.db2.gz UKDRUSBRMLPSJL-GASCZTMLSA-N 0 0 353.457 2.661 20 10 FFCDRN C[C@@H](NS(=O)(=O)C[C@@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC001561837862 1076431760 /nfs/dbraw/zinc/43/17/60/1076431760.db2.gz FAEYWSWTBPANOG-SUNKGSAMSA-N 0 0 367.389 2.873 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cccc(-c3cn(C)nn3)c2)cc1 ZINC001563087075 1076516316 /nfs/dbraw/zinc/51/63/16/1076516316.db2.gz ZYVLLYTVCSBPIK-UHFFFAOYSA-N 0 0 350.426 2.870 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccc3c(=O)cc[nH]c3c2)cc1 ZINC001563610361 1076570089 /nfs/dbraw/zinc/57/00/89/1076570089.db2.gz QYGNWPNPSMKYCO-UHFFFAOYSA-N 0 0 350.422 2.594 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCc1c(C)[nH][nH]c1=O ZINC001565611537 1076746553 /nfs/dbraw/zinc/74/65/53/1076746553.db2.gz JDPLZXHWQLVMOH-INIZCTEOSA-N 0 0 352.438 2.644 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccnc(-c3ccccn3)n2)c1 ZINC001566374509 1076952983 /nfs/dbraw/zinc/95/29/83/1076952983.db2.gz LRJPMWNVXDBXIT-GFCCVEGCSA-N 0 0 350.378 2.744 20 10 FFCDRN C[C@@H](CNC(=O)OC(C)(C)C)CNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001566678253 1076974238 /nfs/dbraw/zinc/97/42/38/1076974238.db2.gz KANKTBSGAQNVJE-LLVKDONJSA-N 0 0 363.418 2.740 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(Br)cc1N ZINC001567467991 1077030947 /nfs/dbraw/zinc/03/09/47/1077030947.db2.gz XJEXKVOXIVFZKX-SECBINFHSA-N 0 0 365.227 2.804 20 10 FFCDRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569453551 1077146235 /nfs/dbraw/zinc/14/62/35/1077146235.db2.gz LMMBDEOONJAHEN-QWRGUYRKSA-N 0 0 363.418 2.881 20 10 FFCDRN CC(=O)N/C(=C/c1ccccc1)C(=O)NCc1ccc2cccnc2c1O ZINC001570531284 1077213496 /nfs/dbraw/zinc/21/34/96/1077213496.db2.gz BLBHHLQLSVFOHG-LDADJPATSA-N 0 0 361.401 2.734 20 10 FFCDRN COc1cccc(C[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1O ZINC001574231879 1077934021 /nfs/dbraw/zinc/93/40/21/1077934021.db2.gz JSFMMYDECAHUCZ-AWEZNQCLSA-N 0 0 360.410 2.585 20 10 FFCDRN Cc1cc(CC(=O)N(C)[C@H](C)CN2CCOCC2)c(C)n1-c1ccccc1 ZINC001586487992 1079638015 /nfs/dbraw/zinc/63/80/15/1079638015.db2.gz OIDNURFIXKJQPJ-GOSISDBHSA-N 0 0 369.509 2.816 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC001586832888 1079692607 /nfs/dbraw/zinc/69/26/07/1079692607.db2.gz YFXLJNZZZYQOLC-UEDWGHLCSA-N 0 0 352.434 2.571 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1ccc(C(N)=O)o1 ZINC001587459366 1079794783 /nfs/dbraw/zinc/79/47/83/1079794783.db2.gz XTWJSXSMNBLYNZ-UHFFFAOYSA-N 0 0 365.389 2.529 20 10 FFCDRN CC(C)(C)n1cc(-c2nn[nH]n2)cc1NC(=O)N1Cc2cccc(O)c2C1 ZINC001589254543 1080449391 /nfs/dbraw/zinc/44/93/91/1080449391.db2.gz PHCKDWJRHOOINA-UHFFFAOYSA-N 0 0 367.413 2.677 20 10 FFCDRN C[C@@H](NC(=O)c1ccc(F)c(-c2nn[nH]n2)c1)c1ccc(N(C)C)cc1 ZINC001589945356 1080888339 /nfs/dbraw/zinc/88/83/39/1080888339.db2.gz SUWKXRCZAZQSLK-LLVKDONJSA-N 0 0 354.389 2.563 20 10 FFCDRN Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000041374260 136120937 /nfs/dbraw/zinc/12/09/37/136120937.db2.gz RNZHPVJIKQZGAF-UHFFFAOYSA-N 0 0 350.415 2.772 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc(NC(N)=O)cc3)CC2)cc1 ZINC000373028828 512139773 /nfs/dbraw/zinc/13/97/73/512139773.db2.gz LBUNCRRQOPJUSA-UHFFFAOYSA-N 0 0 368.437 2.538 20 10 FFCDRN Cc1cc(C(=O)NCCS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000065784984 506365446 /nfs/dbraw/zinc/36/54/46/506365446.db2.gz BLIPYPAFIBDBQI-UHFFFAOYSA-N 0 0 354.859 2.522 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](n4cncn4)C3)c2C)cc1 ZINC000375331502 512271145 /nfs/dbraw/zinc/27/11/45/512271145.db2.gz KLTGNQSNQAPLAE-KRWDZBQOSA-N 0 0 365.437 2.781 20 10 FFCDRN COc1ccc(N2CCCN(Cc3nc(N)c4ccccc4n3)CC2)cc1 ZINC000053774152 506442158 /nfs/dbraw/zinc/44/21/58/506442158.db2.gz OAWFZVLSMQIINL-UHFFFAOYSA-N 0 0 363.465 2.933 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000054284836 506529867 /nfs/dbraw/zinc/52/98/67/506529867.db2.gz AJHATPBEHZPQQM-IBGZPJMESA-N 0 0 372.852 2.797 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CCCN(C(=O)c2ccccc2)C1 ZINC000066621468 506582122 /nfs/dbraw/zinc/58/21/22/506582122.db2.gz MMVXOKFQQIKDNH-SFHVURJKSA-N 0 0 352.434 2.903 20 10 FFCDRN COCc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000054787110 506622347 /nfs/dbraw/zinc/62/23/47/506622347.db2.gz OKPPSYVPFLDYLA-UHFFFAOYSA-N 0 0 369.465 2.669 20 10 FFCDRN NC(=O)c1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000042903900 506679103 /nfs/dbraw/zinc/67/91/03/506679103.db2.gz VZRGOYCJMYXXDS-QGZVFWFLSA-N 0 0 369.421 2.704 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1csc([N+](=O)[O-])c1 ZINC000055524487 506770228 /nfs/dbraw/zinc/77/02/28/506770228.db2.gz KWAWFXAQXFAECL-UHFFFAOYSA-N 0 0 365.386 2.562 20 10 FFCDRN Cc1noc(C)c1C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000055530577 506771396 /nfs/dbraw/zinc/77/13/96/506771396.db2.gz SNQBILIILPDKRJ-VXGBXAGGSA-N 0 0 361.417 2.974 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc(N(C)C)nc3)CC2)cc1 ZINC000055878354 506874438 /nfs/dbraw/zinc/87/44/38/506874438.db2.gz KJCQZENOUSYDHT-UHFFFAOYSA-N 0 0 354.454 2.509 20 10 FFCDRN CCOc1ccccc1OCC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000056198772 506960197 /nfs/dbraw/zinc/96/01/97/506960197.db2.gz MTXLYXLVBXSOMI-UHFFFAOYSA-N 0 0 370.449 2.617 20 10 FFCDRN CCONC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000068063082 507097677 /nfs/dbraw/zinc/09/76/77/507097677.db2.gz KYZIJQACOOSKDT-LUAWRHEFSA-N 0 0 356.494 2.797 20 10 FFCDRN COc1cc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc(OC)c1OC ZINC000018150468 507140724 /nfs/dbraw/zinc/14/07/24/507140724.db2.gz OGCFNCQOYKFDJZ-UHFFFAOYSA-N 0 0 372.465 2.980 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)cc1 ZINC000046954866 507234385 /nfs/dbraw/zinc/23/43/85/507234385.db2.gz NJJFEGDLMGDAHW-HNNXBMFYSA-N 0 0 372.435 2.778 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](NC(=O)c2cccs2)C(C)C)c1O ZINC000068488474 507249023 /nfs/dbraw/zinc/24/90/23/507249023.db2.gz IGRKKRSNKFYIDJ-OAHLLOKOSA-N 0 0 362.451 2.533 20 10 FFCDRN COc1cccc(CNC(=O)CCc2nnc(-c3ccsc3)o2)c1O ZINC000068489218 507249168 /nfs/dbraw/zinc/24/91/68/507249168.db2.gz JBKZLAXAZUMBRJ-UHFFFAOYSA-N 0 0 359.407 2.761 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccnc3)cc2F)C[C@@H](C)O1 ZINC000057422855 507261671 /nfs/dbraw/zinc/26/16/71/507261671.db2.gz MFFOGVPPHVKXNJ-HUUCEWRRSA-N 0 0 372.444 2.834 20 10 FFCDRN Cc1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cn1 ZINC000057512374 507283694 /nfs/dbraw/zinc/28/36/94/507283694.db2.gz HWDOQMNNIZIQEE-GOSISDBHSA-N 0 0 354.454 2.672 20 10 FFCDRN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000047215277 507285824 /nfs/dbraw/zinc/28/58/24/507285824.db2.gz AHIRAQUHVLZNEE-UHFFFAOYSA-N 0 0 368.480 2.948 20 10 FFCDRN CCOC(=O)N1CCC(NC(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000047958964 507423952 /nfs/dbraw/zinc/42/39/52/507423952.db2.gz YQLBNBWQORZQHE-UHFFFAOYSA-N 0 0 374.485 2.707 20 10 FFCDRN CC(=O)Nc1cccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000058562352 507438437 /nfs/dbraw/zinc/43/84/37/507438437.db2.gz UWLVSSBVZLHUDF-UHFFFAOYSA-N 0 0 358.417 2.850 20 10 FFCDRN C[C@@H](NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000070758118 507631670 /nfs/dbraw/zinc/63/16/70/507631670.db2.gz OZBYROPPYCRTEI-GOSISDBHSA-N 0 0 367.493 2.832 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2=O ZINC000028318173 507719061 /nfs/dbraw/zinc/71/90/61/507719061.db2.gz CRKSJMPPOKLJQZ-DFNIBXOVSA-N 0 0 370.493 2.877 20 10 FFCDRN O=C(C[C@@H]1Oc2ccccc2NC1=O)NCc1ccc(N2CCCC2)cc1 ZINC000028330032 507720218 /nfs/dbraw/zinc/72/02/18/507720218.db2.gz NRXWKRVPRQPRBD-IBGZPJMESA-N 0 0 365.433 2.693 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000028331891 507720845 /nfs/dbraw/zinc/72/08/45/507720845.db2.gz IHBQRHNKTGHPNH-IBGZPJMESA-N 0 0 350.418 2.685 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H]2CCOc3c(OC)cccc32)c(O)c1 ZINC000373496983 512360998 /nfs/dbraw/zinc/36/09/98/512360998.db2.gz JGQIJAIINNTWIW-OAHLLOKOSA-N 0 0 358.394 2.732 20 10 FFCDRN C[C@H]1CN(c2ccc(CNc3cn[nH]c(=O)c3Cl)cc2F)C[C@H](C)O1 ZINC000052457164 507809757 /nfs/dbraw/zinc/80/97/57/507809757.db2.gz DRJZUSQYFFPZJX-QWRGUYRKSA-N 0 0 366.824 2.788 20 10 FFCDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078353203 507863957 /nfs/dbraw/zinc/86/39/57/507863957.db2.gz YXKPKQANHGKHLW-LAVPKYONSA-N 0 0 365.543 2.974 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCc1ccccc1[N+](=O)[O-] ZINC000108695902 507912410 /nfs/dbraw/zinc/91/24/10/507912410.db2.gz PFURJPCBHJJKPU-JXMROGBWSA-N 0 0 367.405 2.761 20 10 FFCDRN COc1cccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1F ZINC000090650932 507932611 /nfs/dbraw/zinc/93/26/11/507932611.db2.gz XERQBPQFNYRMQN-UHFFFAOYSA-N 0 0 372.440 2.973 20 10 FFCDRN C[C@H](CCO)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000074061594 507982975 /nfs/dbraw/zinc/98/29/75/507982975.db2.gz NYILGDUFKGQRME-CYBMUJFWSA-N 0 0 371.428 2.575 20 10 FFCDRN COC(=O)CN(Cc1noc(C(C)(C)C)n1)Cc1cc(Cl)ccc1O ZINC000109779564 507986331 /nfs/dbraw/zinc/98/63/31/507986331.db2.gz RWLZRIDONIZGCF-UHFFFAOYSA-N 0 0 367.833 2.901 20 10 FFCDRN Cc1nc(C(C)(C)C)[nH]c(=O)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000080549681 508082845 /nfs/dbraw/zinc/08/28/45/508082845.db2.gz HMWCPTMMWXRJLX-UHFFFAOYSA-N 0 0 368.481 2.906 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)c(F)c1 ZINC000080864390 508107711 /nfs/dbraw/zinc/10/77/11/508107711.db2.gz MTUTZHVXYYJZNM-UHFFFAOYSA-N 0 0 364.367 2.995 20 10 FFCDRN CC[S@@](=O)c1ccccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000097152682 508220083 /nfs/dbraw/zinc/22/00/83/508220083.db2.gz YIGKNCPLNUTMND-SANMLTNESA-N 0 0 372.490 2.581 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)ccc1O ZINC000081943853 508220638 /nfs/dbraw/zinc/22/06/38/508220638.db2.gz VTIASFCNDHSAKS-UHFFFAOYSA-N 0 0 362.376 2.562 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnn(C(C)(C)C)c1 ZINC000077676536 508348884 /nfs/dbraw/zinc/34/88/84/508348884.db2.gz SEDVTTCBLBABCF-UHFFFAOYSA-N 0 0 356.470 2.747 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@@H](CCO)c2ccccc2)cc1F ZINC000077800295 508376089 /nfs/dbraw/zinc/37/60/89/508376089.db2.gz SYLVTCLPGTWIDO-QGZVFWFLSA-N 0 0 359.445 2.857 20 10 FFCDRN COc1cccc(CNC(=O)C[C@@H]2c3ccccc3CCN2C(C)=O)c1O ZINC000105652946 508379710 /nfs/dbraw/zinc/37/97/10/508379710.db2.gz SCVNFGOKHIVSMT-GOSISDBHSA-N 0 0 368.433 2.553 20 10 FFCDRN COC(=O)CCCc1nc(CN(C)c2ccc(OC)c(Cl)c2)no1 ZINC000121868518 508436127 /nfs/dbraw/zinc/43/61/27/508436127.db2.gz SINSRRORQCCVOH-UHFFFAOYSA-N 0 0 353.806 2.864 20 10 FFCDRN CC[N@H+](Cc1c(C)nn(C)c1N1CCOCC1)Cc1ccc(N(C)C)cc1 ZINC000156850536 508486334 /nfs/dbraw/zinc/48/63/34/508486334.db2.gz WRHIBBXULFHWFW-UHFFFAOYSA-N 0 0 371.529 2.653 20 10 FFCDRN O=C(Cc1coc(-c2ccc(F)cc2)n1)NCCc1ccc(O)c(O)c1 ZINC000122179833 508494577 /nfs/dbraw/zinc/49/45/77/508494577.db2.gz BPNDRKOVGGPQPM-UHFFFAOYSA-N 0 0 356.353 2.793 20 10 FFCDRN C[C@@H](O)CCN(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000153374848 508577025 /nfs/dbraw/zinc/57/70/25/508577025.db2.gz XTMSVSGZWRIDRN-ZIAGYGMSSA-N 0 0 371.428 2.669 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000122857159 508597484 /nfs/dbraw/zinc/59/74/84/508597484.db2.gz JADBHGMBGVDQIF-LVCKWWOGSA-N 0 0 356.466 2.610 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CNC(=O)c1cccc(OC)c1 ZINC000122945478 508612102 /nfs/dbraw/zinc/61/21/02/508612102.db2.gz UNTKGVODCMXNAX-UHFFFAOYSA-N 0 0 356.422 2.569 20 10 FFCDRN CCC(=O)c1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000136135950 508674004 /nfs/dbraw/zinc/67/40/04/508674004.db2.gz SYAOROUQFNSMGL-UHFFFAOYSA-N 0 0 371.412 2.739 20 10 FFCDRN O=C(/C=C/c1cncc(F)c1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000136215103 508679844 /nfs/dbraw/zinc/67/98/44/508679844.db2.gz AVSVWBTVEQEJHB-ZZXKWVIFSA-N 0 0 369.440 2.759 20 10 FFCDRN COCCNc1ccccc1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000119294164 508766211 /nfs/dbraw/zinc/76/62/11/508766211.db2.gz CRBWPOHJDSGBBN-UHFFFAOYSA-N 0 0 356.470 2.810 20 10 FFCDRN CCC(=O)N1CC[C@H](NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)C1 ZINC000130051967 508791093 /nfs/dbraw/zinc/79/10/93/508791093.db2.gz TWUQCEWHOAGVCX-SFHVURJKSA-N 0 0 372.513 2.733 20 10 FFCDRN Oc1ccc2c(c1CNc1ncnc3c1cnn3-c1ncccn1)CCCC2 ZINC000119655103 508836996 /nfs/dbraw/zinc/83/69/96/508836996.db2.gz RNKGSIVWSAHFKW-UHFFFAOYSA-N 0 0 373.420 2.802 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCc2ccccc2[C@@H]1CO ZINC000130750265 508840893 /nfs/dbraw/zinc/84/08/93/508840893.db2.gz GGVPVUQBCQEUIL-NRFANRHFSA-N 0 0 363.461 2.864 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCc3nc(C)no3)c2C)cc1 ZINC000119669319 508841146 /nfs/dbraw/zinc/84/11/46/508841146.db2.gz SVJROVMNBRCUDR-UHFFFAOYSA-N 0 0 354.410 2.767 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC([C@@H](C)O)CC2)cc1F ZINC000159480359 508847824 /nfs/dbraw/zinc/84/78/24/508847824.db2.gz GFNXUPUQQKXFQL-CQSZACIVSA-N 0 0 351.466 2.974 20 10 FFCDRN O=C(/C=C/c1ccnc(Cl)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000151247602 508986059 /nfs/dbraw/zinc/98/60/59/508986059.db2.gz ILMIBSYGUDYVIR-ZZXKWVIFSA-N 0 0 357.841 2.901 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1F ZINC000151298175 508994494 /nfs/dbraw/zinc/99/44/94/508994494.db2.gz ICALYAQLMLAVCL-KSSFIOAISA-N 0 0 367.490 2.746 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1O ZINC000155429867 508999127 /nfs/dbraw/zinc/99/91/27/508999127.db2.gz JRGFIOGWMXCEOP-AWEZNQCLSA-N 0 0 374.462 2.773 20 10 FFCDRN C[C@@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C1CCOCC1 ZINC000151395290 509009617 /nfs/dbraw/zinc/00/96/17/509009617.db2.gz SVGXMYBUCMRINU-QAPCUYQASA-N 0 0 362.470 2.898 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CCOc1cccc(C(N)=O)c1 ZINC000120579351 509026130 /nfs/dbraw/zinc/02/61/30/509026130.db2.gz WTSYLRZRIPXVFU-UHFFFAOYSA-N 0 0 356.422 2.699 20 10 FFCDRN CN(CCc1nccs1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000120787915 509064702 /nfs/dbraw/zinc/06/47/02/509064702.db2.gz LZLRNGBLWQBEHS-QPJJXVBHSA-N 0 0 357.479 2.694 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)[nH]c(=O)nc1SC ZINC000161835962 509157537 /nfs/dbraw/zinc/15/75/37/509157537.db2.gz JEUJFNALWUCBSJ-UHFFFAOYSA-N 0 0 360.483 2.529 20 10 FFCDRN CCN(CCc1nccs1)CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000179040895 509235987 /nfs/dbraw/zinc/23/59/87/509235987.db2.gz QJYNWCATAHCDOK-UHFFFAOYSA-N 0 0 360.527 2.732 20 10 FFCDRN COCCOCCCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000266877381 509237278 /nfs/dbraw/zinc/23/72/78/509237278.db2.gz VVUFSFOTMMJHKN-UHFFFAOYSA-N 0 0 351.491 2.726 20 10 FFCDRN Cn1c2cccc(C(=O)NCc3ccc(N4CCCC4)cc3)c2oc1=O ZINC000179189782 509311549 /nfs/dbraw/zinc/31/15/49/509311549.db2.gz XVQOOAXLTAZXDW-UHFFFAOYSA-N 0 0 351.406 2.662 20 10 FFCDRN CCOc1ccc(O)c(C[NH2+]Cc2nnc(COc3ccccc3)[n-]2)c1 ZINC000185762787 509343607 /nfs/dbraw/zinc/34/36/07/509343607.db2.gz CDBPMYWJPCLDLI-UHFFFAOYSA-N 0 0 354.410 2.778 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)CC2CCOCC2)cc1F ZINC000173131507 509410634 /nfs/dbraw/zinc/41/06/34/509410634.db2.gz AYOZCFUIXOAQTN-UHFFFAOYSA-N 0 0 358.479 2.518 20 10 FFCDRN O=C(N[C@@H]1CCCOC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173183762 509442604 /nfs/dbraw/zinc/44/26/04/509442604.db2.gz VVUXNVPFEPTJTJ-ZIAGYGMSSA-N 0 0 369.412 2.735 20 10 FFCDRN CCCN(CCC)C(=O)CCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173205218 509454851 /nfs/dbraw/zinc/45/48/51/509454851.db2.gz LABQKLIDVLDREP-UHFFFAOYSA-N 0 0 361.486 2.907 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCCc3ccncc3C)CC2)cc1F ZINC000164095567 509462632 /nfs/dbraw/zinc/46/26/32/509462632.db2.gz HEGHOWYYFCGUCI-UHFFFAOYSA-N 0 0 372.444 2.612 20 10 FFCDRN COc1cc(C(=O)NCc2ccc(N3CCCC3)cc2)cc(OC)c1O ZINC000179496932 509478777 /nfs/dbraw/zinc/47/87/77/509478777.db2.gz FXENZWOLKAQGGV-UHFFFAOYSA-N 0 0 356.422 2.940 20 10 FFCDRN Cc1cc([C@@](C)(O)CNC(=O)NCc2ccc(N3CC=CC3)cc2)c(C)o1 ZINC000173291106 509507742 /nfs/dbraw/zinc/50/77/42/509507742.db2.gz GJPSAGOBNTWSPB-NRFANRHFSA-N 0 0 369.465 2.980 20 10 FFCDRN COC[C@H](CCO)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000267521592 509526571 /nfs/dbraw/zinc/52/65/71/509526571.db2.gz ZWHDHARRBFCZQR-AWZKZOKMSA-N 0 0 370.409 2.554 20 10 FFCDRN COc1ccc(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000189345390 509530032 /nfs/dbraw/zinc/53/00/32/509530032.db2.gz TUUPTNZAXBCEGB-INIZCTEOSA-N 0 0 374.506 2.982 20 10 FFCDRN CC[C@]1(c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)CCC(=O)NC1=O ZINC000236932922 509535890 /nfs/dbraw/zinc/53/58/90/509535890.db2.gz XGKLXDZXIVGZAH-OAQYLSRUSA-N 0 0 365.433 2.534 20 10 FFCDRN CCN(CC1CCN(c2ccccn2)CC1)C(=O)Cc1ccc(N)cc1 ZINC000237010711 509551236 /nfs/dbraw/zinc/55/12/36/509551236.db2.gz FEKACFFRCULGDF-UHFFFAOYSA-N 0 0 352.482 2.971 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NC[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000264490252 509558768 /nfs/dbraw/zinc/55/87/68/509558768.db2.gz AXCPEFKTOZZYBB-OAHLLOKOSA-N 0 0 359.392 2.645 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c(O)c1O ZINC000267604657 509561106 /nfs/dbraw/zinc/56/11/06/509561106.db2.gz QACAFGDEVKBVLA-UHFFFAOYSA-N 0 0 350.415 2.536 20 10 FFCDRN C[C@H]1CN(C(=O)c2ccc(NC(=O)Cc3ccc(N)cc3)cc2)C[C@H](C)O1 ZINC000237555935 509678202 /nfs/dbraw/zinc/67/82/02/509678202.db2.gz XZJFFKNIBQBYBU-GJZGRUSLSA-N 0 0 367.449 2.699 20 10 FFCDRN O=C(NCCCC(=O)N1CCc2ccccc21)NCc1ccccc1O ZINC000264788863 509705755 /nfs/dbraw/zinc/70/57/55/509705755.db2.gz RDFVYYIQMWYGCZ-UHFFFAOYSA-N 0 0 353.422 2.561 20 10 FFCDRN COc1ccc(O)c([C@@H](C)Nc2ccc(OC)c(-n3nnnc3C)c2)c1 ZINC000186437543 509708160 /nfs/dbraw/zinc/70/81/60/509708160.db2.gz HORFAOVRXZRGTA-LLVKDONJSA-N 0 0 355.398 2.867 20 10 FFCDRN O=C(c1cccc(Cl)c1)N1CCCN(C(=O)c2cccc(O)c2O)CC1 ZINC000192989945 509727958 /nfs/dbraw/zinc/72/79/58/509727958.db2.gz ARFFIBYWNVVHSI-UHFFFAOYSA-N 0 0 374.824 2.740 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000193000295 509730983 /nfs/dbraw/zinc/73/09/83/509730983.db2.gz HKOYKTGJEXYKOE-YMTOWFKASA-N 0 0 369.252 2.889 20 10 FFCDRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(N)cc3)CC2)cc1 ZINC000237828390 509744216 /nfs/dbraw/zinc/74/42/16/509744216.db2.gz UHWKODTVBYXBPG-UHFFFAOYSA-N 0 0 373.478 2.617 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@H]2C(=O)Nc2ccc(N)cc2)ccc1[N+](=O)[O-] ZINC000237843946 509750854 /nfs/dbraw/zinc/75/08/54/509750854.db2.gz KXBRWAJXVVQMFZ-KRWDZBQOSA-N 0 0 368.393 2.729 20 10 FFCDRN Nc1ccc(CC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000237884980 509761801 /nfs/dbraw/zinc/76/18/01/509761801.db2.gz GUWKYQYIHGRGQP-UHFFFAOYSA-N 0 0 369.440 2.505 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000237943884 509782001 /nfs/dbraw/zinc/78/20/01/509782001.db2.gz YUSNQCNOWQGHCK-KRWDZBQOSA-N 0 0 357.841 2.634 20 10 FFCDRN Nc1ccc(CCNC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 ZINC000237956770 509785701 /nfs/dbraw/zinc/78/57/01/509785701.db2.gz JPVHDXDRMSNESO-UHFFFAOYSA-N 0 0 354.410 2.750 20 10 FFCDRN CN(c1ccc(CNC(=O)C(C)(C)S(C)(=O)=O)cc1)C1CCCCC1 ZINC000264987083 509809800 /nfs/dbraw/zinc/80/98/00/509809800.db2.gz JHTKLBHUBJEUSS-UHFFFAOYSA-N 0 0 366.527 2.895 20 10 FFCDRN Cc1[nH]nc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1C ZINC000265188273 509909737 /nfs/dbraw/zinc/90/97/37/509909737.db2.gz HACMDMILDDOQHW-RYUDHWBXSA-N 0 0 360.433 2.709 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cc(F)ccc1F ZINC000174062830 509929851 /nfs/dbraw/zinc/92/98/51/509929851.db2.gz DFNRHKLAZYALKO-UHFFFAOYSA-N 0 0 354.378 2.619 20 10 FFCDRN COC(=O)[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@@H]1C ZINC000190122687 509949040 /nfs/dbraw/zinc/94/90/40/509949040.db2.gz GAPUYOLUCQAATO-YJBOKZPZSA-N 0 0 359.470 2.627 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H](C)n1cccn1 ZINC000268472579 509954146 /nfs/dbraw/zinc/95/41/46/509954146.db2.gz GUDKBHKYFKOVDF-NSHDSACASA-N 0 0 352.232 2.961 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000183871309 510015889 /nfs/dbraw/zinc/01/58/89/510015889.db2.gz IJQKTGWEPCXBTK-SFHVURJKSA-N 0 0 372.444 2.698 20 10 FFCDRN Cc1nn(CC(F)(F)F)cc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000268605960 510033109 /nfs/dbraw/zinc/03/31/09/510033109.db2.gz KZCCSOKLMUDKAA-UHFFFAOYSA-N 0 0 358.339 2.889 20 10 FFCDRN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180704924 510062879 /nfs/dbraw/zinc/06/28/79/510062879.db2.gz GGCSYLOJXDJULK-GZSUAUOCSA-N 0 0 360.454 2.654 20 10 FFCDRN COCCCn1ccc(NC(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000265503361 510088257 /nfs/dbraw/zinc/08/82/57/510088257.db2.gz GCVUUEBPFPXMDB-UHFFFAOYSA-N 0 0 357.458 2.842 20 10 FFCDRN COc1cccc(N2CCC[C@@H](NC(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000180791337 510111378 /nfs/dbraw/zinc/11/13/78/510111378.db2.gz FRLGLAZZRVERSY-XAVKZTDYSA-N 0 0 368.433 2.905 20 10 FFCDRN CC(C)(C)c1cc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)[nH]n1 ZINC000174442161 510116940 /nfs/dbraw/zinc/11/69/40/510116940.db2.gz WIPYHNXYAICHSX-UHFFFAOYSA-N 0 0 374.460 2.737 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)ccc1F ZINC000171384353 510120654 /nfs/dbraw/zinc/12/06/54/510120654.db2.gz TTXUHWBFVWCBBO-UHFFFAOYSA-N 0 0 355.413 2.989 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000193965653 510152738 /nfs/dbraw/zinc/15/27/38/510152738.db2.gz NSCXOVMGVZDOBL-VIFPVBQESA-N 0 0 358.320 2.609 20 10 FFCDRN Cc1cc(NC(=O)/C=C/c2ccc(O)c(O)c2)ccc1N1CCOCC1 ZINC000180895028 510170916 /nfs/dbraw/zinc/17/09/16/510170916.db2.gz PCEKBMRDDGIFDY-XVNBXDOJSA-N 0 0 354.406 2.895 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c(O)c1O ZINC000177677107 510196017 /nfs/dbraw/zinc/19/60/17/510196017.db2.gz CNVIZLLOIROZCI-UHFFFAOYSA-N 0 0 360.454 2.707 20 10 FFCDRN CCCc1cnc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000190558083 510204912 /nfs/dbraw/zinc/20/49/12/510204912.db2.gz KLGBSZHNDJIWPX-UHFFFAOYSA-N 0 0 373.478 2.935 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/c3ccc(C)o3)cc2)CC1 ZINC000190571958 510214819 /nfs/dbraw/zinc/21/48/19/510214819.db2.gz FRVMCXRDLBAJNE-MDZDMXLPSA-N 0 0 367.449 2.586 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C)s3)cc2)CC1 ZINC000190580066 510219851 /nfs/dbraw/zinc/21/98/51/510219851.db2.gz YQBOQNHEEKOJFI-UHFFFAOYSA-N 0 0 357.479 2.655 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3C[C@@]3(C)C(C)C)cc2)CC1 ZINC000190583832 510222122 /nfs/dbraw/zinc/22/21/22/510222122.db2.gz UCGJYRMALVGAKM-CTNGQTDRSA-N 0 0 357.498 2.654 20 10 FFCDRN O=C(/C=C/c1ccncn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000184315682 510256422 /nfs/dbraw/zinc/25/64/22/510256422.db2.gz VILVLXGLORJHPM-WEJQMCOXSA-N 0 0 374.391 2.876 20 10 FFCDRN CS(=O)(=O)c1cccc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000174737227 510280011 /nfs/dbraw/zinc/28/00/11/510280011.db2.gz CQUBTISQJFMCJK-UHFFFAOYSA-N 0 0 374.462 2.996 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc(OC[C@H]2CCCO2)c1 ZINC000269213705 510294567 /nfs/dbraw/zinc/29/45/67/510294567.db2.gz OYAYAFFDVFYXDU-QGZVFWFLSA-N 0 0 357.406 2.628 20 10 FFCDRN Cc1cc(C(=O)N2CCC(CC(=O)N(C)C)CC2)c(C)n1-c1ccccn1 ZINC000181194814 510296290 /nfs/dbraw/zinc/29/62/90/510296290.db2.gz IWVHANFGWMAVQB-UHFFFAOYSA-N 0 0 368.481 2.820 20 10 FFCDRN C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000269228911 510302509 /nfs/dbraw/zinc/30/25/09/510302509.db2.gz SQMYZJVMYOALNL-LRDDRELGSA-N 0 0 354.406 2.665 20 10 FFCDRN CC(C)(NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)NCC1CCCCC1 ZINC000181230731 510313077 /nfs/dbraw/zinc/31/30/77/510313077.db2.gz IJGFUQCFPAIACR-PKNBQFBNSA-N 0 0 360.454 2.702 20 10 FFCDRN CC(C)CNC(=O)N1CCC[C@H](CC(=O)N(C)Cc2ccccc2O)C1 ZINC000265958642 510324490 /nfs/dbraw/zinc/32/44/90/510324490.db2.gz KHLLSJHHFIYJQG-MRXNPFEDSA-N 0 0 361.486 2.818 20 10 FFCDRN C[C@@](O)(CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000177918464 510326804 /nfs/dbraw/zinc/32/68/04/510326804.db2.gz STTAFFQFENZOHZ-AQDCRGGLSA-N 0 0 372.490 2.622 20 10 FFCDRN CCOC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000187584187 510340979 /nfs/dbraw/zinc/34/09/79/510340979.db2.gz JFGMCSFHWNEMMU-INIZCTEOSA-N 0 0 350.459 2.898 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000266056133 510384573 /nfs/dbraw/zinc/38/45/73/510384573.db2.gz ZFYUZSCLUVISBE-OAHLLOKOSA-N 0 0 363.458 2.837 20 10 FFCDRN COc1cc(C=O)ccc1OCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000184602026 510410403 /nfs/dbraw/zinc/41/04/03/510410403.db2.gz LITJDDORUHOENZ-UHFFFAOYSA-N 0 0 356.422 2.659 20 10 FFCDRN COc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1OC ZINC000266325537 510518679 /nfs/dbraw/zinc/51/86/79/510518679.db2.gz IARKEXDTFXBIQE-UHFFFAOYSA-N 0 0 356.422 2.738 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1F ZINC000194893098 510577585 /nfs/dbraw/zinc/57/75/85/510577585.db2.gz BQIDWMKZKVGOFA-LJQANCHMSA-N 0 0 369.440 2.813 20 10 FFCDRN COc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccc3c(c2)OCCO3)c1O ZINC000266434700 510585292 /nfs/dbraw/zinc/58/52/92/510585292.db2.gz JPJJKPKLAQEMOS-GJZGRUSLSA-N 0 0 355.390 2.592 20 10 FFCDRN CN(C)C(=O)CNC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1 ZINC000178436212 510603850 /nfs/dbraw/zinc/60/38/50/510603850.db2.gz XSEZXHSRDYPUEB-QURGRASLSA-N 0 0 353.426 2.986 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)c2c([N+](=O)[O-])ncn2C)cc1 ZINC000269942996 510610998 /nfs/dbraw/zinc/61/09/98/510610998.db2.gz HEALABQRYHYILN-MRXNPFEDSA-N 0 0 359.430 2.580 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185122843 510698410 /nfs/dbraw/zinc/69/84/10/510698410.db2.gz DGZMBAOYTIMNBM-NWDGAFQWSA-N 0 0 352.431 2.851 20 10 FFCDRN COc1cccc(CNC(=O)NCc2cccc(N3CCCC3=O)c2)c1O ZINC000266663036 510716589 /nfs/dbraw/zinc/71/65/89/510716589.db2.gz KIXDEFXXPOHDOS-UHFFFAOYSA-N 0 0 369.421 2.527 20 10 FFCDRN COC[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000175754701 510772892 /nfs/dbraw/zinc/77/28/92/510772892.db2.gz UAHJRVSHJZVRSF-SFHVURJKSA-N 0 0 373.453 2.645 20 10 FFCDRN COc1cc(NC(=O)CN(C)c2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000270369356 510781063 /nfs/dbraw/zinc/78/10/63/510781063.db2.gz TVPIVDGNZKUAHW-UHFFFAOYSA-N 0 0 374.393 2.516 20 10 FFCDRN CC[C@H](NC(=O)Cc1ccc(N)cc1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000178869440 510812812 /nfs/dbraw/zinc/81/28/12/510812812.db2.gz RBHGRYLRWJSSFT-LEWJYISDSA-N 0 0 367.493 2.607 20 10 FFCDRN CC(=O)CC(C)(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000191755847 510815987 /nfs/dbraw/zinc/81/59/87/510815987.db2.gz MPPHSRCAMNULJM-UHFFFAOYSA-N 0 0 350.434 2.674 20 10 FFCDRN CO[C@H](C)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000263815195 510848268 /nfs/dbraw/zinc/84/82/68/510848268.db2.gz IGUHNHYSPIAFHS-RBSFLKMASA-N 0 0 367.465 2.664 20 10 FFCDRN Nc1ccc(CNC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)cc1 ZINC000297251870 510873530 /nfs/dbraw/zinc/87/35/30/510873530.db2.gz QSYSVGXJHDSLNJ-UHFFFAOYSA-N 0 0 373.403 2.716 20 10 FFCDRN COc1cc(N2CCN(C(=O)C3=CCCCC3)CC2)cc(OC)c1OC ZINC000275377632 510891337 /nfs/dbraw/zinc/89/13/37/510891337.db2.gz AKCACCHTDGLTMH-UHFFFAOYSA-N 0 0 360.454 2.861 20 10 FFCDRN COCCOc1cncc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000282282874 510914433 /nfs/dbraw/zinc/91/44/33/510914433.db2.gz VCNYKTNEBCQXDK-UHFFFAOYSA-N 0 0 369.465 2.978 20 10 FFCDRN CSc1nnc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)s1 ZINC000275752807 510916201 /nfs/dbraw/zinc/91/62/01/510916201.db2.gz BOPIACKWWGNBAJ-UHFFFAOYSA-N 0 0 359.480 2.993 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1 ZINC000276045363 510924419 /nfs/dbraw/zinc/92/44/19/510924419.db2.gz HNFHTFOOXMPOEL-AWEZNQCLSA-N 0 0 362.380 2.785 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@H]2c2cc[nH]n2)cc1 ZINC000285507804 510935503 /nfs/dbraw/zinc/93/55/03/510935503.db2.gz YBABGYXHZLNONL-IBGZPJMESA-N 0 0 355.486 2.661 20 10 FFCDRN CCOc1cccc(CN[C@H](C(=O)OC)c2ccc(OC)c(O)c2)c1O ZINC000276700578 510945234 /nfs/dbraw/zinc/94/52/34/510945234.db2.gz BGMOSSJWFGDBPM-KRWDZBQOSA-N 0 0 361.394 2.509 20 10 FFCDRN CN(C)c1ccc(C[NH2+][C@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000277322381 510960522 /nfs/dbraw/zinc/96/05/22/510960522.db2.gz NXOZZNPHBTXOMT-GOSISDBHSA-N 0 0 370.449 2.699 20 10 FFCDRN COc1ccc2c(c1)[C@H](C(=O)NCc1ccc(N3CCOCC3)cc1)CC2 ZINC000277333527 510960594 /nfs/dbraw/zinc/96/05/94/510960594.db2.gz YOPWWRJNEACZLL-HXUWFJFHSA-N 0 0 366.461 2.878 20 10 FFCDRN CCCN1CC(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O ZINC000277295485 510960969 /nfs/dbraw/zinc/96/09/69/510960969.db2.gz UXNIEKMOMTVJLU-CQSZACIVSA-N 0 0 367.396 2.931 20 10 FFCDRN CC1(C)[C@@H]2OCC[C@@H]2[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277447247 510963752 /nfs/dbraw/zinc/96/37/52/510963752.db2.gz RBONQDQGZRPNNU-DAXOMENPSA-N 0 0 364.829 2.623 20 10 FFCDRN COCCN(Cc1nncn1-c1ccccc1)c1ccc(OC)c(OC)c1 ZINC000277778352 510972092 /nfs/dbraw/zinc/97/20/92/510972092.db2.gz RPTCETMWAGCXKM-UHFFFAOYSA-N 0 0 368.437 2.938 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(OCC(F)(F)F)cn2)c1O ZINC000277793713 510972191 /nfs/dbraw/zinc/97/21/91/510972191.db2.gz SOYDPENSUAMDHB-UHFFFAOYSA-N 0 0 356.300 2.667 20 10 FFCDRN COC(=O)c1coc([C@H](C)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000278334503 510989863 /nfs/dbraw/zinc/98/98/63/510989863.db2.gz WPLOFRKDGJTMSK-ZDUSSCGKSA-N 0 0 362.401 2.893 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2cccc3c2OCCCO3)ccc1[N+](=O)[O-] ZINC000278508337 510994859 /nfs/dbraw/zinc/99/48/59/510994859.db2.gz PFUMRSDPWWHPSK-UHFFFAOYSA-N 0 0 360.366 2.760 20 10 FFCDRN COc1c([O-])c(C[NH2+]CCCc2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000278537500 510996906 /nfs/dbraw/zinc/99/69/06/510996906.db2.gz WNDGCZICDCESLX-UHFFFAOYSA-N 0 0 370.409 2.918 20 10 FFCDRN COc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])cc1OC ZINC000278637574 511001693 /nfs/dbraw/zinc/00/16/93/511001693.db2.gz HPYRIRHDHJYBLF-UHFFFAOYSA-N 0 0 362.382 2.659 20 10 FFCDRN CO[C@@H]1COCC[C@H]1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000297609888 511008249 /nfs/dbraw/zinc/00/82/49/511008249.db2.gz GPRNZUKABVTZLF-GOEBONIOSA-N 0 0 366.421 2.776 20 10 FFCDRN CC[C@@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@@H](O)C(F)(F)F ZINC000270879512 511013232 /nfs/dbraw/zinc/01/32/32/511013232.db2.gz OEULFLUVEAXKRL-UKRRQHHQSA-N 0 0 355.360 2.921 20 10 FFCDRN CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@@H](O)C(F)(F)F ZINC000270889225 511016711 /nfs/dbraw/zinc/01/67/11/511016711.db2.gz OSIHWOCISOYXGS-LSDHHAIUSA-N 0 0 359.392 2.788 20 10 FFCDRN CON(CC(C)(C)C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000286979746 511036937 /nfs/dbraw/zinc/03/69/37/511036937.db2.gz BYUCXGGBZTUVAS-UHFFFAOYSA-N 0 0 367.465 2.906 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@@H]1CCCSC1 ZINC000287010362 511038616 /nfs/dbraw/zinc/03/86/16/511038616.db2.gz DQFPTPQJLIKSQG-HNNXBMFYSA-N 0 0 367.490 2.605 20 10 FFCDRN C[C@@H]1OCC[C@@]12CN(C(=O)NCc1ccc3c(c1)CCCN3C)C[C@@H](C)O2 ZINC000279311605 511040957 /nfs/dbraw/zinc/04/09/57/511040957.db2.gz OKACPBQHIHGDJX-VWKPWSFCSA-N 0 0 373.497 2.547 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000287487172 511050825 /nfs/dbraw/zinc/05/08/25/511050825.db2.gz GRPAXOCGSMTWRY-MRXNPFEDSA-N 0 0 362.470 2.595 20 10 FFCDRN C[C@@H]1COCC[C@H]1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000287925357 511060205 /nfs/dbraw/zinc/06/02/05/511060205.db2.gz RGMNCMHWLMCZCM-SOLBZPMBSA-N 0 0 362.470 2.755 20 10 FFCDRN Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000282654785 511062608 /nfs/dbraw/zinc/06/26/08/511062608.db2.gz IEBHLCMOBMBCAF-BLLLJJGKSA-N 0 0 370.287 2.812 20 10 FFCDRN Cc1cc(C(=O)NC[C@H]2CCCN(C(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000288020720 511062824 /nfs/dbraw/zinc/06/28/24/511062824.db2.gz CSTDHAOJEBYFTQ-QGZVFWFLSA-N 0 0 368.481 2.923 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCCS(=O)(=O)C1 ZINC000288190254 511066688 /nfs/dbraw/zinc/06/66/88/511066688.db2.gz NLXPHWJQEBKNII-CQSZACIVSA-N 0 0 366.508 2.710 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000288341455 511072073 /nfs/dbraw/zinc/07/20/73/511072073.db2.gz VRQREWRGWXJPBG-INIZCTEOSA-N 0 0 360.479 2.649 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(C(F)(F)F)n1 ZINC000294476189 511076450 /nfs/dbraw/zinc/07/64/50/511076450.db2.gz IZXWRASTLVOLIZ-UHFFFAOYSA-N 0 0 365.355 2.867 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc3c(c2)NC(=O)CCS3)c1 ZINC000364786174 511082325 /nfs/dbraw/zinc/08/23/25/511082325.db2.gz CBWUDODBUIWOPN-UHFFFAOYSA-N 0 0 358.419 2.765 20 10 FFCDRN COc1cccc(OCCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000294501101 511085656 /nfs/dbraw/zinc/08/56/56/511085656.db2.gz KHWXJAVZYKBYRD-UHFFFAOYSA-N 0 0 370.449 2.617 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)S(C)(=O)=O ZINC000282741479 511094191 /nfs/dbraw/zinc/09/41/91/511094191.db2.gz UCNNCAPOOVPWLK-CHWSQXEVSA-N 0 0 372.918 2.626 20 10 FFCDRN C=Cc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC000289188793 511094902 /nfs/dbraw/zinc/09/49/02/511094902.db2.gz QHFZPNXOBBGYQM-UHFFFAOYSA-N 0 0 358.463 2.645 20 10 FFCDRN COC(=O)[C@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccc2c(c1)CCO2 ZINC000289345212 511098127 /nfs/dbraw/zinc/09/81/27/511098127.db2.gz MHMNXPHVFACJLG-GOSISDBHSA-N 0 0 373.380 2.673 20 10 FFCDRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000282757023 511099432 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CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)CCc1ccncc1 ZINC000298023454 511145500 /nfs/dbraw/zinc/14/55/00/511145500.db2.gz MNBJEMUACABWCI-UHFFFAOYSA-N 0 0 369.465 2.617 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC2(CCOCC2)O1 ZINC000279614835 511146976 /nfs/dbraw/zinc/14/69/76/511146976.db2.gz SIRQMZHRHGZADJ-KRWDZBQOSA-N 0 0 371.481 2.542 20 10 FFCDRN Cc1ncc2n1CC[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C2 ZINC000290761438 511150097 /nfs/dbraw/zinc/15/00/97/511150097.db2.gz KHEJHMLFXDSHKL-LPHOPBHVSA-N 0 0 369.465 2.667 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCCC[C@@H]1c1nnc(CC(F)(F)F)o1 ZINC000290800611 511151486 /nfs/dbraw/zinc/15/14/86/511151486.db2.gz YDEAUFFRCBANAV-SNVBAGLBSA-N 0 0 371.315 2.953 20 10 FFCDRN COc1ccc([C@@H](O)C2CCN(C(=O)c3cccc(O)c3O)CC2)cc1 ZINC000291331588 511165243 /nfs/dbraw/zinc/16/52/43/511165243.db2.gz UGINKNBYIVVWCO-GOSISDBHSA-N 0 0 357.406 2.692 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3ccc4n[nH]cc4c3)CC2)cc1F ZINC000279707577 511183606 /nfs/dbraw/zinc/18/36/06/511183606.db2.gz AKUZQQIOUWZEGB-UHFFFAOYSA-N 0 0 368.412 2.602 20 10 FFCDRN CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1c(F)ccc(O)c1O ZINC000294881205 511208092 /nfs/dbraw/zinc/20/80/92/511208092.db2.gz HZXPOQVPNINNKM-UHFFFAOYSA-N 0 0 360.385 2.955 20 10 FFCDRN CC(C)c1nnc(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)[nH]1 ZINC000298206478 511208819 /nfs/dbraw/zinc/20/88/19/511208819.db2.gz UIRRCTWWLSRQIK-HNNXBMFYSA-N 0 0 373.457 2.525 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)c2ccc(OC)c(OC)c2)s1 ZINC000294917038 511220144 /nfs/dbraw/zinc/22/01/44/511220144.db2.gz BXMJBQSVQOXSEN-UHFFFAOYSA-N 0 0 353.421 2.922 20 10 FFCDRN CC/C=C/CNC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000298388150 511267231 /nfs/dbraw/zinc/26/72/31/511267231.db2.gz JISKEQAYOQDAEX-VOTSOKGWSA-N 0 0 363.458 2.510 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000291645899 511280977 /nfs/dbraw/zinc/28/09/77/511280977.db2.gz UETSBYGAOBJMBN-DNVCBOLYSA-N 0 0 358.394 2.565 20 10 FFCDRN CC[C@](C)(OC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000279967482 511284173 /nfs/dbraw/zinc/28/41/73/511284173.db2.gz CYPDCBCHPNNCEZ-KSMMKXTCSA-N 0 0 352.450 2.871 20 10 FFCDRN CCc1c(Cl)ncnc1NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000295118104 511288702 /nfs/dbraw/zinc/28/87/02/511288702.db2.gz WHNBEACCSCYRMR-UHFFFAOYSA-N 0 0 373.888 2.973 20 10 FFCDRN CC[C@@H](C)CONC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000291671261 511290817 /nfs/dbraw/zinc/29/08/17/511290817.db2.gz QDBBZKHZPPHDFH-CYBMUJFWSA-N 0 0 353.438 2.564 20 10 FFCDRN CC[C@@H](C)Oc1ccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000271744605 511308477 /nfs/dbraw/zinc/30/84/77/511308477.db2.gz GDRKQCVNXOKHFF-CYBMUJFWSA-N 0 0 372.421 2.573 20 10 FFCDRN C[C@](O)(CCc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000283380278 511345173 /nfs/dbraw/zinc/34/51/73/511345173.db2.gz ROAUMQDPFWJOHI-QFIPXVFZSA-N 0 0 368.477 2.523 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccnn1C(C)C ZINC000283486065 511385653 /nfs/dbraw/zinc/38/56/53/511385653.db2.gz CPLQGMUJBJNUFZ-UHFFFAOYSA-N 0 0 358.442 2.937 20 10 FFCDRN C[C@@H]1OCC[C@@]12CN(C(=O)NCc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC000280233497 511385711 /nfs/dbraw/zinc/38/57/11/511385711.db2.gz XTZFOIROFPVPSU-LLGFUMIMSA-N 0 0 373.497 2.765 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@]3(CCOC3)OC(C)(C)C2)c(C)n1-c1ccccn1 ZINC000280251789 511393316 /nfs/dbraw/zinc/39/33/16/511393316.db2.gz DRMHUIQXPYUCJH-OAQYLSRUSA-N 0 0 369.465 2.899 20 10 FFCDRN CC(=O)NCCCCCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298783322 511409489 /nfs/dbraw/zinc/40/94/89/511409489.db2.gz AHMFLRAJFLBMOA-SFHVURJKSA-N 0 0 362.470 2.596 20 10 FFCDRN COc1ccc(C2=NO[C@H](CNC(=O)NCc3ccccc3O)C2)cc1F ZINC000283560918 511415647 /nfs/dbraw/zinc/41/56/47/511415647.db2.gz GAALJWPVHVMCGY-AWEZNQCLSA-N 0 0 373.384 2.532 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@@H]2COC3(CCCCCC3)O2)c1O ZINC000272064406 511418718 /nfs/dbraw/zinc/41/87/18/511418718.db2.gz GWHJLDUALJCOMT-OAHLLOKOSA-N 0 0 364.442 2.666 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)COC(C)(C)C)cc2F)C[C@H](C)O1 ZINC000272121916 511439155 /nfs/dbraw/zinc/43/91/55/511439155.db2.gz SGYRYWJZMFHAPM-KBPBESRZSA-N 0 0 352.450 2.871 20 10 FFCDRN CC[C@@H](C)NC(=O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298885786 511441935 /nfs/dbraw/zinc/44/19/35/511441935.db2.gz MWGZMAYNHMWEMM-OAHLLOKOSA-N 0 0 360.502 2.731 20 10 FFCDRN CCC1(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCOCC1 ZINC000272202995 511464823 /nfs/dbraw/zinc/46/48/23/511464823.db2.gz AVHUDHHQLHHAHK-UHFFFAOYSA-N 0 0 350.434 2.690 20 10 FFCDRN O=C1CN(C2CC2)C(=O)N1[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000272223397 511469577 /nfs/dbraw/zinc/46/95/77/511469577.db2.gz SXBKHORJHPAZNO-CQSZACIVSA-N 0 0 365.380 2.683 20 10 FFCDRN COCC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000272527409 511497433 /nfs/dbraw/zinc/49/74/33/511497433.db2.gz JOWSJRQKUXYAPZ-GOSISDBHSA-N 0 0 373.453 2.693 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1O ZINC000272546285 511498941 /nfs/dbraw/zinc/49/89/41/511498941.db2.gz YLHRCUKRGPSERP-UHFFFAOYSA-N 0 0 354.450 2.839 20 10 FFCDRN Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)c(O)c1O ZINC000272744398 511506529 /nfs/dbraw/zinc/50/65/29/511506529.db2.gz MVQRFAKVKDDHQS-UHFFFAOYSA-N 0 0 370.405 2.567 20 10 FFCDRN C[C@@H](CN(C)C(=O)NCc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000273116628 511517532 /nfs/dbraw/zinc/51/75/32/511517532.db2.gz GXQLHELMEBSFHL-HNNXBMFYSA-N 0 0 374.510 2.925 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 ZINC000273171228 511518787 /nfs/dbraw/zinc/51/87/87/511518787.db2.gz MIXNMSLFUALHBJ-GHMZBOCLSA-N 0 0 372.446 2.892 20 10 FFCDRN COc1cccc(CO[C@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273177068 511519084 /nfs/dbraw/zinc/51/90/84/511519084.db2.gz NNFSIGARMAAUQC-UONOGXRCSA-N 0 0 359.422 2.759 20 10 FFCDRN COc1ccccc1[C@@H](NCc1cc2c(cc1O)OCO2)c1noc(C)n1 ZINC000363538245 511613746 /nfs/dbraw/zinc/61/37/46/511613746.db2.gz OZFMRNVUAIWTGA-GOSISDBHSA-N 0 0 369.377 2.700 20 10 FFCDRN CCN(CC(=O)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(OC)cc1 ZINC000299408379 511624740 /nfs/dbraw/zinc/62/47/40/511624740.db2.gz YSOODNIVMYCFMX-UHFFFAOYSA-N 0 0 355.438 2.862 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1COc2ccccc2[C@H]1O ZINC000292589600 511652524 /nfs/dbraw/zinc/65/25/24/511652524.db2.gz VSCFVNYPIDRAHL-UYAOXDASSA-N 0 0 367.449 2.581 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2cnccn2)cc1 ZINC000299618573 511665121 /nfs/dbraw/zinc/66/51/21/511665121.db2.gz DIJQJXLDSWOEAV-OSICKASQSA-N 0 0 366.465 2.764 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000299691967 511667332 /nfs/dbraw/zinc/66/73/32/511667332.db2.gz WMKFJHSNAMEEJA-UHFFFAOYSA-N 0 0 352.390 2.670 20 10 FFCDRN CN(Cc1cccc(F)c1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284288849 511670099 /nfs/dbraw/zinc/67/00/99/511670099.db2.gz UELZMGIYBUYQKF-UHFFFAOYSA-N 0 0 369.440 2.701 20 10 FFCDRN C[C@H](Nc1ccc(C(=O)N(C)C)cn1)c1ccc(N2CCOCC2)cc1 ZINC000301220058 511689715 /nfs/dbraw/zinc/68/97/15/511689715.db2.gz AGGLBRATIVZFMI-HNNXBMFYSA-N 0 0 354.454 2.793 20 10 FFCDRN COc1ccc(CN(C)c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1C ZINC000301629143 511698716 /nfs/dbraw/zinc/69/87/16/511698716.db2.gz ARSBTLVJXSGKPC-UHFFFAOYSA-N 0 0 357.366 2.879 20 10 FFCDRN CCOC(=O)c1cccnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC000302219175 511708502 /nfs/dbraw/zinc/70/85/02/511708502.db2.gz LLBGAXGHKCOTJR-UHFFFAOYSA-N 0 0 355.438 2.984 20 10 FFCDRN CCOC(=O)COc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1 ZINC000274149338 511735088 /nfs/dbraw/zinc/73/50/88/511735088.db2.gz FPFAKSCFTGGLGH-UHFFFAOYSA-N 0 0 374.393 2.664 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN2c3ccccc3C[C@@H]2C1 ZINC000292828976 511736378 /nfs/dbraw/zinc/73/63/78/511736378.db2.gz WLIOAXGNFPZGSZ-UGAXZCSASA-N 0 0 350.418 2.775 20 10 FFCDRN C[C@H](c1cc([N+](=O)[O-])ccc1[O-])[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000296427245 511738760 /nfs/dbraw/zinc/73/87/60/511738760.db2.gz LRUBOJMVMBLFTK-HZSPNIEDSA-N 0 0 355.394 2.642 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCc2cn3c(n2)SCC3)cc1 ZINC000274272111 511775204 /nfs/dbraw/zinc/77/52/04/511775204.db2.gz RCQJCPUVROBXKX-UHFFFAOYSA-N 0 0 373.526 2.877 20 10 FFCDRN O=C(Cc1ccc(N[C@H]2CCc3cccc(O)c32)cc1)N1CCOCC1 ZINC000296706201 511863954 /nfs/dbraw/zinc/86/39/54/511863954.db2.gz HYNFGJCZRNQNHI-SFHVURJKSA-N 0 0 352.434 2.893 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCSC3(CCOCC3)C2)cc1OC ZINC000274528590 511864480 /nfs/dbraw/zinc/86/44/80/511864480.db2.gz YHTVOFWWKNSQJI-UHFFFAOYSA-N 0 0 354.428 2.714 20 10 FFCDRN Cn1ccnc1-c1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000366196265 511893219 /nfs/dbraw/zinc/89/32/19/511893219.db2.gz LKDAGIDIVFDZRP-UHFFFAOYSA-N 0 0 352.394 2.863 20 10 FFCDRN CSCCCCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000274701230 511915276 /nfs/dbraw/zinc/91/52/76/511915276.db2.gz QEGYHIUJMGZLJI-UHFFFAOYSA-N 0 0 351.516 2.856 20 10 FFCDRN NC(=O)c1ccccc1CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000281684226 511930697 /nfs/dbraw/zinc/93/06/97/511930697.db2.gz UTTCIIIZFDLHHZ-UHFFFAOYSA-N 0 0 352.434 2.619 20 10 FFCDRN Fc1cc(CN[C@@H](c2nc[nH]n2)c2ccccc2)ccc1N1CCOCC1 ZINC000274838051 511959458 /nfs/dbraw/zinc/95/94/58/511959458.db2.gz LFPSIFFAXADWFM-LJQANCHMSA-N 0 0 367.428 2.660 20 10 FFCDRN Cc1cc(C(=O)N2CCc3n[nH]c(=O)cc3C2)c(C)n1-c1ccccc1C ZINC000274907867 511984197 /nfs/dbraw/zinc/98/41/97/511984197.db2.gz WRFSJANMNOPNFQ-UHFFFAOYSA-N 0 0 362.433 2.684 20 10 FFCDRN CC(C)(C)c1n[nH]cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000293503704 511988807 /nfs/dbraw/zinc/98/88/07/511988807.db2.gz WKBXAUATLXNVCI-UHFFFAOYSA-N 0 0 374.460 2.737 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1cncc(F)c1 ZINC000281955770 512025545 /nfs/dbraw/zinc/02/55/45/512025545.db2.gz MPPWOWIPVIKUEA-UHFFFAOYSA-N 0 0 362.380 2.643 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)c(O)c1 ZINC000373664514 512447846 /nfs/dbraw/zinc/44/78/46/512447846.db2.gz DIBHIDVFOJZFSV-QGZVFWFLSA-N 0 0 368.433 2.569 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@]2(CCCOC2)O1 ZINC000373805749 512513927 /nfs/dbraw/zinc/51/39/27/512513927.db2.gz PDTRWXRBAZCKTG-UTKZUKDTSA-N 0 0 373.497 2.766 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC(Oc4ccccc4)CC3)cc2N1 ZINC000378007370 512547595 /nfs/dbraw/zinc/54/75/95/512547595.db2.gz GXLFUNBLXBYHGI-UHFFFAOYSA-N 0 0 369.377 2.974 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](c2cnn(C)c2)c2ccccc2)c(O)c1 ZINC000369796329 512616521 /nfs/dbraw/zinc/61/65/21/512616521.db2.gz NYGQGJPWGOFRBH-LJQANCHMSA-N 0 0 366.421 2.723 20 10 FFCDRN Cc1ccc([C@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)cc1 ZINC000374921232 513074429 /nfs/dbraw/zinc/07/44/29/513074429.db2.gz STKWANKOELLTIL-HNNXBMFYSA-N 0 0 374.462 2.702 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cn(C)nc1-c1cnn(C)c1 ZINC000368721904 513075915 /nfs/dbraw/zinc/07/59/15/513075915.db2.gz LRXNTQMQOMUQLG-UHFFFAOYSA-N 0 0 366.469 2.549 20 10 FFCDRN O=C1NC2(CCC2)C(=O)N1C1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000372932303 513106956 /nfs/dbraw/zinc/10/69/56/513106956.db2.gz CCTBEHGQHHAQBL-UHFFFAOYSA-N 0 0 365.380 2.731 20 10 FFCDRN CC1=S=C(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)C=C1[N+](=O)[O-] ZINC000497888643 514674098 /nfs/dbraw/zinc/67/40/98/514674098.db2.gz FVTWCNIUYSTYOY-UHFFFAOYSA-N 0 0 371.374 2.743 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cn1nnc(-c2ccc(C)cc2)n1 ZINC000471227199 514807009 /nfs/dbraw/zinc/80/70/09/514807009.db2.gz OZHCBGRPYFBJGJ-UHFFFAOYSA-N 0 0 374.448 2.765 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cc(C)cc(C)n1 ZINC000472789988 515399209 /nfs/dbraw/zinc/39/92/09/515399209.db2.gz KYTOIIPBUSUOLX-UHFFFAOYSA-N 0 0 350.422 2.753 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1ccc(Cl)cn1 ZINC000472801275 515404821 /nfs/dbraw/zinc/40/48/21/515404821.db2.gz CCTBIGKWEAACCQ-UHFFFAOYSA-N 0 0 356.813 2.790 20 10 FFCDRN COC[C@@H](C)n1ccc(=NC(=O)NCc2c(C)c3ccccc3n2C)[nH]1 ZINC000470255451 516186551 /nfs/dbraw/zinc/18/65/51/516186551.db2.gz CTVFPPCVZAAJTF-CYBMUJFWSA-N 0 0 355.442 2.634 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H](C)c1ccncc1F ZINC000496429155 516260219 /nfs/dbraw/zinc/26/02/19/516260219.db2.gz OVPZCCGVTPHDNO-ZDUSSCGKSA-N 0 0 368.412 2.514 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)c1 ZINC000528866595 516760746 /nfs/dbraw/zinc/76/07/46/516760746.db2.gz WYYZTFJHSYPWAS-GFCCVEGCSA-N 0 0 369.343 2.810 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)c(O)c1 ZINC000529228405 517017675 /nfs/dbraw/zinc/01/76/75/517017675.db2.gz OJLAVGIUQZEGDG-GFCCVEGCSA-N 0 0 369.343 2.810 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOC2(CCOCC2)CC1 ZINC000527466838 517695368 /nfs/dbraw/zinc/69/53/68/517695368.db2.gz ONTDAKGPSKFMAA-UHFFFAOYSA-N 0 0 371.481 2.968 20 10 FFCDRN OC[C@]1([NH2+]Cc2cc(Br)ccc2O)COc2ccccc2C1 ZINC000527769457 517902749 /nfs/dbraw/zinc/90/27/49/517902749.db2.gz OWJALQUMEOPJTJ-KRWDZBQOSA-N 0 0 364.239 2.611 20 10 FFCDRN C[C@H]1C[C@H](NC(c2nccn2C)c2nccn2C)c2c1c(F)ccc2O ZINC000527947528 518007034 /nfs/dbraw/zinc/00/70/34/518007034.db2.gz QKJQPZOSEXOYGM-AAEUAGOBSA-N 0 0 355.417 2.926 20 10 FFCDRN CC(C)O[C@@]1(C)C[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000528274323 518161263 /nfs/dbraw/zinc/16/12/63/518161263.db2.gz VOEYUNQRSPDFOA-HIFRSBDPSA-N 0 0 357.248 2.910 20 10 FFCDRN O=C1c2ccccc2C(=O)N1CCC1=CCN(c2ncnc3c2CCC3)CC1 ZINC000573056707 518483270 /nfs/dbraw/zinc/48/32/70/518483270.db2.gz WLGZUUIJMHNHLJ-UHFFFAOYSA-N 0 0 374.444 2.788 20 10 FFCDRN CSCC[C@@H](C)N(C)C(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000571793545 519278792 /nfs/dbraw/zinc/27/87/92/519278792.db2.gz UBBVOHFUDLURHU-CYBMUJFWSA-N 0 0 361.511 2.703 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H](OC)[C@@H]3CCOC3)ccc21 ZINC000617143580 520350060 /nfs/dbraw/zinc/35/00/60/520350060.db2.gz QZKHFEINKNMZND-YLJYHZDGSA-N 0 0 374.481 2.686 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H](COC)OC)ccc21 ZINC000617234997 520389778 /nfs/dbraw/zinc/38/97/78/520389778.db2.gz UULSNNRGCIQXQM-QGZVFWFLSA-N 0 0 362.470 2.686 20 10 FFCDRN COc1ccc2[nH]cc(C3=CCN(c4cncc(-n5cncn5)n4)CC3)c2c1 ZINC000599523290 521275731 /nfs/dbraw/zinc/27/57/31/521275731.db2.gz ZPMVGRORXSSBPW-UHFFFAOYSA-N 0 0 373.420 2.841 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@@H]2[C@H](C)O)CCCC1 ZINC000618910919 521291941 /nfs/dbraw/zinc/29/19/41/521291941.db2.gz YTQWQXDRZYETJC-KBXCAEBGSA-N 0 0 356.466 2.901 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](C)[C@](C)(CO)C3)ccc21 ZINC000620453157 522243297 /nfs/dbraw/zinc/24/32/97/522243297.db2.gz RJXJSJOLFSITKC-QKKBWIMNSA-N 0 0 358.482 2.995 20 10 FFCDRN O=[N+]([O-])c1ccc(NCCCSc2nccs2)c(-c2nn[nH]n2)c1 ZINC000738368993 598896288 /nfs/dbraw/zinc/89/62/88/598896288.db2.gz HQLMEFRLFBNZIS-UHFFFAOYSA-N 0 0 363.428 2.826 20 10 FFCDRN S=C(NNc1cccc2cnccc21)Nc1ccccc1-c1nn[nH]n1 ZINC000738401886 598646891 /nfs/dbraw/zinc/64/68/91/598646891.db2.gz VPOWRBOGBHQFLO-UHFFFAOYSA-N 0 0 362.422 2.728 20 10 FFCDRN O=C([O-])NC[C@H]([NH2+]Cc1ccc(N2CCOCC2)cc1)C1CCCCC1 ZINC000740615397 602571992 /nfs/dbraw/zinc/57/19/92/602571992.db2.gz YICDUJDMMPLLGM-IBGZPJMESA-N 0 0 361.486 2.829 20 10 FFCDRN O=C([O-])Nc1ccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000832842225 603542570 /nfs/dbraw/zinc/54/25/70/603542570.db2.gz RFNCSLZZEDRUII-UHFFFAOYSA-N 0 0 370.453 2.670 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(-c3nn[nH]n3)cs2)cc1 ZINC000821198935 606495333 /nfs/dbraw/zinc/49/53/33/606495333.db2.gz YHJRUELYFCOQIO-UHFFFAOYSA-N 0 0 356.455 2.704 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[nH]n3)s2)cc1 ZINC000821198879 606514798 /nfs/dbraw/zinc/51/47/98/606514798.db2.gz XGQXVCKWPBUKME-UHFFFAOYSA-N 0 0 356.455 2.704 20 10 FFCDRN COCC[C@H](C)OC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC000826153999 607837419 /nfs/dbraw/zinc/83/74/19/607837419.db2.gz FWRDREZDGNBIEG-ZDUSSCGKSA-N 0 0 369.425 2.856 20 10 FFCDRN O[C@@H](COc1ccc(N2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000826504792 607876761 /nfs/dbraw/zinc/87/67/61/607876761.db2.gz DKUBMPMCNTYDLT-SFHVURJKSA-N 0 0 351.410 2.579 20 10 FFCDRN COCCOc1ccc(-c2nn[nH]n2)cc1NCc1cc(C)c(C)cc1O ZINC000826161806 608136133 /nfs/dbraw/zinc/13/61/33/608136133.db2.gz ATTFJQMOVYITDX-UHFFFAOYSA-N 0 0 369.425 2.826 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826256602 609381516 /nfs/dbraw/zinc/38/15/16/609381516.db2.gz RCADKIVPYHHYHK-UHFFFAOYSA-N 0 0 374.242 2.933 20 10 FFCDRN CCOC(=O)Nc1ccc(NCc2cc(F)ccc2O)cc1-c1nn[nH]n1 ZINC000825553211 609488667 /nfs/dbraw/zinc/48/86/67/609488667.db2.gz MYQDASXPFWWADJ-UHFFFAOYSA-N 0 0 372.360 2.892 20 10 FFCDRN CC(C)(C)C(=O)N1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154554289 728806685 /nfs/dbraw/zinc/80/66/85/728806685.db2.gz CGWSFGMCTVHRCU-UHFFFAOYSA-N 0 0 370.544 2.525 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCN(c2ccccn2)CC1 ZINC000154651200 728809241 /nfs/dbraw/zinc/80/92/41/728809241.db2.gz QVTAFJOPEQIKPW-UHFFFAOYSA-N 0 0 363.512 2.552 20 10 FFCDRN COCCC1(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCC1 ZINC000155898972 728838251 /nfs/dbraw/zinc/83/82/51/728838251.db2.gz JHKGSWVYMNWYRS-UHFFFAOYSA-N 0 0 350.434 2.690 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000156658456 728856346 /nfs/dbraw/zinc/85/63/46/728856346.db2.gz GISNVOKUWQXKOS-UHFFFAOYSA-N 0 0 357.797 2.909 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2ccccc2O)cc1Br ZINC000158573264 728890665 /nfs/dbraw/zinc/89/06/65/728890665.db2.gz MJPITVZZFPXXRI-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN C[C@H](Oc1cccc(Br)c1)C(=O)NCc1ccc(O)c(O)c1 ZINC000159137304 728901333 /nfs/dbraw/zinc/90/13/33/728901333.db2.gz BSLNYYNOWQSSIW-JTQLQIEISA-N 0 0 366.211 2.944 20 10 FFCDRN O=C1/C(=C/c2coc3ccccc23)SC(=S)N1CCN1CCOCC1 ZINC000160319481 728920164 /nfs/dbraw/zinc/92/01/64/728920164.db2.gz DOTHDHYDNCVEMD-WJDWOHSUSA-N 0 0 374.487 2.966 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc(C)c(N(C)C)c2)c1 ZINC000161177047 728929684 /nfs/dbraw/zinc/92/96/84/728929684.db2.gz MSCXLKCXHQFXFF-CYBMUJFWSA-N 0 0 364.467 2.815 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCO[C@@]2(CCSC2)C1 ZINC000898079192 735311335 /nfs/dbraw/zinc/31/13/35/735311335.db2.gz TWNLLWKTKPPGCK-INIZCTEOSA-N 0 0 351.449 2.661 20 10 FFCDRN O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3cc(Cl)cc(F)c3[O-])C2)c1Cl ZINC000898367589 735348041 /nfs/dbraw/zinc/34/80/41/735348041.db2.gz RSEQDVPCQORNTL-JTQLQIEISA-N 0 0 373.215 2.702 20 10 FFCDRN CC(C)(C)N1C[C@@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC000898976832 735428577 /nfs/dbraw/zinc/42/85/77/735428577.db2.gz BGVVDBFVNIMABZ-SNVBAGLBSA-N 0 0 362.451 2.689 20 10 FFCDRN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)[C@@]1(O)CCCOC1 ZINC000898979687 735429029 /nfs/dbraw/zinc/42/90/29/735429029.db2.gz KLTUDXUNQVZPAM-GOSISDBHSA-N 0 0 365.451 2.610 20 10 FFCDRN CC(C)NC(=O)[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898983503 735429855 /nfs/dbraw/zinc/42/98/55/735429855.db2.gz BQBXNSBQCZXIAP-NSHDSACASA-N 0 0 362.451 2.689 20 10 FFCDRN O=C(NC[C@@H]1CC2(CO1)CCOCC2)c1cc2cc(O)c(O)cc2s1 ZINC000899180609 735457377 /nfs/dbraw/zinc/45/73/77/735457377.db2.gz ZBGVRLIMJWKRIT-LBPRGKRZSA-N 0 0 363.435 2.628 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2cnc(F)cc2C)SC1=S ZINC000899260496 735467470 /nfs/dbraw/zinc/46/74/70/735467470.db2.gz IQOICDNCCBEDED-XFFZJAGNSA-N 0 0 354.428 2.684 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCCNC(=O)c1ccccc1Cl ZINC000045570804 728004126 /nfs/dbraw/zinc/00/41/26/728004126.db2.gz FUQCUOGJPOTLTH-UHFFFAOYSA-N 0 0 361.829 2.617 20 10 FFCDRN CC[C@@H](Cc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000076020383 728254212 /nfs/dbraw/zinc/25/42/12/728254212.db2.gz LJZMPJOCKJLWNA-AWEZNQCLSA-N 0 0 362.451 2.515 20 10 FFCDRN Cc1cc(C(=O)O[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000078290305 728293570 /nfs/dbraw/zinc/29/35/70/728293570.db2.gz LWVYEDZWGDCODV-OAHLLOKOSA-N 0 0 351.399 2.577 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)Sc3ccccn3)CC2)cc1 ZINC000078597960 728299399 /nfs/dbraw/zinc/29/93/99/728299399.db2.gz GXXAKVRZSJJKRT-OAHLLOKOSA-N 0 0 357.479 2.920 20 10 FFCDRN O=C(CSc1nccs1)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000078931130 728306019 /nfs/dbraw/zinc/30/60/19/728306019.db2.gz OKHJPKVFUZIKQG-UHFFFAOYSA-N 0 0 367.540 2.876 20 10 FFCDRN CCOC[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000081485760 728399415 /nfs/dbraw/zinc/39/94/15/728399415.db2.gz DUVGISADCSKNDY-KRWDZBQOSA-N 0 0 363.527 2.808 20 10 FFCDRN CCC[C@@H](C)NC(=O)[C@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866399 728426555 /nfs/dbraw/zinc/42/65/55/728426555.db2.gz DBFCMIDQKSMUFB-CABCVRRESA-N 0 0 351.466 2.650 20 10 FFCDRN Cc1nc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cs1 ZINC000098093744 728484182 /nfs/dbraw/zinc/48/41/82/728484182.db2.gz WIPDLCJOLZVMDF-UHFFFAOYSA-N 0 0 359.495 2.519 20 10 FFCDRN COc1cccc(CNC(=O)c2[nH]nc(C(C)C)c2Br)c1O ZINC000106916190 728513487 /nfs/dbraw/zinc/51/34/87/728513487.db2.gz DZLCOOGMOJIPLO-UHFFFAOYSA-N 0 0 368.231 2.940 20 10 FFCDRN COC(=O)CN(Cc1nc(CC(C)C)no1)Cc1cc(Cl)ccc1O ZINC000109779590 728528972 /nfs/dbraw/zinc/52/89/72/728528972.db2.gz KWJDVOFHCSTBDP-UHFFFAOYSA-N 0 0 367.833 2.802 20 10 FFCDRN C[C@@H](NS(=O)(=O)CCC(C)(C)C)c1ccc(N2CCOCC2)cc1 ZINC000113283365 728553924 /nfs/dbraw/zinc/55/39/24/728553924.db2.gz WMCBVYYGPTYOPY-OAHLLOKOSA-N 0 0 354.516 2.940 20 10 FFCDRN CCC[C@@H](C)N1C[C@@H](C(=O)NCCCSc2nccs2)CC1=O ZINC000114376092 728559944 /nfs/dbraw/zinc/55/99/44/728559944.db2.gz ABUQHQSJQGXOMK-OLZOCXBDSA-N 0 0 355.529 2.779 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(C)Cc1nccn1C(F)F ZINC000115854306 728567450 /nfs/dbraw/zinc/56/74/50/728567450.db2.gz OWNWCFJAFNVYGX-UHFFFAOYSA-N 0 0 351.401 2.994 20 10 FFCDRN COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)ccc1OC(F)F ZINC000747147956 735538518 /nfs/dbraw/zinc/53/85/18/735538518.db2.gz JQHRNPLLVXIKSC-UKTHLTGXSA-N 0 0 370.377 2.599 20 10 FFCDRN CCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1F ZINC000123730316 728662126 /nfs/dbraw/zinc/66/21/26/728662126.db2.gz KIXUSBRGCHEHIQ-UHFFFAOYSA-N 0 0 352.387 2.718 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CC[C@@H](CO)CC1 ZINC000125459540 728683803 /nfs/dbraw/zinc/68/38/03/728683803.db2.gz HOWHIZYZEKMGGY-QAQDUYKDSA-N 0 0 363.527 2.590 20 10 FFCDRN CCC[C@@](C)(O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000126973321 728705140 /nfs/dbraw/zinc/70/51/40/728705140.db2.gz OFXBUAXKBDUFDZ-FZKQIMNGSA-N 0 0 356.413 2.924 20 10 FFCDRN C[C@H](C(=O)NC1CCCC1)N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000131635426 728722736 /nfs/dbraw/zinc/72/27/36/728722736.db2.gz SWVWYSQOQSYVJY-CQSZACIVSA-N 0 0 365.905 2.611 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCc2cc(F)cc(F)c2)c(OC)c1 ZINC000132162331 728723803 /nfs/dbraw/zinc/72/38/03/728723803.db2.gz UGIGTCHAMMNPIG-UHFFFAOYSA-N 0 0 350.365 2.735 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000134612897 728731431 /nfs/dbraw/zinc/73/14/31/728731431.db2.gz SVLPCHJKXFTXBV-VIFPVBQESA-N 0 0 366.776 2.576 20 10 FFCDRN CCC(CC)CS(=O)(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000151259362 728744730 /nfs/dbraw/zinc/74/47/30/728744730.db2.gz NZBZCADVZWIYHF-UHFFFAOYSA-N 0 0 368.543 2.751 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)ccc1[N+](=O)[O-] ZINC000172019394 729018100 /nfs/dbraw/zinc/01/81/00/729018100.db2.gz NCBZVYGFJJVUSB-UHFFFAOYSA-N 0 0 367.402 2.587 20 10 FFCDRN CN(C)c1ccc(Cl)cc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000176975457 729124871 /nfs/dbraw/zinc/12/48/71/729124871.db2.gz BMISDZAOCJCZNI-UHFFFAOYSA-N 0 0 361.829 2.709 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CSCCS1 ZINC000176999449 729125746 /nfs/dbraw/zinc/12/57/46/729125746.db2.gz SCKSQCJVUKCAPH-OAHLLOKOSA-N 0 0 354.566 2.705 20 10 FFCDRN CC(C)N(CCC(=O)NCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC000778918135 738421009 /nfs/dbraw/zinc/42/10/09/738421009.db2.gz MCXMKTBAPHXXBW-UHFFFAOYSA-N 0 0 352.431 2.750 20 10 FFCDRN CO[C@H](C)c1nc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000183432183 729304073 /nfs/dbraw/zinc/30/40/73/729304073.db2.gz UITLXBIEEZRGGL-MWLCHTKSSA-N 0 0 350.440 2.931 20 10 FFCDRN CSc1nc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c2ccccn21 ZINC000183458840 729305111 /nfs/dbraw/zinc/30/51/11/729305111.db2.gz XJGOJVLTTKJWHO-LLVKDONJSA-N 0 0 357.435 2.828 20 10 FFCDRN COc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)on1 ZINC000183836286 729314360 /nfs/dbraw/zinc/31/43/60/729314360.db2.gz LTQCYMVCXNFVOA-UHFFFAOYSA-N 0 0 357.332 2.954 20 10 FFCDRN CC1(CO)CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000184539911 729328157 /nfs/dbraw/zinc/32/81/57/729328157.db2.gz OTJWIOWDLPTLHS-UHFFFAOYSA-N 0 0 363.527 2.544 20 10 FFCDRN O=C(NCc1ccccc1O)c1ccc(I)c(O)c1 ZINC000230903478 729551643 /nfs/dbraw/zinc/55/16/43/729551643.db2.gz KQUXOWWOCBNKRD-UHFFFAOYSA-N 0 0 369.158 2.632 20 10 FFCDRN CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(N)cc2)ccc1C ZINC000236972715 729557267 /nfs/dbraw/zinc/55/72/67/729557267.db2.gz WTIRVUYPHYEBCU-UHFFFAOYSA-N 0 0 361.467 2.860 20 10 FFCDRN O[C@H](COC[C@H]1CCCO1)CN1CCCc2cc(OC(F)F)ccc21 ZINC000245984002 729578212 /nfs/dbraw/zinc/57/82/12/729578212.db2.gz ZBQAXJFOBNSQMY-GOEBONIOSA-N 0 0 357.397 2.597 20 10 FFCDRN O=C1NCCN(Cc2ccccc2O)[C@H]1c1cccc(Br)c1 ZINC000779029164 738430835 /nfs/dbraw/zinc/43/08/35/738430835.db2.gz FKOIJPJZFASCQO-INIZCTEOSA-N 0 0 361.239 2.828 20 10 FFCDRN Cc1cccc(CCN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)n1 ZINC000286433043 729712471 /nfs/dbraw/zinc/71/24/71/729712471.db2.gz STTWHXDTBGTXQQ-UHFFFAOYSA-N 0 0 359.813 2.756 20 10 FFCDRN CCS[C@@H](C)c1noc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000779534825 738469168 /nfs/dbraw/zinc/46/91/68/738469168.db2.gz RPQHQSABIBRQBM-JYKYSHPRSA-N 0 0 363.439 2.967 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cc1O ZINC000856209924 730316031 /nfs/dbraw/zinc/31/60/31/730316031.db2.gz HVCOCKWKFQBKHY-UHFFFAOYSA-N 0 0 360.841 2.937 20 10 FFCDRN Cc1nc(Cl)ccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212940 730316267 /nfs/dbraw/zinc/31/62/67/730316267.db2.gz XQMHGDMYFDILMN-UHFFFAOYSA-N 0 0 359.857 2.935 20 10 FFCDRN Cc1csc(CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000856213353 730316387 /nfs/dbraw/zinc/31/63/87/730316387.db2.gz IMCXZDMTBDOUOH-UHFFFAOYSA-N 0 0 359.495 2.662 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2CCC(C3CCC3)CC2)c1 ZINC000856252438 730319050 /nfs/dbraw/zinc/31/90/50/730319050.db2.gz MLADUOPYDXTIQC-UHFFFAOYSA-N 0 0 366.483 2.852 20 10 FFCDRN CCS[C@H](C)c1noc(CN(C)C(=O)/C=C\c2ccc(O)c(O)c2)n1 ZINC000779534822 738469286 /nfs/dbraw/zinc/46/92/86/738469286.db2.gz RPQHQSABIBRQBM-BPOWMSRESA-N 0 0 363.439 2.967 20 10 FFCDRN NC(=O)CCSc1ccccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779484517 738467733 /nfs/dbraw/zinc/46/77/33/738467733.db2.gz SNAYQTXRBPSEIJ-SOFGYWHQSA-N 0 0 358.419 2.717 20 10 FFCDRN CCNc1nc(C)c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000857302287 730390034 /nfs/dbraw/zinc/39/00/34/730390034.db2.gz MABNMOQWEHNESN-ZDUSSCGKSA-N 0 0 360.483 2.901 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CO[C@H](C2CC2)C1 ZINC000858154968 730418109 /nfs/dbraw/zinc/41/81/09/730418109.db2.gz WZHAKEAXRHTCLK-AEFFLSMTSA-N 0 0 361.511 2.607 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@@H](CCF)C2)cc1F ZINC000858205675 730419817 /nfs/dbraw/zinc/41/98/17/730419817.db2.gz CKZKQVRHLOSMKG-HNNXBMFYSA-N 0 0 355.429 2.942 20 10 FFCDRN Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000858210596 730419886 /nfs/dbraw/zinc/41/98/86/730419886.db2.gz BGGBGWQAZJIAMB-UHFFFAOYSA-N 0 0 364.711 2.996 20 10 FFCDRN C[C@@H](CCNC(=O)OC(C)(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779547972 738469912 /nfs/dbraw/zinc/46/99/12/738469912.db2.gz ZIMPAPPUOZAPOS-VFFGBVLKSA-N 0 0 350.415 2.531 20 10 FFCDRN O=C(NCC[C@H]1CCCOC1)NCc1cccc(Br)c1O ZINC000858667682 730431125 /nfs/dbraw/zinc/43/11/25/730431125.db2.gz WHNOQCKOGZIPHC-LLVKDONJSA-N 0 0 357.248 2.771 20 10 FFCDRN C[C@H](NC(=O)[C@@H]1C[C@]1(C)Br)c1ccc(N2CCOCC2)cc1 ZINC000858786034 730433761 /nfs/dbraw/zinc/43/37/61/730433761.db2.gz MDMQMFNMLUHFEF-NUTKFTJISA-N 0 0 367.287 2.874 20 10 FFCDRN CCO[C@@H](CS(=O)(=O)NCc1ccc(N(CC)CC)c(F)c1)C1CC1 ZINC000858963527 730438233 /nfs/dbraw/zinc/43/82/33/730438233.db2.gz AMXQIYHABHGGRL-SFHVURJKSA-N 0 0 372.506 2.906 20 10 FFCDRN CC(C)Oc1cncc(S(=O)(=O)NCCCSc2nccs2)c1 ZINC000858981248 730438678 /nfs/dbraw/zinc/43/86/78/730438678.db2.gz XIAZDJDWJRAZNL-UHFFFAOYSA-N 0 0 373.525 2.786 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@H](O)C(F)(F)F ZINC000859887512 730468623 /nfs/dbraw/zinc/46/86/23/730468623.db2.gz FNQJWVPQJAFVTA-OAHLLOKOSA-N 0 0 354.328 2.560 20 10 FFCDRN CS[C@@H](CO)[C@@H](C)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000860162614 730482680 /nfs/dbraw/zinc/48/26/80/730482680.db2.gz QYLKIVHDUBQRBH-ACJLOTCBSA-N 0 0 360.479 2.749 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@H](C)[S@](C)=O)c1 ZINC000860203103 730487010 /nfs/dbraw/zinc/48/70/10/730487010.db2.gz WTGSORWMWZLOST-SXBQZSJRSA-N 0 0 360.479 2.794 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)[C@H](C)C[S@](C)=O)c1 ZINC000860765813 730545068 /nfs/dbraw/zinc/54/50/68/730545068.db2.gz GLCGXWFLIXCUSI-PWECECGKSA-N 0 0 360.479 2.746 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c1 ZINC000860765811 730545131 /nfs/dbraw/zinc/54/51/31/730545131.db2.gz GLCGXWFLIXCUSI-HWRSSNJWSA-N 0 0 360.479 2.746 20 10 FFCDRN C[C@@H](NC(=O)c1cnc(C2(C)OCCO2)s1)c1ccc(N(C)C)cc1 ZINC000860949592 730561054 /nfs/dbraw/zinc/56/10/54/730561054.db2.gz ANBYJYZFHDTBRY-GFCCVEGCSA-N 0 0 361.467 2.920 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000862131310 730669080 /nfs/dbraw/zinc/66/90/80/730669080.db2.gz XSWXWJQCMIBTGD-AWEZNQCLSA-N 0 0 358.825 2.824 20 10 FFCDRN CN(C)c1cc(F)c(CN[C@@H](CS(C)(=O)=O)c2ccccc2)cc1F ZINC000862325086 730687344 /nfs/dbraw/zinc/68/73/44/730687344.db2.gz BOQIKIQTMAGKLE-KRWDZBQOSA-N 0 0 368.449 2.906 20 10 FFCDRN CC[C@H]1CN(Cc2c(O)cccc2Br)C[C@@]2(CCOC2)O1 ZINC000862352117 730690759 /nfs/dbraw/zinc/69/07/59/730690759.db2.gz ZRBRAZSJJVEACM-BLLLJJGKSA-N 0 0 356.260 2.925 20 10 FFCDRN CCOC(=O)[C@H](NCc1cc(F)ccc1O)[C@H](O)c1ccc(Cl)cc1 ZINC000862427767 730701242 /nfs/dbraw/zinc/70/12/42/730701242.db2.gz GGLJQVDYECMQAY-IAGOWNOFSA-N 0 0 367.804 2.940 20 10 FFCDRN Cn1cc(/C=C2/SC(=S)N(C3CCC3)C2=O)c(Br)n1 ZINC000864355799 730841203 /nfs/dbraw/zinc/84/12/03/730841203.db2.gz KTINNPLHZKQKAZ-WEVVVXLNSA-N 0 0 358.286 2.936 20 10 FFCDRN Cc1ccn(C[C@@H](C)C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000864918909 730891812 /nfs/dbraw/zinc/89/18/12/730891812.db2.gz NRDILPCKLDRBDK-OAHLLOKOSA-N 0 0 358.511 2.697 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H](n1cncn1)C(F)(F)F ZINC000865682645 730985291 /nfs/dbraw/zinc/98/52/91/730985291.db2.gz IRWRYVHBMZFPQZ-SNVBAGLBSA-N 0 0 365.153 2.639 20 10 FFCDRN Cc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)nn1 ZINC000866429327 731059566 /nfs/dbraw/zinc/05/95/66/731059566.db2.gz KNQWQEKEZGFJPC-UHFFFAOYSA-N 0 0 360.483 2.596 20 10 FFCDRN CC[C@@H]([NH2+]CCCS(=O)(=O)NC)c1ccc(Cl)c(Cl)c1[O-] ZINC000866457758 731062420 /nfs/dbraw/zinc/06/24/20/731062420.db2.gz UIBKXTFVOBGGOD-LLVKDONJSA-N 0 0 355.287 2.679 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1c(C(F)F)nc2n1CCCC2 ZINC000866756919 731096206 /nfs/dbraw/zinc/09/62/06/731096206.db2.gz CRRTUHYRKJQVPY-UHFFFAOYSA-N 0 0 351.353 2.541 20 10 FFCDRN COCc1ccc(OC)c(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000867836018 731232388 /nfs/dbraw/zinc/23/23/88/731232388.db2.gz AWZMDLGJJMGBFU-LBPRGKRZSA-N 0 0 351.424 2.587 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3C[C@H]3C(F)(F)F)CC2)cc1F ZINC000868989974 731352885 /nfs/dbraw/zinc/35/28/85/731352885.db2.gz WONIEELZUJLFIW-DGCLKSJQSA-N 0 0 361.339 2.617 20 10 FFCDRN CN(C)c1ncc(Br)cc1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202303 731605661 /nfs/dbraw/zinc/60/56/61/731605661.db2.gz CTYCJPQJHVDRGX-UHFFFAOYSA-N 0 0 362.227 2.772 20 10 FFCDRN Cc1ccc([C@](O)(CC(=O)N2Cc3cccc(O)c3C2)C(F)(F)F)o1 ZINC000871203575 731606126 /nfs/dbraw/zinc/60/61/26/731606126.db2.gz NJYMETGXKFPMMK-MRXNPFEDSA-N 0 0 355.312 2.976 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCOC(F)(F)C(F)(F)F)c1 ZINC000873157744 731881865 /nfs/dbraw/zinc/88/18/65/731881865.db2.gz HSGHIKSPHWCQRT-QMMMGPOBSA-N 0 0 372.290 2.933 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccncc1Br ZINC000780623962 738563526 /nfs/dbraw/zinc/56/35/26/738563526.db2.gz OTVSINZHZZHCLM-UHFFFAOYSA-N 0 0 363.259 2.962 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000877667340 732409093 /nfs/dbraw/zinc/40/90/93/732409093.db2.gz NKFMLAJBNKHDAP-WKFQBHICSA-N 0 0 365.065 2.778 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000877811010 732438588 /nfs/dbraw/zinc/43/85/88/732438588.db2.gz CQNBLRZKDGJXQO-GVJMRKKJSA-N 0 0 365.065 2.778 20 10 FFCDRN C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1cc(Br)ccc1O ZINC000879965208 732810827 /nfs/dbraw/zinc/81/08/27/732810827.db2.gz AJIVFFPNTIZOJZ-RFAUZJTJSA-N 0 0 364.243 2.860 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H](N(C)C)C(F)(F)F)c1 ZINC000926812461 738656826 /nfs/dbraw/zinc/65/68/26/738656826.db2.gz JOWDRWRZKHTUPQ-HZMBPMFUSA-N 0 0 363.380 2.644 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(F)F ZINC000881282658 733035181 /nfs/dbraw/zinc/03/51/81/733035181.db2.gz PICYCQGGNWTHNQ-TUAOUCFPSA-N 0 0 359.392 2.892 20 10 FFCDRN O=S(=O)(Nc1ccccc1)[C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000781920490 738672850 /nfs/dbraw/zinc/67/28/50/738672850.db2.gz LATFWQAGIVTTCT-KRWDZBQOSA-N 0 0 364.442 2.938 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CCCCNC(=O)OC(C)(C)C)c1 ZINC000782015097 738680604 /nfs/dbraw/zinc/68/06/04/738680604.db2.gz RFYLMWUYLXJIAL-UHFFFAOYSA-N 0 0 352.431 2.712 20 10 FFCDRN COC(=O)c1ncnc(N2CC=C(c3ccc(Cl)nc3)CC2)c1OC ZINC000882155853 733180292 /nfs/dbraw/zinc/18/02/92/733180292.db2.gz CLRSWADCOIAQDV-UHFFFAOYSA-N 0 0 360.801 2.614 20 10 FFCDRN CCOCCOCC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000927085597 738689498 /nfs/dbraw/zinc/68/94/98/738689498.db2.gz AUZSWMBENWDNQG-SNVBAGLBSA-N 0 0 350.228 2.998 20 10 FFCDRN O=C(COC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc(O)c(O)c1 ZINC000782199401 738697177 /nfs/dbraw/zinc/69/71/77/738697177.db2.gz NQARKRCRROSGMM-GFCCVEGCSA-N 0 0 362.765 2.728 20 10 FFCDRN O=C(COC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc(O)c(O)c1 ZINC000782199402 738697217 /nfs/dbraw/zinc/69/72/17/738697217.db2.gz NQARKRCRROSGMM-LBPRGKRZSA-N 0 0 362.765 2.728 20 10 FFCDRN CO[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883133390 733339815 /nfs/dbraw/zinc/33/98/15/733339815.db2.gz XPFCGWWSWQROMU-NOZJJQNGSA-N 0 0 364.667 2.949 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000883179778 733346843 /nfs/dbraw/zinc/34/68/43/733346843.db2.gz JEGHUJGMBDKALH-CQSZACIVSA-N 0 0 373.266 2.637 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3c(Cl)c(C)nn3C)C2)cc1 ZINC000888631116 734080302 /nfs/dbraw/zinc/08/03/02/734080302.db2.gz 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C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(F)F)cc2F)C[C@@H](C)O1 ZINC000728949572 734551328 /nfs/dbraw/zinc/55/13/28/734551328.db2.gz SRDRZNDOQZWRES-VXGBXAGGSA-N 0 0 359.392 2.846 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C2CCN(CC(F)(F)F)CC2)c1 ZINC000728978877 734552429 /nfs/dbraw/zinc/55/24/29/734552429.db2.gz VXFFNVIYIVCOTL-LLVKDONJSA-N 0 0 360.376 2.852 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](NC(C)=O)c2cccs2)c1 ZINC000728978933 734552525 /nfs/dbraw/zinc/55/25/25/734552525.db2.gz ACSCIUJJTRONFM-XHDPSFHLSA-N 0 0 362.451 2.907 20 10 FFCDRN Cc1nnc(CNCc2ccc(N3CCOCC3)cc2C(F)(F)F)s1 ZINC000892606680 734579824 /nfs/dbraw/zinc/57/98/24/734579824.db2.gz KTLDBQVNQBPDOX-UHFFFAOYSA-N 0 0 372.416 2.992 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc3c(c2)NC(=O)CS3)c1O ZINC000729550448 734583771 /nfs/dbraw/zinc/58/37/71/734583771.db2.gz HAEBCUPUCVWUFJ-UHFFFAOYSA-N 0 0 359.407 2.767 20 10 FFCDRN O=C(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1CCc2ccccc21 ZINC000729685053 734590305 /nfs/dbraw/zinc/59/03/05/734590305.db2.gz QDUGTRZGPJEWGZ-UHFFFAOYSA-N 0 0 361.785 2.633 20 10 FFCDRN O=C(COC(=O)C1=CC(=O)CS1)NCCCSc1ccccc1 ZINC000731909125 734704957 /nfs/dbraw/zinc/70/49/57/734704957.db2.gz ANRQCODMIOMLTL-UHFFFAOYSA-N 0 0 351.449 2.909 20 10 FFCDRN CC(C)N1C(=S)N=NC1[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000732306017 734731866 /nfs/dbraw/zinc/73/18/66/734731866.db2.gz UVHUOARCKYOXJV-JTQLQIEISA-N 0 0 352.485 2.935 20 10 FFCDRN COc1ccc(Cl)cc1CNC(=O)COC(=O)C1=CC(=O)CS1 ZINC000732355158 734737167 /nfs/dbraw/zinc/73/71/67/734737167.db2.gz FCGZTUQSVXQZIY-UHFFFAOYSA-N 0 0 355.799 2.589 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000893723839 734742235 /nfs/dbraw/zinc/74/22/35/734742235.db2.gz GEGAUFPGJWIALQ-OAHLLOKOSA-N 0 0 365.861 2.778 20 10 FFCDRN CNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894021716 734788074 /nfs/dbraw/zinc/78/80/74/734788074.db2.gz YSXICRAYKPUOCE-SECBINFHSA-N 0 0 361.667 2.766 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2cc(C(F)(F)F)ccc2F)SC1=S ZINC000733370165 734814574 /nfs/dbraw/zinc/81/45/74/734814574.db2.gz XILAJGQBBKOFGQ-RUDMXATFSA-N 0 0 364.345 2.531 20 10 FFCDRN Cc1ccncc1/C=C/C(=O)N1CCCc2ccc(S(C)(=O)=O)cc21 ZINC000783954573 738851320 /nfs/dbraw/zinc/85/13/20/738851320.db2.gz SIVBGJNGSPCJMT-SOFGYWHQSA-N 0 0 356.447 2.786 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccn(CC(F)(F)F)n2)c1 ZINC000894280766 734829974 /nfs/dbraw/zinc/82/99/74/734829974.db2.gz YJDPKGAHJBKDTR-JTQLQIEISA-N 0 0 357.332 2.580 20 10 FFCDRN O=C(C[C@H]1Oc2ccccc2NC1=O)NCCCSc1nccs1 ZINC000733973531 734864982 /nfs/dbraw/zinc/86/49/82/734864982.db2.gz OFHJJPDGOJKSQD-CYBMUJFWSA-N 0 0 363.464 2.531 20 10 FFCDRN C[C@H]1CCCC[C@H]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000734017144 734867735 /nfs/dbraw/zinc/86/77/35/734867735.db2.gz CEYFFHUOZVMHLB-STQMWFEESA-N 0 0 354.472 2.710 20 10 FFCDRN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CO1 ZINC000784122994 738863120 /nfs/dbraw/zinc/86/31/20/738863120.db2.gz 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CCOC(=O)[C@@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)CCO1 ZINC000741227784 735126302 /nfs/dbraw/zinc/12/63/02/735126302.db2.gz DSWLHIRDRZNRNS-HNNXBMFYSA-N 0 0 362.451 2.560 20 10 FFCDRN CCO[C@@H](C)c1noc(CN(C)c2cc(OC)c(OC)c(OC)c2)n1 ZINC000741798469 735162600 /nfs/dbraw/zinc/16/26/00/735162600.db2.gz HGXKIOCCTFCLFY-NSHDSACASA-N 0 0 351.403 2.829 20 10 FFCDRN C[C@]1(C2CC[NH+](Cc3cccc(Br)c3[O-])CC2)COC(=O)N1 ZINC000896461490 735165434 /nfs/dbraw/zinc/16/54/34/735165434.db2.gz WZKCBTADYMETGK-MRXNPFEDSA-N 0 0 369.259 2.865 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000897104202 735194659 /nfs/dbraw/zinc/19/46/59/735194659.db2.gz DBSOCCFVTBDWRY-AMIZOPFISA-N 0 0 361.341 2.840 20 10 FFCDRN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@@H]2C1 ZINC000897205701 735206104 /nfs/dbraw/zinc/20/61/04/735206104.db2.gz OAAYZYJHJNNEKZ-LALPHHSUSA-N 0 0 363.435 2.721 20 10 FFCDRN CN(C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000742750032 735253690 /nfs/dbraw/zinc/25/36/90/735253690.db2.gz LPBGMRXEAIERAF-OAHLLOKOSA-N 0 0 350.463 2.590 20 10 FFCDRN C[C@@H]1OCC[C@@]12CN(C(=O)c1cc3cc(O)c(O)cc3s1)C[C@@H](C)O2 ZINC000897611827 735254283 /nfs/dbraw/zinc/25/42/83/735254283.db2.gz XJFXHIAHNLEEKZ-LIBAHTEVSA-N 0 0 363.435 2.721 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1c(Br)nc2n1CCCC2 ZINC000928706833 738897632 /nfs/dbraw/zinc/89/76/32/738897632.db2.gz VZIPUDFRWXQAQS-UHFFFAOYSA-N 0 0 368.206 2.757 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1noc2c1CCCC2 ZINC000900273546 735622694 /nfs/dbraw/zinc/62/26/94/735622694.db2.gz JDFJTYBHYGEEFD-UHFFFAOYSA-N 0 0 361.785 2.881 20 10 FFCDRN CSc1nc2ccc(NC(=O)C(=O)NCc3ccccc3O)cc2s1 ZINC000748486086 735649464 /nfs/dbraw/zinc/64/94/64/735649464.db2.gz MOJHCQHBZTVPRQ-UHFFFAOYSA-N 0 0 373.459 2.979 20 10 FFCDRN Cc1cc(Br)ccc1NC(=O)C(=O)NCc1ccccc1O ZINC000748486707 735649783 /nfs/dbraw/zinc/64/97/83/735649783.db2.gz UEQHVWHMOQJAMA-UHFFFAOYSA-N 0 0 363.211 2.718 20 10 FFCDRN Cc1c[nH]c(CC(N)=O)c1C(=O)N(C)c1cccc(OC(F)(F)F)c1 ZINC000900561414 735661740 /nfs/dbraw/zinc/66/17/40/735661740.db2.gz IUIVJMZHAXOIOA-UHFFFAOYSA-N 0 0 355.316 2.526 20 10 FFCDRN Cc1cc(C(=O)OCCCS(N)(=O)=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000750411782 735790164 /nfs/dbraw/zinc/79/01/64/735790164.db2.gz LRKBAHWHMSAJIQ-UHFFFAOYSA-N 0 0 364.467 2.546 20 10 FFCDRN CCOC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2O)ccc1F ZINC000751236702 735855990 /nfs/dbraw/zinc/85/59/90/735855990.db2.gz YMSNXUVYBFHZTC-UHFFFAOYSA-N 0 0 367.398 2.529 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2cc(C)c(OC)c(C)c2)c1O ZINC000751308675 735863282 /nfs/dbraw/zinc/86/32/82/735863282.db2.gz AVRNDWCHQDHEDB-UHFFFAOYSA-N 0 0 351.424 2.505 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000751318620 735863515 /nfs/dbraw/zinc/86/35/15/735863515.db2.gz NBBSZBHDDLPONV-LBPRGKRZSA-N 0 0 358.419 2.989 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2cccc3ccc(C)nc32)c1 ZINC000751415785 735871629 /nfs/dbraw/zinc/87/16/29/735871629.db2.gz XESKJTFYFHNGQS-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCC(=O)OCc1ccc(Cl)cc1 ZINC000753339666 736057434 /nfs/dbraw/zinc/05/74/34/736057434.db2.gz QGGHPJXCBQFXDJ-XBXARRHUSA-N 0 0 361.781 2.624 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2c(Cl)nc(Cl)n2C)cc1 ZINC000753592275 736080218 /nfs/dbraw/zinc/08/02/18/736080218.db2.gz VKZVUCJNSWGXAQ-UHFFFAOYSA-N 0 0 358.225 2.915 20 10 FFCDRN C[C@@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000903432738 736093046 /nfs/dbraw/zinc/09/30/46/736093046.db2.gz QHVQQRXFNAHSAE-SECBINFHSA-N 0 0 358.225 2.702 20 10 FFCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1 ZINC000754008025 736115143 /nfs/dbraw/zinc/11/51/43/736115143.db2.gz DNCWDIVUDAPGGX-RDJZCZTQSA-N 0 0 367.511 2.937 20 10 FFCDRN COC(=O)c1nc([C@H]2CCCN2C(=O)C2=CC(=O)CS2)sc1C ZINC000792675114 739691747 /nfs/dbraw/zinc/69/17/47/739691747.db2.gz ZRALLLGULQRKSS-SNVBAGLBSA-N 0 0 352.437 2.983 20 10 FFCDRN O=C([O-])[C@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccsc1 ZINC000756362224 736325366 /nfs/dbraw/zinc/32/53/66/736325366.db2.gz ONFMGCPKGXBQQV-MRXNPFEDSA-N 0 0 350.415 2.639 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)CN1CCCC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756448285 736332223 /nfs/dbraw/zinc/33/22/23/736332223.db2.gz BDBBJGJDQOPPCM-VHSXEESVSA-N 0 0 359.239 2.955 20 10 FFCDRN C[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1cc(F)cc(F)c1[O-] ZINC000756455995 736332724 /nfs/dbraw/zinc/33/27/24/736332724.db2.gz LMPFRFREHKGXBL-SJKOYZFVSA-N 0 0 358.454 2.529 20 10 FFCDRN COc1cccc(C(=O)NCC[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756481192 736335205 /nfs/dbraw/zinc/33/52/05/736335205.db2.gz VUKGJWXPDGWVEU-LLVKDONJSA-N 0 0 350.365 2.760 20 10 FFCDRN Nc1c(Cl)cc(N2C(=O)N[C@H](CC3CCOCC3)C2=O)cc1Cl ZINC000905458145 736343163 /nfs/dbraw/zinc/34/31/63/736343163.db2.gz CQJSASJAMMRYCU-GFCCVEGCSA-N 0 0 358.225 2.817 20 10 FFCDRN COC[C@@](C)(O)C[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756578933 736344713 /nfs/dbraw/zinc/34/47/13/736344713.db2.gz YORYVNGCTKQBNN-OQPBUACISA-N 0 0 352.656 2.856 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)cc(F)c1[O-] ZINC000756641895 736349183 /nfs/dbraw/zinc/34/91/83/736349183.db2.gz ZFLLCZDFEWUWPU-MRVPVSSYSA-N 0 0 368.206 2.639 20 10 FFCDRN COCCOC[C@H](C)[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756732912 736356255 /nfs/dbraw/zinc/35/62/55/736356255.db2.gz KUXCHQWAIVGJKX-VHSXEESVSA-N 0 0 350.228 2.996 20 10 FFCDRN CCn1cnnc1CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756734587 736356691 /nfs/dbraw/zinc/35/66/91/736356691.db2.gz XXTDVRPVOWEEFI-VIFPVBQESA-N 0 0 357.227 2.799 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000756739163 736357116 /nfs/dbraw/zinc/35/71/16/736357116.db2.gz UAEWKUPQWOOYGC-YMTOWFKASA-N 0 0 362.239 2.732 20 10 FFCDRN C[C@@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000756739161 736357279 /nfs/dbraw/zinc/35/72/79/736357279.db2.gz UAEWKUPQWOOYGC-OTYXRUKQSA-N 0 0 362.239 2.732 20 10 FFCDRN C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cc(Br)cc(Cl)c1[O-] ZINC000756776836 736360640 /nfs/dbraw/zinc/36/06/40/736360640.db2.gz SCLXGMRVZJAVSZ-OQPBUACISA-N 0 0 374.666 2.926 20 10 FFCDRN C[C@@H]([NH2+][C@@H](CO)C1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000757659274 736417164 /nfs/dbraw/zinc/41/71/64/736417164.db2.gz LLWPGWKNWSACIB-OTYXRUKQSA-N 0 0 362.239 2.732 20 10 FFCDRN Oc1ccccc1CN(C[C@@H]1CCCO1)C(=S)NC[C@@H]1CCCCO1 ZINC000758176087 736459342 /nfs/dbraw/zinc/45/93/42/736459342.db2.gz OFMGIPZVRYCVMW-IRXDYDNUSA-N 0 0 364.511 2.817 20 10 FFCDRN O=C(C[C@H](O)C(Cl)(Cl)Cl)NCCCSc1nccs1 ZINC000906668986 736531859 /nfs/dbraw/zinc/53/18/59/736531859.db2.gz CFQKVXCBGJHJJF-ZETCQYMHSA-N 0 0 363.719 2.863 20 10 FFCDRN Cc1ccccc1[C@H](CO)NC(=O)NCCCSc1nccs1 ZINC000759589232 736579115 /nfs/dbraw/zinc/57/91/15/736579115.db2.gz GEJSTXAGRPRLMD-AWEZNQCLSA-N 0 0 351.497 2.967 20 10 FFCDRN Cc1cc(CC(=O)N(C)[C@H]2CCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000760117105 736616139 /nfs/dbraw/zinc/61/61/39/736616139.db2.gz WIDPNLQYIYBORX-KRWDZBQOSA-N 0 0 359.857 2.637 20 10 FFCDRN CCO[C@@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C)C ZINC000760383140 736634213 /nfs/dbraw/zinc/63/42/13/736634213.db2.gz YYVDOVSDDBWRED-SFHVURJKSA-N 0 0 352.450 2.730 20 10 FFCDRN COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1O ZINC000761198103 736706060 /nfs/dbraw/zinc/70/60/60/736706060.db2.gz HFABKXGDASRYCH-ZFWWWQNUSA-N 0 0 359.875 2.596 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCSC3)cc2F)C[C@H](C)O1 ZINC000761987437 736779749 /nfs/dbraw/zinc/77/97/49/736779749.db2.gz RFROVMAMWSVWQL-VNHYZAJKSA-N 0 0 352.475 2.809 20 10 FFCDRN NC(=O)[C@@H](OC(=O)C1=CC(=O)CS1)c1cccc(Br)c1 ZINC000763690328 736959460 /nfs/dbraw/zinc/95/94/60/736959460.db2.gz CIYSOTYQJHTWIX-NSHDSACASA-N 0 0 356.197 2.600 20 10 FFCDRN CCN(CCc1cccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000763689643 736959499 /nfs/dbraw/zinc/95/94/99/736959499.db2.gz GZRUAQLZLQEXAW-UHFFFAOYSA-N 0 0 368.480 2.530 20 10 FFCDRN COCCSc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1O ZINC000764068741 736989282 /nfs/dbraw/zinc/98/92/82/736989282.db2.gz 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ISLMZVHWCUOEPU-UHFFFAOYSA-N 0 0 357.332 2.998 20 10 FFCDRN CN(CCCCC(=O)NCc1ccc(O)cc1O)C(=O)OC(C)(C)C ZINC000910955824 737149344 /nfs/dbraw/zinc/14/93/44/737149344.db2.gz GNKWGSFHAOTXIH-UHFFFAOYSA-N 0 0 352.431 2.751 20 10 FFCDRN COc1ccc(O)cc1C(=O)NCc1cccc(Br)c1O ZINC000765727738 737149731 /nfs/dbraw/zinc/14/97/31/737149731.db2.gz OPQVWSPMOKWDSL-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cc(-n2ccnc2)ccn1 ZINC000765746213 737152531 /nfs/dbraw/zinc/15/25/31/737152531.db2.gz DWSOZEJDXGQDDI-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1ncn(-c2ccccc2)n1 ZINC000765747032 737152978 /nfs/dbraw/zinc/15/29/78/737152978.db2.gz KELLKZTYYGKGFV-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN O=C(Cc1c[nH]c2ncccc12)NCc1cccc(Br)c1O ZINC000765764110 737155684 /nfs/dbraw/zinc/15/56/84/737155684.db2.gz JFYVQFOUXIQKTR-UHFFFAOYSA-N 0 0 360.211 2.890 20 10 FFCDRN CC(C)c1cc(C(=O)NCc2cccc(Br)c2O)nn1C ZINC000765766015 737155869 /nfs/dbraw/zinc/15/58/69/737155869.db2.gz 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CCN(C[C@H](C)OC)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000813037085 741670405 /nfs/dbraw/zinc/67/04/05/741670405.db2.gz HEBWRFWJEMIPKP-HNNXBMFYSA-N 0 0 351.516 2.806 20 10 FFCDRN CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000814379483 741815562 /nfs/dbraw/zinc/81/55/62/741815562.db2.gz GTVUTBXEUVMBJZ-UHFFFAOYSA-N 0 0 359.741 2.980 20 10 FFCDRN CCn1cc([C@@H]2C[S@@](=O)CCN2Cc2ccc(N(C)C)c(C)c2)cn1 ZINC000815101542 741901430 /nfs/dbraw/zinc/90/14/30/741901430.db2.gz DDZFPVFKIQWTAE-DFBJGRDBSA-N 0 0 360.527 2.583 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cccc(F)c1Br ZINC000815833760 741964197 /nfs/dbraw/zinc/96/41/97/741964197.db2.gz CJKWJRKVZZLSNF-UHFFFAOYSA-N 0 0 354.175 2.972 20 10 FFCDRN CC(C)(C)OC(=O)N1CC2(C1)CN(Cc1cc(Cl)ccc1O)CCO2 ZINC000816630509 742049297 /nfs/dbraw/zinc/04/92/97/742049297.db2.gz GRZAIWGUNFDDJQ-UHFFFAOYSA-N 0 0 368.861 2.867 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1ccnc(-c2ncc[nH]2)c1 ZINC000816653837 742051068 /nfs/dbraw/zinc/05/10/68/742051068.db2.gz KBQGMTROGCCOQB-UHFFFAOYSA-N 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CCOc1ccc(O)c(CNc2cccc(S(=O)(=O)N(C)C)c2C)c1 ZINC000825289889 743242238 /nfs/dbraw/zinc/24/22/38/743242238.db2.gz JBQYVMINJNEVHO-UHFFFAOYSA-N 0 0 364.467 2.962 20 10 FFCDRN COc1ccc(NC(=O)[C@H]2CSCN2C(=O)C2=CC(=O)CS2)cc1 ZINC000825692228 743312402 /nfs/dbraw/zinc/31/24/02/743312402.db2.gz GEXCYYKACDZVBV-CYBMUJFWSA-N 0 0 364.448 2.616 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Cc2ccc(OC)c(OC)c2Cl)c1 ZINC000825839758 743332754 /nfs/dbraw/zinc/33/27/54/743332754.db2.gz OHSXPBJFGABOHL-UHFFFAOYSA-N 0 0 365.813 2.930 20 10 FFCDRN COC(=O)[C@@](C)(CCF)NCc1cc(Br)cc(OC)c1O ZINC000827352312 743561313 /nfs/dbraw/zinc/56/13/13/743561313.db2.gz FDEAOJGJSDYSEV-CQSZACIVSA-N 0 0 364.211 2.544 20 10 FFCDRN CN(C)C(=O)C1CCC(C(=O)NCCCSc2nccs2)CC1 ZINC000827475300 743584763 /nfs/dbraw/zinc/58/47/63/743584763.db2.gz WSBRDYNJODXHJV-UHFFFAOYSA-N 0 0 355.529 2.636 20 10 FFCDRN CCS(=O)(=O)C[C@H](C)NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC000827692885 744961179 /nfs/dbraw/zinc/96/11/79/744961179.db2.gz RLCHUTCXZGOAAZ-AWEZNQCLSA-N 0 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746687163 /nfs/dbraw/zinc/68/71/63/746687163.db2.gz BSZFDPACBFWQDP-YJBOKZPZSA-N 0 0 350.459 2.755 20 10 FFCDRN CO[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2O)C12CCC2 ZINC000838766283 746709340 /nfs/dbraw/zinc/70/93/40/746709340.db2.gz LOXKCNYYKCBMRU-STQMWFEESA-N 0 0 369.259 2.912 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccn(CC(F)F)n1 ZINC000839921504 746960610 /nfs/dbraw/zinc/96/06/10/746960610.db2.gz KBZOVHVLISQCDF-ZDUSSCGKSA-N 0 0 350.413 2.884 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c(O)c(C(C)(C)C)c1 ZINC000840146548 747019266 /nfs/dbraw/zinc/01/92/66/747019266.db2.gz QLWVTLQTPAHVSR-DLBZAZTESA-N 0 0 367.511 2.850 20 10 FFCDRN C[C@@H]1C[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)O1 ZINC000840259276 747050375 /nfs/dbraw/zinc/05/03/75/747050375.db2.gz XSIDEVOAOXGPEQ-VYDXJSESSA-N 0 0 363.527 2.853 20 10 FFCDRN C[C@@H](O)[C@H]1CCN(c2cc(NCCCSc3nccs3)ncn2)C1 ZINC000840259420 747050472 /nfs/dbraw/zinc/05/04/72/747050472.db2.gz DPAXTSACUGCSPF-OLZOCXBDSA-N 0 0 365.528 2.735 20 10 FFCDRN CCOc1cncc(NCc2cc(F)c(N3CCOCC3)c(F)c2)n1 ZINC000840326418 747066383 /nfs/dbraw/zinc/06/63/83/747066383.db2.gz UNPJOAUJYPIZJC-UHFFFAOYSA-N 0 0 350.369 2.602 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CS1 ZINC000840415846 747087597 /nfs/dbraw/zinc/08/75/97/747087597.db2.gz ISIQOLYAFHAZMG-BMFZPTHFSA-N 0 0 350.484 2.977 20 10 FFCDRN Cc1nc(=NCc2ccc(N3CCCCC3)c(Br)c2)n(C)[nH]1 ZINC000840882114 747210951 /nfs/dbraw/zinc/21/09/51/747210951.db2.gz MHGWDLYMZKTHNG-UHFFFAOYSA-N 0 0 364.291 2.910 20 10 FFCDRN COCc1cc(O)ccc1NS(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000840915381 747223299 /nfs/dbraw/zinc/22/32/99/747223299.db2.gz PXAWOGILVAJLNA-UHFFFAOYSA-N 0 0 366.395 2.864 20 10 FFCDRN COCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(C)c1C ZINC000840915724 747223497 /nfs/dbraw/zinc/22/34/97/747223497.db2.gz SODDOPQCUCJCLU-UHFFFAOYSA-N 0 0 351.424 2.965 20 10 FFCDRN COC(=O)[C@@H](CC1CC1)NCc1cc(Br)cc(OC)c1O ZINC000840957196 747242020 /nfs/dbraw/zinc/24/20/20/747242020.db2.gz 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Cc1ccc(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)c(O)c1O ZINC000185447570 983885750 /nfs/dbraw/zinc/88/57/50/983885750.db2.gz SPCPSNZNXAUWSL-UHFFFAOYSA-N 0 0 370.327 2.715 20 10 FFCDRN CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000785423301 983916291 /nfs/dbraw/zinc/91/62/91/983916291.db2.gz WCEZBIUVVOZUHC-HXUWFJFHSA-N 0 0 367.493 2.925 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cc(=O)[nH]c4cc(F)ccc43)ccc21 ZINC000151045676 984167488 /nfs/dbraw/zinc/16/74/88/984167488.db2.gz PFXOWKACIJGOIU-UHFFFAOYSA-N 0 0 365.408 2.980 20 10 FFCDRN CCCCn1ncc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1C ZINC000151461873 984292108 /nfs/dbraw/zinc/29/21/08/984292108.db2.gz PAIIEFAWXXQIPV-UHFFFAOYSA-N 0 0 371.485 2.655 20 10 FFCDRN NC(=O)NC(=O)CCSc1ncc(-c2ccccc2)n1Cc1ccco1 ZINC000054782249 984301401 /nfs/dbraw/zinc/30/14/01/984301401.db2.gz TWWHMHGRNXLCSQ-UHFFFAOYSA-N 0 0 370.434 2.869 20 10 FFCDRN Cc1c(C(=O)NCCc2ccc(O)c(O)c2)cnn1-c1ccccc1C ZINC000156675128 984362913 /nfs/dbraw/zinc/36/29/13/984362913.db2.gz 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CCOC(=O)[C@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000057650275 984510994 /nfs/dbraw/zinc/51/09/94/984510994.db2.gz SSEGJABUVXBDRB-KRWDZBQOSA-N 0 0 359.470 2.554 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cn2ccccc2n1 ZINC000760954097 984598300 /nfs/dbraw/zinc/59/83/00/984598300.db2.gz WGRAISDVIXTZPQ-UHFFFAOYSA-N 0 0 370.796 2.658 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Nc3ccc(F)c(C(N)=O)c3)ccc21 ZINC000058622368 984625955 /nfs/dbraw/zinc/62/59/55/984625955.db2.gz ANJSYNJRHHBMKJ-UHFFFAOYSA-N 0 0 356.401 2.629 20 10 FFCDRN Cc1nn2c(nc(C)cc2C)c1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000058974384 984700000 /nfs/dbraw/zinc/70/00/00/984700000.db2.gz ZGOWISUIVWTTMP-UHFFFAOYSA-N 0 0 355.417 2.790 20 10 FFCDRN CCO[C@@H]1C[C@]2(NC(=O)N(Cc3ccc(N(C)C)c(F)c3)C2=O)C1(C)C ZINC000761179048 984878023 /nfs/dbraw/zinc/87/80/23/984878023.db2.gz NCRFHOUEPVETBZ-DNVCBOLYSA-N 0 0 363.433 2.517 20 10 FFCDRN C/C=C(/C=C/C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)CC ZINC000764969757 984894427 /nfs/dbraw/zinc/89/44/27/984894427.db2.gz 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FFCDRN Cc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c(C)n1-c1cccc(C(C)C)c1 ZINC000153261469 987822699 /nfs/dbraw/zinc/82/26/99/987822699.db2.gz KVBHMULWIRBAFW-SFHVURJKSA-N 0 0 367.449 2.753 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000761967104 988004006 /nfs/dbraw/zinc/00/40/06/988004006.db2.gz HPDNENQQZZCCFX-LBPRGKRZSA-N 0 0 368.389 2.545 20 10 FFCDRN CCC(=O)N1CC[C@@H](NC(=O)N(C)Cc2ccc(N(CC)CC)cc2)C1 ZINC000762082797 988110352 /nfs/dbraw/zinc/11/03/52/988110352.db2.gz LRZBUOAJGHSSFP-QGZVFWFLSA-N 0 0 360.502 2.685 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1Cc2ccccc2C1 ZINC000762229723 988226976 /nfs/dbraw/zinc/22/69/76/988226976.db2.gz DRWRXRASAQBTCC-UHFFFAOYSA-N 0 0 373.836 2.962 20 10 FFCDRN CCN(CCC(=O)NC)C(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000888275819 988305536 /nfs/dbraw/zinc/30/55/36/988305536.db2.gz BFOUTZNKXIKCIU-UHFFFAOYSA-N 0 0 355.438 2.505 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2[C@H]1CCN(c2ccccc2F)C1=O ZINC000762340247 988320502 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CC(C)Oc1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1 ZINC000778536593 1022078174 /nfs/dbraw/zinc/07/81/74/1022078174.db2.gz YNYJVYHULZBDNF-UHFFFAOYSA-N 0 0 370.453 2.532 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)CC(F)F ZINC001118230521 1022133968 /nfs/dbraw/zinc/13/39/68/1022133968.db2.gz QLCCWLLMBNFBDJ-CQSZACIVSA-N 0 0 369.456 2.897 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](CO)[C@H](CO)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000829161456 1033032623 /nfs/dbraw/zinc/03/26/23/1033032623.db2.gz OZAZFSHFCFZDGK-KDURUIRLSA-N 0 0 370.493 2.890 20 10 FFCDRN COC1CCC(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000155801314 1022291912 /nfs/dbraw/zinc/29/19/12/1022291912.db2.gz OKRJVFKBOGZXIM-UHFFFAOYSA-N 0 0 364.461 2.874 20 10 FFCDRN COc1ccc(CNc2nc3c(cnn3C(C)(C)C)c(OC)n2)c(O)c1 ZINC001118591356 1022303485 /nfs/dbraw/zinc/30/34/85/1022303485.db2.gz BVLYQOXZPFABOQ-UHFFFAOYSA-N 0 0 357.414 2.916 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)O[C@@H]3CCCN(C)C3=O)ccc21 ZINC000778794802 1022377660 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FFCDRN CCOCCNC(=O)COC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000753441508 1023328051 /nfs/dbraw/zinc/32/80/51/1023328051.db2.gz KOFFPZSMXCMLSS-UHFFFAOYSA-N 0 0 358.438 2.712 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N)cc1)c1cccc(N2CCCC2=O)c1 ZINC001120493520 1023340380 /nfs/dbraw/zinc/34/03/80/1023340380.db2.gz XKLCOTSMCBHJIZ-AWEZNQCLSA-N 0 0 352.438 2.956 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)/C=C3\CC[C@@H](C)C3)CC2)cc1 ZINC000753595893 1023357177 /nfs/dbraw/zinc/35/71/77/1023357177.db2.gz LGCNTTBQGLYDCV-GROYHEBESA-N 0 0 357.498 2.680 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1ccc(C(N)=O)nc1 ZINC000753647465 1023363314 /nfs/dbraw/zinc/36/33/14/1023363314.db2.gz JFSFJIHMRKXUSX-UHFFFAOYSA-N 0 0 362.433 2.826 20 10 FFCDRN COc1ccc(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1F ZINC000753737775 1023374065 /nfs/dbraw/zinc/37/40/65/1023374065.db2.gz DIWWODQSASFHKL-UHFFFAOYSA-N 0 0 362.376 2.944 20 10 FFCDRN O=C(c1cc2n[nH]nc2cc1F)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000753838484 1023388049 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CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cccc(C#N)c1C ZINC000190492055 1023647170 /nfs/dbraw/zinc/64/71/70/1023647170.db2.gz PXLYUYKOLDKXKB-UHFFFAOYSA-N 0 0 351.406 2.950 20 10 FFCDRN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000755910442 1023649311 /nfs/dbraw/zinc/64/93/11/1023649311.db2.gz IFFGOVXVHZRPMS-INIZCTEOSA-N 0 0 363.477 2.974 20 10 FFCDRN O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc(O)cc(OC[C@H]3C[C@@H](O)C3)c21 ZINC001218432925 1033152906 /nfs/dbraw/zinc/15/29/06/1033152906.db2.gz SBKJXEZGQDBQGI-YOIRWDDOSA-N 0 0 372.373 2.660 20 10 FFCDRN COC(=O)c1sccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001123581618 1023880174 /nfs/dbraw/zinc/88/01/74/1023880174.db2.gz AAHBECMYXUQBDP-UHFFFAOYSA-N 0 0 374.462 2.644 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NC3(CCO)CCOCC3)c2C)cc1 ZINC000779450289 1023897275 /nfs/dbraw/zinc/89/72/75/1023897275.db2.gz VANGGMYWNLEMGE-UHFFFAOYSA-N 0 0 372.465 2.764 20 10 FFCDRN CCOC(=O)COc1cccc(NC(=O)/C=C\c2ccc(O)c(O)c2)c1 ZINC000779476487 1023922627 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COC(=O)CCOc1ccc(NC(=O)/C=C\c2ccc(O)c(O)c2)cc1 ZINC000779506601 1023945388 /nfs/dbraw/zinc/94/53/88/1023945388.db2.gz QYTKMWKFNHNBAU-OQFOIZHKSA-N 0 0 357.362 2.692 20 10 FFCDRN COC(=O)CCOc1ccc(NC(=O)/C=C/c2ccc(O)c(O)c2)cc1 ZINC000779506602 1023945537 /nfs/dbraw/zinc/94/55/37/1023945537.db2.gz QYTKMWKFNHNBAU-YCRREMRBSA-N 0 0 357.362 2.692 20 10 FFCDRN CC[C@@](NC(=O)/C=C\c1ccc(O)c(O)c1)(C(=O)OC)c1ccccc1 ZINC000779515153 1023947785 /nfs/dbraw/zinc/94/77/85/1023947785.db2.gz OKGKBNAHWDOTNH-ZZLBYYGFSA-N 0 0 355.390 2.706 20 10 FFCDRN CC[C@](NC(=O)/C=C\c1ccc(O)c(O)c1)(C(=O)OC)c1ccccc1 ZINC000779515149 1023947793 /nfs/dbraw/zinc/94/77/93/1023947793.db2.gz OKGKBNAHWDOTNH-QXHGNLAOSA-N 0 0 355.390 2.706 20 10 FFCDRN Cc1nn(C)c(C)c1[C@H](NC(=O)/C=C\c1ccc(O)c(O)c1)C(F)(F)F ZINC000779530002 1023960390 /nfs/dbraw/zinc/96/03/90/1023960390.db2.gz GEYGRPAJAYAJOT-WRLNGNIRSA-N 0 0 369.343 2.881 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000779531638 1023968504 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C[C@@H](NC(=O)[C@@H]1Cc2cc(F)ccc2NC1=O)c1ccc(N(C)C)cc1 ZINC001154668394 1028398245 /nfs/dbraw/zinc/39/82/45/1028398245.db2.gz GGJLCQIRZIIEKR-PXAZEXFGSA-N 0 0 355.413 2.880 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)N[C@]1(C)CCN(C(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000957659781 1028479873 /nfs/dbraw/zinc/47/98/73/1028479873.db2.gz JLLHNYIVZOINAU-KPAZRMRSSA-N 0 0 371.441 2.616 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(C)(NC(=O)c2cccc(O)c2O)CC1 ZINC001154885880 1028499003 /nfs/dbraw/zinc/49/90/03/1028499003.db2.gz RSYNHIMGCAXBBQ-UHFFFAOYSA-N 0 0 350.415 2.617 20 10 FFCDRN O=C(NCc1ccc2c(c1)CCC2)c1cc2cc(O)c(O)cc2oc1=O ZINC001155218375 1028630314 /nfs/dbraw/zinc/63/03/14/1028630314.db2.gz SVPLXARWEZRJTF-UHFFFAOYSA-N 0 0 351.358 2.623 20 10 FFCDRN Cc1cccnc1[C@@H](NC(=O)c1cc2cc(O)c(O)cc2oc1=O)C1CC1 ZINC001155234021 1028639779 /nfs/dbraw/zinc/63/97/79/1028639779.db2.gz IYAJJAIVNAIHGA-SFHVURJKSA-N 0 0 366.373 2.789 20 10 FFCDRN COc1cccc(O)c1CNc1cccc(N2CCN(C(C)=O)CC2)c1 ZINC000780559927 1028735107 /nfs/dbraw/zinc/73/51/07/1028735107.db2.gz KLIIKVWVYATUFY-UHFFFAOYSA-N 0 0 355.438 2.681 20 10 FFCDRN COc1ccc(CNC(=O)c2ccnn2CCc2ccccc2)c(O)c1 ZINC001155573943 1028795840 /nfs/dbraw/zinc/79/58/40/1028795840.db2.gz DQJGFUBCWURYCD-UHFFFAOYSA-N 0 0 351.406 2.770 20 10 FFCDRN CCNC(=O)COc1ccc(CN(C)c2ccc3c(c2)OCO3)cc1OC ZINC000780778760 1028808539 /nfs/dbraw/zinc/80/85/39/1028808539.db2.gz SCQLMCVZWCHOJD-UHFFFAOYSA-N 0 0 372.421 2.575 20 10 FFCDRN Cc1ccc(C(=O)Nc2ccccc2C(=O)NCC(F)(F)F)c(O)c1O ZINC000780864024 1028837238 /nfs/dbraw/zinc/83/72/38/1028837238.db2.gz VCKBQMKVIDKDLF-UHFFFAOYSA-N 0 0 368.311 2.951 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(O)c1O ZINC000780911326 1028862842 /nfs/dbraw/zinc/86/28/42/1028862842.db2.gz MAYILOUMPHPKBH-AWEZNQCLSA-N 0 0 356.422 2.734 20 10 FFCDRN C[C@H](NC(=O)CN1CC[C@@H](c2ccccc2)NC1=O)c1ccccc1O ZINC000827960084 1028918512 /nfs/dbraw/zinc/91/85/12/1028918512.db2.gz ISWOMUDMVHKKSN-YOEHRIQHSA-N 0 0 353.422 2.726 20 10 FFCDRN Cc1nc2cc(F)ccc2cc1C(=O)NCCc1cc(O)c(O)cc1O ZINC001155904576 1028967963 /nfs/dbraw/zinc/96/79/63/1028967963.db2.gz SDVRGNQCGRJVFP-UHFFFAOYSA-N 0 0 356.353 2.772 20 10 FFCDRN CCOC(=O)c1cnc(C2CC2)nc1N1CCCc2cc(O)c(O)cc2C1 ZINC001155940963 1028983769 /nfs/dbraw/zinc/98/37/69/1028983769.db2.gz DBSZJMUHXQCLLD-UHFFFAOYSA-N 0 0 369.421 2.895 20 10 FFCDRN Cc1c(C(=O)NCc2c(O)cccc2F)nnn1-c1ccc(F)c(F)c1 ZINC001156170845 1029074644 /nfs/dbraw/zinc/07/46/44/1029074644.db2.gz UYZVVLVXPPJJGD-UHFFFAOYSA-N 0 0 362.311 2.629 20 10 FFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1cccc2c1CNC2=O ZINC001156557120 1029245270 /nfs/dbraw/zinc/24/52/70/1029245270.db2.gz KPYYITIVOBXJNN-UHFFFAOYSA-N 0 0 367.792 2.767 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](O)c2ccnn2C)c(C)n1-c1cc(C)cc(C)c1 ZINC001156707823 1029314183 /nfs/dbraw/zinc/31/41/83/1029314183.db2.gz NHPCIFZZCCUESI-FQEVSTJZSA-N 0 0 366.465 2.908 20 10 FFCDRN Nc1nc(Cl)ccc1C(=O)NCc1cccc(Br)c1O ZINC001156789764 1029347636 /nfs/dbraw/zinc/34/76/36/1029347636.db2.gz BXMFYKIYXJKQFQ-UHFFFAOYSA-N 0 0 356.607 2.715 20 10 FFCDRN Cc1cc(C(=O)N2CCC3(CNC(=O)O3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000781855164 1029444002 /nfs/dbraw/zinc/44/40/02/1029444002.db2.gz YXWLAQHPGSPOTO-UHFFFAOYSA-N 0 0 371.412 2.948 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)[C@]1(C2CCCC2)CCNC1=O ZINC001157042072 1029449341 /nfs/dbraw/zinc/44/93/41/1029449341.db2.gz VYGIYUWUXDENKW-NRFANRHFSA-N 0 0 352.434 2.858 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC001157102695 1029467110 /nfs/dbraw/zinc/46/71/10/1029467110.db2.gz PMIUOCMOMMGTPF-UHFFFAOYSA-N 0 0 366.410 2.834 20 10 FFCDRN Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)c(C)n1-c1ccccn1 ZINC000782699859 1029788697 /nfs/dbraw/zinc/78/86/97/1029788697.db2.gz FRNJCFBVUZMITP-UHFFFAOYSA-N 0 0 366.373 2.940 20 10 FFCDRN O=C(COc1ccc(C(F)(F)F)cc1)OCC(=O)c1ccc(O)c(O)c1 ZINC000783043595 1029883003 /nfs/dbraw/zinc/88/30/03/1029883003.db2.gz VETCCWCIUFIMGG-UHFFFAOYSA-N 0 0 370.279 2.922 20 10 FFCDRN COc1cc([C@H](C)NC(=O)C(=O)Nc2ccc(N)cc2)ccc1OC(C)C 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2.872 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2ccc3ccc(=O)n(C)c3c2)cc1 ZINC000783643915 1030207587 /nfs/dbraw/zinc/20/75/87/1030207587.db2.gz TZWCBMYHMHVSOE-UHFFFAOYSA-N 0 0 350.422 2.926 20 10 FFCDRN CCOC(=O)/C(=C/c1cnnn1CC)c1nccn1Cc1ccccc1 ZINC000841485402 1030315111 /nfs/dbraw/zinc/31/51/11/1030315111.db2.gz JNGMHVINXIQTQF-SFQUDFHCSA-N 0 0 351.410 2.647 20 10 FFCDRN COC(=O)c1ccnc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000841686740 1030404156 /nfs/dbraw/zinc/40/41/56/1030404156.db2.gz SEXXIAYVVVRDBF-AWEZNQCLSA-N 0 0 370.453 2.995 20 10 FFCDRN COc1ccc2c(c1)CCN(c1cc3c(cc1[N+](=O)[O-])OCC(=O)N3)CC2 ZINC000784022245 1030422277 /nfs/dbraw/zinc/42/22/77/1030422277.db2.gz YYLAFZJUQRZQJY-UHFFFAOYSA-N 0 0 369.377 2.540 20 10 FFCDRN CCOCCCn1c(-c2ncccn2)nnc1N(C)Cc1ccccc1O ZINC000841789205 1030468541 /nfs/dbraw/zinc/46/85/41/1030468541.db2.gz OFYJUNNSASUTEE-UHFFFAOYSA-N 0 0 368.441 2.504 20 10 FFCDRN COc1ccc2c(c1)CCCN2C[C@H](O)COc1ccccc1[N+](=O)[O-] ZINC000784124830 1030474514 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COCc1ccccc1OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000842098666 1030604156 /nfs/dbraw/zinc/60/41/56/1030604156.db2.gz UXWZBBLIMZBYNW-UHFFFAOYSA-N 0 0 370.449 2.569 20 10 FFCDRN CCN(C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(OC)cc1 ZINC000842151509 1030624219 /nfs/dbraw/zinc/62/42/19/1030624219.db2.gz BTTCVJNXICZODJ-QGZVFWFLSA-N 0 0 370.449 2.846 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@H](Cc2ccncc2)C1=O ZINC000842264436 1030663685 /nfs/dbraw/zinc/66/36/85/1030663685.db2.gz JFWBYCLVDGKJDB-DNVCBOLYSA-N 0 0 366.465 2.550 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2ccc(F)cc2C(=O)OC)cc1 ZINC000784554469 1030681291 /nfs/dbraw/zinc/68/12/91/1030681291.db2.gz BHWZXBKWBQBKNW-UHFFFAOYSA-N 0 0 361.369 2.801 20 10 FFCDRN Cc1cc(C(=O)OCC(=O)c2ccc(O)c(O)c2)nn1-c1ccc(C)cc1 ZINC000784567738 1030689882 /nfs/dbraw/zinc/68/98/82/1030689882.db2.gz RVIVMEKUEYZMKP-UHFFFAOYSA-N 0 0 366.373 2.940 20 10 FFCDRN COc1ccc2c(c1)nccc2N(C)S(=O)(=O)CCc1ccc(N)cc1 ZINC001203526445 1030746606 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COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000784894629 1030869142 /nfs/dbraw/zinc/86/91/42/1030869142.db2.gz IAGSZJYVFTZPEV-ZFWWWQNUSA-N 0 0 372.373 2.645 20 10 FFCDRN O=C(C=Cc1ccc(O)c(O)c1)Nc1n[nH]c(Cc2cccc(F)c2)n1 ZINC001142812393 1030912568 /nfs/dbraw/zinc/91/25/68/1030912568.db2.gz OGQGXTWLGUGMKZ-FNORWQNLSA-N 0 0 354.341 2.598 20 10 FFCDRN C[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1ccc(O)c(O)c1 ZINC001203879480 1030956446 /nfs/dbraw/zinc/95/64/46/1030956446.db2.gz RQGJSIKSQPBWAR-CQSZACIVSA-N 0 0 366.421 2.845 20 10 FFCDRN CN(C)c1ccc(C[N@@H+]2CCO[C@H]3[C@H](OCC4CCOCC4)CC[C@@H]32)cc1 ZINC001203931224 1030991005 /nfs/dbraw/zinc/99/10/05/1030991005.db2.gz DHNFZPPMTCEKHI-BHDDXSALSA-N 0 0 374.525 2.928 20 10 FFCDRN CCN(CC)c1ccc(CN2CCN(CC(=O)OC(C)(C)C)CC2)cc1 ZINC001203938978 1030996497 /nfs/dbraw/zinc/99/64/97/1030996497.db2.gz HQGHPAGIRRPNMZ-UHFFFAOYSA-N 0 0 361.530 2.992 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3nnn(C(C)C)c3C)C2)cc1 ZINC000842872621 1031004182 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ZINC001312885762 1044186878 /nfs/dbraw/zinc/18/68/78/1044186878.db2.gz QGXAPZQGTVIHML-PPUGWXNWSA-N 0 0 357.498 2.715 20 10 FFCDRN NC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC001280109103 1044222679 /nfs/dbraw/zinc/22/26/79/1044222679.db2.gz DQXUHCBJYHSILU-BOOASOPXSA-N 0 0 373.678 2.798 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCCO2)n1CC1(C)COC1 ZINC001314753215 1044547377 /nfs/dbraw/zinc/54/73/77/1044547377.db2.gz MOOIYHBFYWQWGR-QGZVFWFLSA-N 0 0 372.469 2.898 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cccc(-n3cc[nH]c3=O)c2)cc1 ZINC001539188693 1070584262 /nfs/dbraw/zinc/58/42/62/1070584262.db2.gz VYPWVKKYMBJAEO-UHFFFAOYSA-N 0 0 350.422 2.916 20 10 FFCDRN Nc1cc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)ncn1 ZINC001318518743 1044726732 /nfs/dbraw/zinc/72/67/32/1044726732.db2.gz IBWLMWQQMCWCJI-UHFFFAOYSA-N 0 0 353.348 2.526 20 10 FFCDRN Cn1c(=O)cc(-c2cnn(CCO[C@H]3CCCCO3)c2)c2ccccc21 ZINC001243867211 1045030422 /nfs/dbraw/zinc/03/04/22/1045030422.db2.gz FXFWQNNLPJMYKI-FQEVSTJZSA-N 0 0 353.422 2.945 20 10 FFCDRN CS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC001319151497 1045046555 /nfs/dbraw/zinc/04/65/55/1045046555.db2.gz SATIMROEDKVLBU-QZTJIDSGSA-N 0 0 363.527 2.949 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)Cc3csc4nccn34)CC2)cc1 ZINC001319869038 1045289151 /nfs/dbraw/zinc/28/91/51/1045289151.db2.gz BOWSHCAXRBJAAK-UHFFFAOYSA-N 0 0 370.478 2.686 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)C(CC)CC ZINC001320398516 1045402114 /nfs/dbraw/zinc/40/21/14/1045402114.db2.gz JLLSEXYWEIXAIB-DOMZBBRYSA-N 0 0 351.443 2.761 20 10 FFCDRN COc1nc(Cl)c(CN2CCN(c3ccc(OC)c(F)c3)CC2)n1C ZINC001320523200 1045423167 /nfs/dbraw/zinc/42/31/67/1045423167.db2.gz XVNLRLZTXAVZGG-UHFFFAOYSA-N 0 0 368.840 2.552 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(CC)s1 ZINC001320693101 1045450289 /nfs/dbraw/zinc/45/02/89/1045450289.db2.gz UOQDXRJCIWOGTM-ZDUSSCGKSA-N 0 0 363.435 2.626 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccnn1C[C@H]1CCOC1 ZINC001320718554 1045454922 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FFCDRN CNC(=O)Cc1ccccc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001321387501 1045649456 /nfs/dbraw/zinc/64/94/56/1045649456.db2.gz UQPSXTMEALBGGV-CQSZACIVSA-N 0 0 354.454 2.924 20 10 FFCDRN Cc1oc2ccccc2c1CNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001323615271 1045659243 /nfs/dbraw/zinc/65/92/43/1045659243.db2.gz GZSNKNZKTPBRLM-UHFFFAOYSA-N 0 0 352.390 2.722 20 10 FFCDRN CN1CCN(c2ccc(CNc3cccc4c3OCC(=O)N4)cc2F)CC1 ZINC001323922709 1045778321 /nfs/dbraw/zinc/77/83/21/1045778321.db2.gz CXRGJUXTAKKMIR-UHFFFAOYSA-N 0 0 370.428 2.521 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N(C)[C@H](C)c1cccc(O)c1)c1ccc(N(C)C)cc1 ZINC001323938215 1045783754 /nfs/dbraw/zinc/78/37/54/1045783754.db2.gz NYBZZJQSQLPNQK-HUUCEWRRSA-N 0 0 369.465 2.855 20 10 FFCDRN Cc1noc([C@@H]2CCCCN2Cc2ccc(N3CCN(C)CC3)c(F)c2)n1 ZINC001324427256 1046023605 /nfs/dbraw/zinc/02/36/05/1046023605.db2.gz SYCCXRFZZYGMBK-IBGZPJMESA-N 0 0 373.476 2.996 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCCN2Cc2cccnc2)cc1 ZINC001322714572 1046193190 /nfs/dbraw/zinc/19/31/90/1046193190.db2.gz SCFBZLJIHMRLNX-FQEVSTJZSA-N 0 0 352.482 2.819 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@@H]3CC(=O)N(C)c4ccccc43)ccc21 ZINC001324762613 1046211811 /nfs/dbraw/zinc/21/18/11/1046211811.db2.gz DQULOHFHFDLQGD-GOSISDBHSA-N 0 0 363.461 2.836 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(OC)c(OCC(N)=O)c2)cc1Cl ZINC001325084626 1046365728 /nfs/dbraw/zinc/36/57/28/1046365728.db2.gz ZWQHJXFJGCZHPV-UHFFFAOYSA-N 0 0 364.829 2.858 20 10 FFCDRN C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001325306603 1046460992 /nfs/dbraw/zinc/46/09/92/1046460992.db2.gz FIGLMKLPARAYLU-MAUKXSAKSA-N 0 0 352.434 2.755 20 10 FFCDRN Cn1cc(-c2nc(C(=O)Nc3c4nonc4ccc3Cl)cs2)cn1 ZINC001325344253 1046476533 /nfs/dbraw/zinc/47/65/33/1046476533.db2.gz BHFBLDPSPHYHAP-UHFFFAOYSA-N 0 0 360.786 2.986 20 10 FFCDRN COC1CCN(C2(C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])CCCC2)CC1 ZINC000730817482 1047203019 /nfs/dbraw/zinc/20/30/19/1047203019.db2.gz OLURYJIFZOKEOX-UHFFFAOYSA-N 0 0 363.458 2.814 20 10 FFCDRN COC(=O)Cc1c2ccccc2[nH]c1C(=O)NCc1ccc(N(C)C)cc1 ZINC001540494245 1070908445 /nfs/dbraw/zinc/90/84/45/1070908445.db2.gz IERGVSJCTYFHNK-UHFFFAOYSA-N 0 0 365.433 2.879 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@]2(C(=O)OC(C)(C)C)CCCO2)cc1 ZINC001540518623 1070914472 /nfs/dbraw/zinc/91/44/72/1070914472.db2.gz WDOKLHNDDLQRJB-FQEVSTJZSA-N 0 0 362.470 2.602 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCCN(C)C1=O ZINC001540543158 1070923357 /nfs/dbraw/zinc/92/33/57/1070923357.db2.gz BHCPCNCGYOFZEE-LJQANCHMSA-N 0 0 357.498 2.894 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1CC=C(C(=O)N(CCC(N)=O)c2ccccc2)C1 ZINC001331340187 1047875336 /nfs/dbraw/zinc/87/53/36/1047875336.db2.gz PFRXFOLDUMBQAF-HNNXBMFYSA-N 0 0 373.453 2.509 20 10 FFCDRN O=C1CN(Cc2cccc(NCc3ccc(N4CCCC4)cc3)c2)CCN1 ZINC001327630987 1047975043 /nfs/dbraw/zinc/97/50/43/1047975043.db2.gz BBVAFUUELQQWDW-UHFFFAOYSA-N 0 0 364.493 2.831 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N2CCCC[C@H]2c2ccccc2)cc1 ZINC001331512100 1047979254 /nfs/dbraw/zinc/97/92/54/1047979254.db2.gz CPERCGBOPUMRLW-IBGZPJMESA-N 0 0 351.450 2.681 20 10 FFCDRN COc1cccc([C@@H](O)C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001290375156 1048071800 /nfs/dbraw/zinc/07/18/00/1048071800.db2.gz UDKGGQYIRRWEPR-HXUWFJFHSA-N 0 0 354.450 2.987 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3c[nH]nc3[C@@H]3CCCO3)CC2)cc1 ZINC001331914216 1048168701 /nfs/dbraw/zinc/16/87/01/1048168701.db2.gz COPAEJRTJNNFHD-SFHVURJKSA-N 0 0 370.453 2.622 20 10 FFCDRN COc1ccc(C)cc1[C@@H](C)NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001328336117 1048263306 /nfs/dbraw/zinc/26/33/06/1048263306.db2.gz FSWOPFNLDZBFNC-CQSZACIVSA-N 0 0 356.422 2.545 20 10 FFCDRN COc1ccc(CCNC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC001328688332 1048420240 /nfs/dbraw/zinc/42/02/40/1048420240.db2.gz ISRPAAFMPVBEKG-UHFFFAOYSA-N 0 0 354.454 2.732 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)Cc3cc(C4CC4)no3)CC2)cc1 ZINC001329236523 1048627449 /nfs/dbraw/zinc/62/74/49/1048627449.db2.gz WZARZSSLYCCMOG-UHFFFAOYSA-N 0 0 355.438 2.842 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC001329249248 1048634287 /nfs/dbraw/zinc/63/42/87/1048634287.db2.gz QAETYKUCOJZKMA-HNNXBMFYSA-N 0 0 365.424 2.597 20 10 FFCDRN O=C(NCc1ccccn1)c1cccc(NC(=O)c2cccc(O)c2O)c1 ZINC001540851309 1071021693 /nfs/dbraw/zinc/02/16/93/1071021693.db2.gz IFNPSEGFCQVWHG-UHFFFAOYSA-N 0 0 363.373 2.675 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1(c2cccnc2)CC1 ZINC001291629886 1048768184 /nfs/dbraw/zinc/76/81/84/1048768184.db2.gz XSXXFDBGARVGQT-UHFFFAOYSA-N 0 0 353.491 2.983 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC001329561852 1048777268 /nfs/dbraw/zinc/77/72/68/1048777268.db2.gz UBPDGNHQQUPTAO-JDQXGDOCSA-N 0 0 362.426 2.625 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N1CCC2(CC2(F)F)CC1)c1ccc(N(C)C)cc1 ZINC001329826863 1048927951 /nfs/dbraw/zinc/92/79/51/1048927951.db2.gz NAJMQKNOTKBTIQ-CYBMUJFWSA-N 0 0 365.424 2.578 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3nn(C)c4ccccc43)CC2)cc1 ZINC001329948431 1048979883 /nfs/dbraw/zinc/97/98/83/1048979883.db2.gz SPPDTKZKGJUFMJ-UHFFFAOYSA-N 0 0 364.449 2.934 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CCCN1CC(F)F ZINC001330027376 1049010319 /nfs/dbraw/zinc/01/03/19/1049010319.db2.gz BPUFDFOJDKGBHU-QGZVFWFLSA-N 0 0 366.456 2.816 20 10 FFCDRN OCC1CCN(c2ccc(CNCc3nnc(C4CC4)s3)cc2)CC1 ZINC001333669601 1049042159 /nfs/dbraw/zinc/04/21/59/1049042159.db2.gz YFWMBSVZCKSMDW-UHFFFAOYSA-N 0 0 358.511 2.914 20 10 FFCDRN C[C@H](NC(=O)NC1(C(F)(F)F)CC1)c1ccc(N2CCOCC2)cc1 ZINC001333848332 1049143727 /nfs/dbraw/zinc/14/37/27/1049143727.db2.gz MIUWLKZTNSSCFV-LBPRGKRZSA-N 0 0 357.376 2.978 20 10 FFCDRN CC[C@@H](C)N(CC)C(=O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001330367364 1049146474 /nfs/dbraw/zinc/14/64/74/1049146474.db2.gz SQYCRELWEQHHBG-OAHLLOKOSA-N 0 0 363.527 2.503 20 10 FFCDRN O=C(Nc1ccnn1C[C@@H]1CCOC1)c1cc2cc(O)c(O)cc2s1 ZINC001333995776 1049195071 /nfs/dbraw/zinc/19/50/71/1049195071.db2.gz XVBJUKLQSHULEW-JTQLQIEISA-N 0 0 359.407 2.798 20 10 FFCDRN CC(C)[C@@](C)(O)Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001541296950 1071070741 /nfs/dbraw/zinc/07/07/41/1071070741.db2.gz LLKWEDHEICLAII-JXFKEZNVSA-N 0 0 374.485 2.531 20 10 FFCDRN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001331261391 1049536654 /nfs/dbraw/zinc/53/66/54/1049536654.db2.gz UPAQGYAVPYKLPV-WSTLGDPDSA-N 0 0 357.498 2.957 20 10 FFCDRN COc1cccc(CNC(=O)c2ccnn2CCc2ccccc2)c1O ZINC001294925592 1049840380 /nfs/dbraw/zinc/84/03/80/1049840380.db2.gz PURGLQXSMUJXNB-UHFFFAOYSA-N 0 0 351.406 2.770 20 10 FFCDRN CCN(C)c1nnc(-c2ccc[nH]2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001295103998 1049879669 /nfs/dbraw/zinc/87/96/69/1049879669.db2.gz WZSRAGGAJLSZRC-UHFFFAOYSA-N 0 0 366.469 2.614 20 10 FFCDRN Cc1cnc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c([N+](=O)[O-])c1 ZINC000742429638 1049895584 /nfs/dbraw/zinc/89/55/84/1049895584.db2.gz HHJDRMAIBJCGRY-HNNXBMFYSA-N 0 0 369.425 2.612 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@@]34CCC[C@]3(OC)OCC4)CC2)cc1 ZINC001295275311 1049912640 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CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2cccc(O)c2O)C(C)(C)C1 ZINC001349076941 1055078611 /nfs/dbraw/zinc/07/86/11/1055078611.db2.gz ASYSLZWGLCKCMB-CYBMUJFWSA-N 0 0 364.442 2.607 20 10 FFCDRN Cc1cc(Cn2c(C3SC=CC3=O)nnc2N2CCSCC2)no1 ZINC001352090075 1055184477 /nfs/dbraw/zinc/18/44/77/1055184477.db2.gz IYJKVWQPTPQZBM-UHFFFAOYSA-N 0 0 363.468 2.610 20 10 FFCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2C)C[C@@H](CC(F)(F)F)O1 ZINC001338086258 1055219604 /nfs/dbraw/zinc/21/96/04/1055219604.db2.gz FKCCJWGIWHZKDE-RKDXNWHRSA-N 0 0 362.377 2.795 20 10 FFCDRN CCc1cccc(CNc2ccc(NC(=O)CN3CCOCC3)cc2)c1O ZINC000848891929 1055313226 /nfs/dbraw/zinc/31/32/26/1055313226.db2.gz FIVRLZWPMGWFRD-UHFFFAOYSA-N 0 0 369.465 2.837 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(C)oc(C)c1C ZINC001338289343 1055389146 /nfs/dbraw/zinc/38/91/46/1055389146.db2.gz VODUHIVAUXINAE-AWEZNQCLSA-N 0 0 361.394 2.520 20 10 FFCDRN O=C1c2ccccc2C(=O)c2cc(NC(=S)NC[C@@H]3CCCO3)ccc21 ZINC001200008155 1055397474 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CC[C@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)c1c(F)cccc1F ZINC001545595094 1071813041 /nfs/dbraw/zinc/81/30/41/1071813041.db2.gz CGHGKFRLURJHIH-SCLBCKFNSA-N 0 0 351.349 2.547 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1 ZINC001449119194 1058865942 /nfs/dbraw/zinc/86/59/42/1058865942.db2.gz ITPDZVVWYOMBHG-UHFFFAOYSA-N 0 0 369.458 2.751 20 10 FFCDRN C[C@H](c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1)C(C)(C)O ZINC001519605956 1058876394 /nfs/dbraw/zinc/87/63/94/1058876394.db2.gz MWEBUSDRNOILLG-CABCVRRESA-N 0 0 374.485 2.531 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H](c2nnc[nH]2)c2ccccc2)cc1 ZINC001449456894 1058908255 /nfs/dbraw/zinc/90/82/55/1058908255.db2.gz PFRZRKKTLPTBCO-HNNXBMFYSA-N 0 0 363.381 2.529 20 10 FFCDRN CCOC[C@@H]1CCN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001503153066 1058972598 /nfs/dbraw/zinc/97/25/98/1058972598.db2.gz IHGPAKSSJDAZQS-QGZVFWFLSA-N 0 0 357.502 2.872 20 10 FFCDRN C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)NCc1ccc(O)cc1O ZINC001451765853 1059142537 /nfs/dbraw/zinc/14/25/37/1059142537.db2.gz IAJYLLHNFZVHCY-VIFPVBQESA-N 0 0 366.757 2.743 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1cn(Cc2ccccc2)nn1 ZINC001451946063 1059166071 /nfs/dbraw/zinc/16/60/71/1059166071.db2.gz BWIYTIKWWFLZOB-UHFFFAOYSA-N 0 0 359.389 2.510 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@](C)(O)c2ccc(F)cc2)cc1 ZINC001452832624 1059303949 /nfs/dbraw/zinc/30/39/49/1059303949.db2.gz GZKADGJQKAIGIX-FQEVSTJZSA-N 0 0 360.429 2.637 20 10 FFCDRN O=C(CNC(=O)c1cccc(Cl)c1)NCc1cc(Cl)ccc1O ZINC001452944252 1059317014 /nfs/dbraw/zinc/31/70/14/1059317014.db2.gz JTIZQKOBSQBGIM-UHFFFAOYSA-N 0 0 353.205 2.745 20 10 FFCDRN COc1cncc(NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)n1 ZINC001453468348 1059373002 /nfs/dbraw/zinc/37/30/02/1059373002.db2.gz BXWROHVZRHWPGY-UHFFFAOYSA-N 0 0 350.378 2.958 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C(C)=C/c1ccncc1 ZINC000848231681 1059430536 /nfs/dbraw/zinc/43/05/36/1059430536.db2.gz JTGAFIUPHXUBPS-NTCAYCPXSA-N 0 0 354.406 2.782 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccnc(F)c3OC)C2)cc1 ZINC001515394156 1059638789 /nfs/dbraw/zinc/63/87/89/1059638789.db2.gz VJYMWLVRZBKQFH-CYBMUJFWSA-N 0 0 360.385 2.921 20 10 FFCDRN CC(C)n1cc(C(=O)NCc2cccc(O)c2O)c(C2CCOCC2)n1 ZINC001520508586 1059746296 /nfs/dbraw/zinc/74/62/96/1059746296.db2.gz GRPOXYBBQOUGGX-UHFFFAOYSA-N 0 0 359.426 2.699 20 10 FFCDRN Cc1nc(CC(F)(F)F)sc1CC(=O)NCc1cccc(O)c1O ZINC001520509785 1059748070 /nfs/dbraw/zinc/74/80/70/1059748070.db2.gz WAIALZNVISGCFR-UHFFFAOYSA-N 0 0 360.357 2.826 20 10 FFCDRN CCc1nc(OC)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC001515875326 1059860772 /nfs/dbraw/zinc/86/07/72/1059860772.db2.gz AYKUPOQFQYREMV-CYBMUJFWSA-N 0 0 370.453 2.535 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCCN1Cc1ccncc1 ZINC001355105684 1059896104 /nfs/dbraw/zinc/89/61/04/1059896104.db2.gz BDNDKUVYTOBQES-QGZVFWFLSA-N 0 0 374.481 2.944 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2cnccn2)CCCC1 ZINC001355197383 1059983525 /nfs/dbraw/zinc/98/35/25/1059983525.db2.gz LUOOFXUAAWHMIC-UHFFFAOYSA-N 0 0 350.422 2.635 20 10 FFCDRN COC(=O)c1ccn(CCCC(=O)NCc2c(O)ccc3ccccc32)n1 ZINC001456312094 1060085759 /nfs/dbraw/zinc/08/57/59/1060085759.db2.gz YLOUMUKGAUZVNT-UHFFFAOYSA-N 0 0 367.405 2.625 20 10 FFCDRN COC(=O)Cc1ccccc1C[NH2+][C@@H](C)c1cc(C(=O)OC)ccc1[O-] ZINC000848572901 1060296394 /nfs/dbraw/zinc/29/63/94/1060296394.db2.gz MYOZTGGNHKPVQK-ZDUSSCGKSA-N 0 0 357.406 2.745 20 10 FFCDRN CC(C)OCc1cccc(NC(=O)C(=O)NCc2c(O)cccc2F)c1 ZINC001517000209 1060296480 /nfs/dbraw/zinc/29/64/80/1060296480.db2.gz HBFJVJHUZKUNHV-UHFFFAOYSA-N 0 0 360.385 2.711 20 10 FFCDRN CC(C)(C)c1csc(NC(=O)C(=O)NCc2c(O)cccc2F)n1 ZINC001517001194 1060299251 /nfs/dbraw/zinc/29/92/51/1060299251.db2.gz SYSBETRNMROXHM-UHFFFAOYSA-N 0 0 351.403 2.540 20 10 FFCDRN Cc1cccc(NC(=O)CSCC(=O)NCc2c(O)cccc2F)c1 ZINC001458021423 1060490095 /nfs/dbraw/zinc/49/00/95/1060490095.db2.gz ANYQFKNMYIGKFC-UHFFFAOYSA-N 0 0 362.426 2.828 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCS[C@@H](C)[C@H]1C ZINC001355770654 1060575259 /nfs/dbraw/zinc/57/52/59/1060575259.db2.gz VCASHXOFIMIWMF-MNOVXSKESA-N 0 0 354.501 2.689 20 10 FFCDRN Cc1cc(C(=O)Cn2cnc3nccnc32)c(C)n1-c1ccc(F)cn1 ZINC001459212111 1060725550 /nfs/dbraw/zinc/72/55/50/1060725550.db2.gz BNOWVDZQQWZBQN-UHFFFAOYSA-N 0 0 350.357 2.651 20 10 FFCDRN COc1ccc(N2CCN(CCCC(=O)OC(C)(C)C)CC2)c(OC)c1 ZINC001460653502 1061047942 /nfs/dbraw/zinc/04/79/42/1061047942.db2.gz XURHICCKYLKJDC-UHFFFAOYSA-N 0 0 364.486 2.948 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)Cc2ccc(C)cc2)cc1 ZINC001475460274 1061100434 /nfs/dbraw/zinc/10/04/34/1061100434.db2.gz YDQDAPPYVMYCRV-UHFFFAOYSA-N 0 0 362.495 2.902 20 10 FFCDRN COC(=O)N1CCC[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC001461143824 1061222029 /nfs/dbraw/zinc/22/20/29/1061222029.db2.gz QGIQJHLDYLVANR-NSHDSACASA-N 0 0 361.211 2.614 20 10 FFCDRN CC(C)(C)[C@H]1CCN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001521940590 1061297680 /nfs/dbraw/zinc/29/76/80/1061297680.db2.gz UHDJIABMSCSDPY-GOSISDBHSA-N 0 0 372.513 2.718 20 10 FFCDRN CN(C)c1ncn(-c2cccc(NC(=O)N3Cc4cccc(O)c4C3)c2)n1 ZINC001476451380 1061415289 /nfs/dbraw/zinc/41/52/89/1061415289.db2.gz PVKFFANJAVUNFZ-UHFFFAOYSA-N 0 0 364.409 2.587 20 10 FFCDRN Cc1cc(CNC(=O)Cn2nnnc2C(C)C)c(C)n1-c1cccc(C)c1 ZINC001462079444 1061497110 /nfs/dbraw/zinc/49/71/10/1061497110.db2.gz JBRCKVDHFPEKJA-UHFFFAOYSA-N 0 0 366.469 2.829 20 10 FFCDRN CNc1c(C(=O)Nc2cccc(N3CCOCC3)c2)cccc1[N+](=O)[O-] ZINC000765386469 1061532246 /nfs/dbraw/zinc/53/22/46/1061532246.db2.gz KXNKVPYSEATVRY-UHFFFAOYSA-N 0 0 356.382 2.725 20 10 FFCDRN COC(=O)c1c(CN(CC(F)F)C[C@H](C)O)c2cc(F)ccc2n1C ZINC001462250977 1061555292 /nfs/dbraw/zinc/55/52/92/1061555292.db2.gz PZBYTFHXFURAJO-JTQLQIEISA-N 0 0 358.360 2.552 20 10 FFCDRN COC(=O)c1c(CN(CC(F)F)C[C@@H](C)O)c2cc(F)ccc2n1C ZINC001462250983 1061556344 /nfs/dbraw/zinc/55/63/44/1061556344.db2.gz PZBYTFHXFURAJO-SNVBAGLBSA-N 0 0 358.360 2.552 20 10 FFCDRN COc1ccc(CN2CCNC(=O)[C@H]2CC2CCCCC2)c(O)c1OC ZINC001462355047 1061592668 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Cc1nnc(N(C)Cc2cnn(C)c2C)n1Cc1ccc(N(C)C)c(F)c1 ZINC001360929343 1062052919 /nfs/dbraw/zinc/05/29/19/1062052919.db2.gz CEWUPBKOEAFUBI-UHFFFAOYSA-N 0 0 371.464 2.518 20 10 FFCDRN COc1ccccc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000774828910 1062088059 /nfs/dbraw/zinc/08/80/59/1062088059.db2.gz LWBXHZFZWJJGSU-OAHLLOKOSA-N 0 0 369.465 2.563 20 10 FFCDRN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCC(F)F ZINC001361133283 1062099758 /nfs/dbraw/zinc/09/97/58/1062099758.db2.gz MLFPKNRWLDCPTP-YRNVUSSQSA-N 0 0 374.409 2.798 20 10 FFCDRN CCS[C@H](C)Cc1nnc(N(C)Cc2ccccc2O)n1CCOC ZINC001523267143 1062415084 /nfs/dbraw/zinc/41/50/84/1062415084.db2.gz XVQCXGGPUAFTRN-CQSZACIVSA-N 0 0 364.515 2.951 20 10 FFCDRN Cn1cnc(/C=C\C(=O)N2CCN(CC(F)(F)F)c3ccccc32)c1 ZINC001435385594 1062463967 /nfs/dbraw/zinc/46/39/67/1062463967.db2.gz AFDOWDVHECZVEU-SREVYHEPSA-N 0 0 350.344 2.849 20 10 FFCDRN CN(C(=O)c1cn(C)nc1-c1cccnc1)c1ccc(C(F)(F)F)nn1 ZINC001530895056 1062656726 /nfs/dbraw/zinc/65/67/26/1062656726.db2.gz UONHBVRXHPEINR-UHFFFAOYSA-N 0 0 362.315 2.568 20 10 FFCDRN COc1cc(F)c(S(=O)(=O)NCc2cccc(Cl)c2O)cc1F ZINC001464787215 1062823832 /nfs/dbraw/zinc/82/38/32/1062823832.db2.gz JTSUVPARUFRESN-UHFFFAOYSA-N 0 0 363.769 2.811 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cc(-n4cccc4)ccn3)C2)cc1 ZINC001437582651 1062886270 /nfs/dbraw/zinc/88/62/70/1062886270.db2.gz XQQYATLNYPEOFJ-MRXNPFEDSA-N 0 0 362.433 2.890 20 10 FFCDRN CC(=O)N1CCC[C@H]1c1nnc(N(C)Cc2ccccc2O)n1CC(C)C ZINC001524814546 1062999593 /nfs/dbraw/zinc/99/95/93/1062999593.db2.gz VSPDDDRWMIAGHX-KRWDZBQOSA-N 0 0 371.485 2.960 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H](O)c1ccccc1C(F)(F)F ZINC001465981376 1063287896 /nfs/dbraw/zinc/28/78/96/1063287896.db2.gz LSJVHBMAUZJCKS-OAHLLOKOSA-N 0 0 355.312 2.509 20 10 FFCDRN CN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001440557867 1063313727 /nfs/dbraw/zinc/31/37/27/1063313727.db2.gz NIVGCBPZFGMJKB-AWEZNQCLSA-N 0 0 354.366 2.761 20 10 FFCDRN CCc1nc(NC(=O)c2ccc(N=NC(N)=O)cc2)sc1C(=O)OC ZINC001466173896 1063350801 /nfs/dbraw/zinc/35/08/01/1063350801.db2.gz SBFWKGMKWADAIL-UHFFFAOYSA-N 0 0 361.383 2.907 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3c4c[nH]nc4CC[C@@H]3C)CC2)cc1 ZINC001466210331 1063364338 /nfs/dbraw/zinc/36/43/38/1063364338.db2.gz FKIODFVRGOMSDJ-YWZLYKJASA-N 0 0 368.481 2.823 20 10 FFCDRN COC(=O)C1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCOCC1 ZINC001525770095 1063410175 /nfs/dbraw/zinc/41/01/75/1063410175.db2.gz SDSXKFNPZPQQNP-UHFFFAOYSA-N 0 0 356.422 2.546 20 10 FFCDRN COC(=O)c1cc(CNC(=O)c2cc3cc(O)c(O)cc3s2)oc1C ZINC001441257203 1063416974 /nfs/dbraw/zinc/41/69/74/1063416974.db2.gz UZANVLAPGNAGOR-UHFFFAOYSA-N 0 0 361.375 2.931 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc2n[nH]cc2c1 ZINC001466398833 1063422867 /nfs/dbraw/zinc/42/28/67/1063422867.db2.gz JTCPRPBWSGNHTM-UHFFFAOYSA-N 0 0 373.796 2.737 20 10 FFCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)COCCO1 ZINC001495136194 1063449136 /nfs/dbraw/zinc/44/91/36/1063449136.db2.gz HVPKYKXYMWMHMN-QRWLVFNGSA-N 0 0 374.485 2.939 20 10 FFCDRN CNC(=O)N[C@H]1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC001466739115 1063540319 /nfs/dbraw/zinc/54/03/19/1063540319.db2.gz QOJDHDZNHVQQHD-KRWDZBQOSA-N 0 0 368.481 2.854 20 10 FFCDRN CCc1nnc(N(C)CC2CC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001498698416 1063849693 /nfs/dbraw/zinc/84/96/93/1063849693.db2.gz KZGFOCHBCJKZKH-UHFFFAOYSA-N 0 0 355.486 2.572 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCc2ccnn2-c2ccccc2)cc1 ZINC001467968351 1063897565 /nfs/dbraw/zinc/89/75/65/1063897565.db2.gz MNSCABIOTHULCK-UHFFFAOYSA-N 0 0 363.465 2.980 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1cc(=O)[nH]cc1Br ZINC001469248899 1064116531 /nfs/dbraw/zinc/11/65/31/1064116531.db2.gz JYWQXFLBLRDLNN-UHFFFAOYSA-N 0 0 374.194 2.734 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC001469251552 1064117591 /nfs/dbraw/zinc/11/75/91/1064117591.db2.gz YDDPIQAWDCQWCA-HNNXBMFYSA-N 0 0 365.364 2.822 20 10 FFCDRN COc1ccc(CNC(=O)/C=C/C(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001469876134 1064222651 /nfs/dbraw/zinc/22/26/51/1064222651.db2.gz BSSVEPKVAKKJPN-CMDGGOBGSA-N 0 0 374.824 2.543 20 10 FFCDRN COc1ccc(CC(=O)NCc2cc(Cl)ccc2O)cc1[N+](=O)[O-] ZINC001469875415 1064222700 /nfs/dbraw/zinc/22/27/00/1064222700.db2.gz YFOGJARHOOBSQQ-UHFFFAOYSA-N 0 0 350.758 2.821 20 10 FFCDRN O=C(NCCn1cc(Br)cn1)NCc1cccc(Cl)c1O ZINC001470101630 1064258254 /nfs/dbraw/zinc/25/82/54/1064258254.db2.gz OUNIFUZKDGRRCL-UHFFFAOYSA-N 0 0 373.638 2.504 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCOC[C@H]1c1cc(F)cc(F)c1 ZINC001470147012 1064263629 /nfs/dbraw/zinc/26/36/29/1064263629.db2.gz QSSPHPOXOSXTDA-OUMXJLHTSA-N 0 0 361.344 2.989 20 10 FFCDRN CCN(CC(C)C)c1nc(CC(=O)NCc2cccc(O)c2O)cs1 ZINC001471642099 1064743028 /nfs/dbraw/zinc/74/30/28/1064743028.db2.gz KFEBEKJXROJTLB-UHFFFAOYSA-N 0 0 363.483 2.896 20 10 FFCDRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)NCc1ccc(N)cc1)C2 ZINC001575206584 1078117411 /nfs/dbraw/zinc/11/74/11/1078117411.db2.gz PBOAGNUORNBWRM-PMPSAXMXSA-N 0 0 360.458 2.608 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc2c(c1)C(=O)NCCO2 ZINC001472085174 1064923491 /nfs/dbraw/zinc/92/34/91/1064923491.db2.gz LYRRZTCRJPPGNM-UHFFFAOYSA-N 0 0 362.385 2.598 20 10 FFCDRN COc1cc(N(C)CC(=O)Nc2ccc(C)cc2)c([N+](=O)[O-])cc1OC ZINC001472650899 1065122159 /nfs/dbraw/zinc/12/21/59/1065122159.db2.gz ANKUFRYQQPGVDO-UHFFFAOYSA-N 0 0 359.382 2.995 20 10 FFCDRN COc1ccc(N(C)CCOCCNC(=O)OC(C)(C)C)cc1OC ZINC001473132746 1065205155 /nfs/dbraw/zinc/20/51/55/1065205155.db2.gz HKSQEYJAEUZMGX-UHFFFAOYSA-N 0 0 354.447 2.681 20 10 FFCDRN Cc1cc(CN2CCN([S@](C)(=N)=O)CC2)ccc1N1CCCCC1 ZINC001473776203 1065357656 /nfs/dbraw/zinc/35/76/56/1065357656.db2.gz CLDROKBIJVTXMX-DEOSSOPVSA-N 0 0 350.532 2.694 20 10 FFCDRN Cc1ccc(NCc2cc(F)cc(F)c2O)cc1S(=O)(=O)N(C)C ZINC001474139339 1065462193 /nfs/dbraw/zinc/46/21/93/1065462193.db2.gz BUXLLPQNJJRUQJ-UHFFFAOYSA-N 0 0 356.394 2.841 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H]1C[C@H]1c1cnn(C)c1 ZINC001474379990 1065507558 /nfs/dbraw/zinc/50/75/58/1065507558.db2.gz KVBIECKKPIHAKF-BLLLJJGKSA-N 0 0 363.845 2.558 20 10 FFCDRN Nc1ccc(CNC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1 ZINC001580445477 1078806277 /nfs/dbraw/zinc/80/62/77/1078806277.db2.gz GATLBIPTDJJTHR-UHFFFAOYSA-N 0 0 357.801 2.972 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CC[C@@H]([C@@H]4CCOC4)C3)cs2)cc1 ZINC001580447167 1078806674 /nfs/dbraw/zinc/80/66/74/1078806674.db2.gz RBDFOTORZIAJQI-HUUCEWRRSA-N 0 0 357.479 2.815 20 10 FFCDRN Cc1cc(CCNc2nnccc2-c2nn[nH]n2)c(C)n1-c1ccccc1 ZINC001580922673 1078891917 /nfs/dbraw/zinc/89/19/17/1078891917.db2.gz DICULILSIWDAMD-UHFFFAOYSA-N 0 0 360.425 2.719 20 10 FFCDRN Oc1ccccc1CN(Cc1ccco1)Cc1cccc(-c2nn[nH]n2)n1 ZINC001582816758 1079114755 /nfs/dbraw/zinc/11/47/55/1079114755.db2.gz SBWUASILRVQASH-UHFFFAOYSA-N 0 0 362.393 2.763 20 10 FFCDRN Oc1cccc(O)c1CNc1cc(Br)ccc1-c1nn[nH]n1 ZINC001582816945 1079114019 /nfs/dbraw/zinc/11/40/19/1079114019.db2.gz VJEYIZYAHWEMTC-UHFFFAOYSA-N 0 0 362.187 2.653 20 10 FFCDRN Cc1cc(CCC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)[nH]n1 ZINC001583918988 1079283937 /nfs/dbraw/zinc/28/39/37/1079283937.db2.gz KCYOJDAYJMOEBI-HXUWFJFHSA-N 0 0 370.497 2.925 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001584089644 1079305048 /nfs/dbraw/zinc/30/50/48/1079305048.db2.gz SADYZMOVYINHNW-WMZOPIPTSA-N 0 0 359.514 2.613 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(N=NC(N)=O)cc3)C2)cc1 ZINC001584229734 1079326116 /nfs/dbraw/zinc/32/61/16/1079326116.db2.gz LFRQGIJODJHOGO-OAHLLOKOSA-N 0 0 367.409 2.866 20 10 FFCDRN O=C(NCCc1nc(-c2ccc(Cl)cc2)n[nH]1)c1cccc(O)c1O ZINC001556543035 1075751816 /nfs/dbraw/zinc/75/18/16/1075751816.db2.gz JWNADHZLUAYJJJ-UHFFFAOYSA-N 0 0 358.785 2.509 20 10 FFCDRN COc1ccc(OC(F)(F)F)c(C(=O)NCc2ccc(O)cc2O)c1 ZINC001557084884 1075806259 /nfs/dbraw/zinc/80/62/59/1075806259.db2.gz RPBHUCVYGVBTMK-UHFFFAOYSA-N 0 0 357.284 2.935 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001557123912 1075811347 /nfs/dbraw/zinc/81/13/47/1075811347.db2.gz YRPTVKCQGTVFTD-UHFFFAOYSA-N 0 0 367.317 2.507 20 10 FFCDRN Cc1cc(C(=O)NCC2N=NC(=O)N2C)c(C)n1-c1cccc(Cl)c1 ZINC001557232658 1075825011 /nfs/dbraw/zinc/82/50/11/1075825011.db2.gz UTVQXWQGZWNZKR-UHFFFAOYSA-N 0 0 359.817 2.512 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H](C)C1N=NC(=O)N1C ZINC001557264928 1075829828 /nfs/dbraw/zinc/82/98/28/1075829828.db2.gz GVYJBKSJHREJFR-AWEZNQCLSA-N 0 0 353.426 2.728 20 10 FFCDRN CO[C@](C)(CO)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC001557293106 1075834518 /nfs/dbraw/zinc/83/45/18/1075834518.db2.gz ARJDFAJLDXXHOJ-IBGZPJMESA-N 0 0 364.873 2.804 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H](O)c1ccncc1 ZINC001557776001 1075888419 /nfs/dbraw/zinc/88/84/19/1075888419.db2.gz HETOGQATCAVUET-FQEVSTJZSA-N 0 0 363.417 2.765 20 10 FFCDRN Cc1cc(NC(=O)[C@@H](C)SCC(=O)N[C@@H](C)c2ccccc2O)no1 ZINC001557967741 1075918942 /nfs/dbraw/zinc/91/89/42/1075918942.db2.gz KAQCLKAUTJUNKV-NWDGAFQWSA-N 0 0 363.439 2.626 20 10 FFCDRN CC(C)c1nc(C(=O)NCc2cc(O)ccc2O)nn1-c1cccc(F)c1 ZINC001558174667 1075956340 /nfs/dbraw/zinc/95/63/40/1075956340.db2.gz RHUFCHYRKIJRTR-UHFFFAOYSA-N 0 0 370.384 2.871 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@H](C(=O)NCc2cc(O)ccc2O)C(C)(C)C1 ZINC001558174889 1075956813 /nfs/dbraw/zinc/95/68/13/1075956813.db2.gz BDNGHLLNXZVIQE-CQSZACIVSA-N 0 0 364.442 2.607 20 10 FFCDRN O=C(NCc1cc(=O)[nH]c(C2CC2)n1)c1cc2cc(O)c(O)cc2s1 ZINC001558310484 1075976817 /nfs/dbraw/zinc/97/68/17/1075976817.db2.gz WYSYLWCMQWHIJK-UHFFFAOYSA-N 0 0 357.391 2.616 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)CCc1ncon1 ZINC001558521592 1076023387 /nfs/dbraw/zinc/02/33/87/1076023387.db2.gz PDYSZNFMMUOOMS-UHFFFAOYSA-N 0 0 352.394 2.604 20 10 FFCDRN O=C(Cn1ncc2ccccc2c1=O)NCc1c(O)ccc2ccccc21 ZINC001558554382 1076031815 /nfs/dbraw/zinc/03/18/15/1076031815.db2.gz QDMYPEUDICLJBC-UHFFFAOYSA-N 0 0 359.385 2.572 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001558554678 1076031876 /nfs/dbraw/zinc/03/18/76/1076031876.db2.gz UAHYEJSALAQSJE-INIZCTEOSA-N 0 0 352.434 2.810 20 10 FFCDRN CS(=O)(=O)c1ccc(OCC[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001560314047 1076263074 /nfs/dbraw/zinc/26/30/74/1076263074.db2.gz ILFIJTCMAXYGEE-UHFFFAOYSA-N 0 0 373.833 2.757 20 10 FFCDRN Cc1ccc(CN2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c(O)c1 ZINC001560672239 1076290550 /nfs/dbraw/zinc/29/05/50/1076290550.db2.gz ZPFFFHQWKCLOND-RHSMWYFYSA-N 0 0 350.459 2.815 20 10 FFCDRN Cc1csc(C)c1S(=O)(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001561164706 1076341835 /nfs/dbraw/zinc/34/18/35/1076341835.db2.gz KPACSHNBBFAKDC-UHFFFAOYSA-N 0 0 366.508 2.680 20 10 FFCDRN CN(c1ccc(CNS(=O)(=O)N=S(C)(C)=O)cc1)C1CCCCC1 ZINC001561178895 1076343703 /nfs/dbraw/zinc/34/37/03/1076343703.db2.gz KEKCHZIBOLEWSN-UHFFFAOYSA-N 0 0 373.544 2.518 20 10 FFCDRN Cc1cc2n[nH]cc2cc1S(=O)(=O)NCc1cc(Cl)ccc1O ZINC001561725208 1076413151 /nfs/dbraw/zinc/41/31/51/1076413151.db2.gz PVFVFVVWZPLJEA-UHFFFAOYSA-N 0 0 351.815 2.709 20 10 FFCDRN CNC(=O)Cn1ccc2ccc(NC(=O)N[C@H](C)c3ccccc3O)cc21 ZINC001562386688 1076492323 /nfs/dbraw/zinc/49/23/23/1076492323.db2.gz BLOJJHYGFCJCJY-CYBMUJFWSA-N 0 0 366.421 2.976 20 10 FFCDRN COc1cc(NC(=O)NCc2ccccc2O)ncc1Br ZINC001562611387 1076507536 /nfs/dbraw/zinc/50/75/36/1076507536.db2.gz UOUIRZSFEWHZAV-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001564315640 1076624208 /nfs/dbraw/zinc/62/42/08/1076624208.db2.gz STAYPDJGPFMOHS-UZLBHIALSA-N 0 0 356.514 2.911 20 10 FFCDRN Cc1cc(CNC(=O)N2[C@H](C)C(=O)N[C@@H](C)[C@H]2C)c(C)n1-c1ccccc1 ZINC001565193674 1076695909 /nfs/dbraw/zinc/69/59/09/1076695909.db2.gz GNXZLFLQSQNREF-ZMSDIMECSA-N 0 0 368.481 2.901 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N=c1sccn1Cc1ccccc1F ZINC001565576731 1076741023 /nfs/dbraw/zinc/74/10/23/1076741023.db2.gz UDENMEVHTFRIIE-UHFFFAOYSA-N 0 0 358.394 2.818 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCNC(=O)[C@H]1c1cccs1 ZINC001566155995 1076926519 /nfs/dbraw/zinc/92/65/19/1076926519.db2.gz HPVDADCJGLZVSX-OAHLLOKOSA-N 0 0 374.443 2.687 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001566369783 1076952364 /nfs/dbraw/zinc/95/23/64/1076952364.db2.gz VNEWDNPPDGDXCH-UHFFFAOYSA-N 0 0 370.283 2.997 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CC[C@@H](C)[C@H]2CO)CCCC1 ZINC001567625794 1077040171 /nfs/dbraw/zinc/04/01/71/1077040171.db2.gz DGDZLKKWHSRCKV-JLTOFOAXSA-N 0 0 356.466 2.758 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](C)N(CCO)C[C@H]2C)c(C)n1-c1ccccc1C ZINC001570455730 1077206999 /nfs/dbraw/zinc/20/69/99/1077206999.db2.gz BLGUOWTXCHJTJI-ZWKOTPCHSA-N 0 0 369.509 2.930 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](C)N(CCO)C[C@H]2C)c(C)n1-c1ccccc1C ZINC001570455728 1077207186 /nfs/dbraw/zinc/20/71/86/1077207186.db2.gz BLGUOWTXCHJTJI-QZTJIDSGSA-N 0 0 369.509 2.930 20 10 FFCDRN C[C@@]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001573630834 1077759589 /nfs/dbraw/zinc/75/95/89/1077759589.db2.gz LYKPQBFHEWWLIS-NRFANRHFSA-N 0 0 354.450 2.737 20 10 FFCDRN Cn1nccc1[C@@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(=O)[O-] ZINC001574472053 1077997736 /nfs/dbraw/zinc/99/77/36/1077997736.db2.gz GYRSCJHMZHOQHR-LJQANCHMSA-N 0 0 367.405 2.620 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)COc2cccc(OC)c2)cc1 ZINC001586648735 1079662171 /nfs/dbraw/zinc/66/21/71/1079662171.db2.gz AUMLZZOZGNWEQG-UHFFFAOYSA-N 0 0 358.438 2.677 20 10 FFCDRN Cc1cc(CNC(=O)c2ccc(C(N)=O)[nH]2)c(C)n1-c1cccc(C)c1 ZINC001587022107 1079722288 /nfs/dbraw/zinc/72/22/88/1079722288.db2.gz QNUDDLLAXKBTIQ-UHFFFAOYSA-N 0 0 350.422 2.760 20 10 FFCDRN CCNC(=O)NCc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001587212289 1079754878 /nfs/dbraw/zinc/75/48/78/1079754878.db2.gz BNCBLRJTKHSIPX-UHFFFAOYSA-N 0 0 368.397 2.920 20 10 FFCDRN Cc1cc(C(=O)N[C@H](CO)Cc2c[nH]cn2)c(C)n1-c1ccc(Cl)cc1 ZINC001587874892 1079883519 /nfs/dbraw/zinc/88/35/19/1079883519.db2.gz JVLMXSQSFTWLCG-INIZCTEOSA-N 0 0 372.856 2.804 20 10 FFCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N(C)CCCC(=O)[O-])C1 ZINC001588923364 1080268730 /nfs/dbraw/zinc/26/87/30/1080268730.db2.gz VBVPAEPASYFGRL-UHFFFAOYSA-N 0 0 371.481 2.731 20 10 FFCDRN C[C@H]([NH2+]CCOc1ccccc1C(=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC001589129832 1080377245 /nfs/dbraw/zinc/37/72/45/1080377245.db2.gz ZKDKHBZDYXIDSA-INIZCTEOSA-N 0 0 370.449 2.951 20 10 FFCDRN C[C@H](Nc1ccc(N2CCCC2)nc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589981172 1080920046 /nfs/dbraw/zinc/92/00/46/1080920046.db2.gz JYLFNBFDPLSDSZ-LBPRGKRZSA-N 0 0 351.414 2.741 20 10 FFCDRN Cc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1-c1ccccn1 ZINC000106072489 209271187 /nfs/dbraw/zinc/27/11/87/209271187.db2.gz NJKISDLOBFOXPN-UHFFFAOYSA-N 0 0 364.405 2.606 20 10 FFCDRN Cc1nn(C)c(C)c1NC(=O)CSc1nc2cc(F)c(F)cc2[nH]1 ZINC000027078817 207925929 /nfs/dbraw/zinc/92/59/29/207925929.db2.gz IDESUXPPNYVABR-UHFFFAOYSA-N 0 0 351.382 2.922 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)c1O ZINC000368958099 512156526 /nfs/dbraw/zinc/15/65/26/512156526.db2.gz WVBCVDUYUJGQPC-HOCLYGCPSA-N 0 0 351.830 2.818 20 10 FFCDRN COc1ccc(OC)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054353906 506539813 /nfs/dbraw/zinc/53/98/13/506539813.db2.gz IKHDWGAONNWUKZ-UHFFFAOYSA-N 0 0 371.437 2.862 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccc(N3CCOC3=O)cc2)cc1 ZINC000042998854 506685000 /nfs/dbraw/zinc/68/50/00/506685000.db2.gz KUDMHYXKBZNGQF-UHFFFAOYSA-N 0 0 353.422 2.981 20 10 FFCDRN O=C(CCOc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055522944 506768343 /nfs/dbraw/zinc/76/83/43/506768343.db2.gz SEGUAORNBILSAI-UHFFFAOYSA-N 0 0 358.413 2.748 20 10 FFCDRN CCc1c(C(=O)NCc2ccc(N3CCOCC3)cc2)cnn1C(C)(C)C ZINC000056199753 506959671 /nfs/dbraw/zinc/95/96/71/506959671.db2.gz FJECOOPHSOUWAW-UHFFFAOYSA-N 0 0 370.497 2.967 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCN2C(=O)CSC2=O)cc1 ZINC000047693282 507381629 /nfs/dbraw/zinc/38/16/29/507381629.db2.gz UIHRDHKLAMAHRD-UHFFFAOYSA-N 0 0 357.435 2.519 20 10 FFCDRN CCNC(=O)c1ccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000058562591 507438372 /nfs/dbraw/zinc/43/83/72/507438372.db2.gz YEUUPMJUICPOJS-UHFFFAOYSA-N 0 0 372.444 2.641 20 10 FFCDRN CSCCc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1 ZINC000069932108 507586614 /nfs/dbraw/zinc/58/66/14/507586614.db2.gz VUYZOMSXTSECMB-UHFFFAOYSA-N 0 0 358.463 2.895 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)cn1 ZINC000049155628 507598404 /nfs/dbraw/zinc/59/84/04/507598404.db2.gz FUKIIEYOEBMIFE-UHFFFAOYSA-N 0 0 353.470 2.747 20 10 FFCDRN COc1cc(OCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000070787254 507637383 /nfs/dbraw/zinc/63/73/83/507637383.db2.gz JCGYBTMUZSFVEG-UHFFFAOYSA-N 0 0 373.409 2.707 20 10 FFCDRN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc2C[C@H]1C ZINC000028686516 507736513 /nfs/dbraw/zinc/73/65/13/507736513.db2.gz HNUZDVCLZLAJCX-LLVKDONJSA-N 0 0 374.418 2.514 20 10 FFCDRN Cc1noc([C@H]2CCCN(C(=O)NCc3ccc(N(C)C)c(F)c3)C2)n1 ZINC000064229092 507786086 /nfs/dbraw/zinc/78/60/86/507786086.db2.gz CITMUYFNMDKAJR-AWEZNQCLSA-N 0 0 361.421 2.672 20 10 FFCDRN Cc1ncccc1NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000072616521 507831736 /nfs/dbraw/zinc/83/17/36/507831736.db2.gz PWZXTJXYDBEDQQ-UHFFFAOYSA-N 0 0 366.465 2.977 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCC4(CC3)OCCO4)cc2)CC1 ZINC000108444066 507895141 /nfs/dbraw/zinc/89/51/41/507895141.db2.gz VVFXTUGPHKDMEL-UHFFFAOYSA-N 0 0 373.497 2.971 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H](O)c1cccc(F)c1 ZINC000091031090 507943848 /nfs/dbraw/zinc/94/38/48/507943848.db2.gz JXGRFPPTTRZGOI-FQEVSTJZSA-N 0 0 372.440 2.744 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1O ZINC000073717674 507948535 /nfs/dbraw/zinc/94/85/35/507948535.db2.gz DBADYKKYXCOIJN-HNNXBMFYSA-N 0 0 355.438 2.727 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cn(Cc2cccs2)nn1 ZINC000079538896 507972899 /nfs/dbraw/zinc/97/28/99/507972899.db2.gz RJPOTZOFUFMLMN-UHFFFAOYSA-N 0 0 367.478 2.918 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)NCC(F)(F)F)cc2F)C[C@H](C)O1 ZINC000080004635 508025916 /nfs/dbraw/zinc/02/59/16/508025916.db2.gz DPDWUOZGBQGQAO-QWRGUYRKSA-N 0 0 363.355 2.801 20 10 FFCDRN CCC[C@H](C)[C@@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000092762136 508100089 /nfs/dbraw/zinc/10/00/89/508100089.db2.gz BPVQQLJFEHATBJ-WFASDCNBSA-N 0 0 354.472 2.805 20 10 FFCDRN O=C(/C=C/c1cccnc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000080864517 508108005 /nfs/dbraw/zinc/10/80/05/508108005.db2.gz YDDJEMHSIRWZFE-GQCTYLIASA-N 0 0 355.413 2.511 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1csnn1 ZINC000081203154 508147299 /nfs/dbraw/zinc/14/72/99/508147299.db2.gz AKZOJWLXVKULSW-SNVBAGLBSA-N 0 0 354.382 2.538 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H]2C2CCCC2)c1 ZINC000094034771 508164155 /nfs/dbraw/zinc/16/41/55/508164155.db2.gz JHCVIUJZNGWATO-OAHLLOKOSA-N 0 0 352.456 2.559 20 10 FFCDRN C[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094153457 508171059 /nfs/dbraw/zinc/17/10/59/508171059.db2.gz VJMBCNDXABPYOD-ZOWXZIJZSA-N 0 0 352.456 2.557 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000076312799 508186027 /nfs/dbraw/zinc/18/60/27/508186027.db2.gz OYIRVBLNJLUWPI-IBGZPJMESA-N 0 0 354.450 2.642 20 10 FFCDRN CC(C)(CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccs1 ZINC000114551796 508326136 /nfs/dbraw/zinc/32/61/36/508326136.db2.gz BMISNWRJQCCVLQ-UHFFFAOYSA-N 0 0 368.480 2.533 20 10 FFCDRN CCc1noc(CC)c1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000087061876 508334631 /nfs/dbraw/zinc/33/46/31/508334631.db2.gz FPTYEAKYNOSZHR-UHFFFAOYSA-N 0 0 372.469 2.635 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000121802534 508422178 /nfs/dbraw/zinc/42/21/78/508422178.db2.gz OFZIOXNRZGFLEB-ZIAGYGMSSA-N 0 0 366.508 2.803 20 10 FFCDRN C[C@H]1C[C@H](c2ccccc2)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000115721043 508431041 /nfs/dbraw/zinc/43/10/41/508431041.db2.gz IUNSLCILHRXJHD-ZFWWWQNUSA-N 0 0 374.462 2.782 20 10 FFCDRN CC[C@H](C)NC(=O)CC[NH2+][C@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156588830 508445208 /nfs/dbraw/zinc/44/52/08/508445208.db2.gz VLNILBMGOMHFRY-LSDHHAIUSA-N 0 0 351.466 2.618 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1C[C@H]1c1ccco1 ZINC000127554635 508467545 /nfs/dbraw/zinc/46/75/45/508467545.db2.gz CYWGJQXRILZPQU-HZPDHXFCSA-N 0 0 358.413 2.800 20 10 FFCDRN Nc1ccc(CCNC(=O)C2CCC(NC(=O)C3CCCC3)CC2)cc1 ZINC000152557805 508469459 /nfs/dbraw/zinc/46/94/59/508469459.db2.gz PZBLVUUFJZNBHD-UHFFFAOYSA-N 0 0 357.498 2.793 20 10 FFCDRN C[C@@](O)(CNC(=O)NCc1ccc(N2CC=CC2)cc1)c1ccsc1 ZINC000127895221 508517254 /nfs/dbraw/zinc/51/72/54/508517254.db2.gz DPAPBVUPAVSRHP-LJQANCHMSA-N 0 0 357.479 2.831 20 10 FFCDRN COc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)on1 ZINC000153426165 508582094 /nfs/dbraw/zinc/58/20/94/508582094.db2.gz SMCWDJNDNLHUQM-LLVKDONJSA-N 0 0 367.352 2.683 20 10 FFCDRN Cc1ccc(C(=O)N2CCOC[C@H]2Cc2c[nH]c3ccccc23)c(O)c1O ZINC000375582545 512405438 /nfs/dbraw/zinc/40/54/38/512405438.db2.gz GPDGZLCGWLLHBV-OAHLLOKOSA-N 0 0 366.417 2.971 20 10 FFCDRN Cc1cc(C(=O)Nc2ccn(CCC(N)=O)n2)c(C)n1-c1ccccc1C ZINC000117832685 508620235 /nfs/dbraw/zinc/62/02/35/508620235.db2.gz RAYWSKFOPLZZIH-UHFFFAOYSA-N 0 0 365.437 2.727 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2COc3ccccc3C2=O)c(C)n1-c1ccccn1 ZINC000128851904 508651687 /nfs/dbraw/zinc/65/16/87/508651687.db2.gz DAURFHYKPZBUDN-KRWDZBQOSA-N 0 0 361.401 2.863 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H]2c2noc(C)n2)cc1 ZINC000369442809 512413114 /nfs/dbraw/zinc/41/31/14/512413114.db2.gz ZTPRAMXMWPSLOG-SFHVURJKSA-N 0 0 366.421 2.999 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000129588991 508743464 /nfs/dbraw/zinc/74/34/64/508743464.db2.gz FQDPTJMTLQLFJP-AZUAARDMSA-N 0 0 373.497 2.622 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000119190324 508744773 /nfs/dbraw/zinc/74/47/73/508744773.db2.gz JMCOYZXAPGCNOP-QRVBRYPASA-N 0 0 353.466 2.820 20 10 FFCDRN CCN(CC)S(=O)(=O)N(CC)Cc1cc(Br)ccc1O ZINC000123905867 508756951 /nfs/dbraw/zinc/75/69/51/508756951.db2.gz ZUFZBVGFDICAOI-UHFFFAOYSA-N 0 0 365.293 2.563 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](Cc3nccn3C)C2)cc1F ZINC000137988006 508768290 /nfs/dbraw/zinc/76/82/90/508768290.db2.gz PHCICKUEWBOQFL-INIZCTEOSA-N 0 0 373.476 2.790 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc(C[S@](C)=O)c3)CC2)cc1 ZINC000140200557 508801001 /nfs/dbraw/zinc/80/10/01/508801001.db2.gz FWQNNZOJQHYRKI-AREMUKBSSA-N 0 0 372.490 2.536 20 10 FFCDRN Cc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cnn1CC(C)C ZINC000159418368 508839269 /nfs/dbraw/zinc/83/92/69/508839269.db2.gz VRFPYUQGRYAIFV-UHFFFAOYSA-N 0 0 374.460 2.753 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cc(OC)ccc1F ZINC000154740989 508845862 /nfs/dbraw/zinc/84/58/62/508845862.db2.gz QJDYMBXDOZBGFQ-UHFFFAOYSA-N 0 0 373.428 2.888 20 10 FFCDRN C[C@@H](CC(=O)N(C)Cc1ccccc1O)S(=O)(=O)c1ccc(F)cc1 ZINC000120235356 508955762 /nfs/dbraw/zinc/95/57/62/508955762.db2.gz SXCWWIBLBDRZEM-ZDUSSCGKSA-N 0 0 365.426 2.742 20 10 FFCDRN O=S(=O)(Cc1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000151223990 508981968 /nfs/dbraw/zinc/98/19/68/508981968.db2.gz HDWJIVXZZARLAX-SFHVURJKSA-N 0 0 361.463 2.903 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000125523099 508994461 /nfs/dbraw/zinc/99/44/61/508994461.db2.gz YDPWWQAMGUJEFI-INIZCTEOSA-N 0 0 361.486 2.875 20 10 FFCDRN Cc1ccc(N2C[C@H](C(=O)NCc3ccc(O)c(O)c3)CCC2=O)cc1C ZINC000371497487 512434654 /nfs/dbraw/zinc/43/46/54/512434654.db2.gz PSRIPBSFCNSRTB-MRXNPFEDSA-N 0 0 368.433 2.774 20 10 FFCDRN CCO[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000266811600 509206030 /nfs/dbraw/zinc/20/60/30/509206030.db2.gz WIDFOBQQXUUIDL-MOPGFXCFSA-N 0 0 373.497 2.670 20 10 FFCDRN COc1cc(N2CCN(C(=O)[C@@H](C)C(C)C)CC2)cc(OC)c1OC ZINC000185502507 509210245 /nfs/dbraw/zinc/21/02/45/509210245.db2.gz OVYQRPUQRZABKZ-AWEZNQCLSA-N 0 0 350.459 2.653 20 10 FFCDRN COc1cccc(CNC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1O ZINC000175929780 509224006 /nfs/dbraw/zinc/22/40/06/509224006.db2.gz PBZVTZVPCMMIOJ-UHFFFAOYSA-N 0 0 368.433 2.569 20 10 FFCDRN Cc1nc(CC(C)C)c(NC(=O)C(=O)N(C)Cc2ccccc2O)s1 ZINC000162521554 509241783 /nfs/dbraw/zinc/24/17/83/509241783.db2.gz VPHQETNFKVOLCS-UHFFFAOYSA-N 0 0 361.467 2.953 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C[C@@H]3CSCCS3)CC2)cc1 ZINC000179180072 509306378 /nfs/dbraw/zinc/30/63/78/509306378.db2.gz DJBMZXQLYMETGO-QGZVFWFLSA-N 0 0 366.552 2.973 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC(C(=O)C(F)(F)F)CC2)cc1 ZINC000185724799 509325232 /nfs/dbraw/zinc/32/52/32/509325232.db2.gz DBXBCHXEJMOWAP-UHFFFAOYSA-N 0 0 357.376 2.806 20 10 FFCDRN Cc1ccc(C(=O)N(C)Cc2cc(Br)cn2C)c(O)c1O ZINC000182603298 509328322 /nfs/dbraw/zinc/32/83/22/509328322.db2.gz BXMQBVDGZVGCON-UHFFFAOYSA-N 0 0 353.216 2.779 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)NCc3ccn(C)c3)cc2F)C[C@H](C)O1 ZINC000267064393 509332083 /nfs/dbraw/zinc/33/20/83/509332083.db2.gz DZIUFFNDMAUZGO-GJZGRUSLSA-N 0 0 374.460 2.777 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000267182345 509384327 /nfs/dbraw/zinc/38/43/27/509384327.db2.gz HXDVZLVXTVTIPO-KRWDZBQOSA-N 0 0 374.506 2.875 20 10 FFCDRN C[C@@H]1CN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CCS1 ZINC000264216919 509389074 /nfs/dbraw/zinc/38/90/74/509389074.db2.gz NYCYKOXUCQXAOE-CQSZACIVSA-N 0 0 364.536 2.979 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)C(=O)CCC3)cc1 ZINC000176227958 509391143 /nfs/dbraw/zinc/39/11/43/509391143.db2.gz KJYUJDYFUKZHJR-UHFFFAOYSA-N 0 0 365.433 2.527 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)c3ccc(C=O)[nH]3)cc2F)C[C@H](C)O1 ZINC000267355388 509464339 /nfs/dbraw/zinc/46/43/39/509464339.db2.gz MXUPNKNEKMWXGL-STQMWFEESA-N 0 0 359.401 2.510 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCc3nnc(C)[nH]3)c2C)cc1 ZINC000264359663 509481332 /nfs/dbraw/zinc/48/13/32/509481332.db2.gz RUKDFYQVHPEKJO-UHFFFAOYSA-N 0 0 353.426 2.502 20 10 FFCDRN Cc1c(CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cnn1C ZINC000179504376 509484255 /nfs/dbraw/zinc/48/42/55/509484255.db2.gz SWFWYFGTCNBADE-GOSISDBHSA-N 0 0 357.454 2.575 20 10 FFCDRN O=C(CN1CCCCCC1=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267552692 509536751 /nfs/dbraw/zinc/53/67/51/509536751.db2.gz GXMOZUMZSIJXOI-UHFFFAOYSA-N 0 0 363.421 2.737 20 10 FFCDRN C[C@@H]1CS(=O)(=O)CCN1Cc1ccc(OCc2ccccc2)cc1O ZINC000183083179 509585719 /nfs/dbraw/zinc/58/57/19/509585719.db2.gz KTWPIIYAGIMVPB-OAHLLOKOSA-N 0 0 361.463 2.590 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000267738195 509596674 /nfs/dbraw/zinc/59/66/74/509596674.db2.gz UZCRRSISWCOYPV-HZPDHXFCSA-N 0 0 369.387 2.660 20 10 FFCDRN Nc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000176587075 509597993 /nfs/dbraw/zinc/59/79/93/509597993.db2.gz PDRCYCSGKLHWBU-CQSZACIVSA-N 0 0 371.393 2.704 20 10 FFCDRN C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)c1nnc2n1CCC2 ZINC000264578720 509610363 /nfs/dbraw/zinc/61/03/63/509610363.db2.gz VGTVDVUBGUIVMD-AWEZNQCLSA-N 0 0 368.485 2.726 20 10 FFCDRN O=c1[nH]c(NCc2ccc(N3CCOCC3)c(F)c2)nc2ccccc21 ZINC000264631865 509619724 /nfs/dbraw/zinc/61/97/24/509619724.db2.gz KXHVMDKZIMNPHR-UHFFFAOYSA-N 0 0 354.385 2.923 20 10 FFCDRN CCn1cnc2c1ncnc2NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000264645824 509621218 /nfs/dbraw/zinc/62/12/18/509621218.db2.gz HDSFYWWMLKMDHQ-UHFFFAOYSA-N 0 0 370.432 2.559 20 10 FFCDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)N(C)Cc1ccccc1O ZINC000267813291 509624506 /nfs/dbraw/zinc/62/45/06/509624506.db2.gz RWPDJLCUDVZVKE-UHFFFAOYSA-N 0 0 357.410 2.767 20 10 FFCDRN COC(=O)c1ccc(COC(=O)/C=C/c2ccc(N3CCOCC3)cc2)o1 ZINC000264732506 509671117 /nfs/dbraw/zinc/67/11/17/509671117.db2.gz LHQIJEKSCQGYNZ-RUDMXATFSA-N 0 0 371.389 2.659 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccnc(OCC(F)(F)F)c1 ZINC000186440648 509709253 /nfs/dbraw/zinc/70/92/53/509709253.db2.gz MBUXEKVDASOALU-JTQLQIEISA-N 0 0 370.327 2.795 20 10 FFCDRN COc1ccc2[nH]cc(CC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c2c1 ZINC000183485779 509818877 /nfs/dbraw/zinc/81/88/77/509818877.db2.gz SLXFNPCQBOVTKN-LBPRGKRZSA-N 0 0 354.406 2.878 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC000183489809 509821868 /nfs/dbraw/zinc/82/18/68/509821868.db2.gz ZPRWXMDRXHPLLR-KBXCAEBGSA-N 0 0 372.440 2.949 20 10 FFCDRN COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(C)n(-c3ccccn3)c1C)CC2 ZINC000265028978 509828339 /nfs/dbraw/zinc/82/83/39/509828339.db2.gz IDGDDNIXAFMNRB-KRWDZBQOSA-N 0 0 367.449 2.904 20 10 FFCDRN COC(C)(C)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000170962183 509872181 /nfs/dbraw/zinc/87/21/81/509872181.db2.gz NJMHGNYNKCURRM-UHFFFAOYSA-N 0 0 360.376 2.583 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000174064078 509931018 /nfs/dbraw/zinc/93/10/18/509931018.db2.gz YIAKNHMDGCEPGF-UHFFFAOYSA-N 0 0 372.368 2.758 20 10 FFCDRN COc1cc(N2CCN(Cc3ncccc3C)CC2)cc(OC)c1OC ZINC000183703198 509936716 /nfs/dbraw/zinc/93/67/16/509936716.db2.gz RSEPDFYXLSTXDZ-UHFFFAOYSA-N 0 0 357.454 2.738 20 10 FFCDRN C[C@H]1CN(c2ccc(NC(=O)NCCc3ccc(O)c(O)c3)cc2)CCO1 ZINC000268469366 509951763 /nfs/dbraw/zinc/95/17/63/509951763.db2.gz KADQIEZVYFRRHN-AWEZNQCLSA-N 0 0 371.437 2.687 20 10 FFCDRN Cc1cc(Br)cc(CN2CCC[C@@H]2c2nncn2C)c1O ZINC000180561676 509985651 /nfs/dbraw/zinc/98/56/51/509985651.db2.gz GXEBLBJAQIQIPJ-CYBMUJFWSA-N 0 0 351.248 2.929 20 10 FFCDRN CCCNC(=O)CCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000265462345 510066574 /nfs/dbraw/zinc/06/65/74/510066574.db2.gz ZANGWTQQKCGBLR-QGZVFWFLSA-N 0 0 362.470 2.596 20 10 FFCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000180775135 510102152 /nfs/dbraw/zinc/10/21/52/510102152.db2.gz ZBJHNOUZOCZKNQ-MNDMWVCDSA-N 0 0 370.380 2.514 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1c(C)ccn1C ZINC000190423468 510123177 /nfs/dbraw/zinc/12/31/77/510123177.db2.gz GVBHKHNJLTTXJL-UHFFFAOYSA-N 0 0 350.802 2.508 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O ZINC000193941230 510139202 /nfs/dbraw/zinc/13/92/02/510139202.db2.gz ZTOQQCTZDGKFFD-QMMMGPOBSA-N 0 0 371.315 2.558 20 10 FFCDRN CCc1ccccc1S(=O)(=O)Nc1ccc(NS(=O)(=O)CC)cc1 ZINC000187300233 510181023 /nfs/dbraw/zinc/18/10/23/510181023.db2.gz JDPJEAYVYLPBPX-UHFFFAOYSA-N 0 0 368.480 2.811 20 10 FFCDRN COCCn1cc(C(=O)NCc2cccc(OC)c2O)c2ccccc21 ZINC000171486672 510189606 /nfs/dbraw/zinc/18/96/06/510189606.db2.gz UUCNQHDGJJUPDA-UHFFFAOYSA-N 0 0 354.406 2.932 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c(O)c1O ZINC000177673912 510193960 /nfs/dbraw/zinc/19/39/60/510193960.db2.gz NFIPRVDQPMAGIT-UHFFFAOYSA-N 0 0 360.454 2.517 20 10 FFCDRN CC(=O)Nc1cccc2c1CCN(C(=O)/C=C/c1ccc(O)c(O)c1)C2 ZINC000180960331 510209270 /nfs/dbraw/zinc/20/92/70/510209270.db2.gz BSSXBHMVPXEHPV-SOFGYWHQSA-N 0 0 352.390 2.654 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc(NC=O)cc3)CC2)cc1 ZINC000174718305 510269017 /nfs/dbraw/zinc/26/90/17/510269017.db2.gz AHRALKLRXPMZIN-UHFFFAOYSA-N 0 0 353.422 2.616 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccccc1 ZINC000181164950 510290281 /nfs/dbraw/zinc/29/02/81/510290281.db2.gz PFMMLBVYFWXRET-INIZCTEOSA-N 0 0 351.450 2.835 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NCCCC(=O)N(C)C)cc2)CC1 ZINC000171758741 510351297 /nfs/dbraw/zinc/35/12/97/510351297.db2.gz CBCRNYBUTMMXRY-UHFFFAOYSA-N 0 0 360.502 2.591 20 10 FFCDRN COc1ccnc(CN(Cc2ccccc2O)C[C@H]2CCCO2)c1OC ZINC000190859896 510378367 /nfs/dbraw/zinc/37/83/67/510378367.db2.gz QRLNGILOWLYPBN-MRXNPFEDSA-N 0 0 358.438 2.986 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)c(F)c2[O-])c1 ZINC000187694012 510389547 /nfs/dbraw/zinc/38/95/47/510389547.db2.gz NABXYNQFAGXHLV-QWRGUYRKSA-N 0 0 370.421 2.990 20 10 FFCDRN C=CC(=O)NCCC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000269453893 510415151 /nfs/dbraw/zinc/41/51/51/510415151.db2.gz PTHNYQCMCHQTAF-UHFFFAOYSA-N 0 0 355.438 2.567 20 10 FFCDRN CC(=O)Nc1ccc(NC(=O)CN2CCOc3cc(N(C)C)ccc32)cc1 ZINC000175029414 510446930 /nfs/dbraw/zinc/44/69/30/510446930.db2.gz LGIOQXKHYOPBRI-UHFFFAOYSA-N 0 0 368.437 2.549 20 10 FFCDRN COc1cccc(CNC(=O)C2(OCc3ccccc3)CCOCC2)c1O ZINC000269622971 510487853 /nfs/dbraw/zinc/48/78/53/510487853.db2.gz URTGGHZFQBONPP-UHFFFAOYSA-N 0 0 371.433 2.783 20 10 FFCDRN C[C@H]1Oc2c(cccc2C(=O)N2CCOc3cc(N(C)C)ccc32)NC1=O ZINC000266370116 510545857 /nfs/dbraw/zinc/54/58/57/510545857.db2.gz USJXCFUFDPSPBU-GFCCVEGCSA-N 0 0 367.405 2.511 20 10 FFCDRN C[C@H](NC(=O)C1CCCC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269841263 510567901 /nfs/dbraw/zinc/56/79/01/510567901.db2.gz RNYOCCHNIYNPFO-YJBOKZPZSA-N 0 0 374.481 2.595 20 10 FFCDRN CSCCCCC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000188116459 510602318 /nfs/dbraw/zinc/60/23/18/510602318.db2.gz XLRQJZXWSCIMFB-UHFFFAOYSA-N 0 0 363.527 2.505 20 10 FFCDRN Cc1cnc(CCN(C)C(=O)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000269932037 510604971 /nfs/dbraw/zinc/60/49/71/510604971.db2.gz GGBMPHGNDDOZIZ-UHFFFAOYSA-N 0 0 374.510 2.672 20 10 FFCDRN Cc1nnccc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000269976815 510626403 /nfs/dbraw/zinc/62/64/03/510626403.db2.gz NHGOINAXLHOBJZ-SFHVURJKSA-N 0 0 354.454 2.672 20 10 FFCDRN NC(=O)CSc1ccccc1C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000175420799 510639446 /nfs/dbraw/zinc/63/94/46/510639446.db2.gz FDNXMHFFGKBDFC-UKRRQHHQSA-N 0 0 350.509 2.764 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185122805 510698394 /nfs/dbraw/zinc/69/83/94/510698394.db2.gz DGZMBAOYTIMNBM-RYUDHWBXSA-N 0 0 352.431 2.851 20 10 FFCDRN O=C(N[C@H]1CCC[C@@H]1CCO)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000188373742 510734545 /nfs/dbraw/zinc/73/45/45/510734545.db2.gz HRGGWEXMNZNAHU-NJAFHUGGSA-N 0 0 362.470 2.634 20 10 FFCDRN CCS(=O)(=O)c1ccc(N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000191774722 510825073 /nfs/dbraw/zinc/82/50/73/510825073.db2.gz UXUWIXKCDHFQRH-UHFFFAOYSA-N 0 0 374.506 2.953 20 10 FFCDRN Cc1cc(C(=O)NC2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)c(C)o1 ZINC000182313143 510848714 /nfs/dbraw/zinc/84/87/14/510848714.db2.gz RLXVUOMFXFCWFV-UHFFFAOYSA-N 0 0 372.421 2.651 20 10 FFCDRN CC(C)[N@H+](C)CC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000360185874 510881381 /nfs/dbraw/zinc/88/13/81/510881381.db2.gz AAZZEGCHXMDBBK-UHFFFAOYSA-N 0 0 355.429 2.713 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@@H]2c2nnc(C)o2)c(C)n1-c1ccccc1 ZINC000275353250 510881728 /nfs/dbraw/zinc/88/17/28/510881728.db2.gz LYKNHAYXOQCLDC-GOSISDBHSA-N 0 0 366.421 2.999 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc([C@@H]2CCOC2)c1 ZINC000270502201 510889368 /nfs/dbraw/zinc/88/93/68/510889368.db2.gz XZVNGLANNTUVDK-HXUWFJFHSA-N 0 0 366.461 2.957 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCO[C@@H]2c2cccnc2)cc1F ZINC000275586579 510907144 /nfs/dbraw/zinc/90/71/44/510907144.db2.gz JSKKPCPIDRMQAF-FUHWJXTLSA-N 0 0 358.417 2.616 20 10 FFCDRN Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000282285606 510914227 /nfs/dbraw/zinc/91/42/27/510914227.db2.gz BPTCOFPMWBWFMY-SFHVURJKSA-N 0 0 353.470 2.897 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NCc3nnc(C4CC4)[nH]3)cc2)CC1 ZINC000297375558 510923066 /nfs/dbraw/zinc/92/30/66/510923066.db2.gz VGZNHOYSBNUUIV-UHFFFAOYSA-N 0 0 368.485 2.918 20 10 FFCDRN Cc1cccc(CN(C)C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000297387471 510926155 /nfs/dbraw/zinc/92/61/55/510926155.db2.gz AHHSBBAFYJZEMI-UHFFFAOYSA-N 0 0 353.466 2.678 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ccc([N+](=O)[O-])cc3)cc2)CC1 ZINC000276296598 510931884 /nfs/dbraw/zinc/93/18/84/510931884.db2.gz KRXADENNBWHERB-UHFFFAOYSA-N 0 0 354.410 2.875 20 10 FFCDRN CCOc1nc(C)ccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000276643652 510943619 /nfs/dbraw/zinc/94/36/19/510943619.db2.gz NVKDFHAUJPDZJN-UHFFFAOYSA-N 0 0 369.465 2.898 20 10 FFCDRN COc1cncc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)n1 ZINC000276705387 510945597 /nfs/dbraw/zinc/94/55/97/510945597.db2.gz CKYZOHRCYNDSPZ-UHFFFAOYSA-N 0 0 368.359 2.756 20 10 FFCDRN COc1ccc(CN2CCCN(C(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC000276778967 510946507 /nfs/dbraw/zinc/94/65/07/510946507.db2.gz ZFGANKHEODUIIR-UHFFFAOYSA-N 0 0 374.412 2.594 20 10 FFCDRN COc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc([N+](=O)[O-])c1C ZINC000276806903 510947306 /nfs/dbraw/zinc/94/73/06/510947306.db2.gz LPYWZCNQZPWVQW-SNVBAGLBSA-N 0 0 360.366 2.684 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1ccc(F)c(F)c1[O-] ZINC000276998721 510951815 /nfs/dbraw/zinc/95/18/15/510951815.db2.gz YXIZGGINQUBULF-MLGOLLRUSA-N 0 0 361.392 2.907 20 10 FFCDRN CCO[C@H]1C[C@]2(NC(=O)N(Cc3ccc(N4CCCC4)cc3)C2=O)C1(C)C ZINC000277249521 510957254 /nfs/dbraw/zinc/95/72/54/510957254.db2.gz HXKXDMGSWCMLLA-LAUBAEHRSA-N 0 0 371.481 2.912 20 10 FFCDRN CN(C)c1ccc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cc1 ZINC000277322384 510960285 /nfs/dbraw/zinc/96/02/85/510960285.db2.gz NXOZZNPHBTXOMT-SFHVURJKSA-N 0 0 370.449 2.699 20 10 FFCDRN COc1cc([N+](=O)[O-])ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000277362901 510961795 /nfs/dbraw/zinc/96/17/95/510961795.db2.gz CKRORCDPYNFBPD-UHFFFAOYSA-N 0 0 357.366 2.709 20 10 FFCDRN Cn1ncc2c1CCC[C@H]2N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277405209 510962409 /nfs/dbraw/zinc/96/24/09/510962409.db2.gz QFTUTZFPZOKPLS-OAHLLOKOSA-N 0 0 374.828 2.621 20 10 FFCDRN CC1(C)C[C@@H](NC(=O)NCc2cccc(Br)c2O)CCO1 ZINC000277428102 510963559 /nfs/dbraw/zinc/96/35/59/510963559.db2.gz LQANWQAHMJAWOV-NSHDSACASA-N 0 0 357.248 2.912 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCCc2cccnc21 ZINC000277711135 510970625 /nfs/dbraw/zinc/97/06/25/510970625.db2.gz MNTKTINPWJECHP-IBGZPJMESA-N 0 0 351.450 2.655 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@](C)(O)c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000278102538 510981951 /nfs/dbraw/zinc/98/19/51/510981951.db2.gz ABMSWCZJEXSIBY-QGZVFWFLSA-N 0 0 366.801 2.960 20 10 FFCDRN COC[C@@H](OC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000278401899 510992379 /nfs/dbraw/zinc/99/23/79/510992379.db2.gz GVQADSRWJPKHBN-BBOMDTFKSA-N 0 0 374.462 2.924 20 10 FFCDRN C[C@H]1C[N@@H+](C2CCOCC2)CCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000278576124 511000186 /nfs/dbraw/zinc/00/01/86/511000186.db2.gz GUASWAMBKRZFDU-LBPRGKRZSA-N 0 0 369.849 2.639 20 10 FFCDRN O=C(c1cnc2n1CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000361187176 511008196 /nfs/dbraw/zinc/00/81/96/511008196.db2.gz HZEOJBCPTGHHHD-INIZCTEOSA-N 0 0 355.438 2.746 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H](Cc2ccccc2)CN(C)C)ccc1[N+](=O)[O-] ZINC000278902475 511012929 /nfs/dbraw/zinc/01/29/29/511012929.db2.gz RIJHGAKTXMLWCL-INIZCTEOSA-N 0 0 359.426 2.572 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000285850166 511014607 /nfs/dbraw/zinc/01/46/07/511014607.db2.gz ZCPFPAWGUKRPPT-BXKDBHETSA-N 0 0 354.319 2.584 20 10 FFCDRN CC[C@@H]1CCc2nc(NC(=O)C(=O)NCc3ccccc3O)sc2C1 ZINC000279023049 511017233 /nfs/dbraw/zinc/01/72/33/511017233.db2.gz GZAPMMLGQGHQCU-LLVKDONJSA-N 0 0 359.451 2.619 20 10 FFCDRN CCc1csc(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000279137795 511019788 /nfs/dbraw/zinc/01/97/88/511019788.db2.gz CTDOPHQXYRDZSP-UHFFFAOYSA-N 0 0 359.495 2.743 20 10 FFCDRN CN(C)C(=O)C[C@@H]1CN(C(=O)c2cccc(O)c2O)c2ccc(Cl)cc21 ZINC000279267507 511023297 /nfs/dbraw/zinc/02/32/97/511023297.db2.gz KATQJCMNOOINHK-LLVKDONJSA-N 0 0 374.824 2.974 20 10 FFCDRN CSCC[C@@H](O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000294318219 511025859 /nfs/dbraw/zinc/02/58/59/511025859.db2.gz JVHBHQKFUCSSAN-GOSISDBHSA-N 0 0 362.495 2.988 20 10 FFCDRN Cc1nn(C)cc1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000286531380 511027577 /nfs/dbraw/zinc/02/75/77/511027577.db2.gz GLYMOMDYVWENRA-UHFFFAOYSA-N 0 0 362.499 2.540 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)sn1 ZINC000287591528 511052935 /nfs/dbraw/zinc/05/29/35/511052935.db2.gz WFQBSKWINPTJKX-UHFFFAOYSA-N 0 0 358.467 2.647 20 10 FFCDRN CC[C@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(F)cc1O ZINC000287578226 511053037 /nfs/dbraw/zinc/05/30/37/511053037.db2.gz QXGRIDHGNMRFJU-INIZCTEOSA-N 0 0 359.401 2.652 20 10 FFCDRN CC[C@@H](C)[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000297752662 511057658 /nfs/dbraw/zinc/05/76/58/511057658.db2.gz KLYCQMOHHXZQGT-VQIMIIECSA-N 0 0 363.502 2.726 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1sc(C)nc1C ZINC000288107254 511065059 /nfs/dbraw/zinc/06/50/59/511065059.db2.gz MPYINMMDHGYILQ-UHFFFAOYSA-N 0 0 361.467 2.521 20 10 FFCDRN CN1CC[C@H](NC(=O)NCc2ccccc2O)[C@@H]1c1ccc(F)c(F)c1 ZINC000271080820 511076865 /nfs/dbraw/zinc/07/68/65/511076865.db2.gz ZUFGKDHDDLHTTO-WMZOPIPTSA-N 0 0 361.392 2.915 20 10 FFCDRN C[C@@H](CO)[N@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000289477629 511101548 /nfs/dbraw/zinc/10/15/48/511101548.db2.gz 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C[C@]1(c2ccccc2)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 ZINC000301683691 511699764 /nfs/dbraw/zinc/69/97/64/511699764.db2.gz UOEHZVCVGCZPNW-LJQANCHMSA-N 0 0 369.377 2.678 20 10 FFCDRN COc1ccc([C@H]2CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C2)cc1 ZINC000301702190 511699812 /nfs/dbraw/zinc/69/98/12/511699812.db2.gz UBTUEDGFTFSLPK-ZDUSSCGKSA-N 0 0 369.377 2.928 20 10 FFCDRN Oc1ccc(CCNc2nn3cc(-c4cccnc4)nc3s2)cc1O ZINC000302151715 511706988 /nfs/dbraw/zinc/70/69/88/511706988.db2.gz HUAUMPSMOKTQQM-UHFFFAOYSA-N 0 0 353.407 2.919 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC(C(=O)C(F)(F)F)CC2)cc1OC ZINC000302414020 511708524 /nfs/dbraw/zinc/70/85/24/511708524.db2.gz MZFYLSPRXDVIRQ-UHFFFAOYSA-N 0 0 362.304 2.960 20 10 FFCDRN CN(Cc1ccccc1O)c1nc2ccccc2nc1N1CCOCC1 ZINC000302605084 511709209 /nfs/dbraw/zinc/70/92/09/511709209.db2.gz CXMPHFAUUSTQKK-UHFFFAOYSA-N 0 0 350.422 2.808 20 10 FFCDRN CN(C)C(=O)O[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000296374477 511719048 /nfs/dbraw/zinc/71/90/48/511719048.db2.gz PIXARDZATAGQEI-SFHVURJKSA-N 0 0 374.485 2.659 20 10 FFCDRN C[C@H]1[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000292939770 511779971 /nfs/dbraw/zinc/77/99/71/511779971.db2.gz JBPSNQMHVSMVQE-TUPWZPNASA-N 0 0 362.426 2.625 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000296541259 511789810 /nfs/dbraw/zinc/78/98/10/511789810.db2.gz FEGLDBBYWZRXKF-MAUKXSAKSA-N 0 0 354.516 2.860 20 10 FFCDRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000274377771 511812847 /nfs/dbraw/zinc/81/28/47/511812847.db2.gz ICOKSGXSNSOSRL-OAHLLOKOSA-N 0 0 374.485 2.775 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cncc(F)c1 ZINC000281372168 511822771 /nfs/dbraw/zinc/82/27/71/511822771.db2.gz GLQCVDGXKODYCR-UHFFFAOYSA-N 0 0 358.417 2.662 20 10 FFCDRN COCC[C@H](CO)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000281378001 511825302 /nfs/dbraw/zinc/82/53/02/511825302.db2.gz AMAIMMWWTWYJLT-DUPNKOKHSA-N 0 0 370.409 2.554 20 10 FFCDRN CCn1nccc1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000274424088 511830077 /nfs/dbraw/zinc/83/00/77/511830077.db2.gz CODIZKXJROWEIP-UHFFFAOYSA-N 0 0 350.488 2.568 20 10 FFCDRN Cn1cc(-c2nn(C)cc2C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)cn1 ZINC000364007794 511902427 /nfs/dbraw/zinc/90/24/27/511902427.db2.gz GQCAIWDLLUPXSZ-GFCCVEGCSA-N 0 0 361.405 2.541 20 10 FFCDRN CSCC[C@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccc(N)cc1 ZINC000296824384 511911376 /nfs/dbraw/zinc/91/13/76/511911376.db2.gz ATDJUFHISJHLES-SFHVURJKSA-N 0 0 371.506 2.745 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000293346635 511931847 /nfs/dbraw/zinc/93/18/47/511931847.db2.gz BTZWALINFXCTOF-PBHICJAKSA-N 0 0 368.433 2.588 20 10 FFCDRN C[C@@]1(c2ccccc2)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000364052234 511932118 /nfs/dbraw/zinc/93/21/18/511932118.db2.gz BEJADFOEYCMRDJ-LJQANCHMSA-N 0 0 374.462 2.568 20 10 FFCDRN Cc1c(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)cnn1C ZINC000293502348 511989095 /nfs/dbraw/zinc/98/90/95/511989095.db2.gz RWDXYBBHYNQUOQ-UHFFFAOYSA-N 0 0 363.483 2.958 20 10 FFCDRN Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)c2cccc(O)c2O)c1C ZINC000274928717 511990501 /nfs/dbraw/zinc/99/05/01/511990501.db2.gz COIWSFCHJYNDNR-OAHLLOKOSA-N 0 0 372.446 2.868 20 10 FFCDRN Cc1nnc([C@H]2CCCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)[nH]1 ZINC000274934138 511991321 /nfs/dbraw/zinc/99/13/21/511991321.db2.gz MEHHJXDEGHMXGC-KRWDZBQOSA-N 0 0 366.469 2.579 20 10 FFCDRN CN(C(=O)/C=C/c1ccc(O)c(O)c1)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000297056947 512003815 /nfs/dbraw/zinc/00/38/15/512003815.db2.gz VZDQKTVXRLWONG-SOFGYWHQSA-N 0 0 362.426 2.625 20 10 FFCDRN CCOc1cc(/C=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC000274997997 512010636 /nfs/dbraw/zinc/01/06/36/512010636.db2.gz ZWBNUNGDFIWBGW-YSKGHYERSA-N 0 0 357.406 2.963 20 10 FFCDRN CCOc1cc(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O ZINC000274997993 512011063 /nfs/dbraw/zinc/01/10/63/512011063.db2.gz ZWBNUNGDFIWBGW-PPGNKHEKSA-N 0 0 357.406 2.963 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1Cl ZINC000285146530 512016790 /nfs/dbraw/zinc/01/67/90/512016790.db2.gz YXYLQDDDQBOICL-CYBMUJFWSA-N 0 0 359.857 2.900 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)COc3ccccc3O)CC2)cc1 ZINC000366460182 512035175 /nfs/dbraw/zinc/03/51/75/512035175.db2.gz ZPMIPRVFNWMDDF-UHFFFAOYSA-N 0 0 356.422 2.519 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293806674 512089009 /nfs/dbraw/zinc/08/90/09/512089009.db2.gz VRRLFPPTBMZRRN-UHFFFAOYSA-N 0 0 359.397 2.893 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N=c3ccn(C(C)C)[nH]3)CC2)cc1 ZINC000373845919 512534907 /nfs/dbraw/zinc/53/49/07/512534907.db2.gz VXGYGBIFPQAXBE-UHFFFAOYSA-N 0 0 357.458 2.639 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000367680469 512613068 /nfs/dbraw/zinc/61/30/68/512613068.db2.gz AJLFQXZEOUZIAB-ZIAGYGMSSA-N 0 0 350.415 2.948 20 10 FFCDRN CC(=O)N1CC[C@](C)(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000369991385 512716254 /nfs/dbraw/zinc/71/62/54/512716254.db2.gz QKEPNMNPDZYMAJ-NRFANRHFSA-N 0 0 357.498 2.894 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc4oc(=O)[nH]c4c3)CC2)cc1 ZINC000376315416 512764118 /nfs/dbraw/zinc/76/41/18/512764118.db2.gz GELMBUBGDOJUCK-UHFFFAOYSA-N 0 0 367.405 2.895 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCOC[C@H]2c2c(C)nn(C)c2C)c1O ZINC000374481738 512852819 /nfs/dbraw/zinc/85/28/19/512852819.db2.gz OUSPGHCCTDVATJ-KRWDZBQOSA-N 0 0 361.417 2.658 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cn3c(n2)CCCC3)cc1 ZINC000374797263 513008322 /nfs/dbraw/zinc/00/83/22/513008322.db2.gz GTVDYLNWVRDUCP-UHFFFAOYSA-N 0 0 374.510 2.639 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cccnc2-c2cnn(C)c2)c1O ZINC000372793516 513046062 /nfs/dbraw/zinc/04/60/62/513046062.db2.gz MOPVSNKOKTVUCQ-UHFFFAOYSA-N 0 0 353.382 2.518 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CCN(CC(F)(F)F)C1 ZINC000471232193 514806509 /nfs/dbraw/zinc/80/65/09/514806509.db2.gz TVSMIWWAYMRGQL-ZDUSSCGKSA-N 0 0 353.388 2.987 20 10 FFCDRN COCCOc1cc(C(=O)NCc2c(C)c3ccccc3n2C)ccn1 ZINC000471227372 514807128 /nfs/dbraw/zinc/80/71/28/514807128.db2.gz JSEXSTTXADXGNL-UHFFFAOYSA-N 0 0 353.422 2.837 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cn1cnc2c(C)cccc2c1=O ZINC000471235393 514808990 /nfs/dbraw/zinc/80/89/90/514808990.db2.gz OUYNRCVLYWSKSR-UHFFFAOYSA-N 0 0 374.444 2.821 20 10 FFCDRN COCCNC(=O)c1ccc(NCc2c(C)c3ccccc3n2C)nc1 ZINC000480507020 514980913 /nfs/dbraw/zinc/98/09/13/514980913.db2.gz ZHYWJTVEMIDHEL-UHFFFAOYSA-N 0 0 352.438 2.870 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1cccc(N(C)C)n1 ZINC000472117868 515132636 /nfs/dbraw/zinc/13/26/36/515132636.db2.gz NICGIPWUURWIIB-UHFFFAOYSA-N 0 0 351.454 2.947 20 10 FFCDRN COc1ccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)cc1 ZINC000472780634 515395979 /nfs/dbraw/zinc/39/59/79/515395979.db2.gz AKIINNMVPJXZQW-UHFFFAOYSA-N 0 0 351.406 2.750 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCC(=O)NC(C)(C)C)ccc21 ZINC000486474863 515497154 /nfs/dbraw/zinc/49/71/54/515497154.db2.gz WNFTWNKOUYSPRI-UHFFFAOYSA-N 0 0 373.497 2.939 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1nnn(Cc2ccncc2)c1C ZINC000552532701 517297525 /nfs/dbraw/zinc/29/75/25/517297525.db2.gz SCOGUGZGSGWRCU-UHFFFAOYSA-N 0 0 374.448 2.760 20 10 FFCDRN COc1cccc([C@@H](CN2C(=O)CN(Cc3ccccc3O)C2=O)OC)c1 ZINC000530199980 517624414 /nfs/dbraw/zinc/62/44/14/517624414.db2.gz VFKVMCSVCALOLZ-GOSISDBHSA-N 0 0 370.405 2.553 20 10 FFCDRN OC[C@@]1([NH2+]Cc2cc(Br)ccc2O)COc2ccccc2C1 ZINC000527769458 517901755 /nfs/dbraw/zinc/90/17/55/517901755.db2.gz OWJALQUMEOPJTJ-QGZVFWFLSA-N 0 0 364.239 2.611 20 10 FFCDRN Cc1cc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)nc(C)n1 ZINC000543466522 518106774 /nfs/dbraw/zinc/10/67/74/518106774.db2.gz HPHPKUVARQSVOX-UHFFFAOYSA-N 0 0 352.419 2.562 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCC[C@@H](C(C)C)C1 ZINC000584489568 518364919 /nfs/dbraw/zinc/36/49/19/518364919.db2.gz KYNQHUKYXOPRSL-MRXNPFEDSA-N 0 0 355.482 2.998 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@@H](C)C2(CO)CC2)CCCC1 ZINC000617913820 520776887 /nfs/dbraw/zinc/77/68/87/520776887.db2.gz OUJFKJVLUBJWDA-AWEZNQCLSA-N 0 0 356.466 2.806 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)C2(CO)CC2)CCCC1 ZINC000617913821 520777445 /nfs/dbraw/zinc/77/74/45/520777445.db2.gz OUJFKJVLUBJWDA-CQSZACIVSA-N 0 0 356.466 2.806 20 10 FFCDRN CCn1c2ccc(C(=O)N3CCOc4cc(N(C)C)ccc43)cc2[nH]c1=O ZINC000611657078 521267835 /nfs/dbraw/zinc/26/78/35/521267835.db2.gz IQNPXAADBNTLCA-UHFFFAOYSA-N 0 0 366.421 2.867 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3Cc4cnn(C)c4C3)ccc21 ZINC000623244886 521881030 /nfs/dbraw/zinc/88/10/30/521881030.db2.gz CYBILGIPKFTVFU-UHFFFAOYSA-N 0 0 352.438 2.794 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CC1CCN(CC(F)F)CC1 ZINC000635628642 522407205 /nfs/dbraw/zinc/40/72/05/522407205.db2.gz ORYRSNVAFDYAHM-UHFFFAOYSA-N 0 0 367.440 2.845 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000736532454 598607633 /nfs/dbraw/zinc/60/76/33/598607633.db2.gz SEZWCLKUKGYZQZ-UHFFFAOYSA-N 0 0 364.453 2.985 20 10 FFCDRN CC(C)Oc1ccc(NC(=O)NCc2ccccc2O)cc1-c1nn[nH]n1 ZINC000820170134 607426212 /nfs/dbraw/zinc/42/62/12/607426212.db2.gz RQCXYKSJHGPWLV-UHFFFAOYSA-N 0 0 368.397 2.681 20 10 FFCDRN CO[C@@H](C)c1noc(CN(C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000831505201 601401753 /nfs/dbraw/zinc/40/17/53/601401753.db2.gz IUTJPHLDWKRRTL-NSHDSACASA-N 0 0 371.393 2.966 20 10 FFCDRN O=C([O-])c1cc(C[NH2+][C@H]2CCCN(Cc3cc(Cl)ccc3O)C2)c[nH]1 ZINC000833296683 601833508 /nfs/dbraw/zinc/83/35/08/601833508.db2.gz PQQCOKLUDSYWSV-HNNXBMFYSA-N 0 0 363.845 2.826 20 10 FFCDRN CC(C)C[C@@](C)(CNC(=O)[O-])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000738804070 603246426 /nfs/dbraw/zinc/24/64/26/603246426.db2.gz FXKGSMTXWGGYAD-IBGZPJMESA-N 0 0 367.465 2.824 20 10 FFCDRN COc1cc(O)c(C[N@H+](CC(=O)[O-])Cc2ccc(F)c(F)c2)cc1OC ZINC000833728924 604544494 /nfs/dbraw/zinc/54/44/94/604544494.db2.gz FRIHWVCONPFUKT-UHFFFAOYSA-N 0 0 367.348 2.774 20 10 FFCDRN C[C@H]([NH2+]CC1CCN(C(=O)[O-])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825491086 604928632 /nfs/dbraw/zinc/92/86/32/604928632.db2.gz WDLWOEFFZDUEFU-AWEZNQCLSA-N 0 0 365.449 2.703 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000821221665 606535312 /nfs/dbraw/zinc/53/53/12/606535312.db2.gz LKZCVWQHVUSCOL-UHFFFAOYSA-N 0 0 356.455 2.657 20 10 FFCDRN CN(C(=O)C=Cc1cncc(F)c1)c1cc(Cl)ccc1-c1nn[nH]n1 ZINC000821569808 606962750 /nfs/dbraw/zinc/96/27/50/606962750.db2.gz WODZEUXLEUNZQR-DJWKRKHSSA-N 0 0 358.764 2.730 20 10 FFCDRN COc1ccc2c(c1)CCCCN2C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826212810 608259219 /nfs/dbraw/zinc/25/92/19/608259219.db2.gz BTDRXZPOBCLUQG-LJQANCHMSA-N 0 0 365.437 2.752 20 10 FFCDRN O=C(NCCCSc1nccs1)NCCc1cn2c(n1)CCCC2 ZINC000152376551 728757061 /nfs/dbraw/zinc/75/70/61/728757061.db2.gz QXBBBQSNNDJLBK-UHFFFAOYSA-N 0 0 365.528 2.700 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CC[C@H](CO)CC1 ZINC000152421088 728758391 /nfs/dbraw/zinc/75/83/91/728758391.db2.gz HOWHIZYZEKMGGY-CALCHBBNSA-N 0 0 363.527 2.590 20 10 FFCDRN C[S@@](=O)c1ccc(CNC(=O)NCCCSc2nccs2)cc1 ZINC000154367121 728802819 /nfs/dbraw/zinc/80/28/19/728802819.db2.gz UHRRUIOLSUCAFU-QHCPKHFHSA-N 0 0 369.537 2.862 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@H](O)c1cccc(F)c1 ZINC000154559882 728807035 /nfs/dbraw/zinc/80/70/35/728807035.db2.gz ZRPMRTKJKLYSIJ-CYBMUJFWSA-N 0 0 355.460 2.797 20 10 FFCDRN O[C@@H](COC[C@@H]1CCCO1)CN1CCCc2cc(OC(F)F)ccc21 ZINC000157837059 728878039 /nfs/dbraw/zinc/87/80/39/728878039.db2.gz ZBQAXJFOBNSQMY-ZBFHGGJFSA-N 0 0 357.397 2.597 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CS(=O)(=O)C(C)(C)C ZINC000157889234 728878642 /nfs/dbraw/zinc/87/86/42/728878642.db2.gz KCCYKYKFQKYPMI-UHFFFAOYSA-N 0 0 366.527 2.849 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NOCCC(F)(F)F)CC2)cc1 ZINC000158280221 728885746 /nfs/dbraw/zinc/88/57/46/728885746.db2.gz HDTVXEIVTNQVPW-UHFFFAOYSA-N 0 0 361.364 2.847 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cnn(Cc2ccccc2Cl)c1 ZINC000159052078 728899942 /nfs/dbraw/zinc/89/99/42/728899942.db2.gz JESVCRRXTNDFHX-UHFFFAOYSA-N 0 0 357.797 2.926 20 10 FFCDRN O=C(COc1ccccc1Br)NCCc1ccc(O)c(O)c1 ZINC000159822136 728912975 /nfs/dbraw/zinc/91/29/75/728912975.db2.gz ZBPBGXMWTVQBKY-UHFFFAOYSA-N 0 0 366.211 2.598 20 10 FFCDRN CC(C)N(C[C@H](C)O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000160920429 728926960 /nfs/dbraw/zinc/92/69/60/728926960.db2.gz YQLACUQVEISZRM-HNNXBMFYSA-N 0 0 351.516 2.541 20 10 FFCDRN CCOC(=O)[C@@H](F)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898558634 735382748 /nfs/dbraw/zinc/38/27/48/735382748.db2.gz ZTOTZZYXQRDYSI-VFZGTOFNSA-N 0 0 367.398 2.676 20 10 FFCDRN Cc1cc(C(=O)CN2CCNC(=O)C2)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000007216745 727790881 /nfs/dbraw/zinc/79/08/81/727790881.db2.gz XMPJORFNXZVGFN-UHFFFAOYSA-N 0 0 363.820 2.501 20 10 FFCDRN CNc1nc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cs1 ZINC000007844385 727799186 /nfs/dbraw/zinc/79/91/86/727799186.db2.gz BSQXAMFKWUKBGW-UHFFFAOYSA-N 0 0 362.480 2.907 20 10 FFCDRN Cc1nc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)sc1C ZINC000746404110 735481647 /nfs/dbraw/zinc/48/16/47/735481647.db2.gz VSLTUOCFEVBNPL-UHFFFAOYSA-N 0 0 351.497 2.839 20 10 FFCDRN COC(=O)COc1ccccc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000899341791 735477837 /nfs/dbraw/zinc/47/78/37/735477837.db2.gz JRJDFMGYRHAPDY-PTNGSMBKSA-N 0 0 360.435 2.695 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)c3cc4cc(O)c(O)cc4s3)O2)CO1 ZINC000899476943 735501435 /nfs/dbraw/zinc/50/14/35/735501435.db2.gz ODYZCCQQGOLKDZ-QAMHXRKUSA-N 0 0 363.435 2.769 20 10 FFCDRN O=C(CNC(=O)C1=CC(=O)CS1)N1CCC(Cc2ccccc2)CC1 ZINC000746694161 735506294 /nfs/dbraw/zinc/50/62/94/735506294.db2.gz PTGZKNPXTNXILO-UHFFFAOYSA-N 0 0 358.463 2.665 20 10 FFCDRN Cc1cc(C(=O)CN(C)CCS(C)(=O)=O)c(C)n1-c1ccc(C)cc1 ZINC000076308018 728259743 /nfs/dbraw/zinc/25/97/43/728259743.db2.gz XGFXUCGLLRRBOB-UHFFFAOYSA-N 0 0 362.495 2.562 20 10 FFCDRN CSCC[C@@H](C)NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000077997621 728290750 /nfs/dbraw/zinc/29/07/50/728290750.db2.gz DSWLQLKOARLFNZ-CYBMUJFWSA-N 0 0 369.506 2.728 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)CCSC)CC2)cc1F ZINC000084890220 728427200 /nfs/dbraw/zinc/42/72/00/728427200.db2.gz BYBBXJSKCMLVNN-CYBMUJFWSA-N 0 0 355.479 2.808 20 10 FFCDRN CN(C(=O)/C=C/c1ccc(Cl)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000089617005 728444201 /nfs/dbraw/zinc/44/42/01/728444201.db2.gz RFXROJMEAWOJLC-ONNFQVAWSA-N 0 0 350.827 2.815 20 10 FFCDRN C[C@@H](NC(=O)CSCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000090370537 728450086 /nfs/dbraw/zinc/45/00/86/728450086.db2.gz RWRJREBCYOBALA-GFCCVEGCSA-N 0 0 362.417 2.996 20 10 FFCDRN CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000092510380 728468107 /nfs/dbraw/zinc/46/81/07/728468107.db2.gz XHXQFRIPHHBIOH-CQSZACIVSA-N 0 0 355.276 2.988 20 10 FFCDRN CC[N@H+](Cc1cccc(Br)c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000093414062 728475845 /nfs/dbraw/zinc/47/58/45/728475845.db2.gz GTAPOPJHVRGWAL-NSHDSACASA-N 0 0 364.305 2.800 20 10 FFCDRN C=CC(=O)NCc1ccc(C(=O)NCCCSc2nccs2)cc1 ZINC000114376099 728559979 /nfs/dbraw/zinc/55/99/79/728559979.db2.gz FZFKNHYNHBXJOM-UHFFFAOYSA-N 0 0 361.492 2.858 20 10 FFCDRN O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-n2cncn2)c(F)c1 ZINC000115532637 728565915 /nfs/dbraw/zinc/56/59/15/728565915.db2.gz KSYNKNYEFMADAA-DHDCSXOGSA-N 0 0 357.414 2.863 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)cc1OC ZINC000115592817 728566404 /nfs/dbraw/zinc/56/64/04/728566404.db2.gz WFZHRIFJLUEHKW-UHFFFAOYSA-N 0 0 364.467 2.557 20 10 FFCDRN C[C@@H](Oc1cccnc1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000117759078 728579277 /nfs/dbraw/zinc/57/92/77/728579277.db2.gz KVBIWGJIVIHFSV-OAHLLOKOSA-N 0 0 357.479 2.719 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)c3csc([N+](=O)[O-])c3)ccc21 ZINC000119672255 728598471 /nfs/dbraw/zinc/59/84/71/728598471.db2.gz UFYDMNXNZMHWOK-UHFFFAOYSA-N 0 0 367.452 2.517 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)CC[C@H]2CCCO2)cc1F ZINC000120046632 728604862 /nfs/dbraw/zinc/60/48/62/728604862.db2.gz RYJHWURXTNEMAU-OAHLLOKOSA-N 0 0 358.479 2.660 20 10 FFCDRN O=C(COc1cccc(C(F)(F)F)c1)NCCc1ccc(O)c(O)c1 ZINC000120419327 728611025 /nfs/dbraw/zinc/61/10/25/728611025.db2.gz LYGRZSFHXPJLEB-UHFFFAOYSA-N 0 0 355.312 2.854 20 10 FFCDRN Cn1cc(C(=O)NCc2ccc3c(c2)CCCN3C)c(C(F)(F)F)n1 ZINC000121919664 728642014 /nfs/dbraw/zinc/64/20/14/728642014.db2.gz GUSHZALXTNJCNQ-UHFFFAOYSA-N 0 0 352.360 2.751 20 10 FFCDRN CC[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000124441410 728670673 /nfs/dbraw/zinc/67/06/73/728670673.db2.gz JJEFACVNQQXQFB-INIZCTEOSA-N 0 0 360.483 2.930 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)CCS(C)(=O)=O)c(C)n1-c1ccccc1C ZINC000126285017 728697766 /nfs/dbraw/zinc/69/77/66/728697766.db2.gz UCBAVRLPJDUBDE-AWEZNQCLSA-N 0 0 362.495 2.956 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cncc(I)c1 ZINC000128695203 728709308 /nfs/dbraw/zinc/70/93/08/728709308.db2.gz IFYCOXOSVBGKLM-UHFFFAOYSA-N 0 0 368.174 2.664 20 10 FFCDRN C[C@@H](C(=O)NCCc1cccs1)N1CCOc2cc(N(C)C)ccc21 ZINC000130465846 728718282 /nfs/dbraw/zinc/71/82/82/728718282.db2.gz JVWQKBZWBDNSTQ-AWEZNQCLSA-N 0 0 359.495 2.760 20 10 FFCDRN COCCCn1ccc(NC(=O)NCCCSc2nccs2)n1 ZINC000130601525 728719985 /nfs/dbraw/zinc/71/99/85/728719985.db2.gz RLSPLWOMYZUHEH-UHFFFAOYSA-N 0 0 355.489 2.680 20 10 FFCDRN CCN(C)c1ccc([C@H](C)[NH2+]Cc2cccc(S(=O)(=O)NC)c2)cc1 ZINC000131967456 728723360 /nfs/dbraw/zinc/72/33/60/728723360.db2.gz DBJQYLLSEWIBTL-HNNXBMFYSA-N 0 0 361.511 2.902 20 10 FFCDRN C[C@@H]1CCCCN1C(=O)CN1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000133727100 728727639 /nfs/dbraw/zinc/72/76/39/728727639.db2.gz NBCMIIMJMZBKPS-OAHLLOKOSA-N 0 0 365.905 2.564 20 10 FFCDRN NC(=O)c1cc(NC(=O)NCCCSc2nccs2)ccc1F ZINC000152014760 728747577 /nfs/dbraw/zinc/74/75/77/728747577.db2.gz PSRCMPNFRXIKCW-UHFFFAOYSA-N 0 0 354.432 2.685 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(Br)cn2)cc1F ZINC000170771880 728988749 /nfs/dbraw/zinc/98/87/49/728988749.db2.gz ORPBNVISEOOESN-UHFFFAOYSA-N 0 0 352.207 2.979 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)C[C@H]3CCCCO3)cc2)CC1 ZINC000170990770 728994391 /nfs/dbraw/zinc/99/43/91/728994391.db2.gz XSQOSTXEQZEVDE-LJQANCHMSA-N 0 0 366.527 2.911 20 10 FFCDRN COCc1cccc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000171107074 728997663 /nfs/dbraw/zinc/99/76/63/728997663.db2.gz VVOLUMCTUJYYPN-UHFFFAOYSA-N 0 0 360.479 2.694 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C)c(C)n1-c1ccccc1C ZINC000172559190 729028166 /nfs/dbraw/zinc/02/81/66/729028166.db2.gz WMSHQKBYSPNTLO-HNNXBMFYSA-N 0 0 360.479 2.662 20 10 FFCDRN CN1C(=O)C(=Cc2ccc(Br)cc2Cl)C(=O)N(C)C1=O ZINC000174052119 729061375 /nfs/dbraw/zinc/06/13/75/729061375.db2.gz ZTTZXPXZEISQPD-UHFFFAOYSA-N 0 0 357.591 2.536 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SC[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000175241098 729091065 /nfs/dbraw/zinc/09/10/65/729091065.db2.gz ZUULLENNMFOYAB-AWEZNQCLSA-N 0 0 365.524 2.851 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)Cc2noc3ccccc32)cc1 ZINC000180391163 729213234 /nfs/dbraw/zinc/21/32/34/729213234.db2.gz OZYPERUMWHPVPN-UHFFFAOYSA-N 0 0 359.451 2.856 20 10 FFCDRN CC[C@H](CSC)NC(=O)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000181452613 729247914 /nfs/dbraw/zinc/24/79/14/729247914.db2.gz MJZLZYZMNQDNCH-CYBMUJFWSA-N 0 0 355.479 2.808 20 10 FFCDRN C[C@@](O)(C(=O)NCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000778923112 738421256 /nfs/dbraw/zinc/42/12/56/738421256.db2.gz LBJVGMPBSXJKPJ-INIZCTEOSA-N 0 0 355.312 2.641 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CSc2nccn3ccnc23)cc1 ZINC000187605985 729379034 /nfs/dbraw/zinc/37/90/34/729379034.db2.gz DHVFSVGELWISRI-UHFFFAOYSA-N 0 0 355.467 2.546 20 10 FFCDRN CSc1nn(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)c(=O)[n-]1 ZINC000188173157 729385120 /nfs/dbraw/zinc/38/51/20/729385120.db2.gz FEZAFPCELPHLQT-UHFFFAOYSA-N 0 0 356.451 2.892 20 10 FFCDRN COc1ccc(O)cc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000188429972 729388204 /nfs/dbraw/zinc/38/82/04/729388204.db2.gz WOHANBKLHWGOPS-UHFFFAOYSA-N 0 0 358.463 2.884 20 10 FFCDRN CC[C@@]1(CO)CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000190556642 729409373 /nfs/dbraw/zinc/40/93/73/729409373.db2.gz OLXARGGJXMLMJP-IBGZPJMESA-N 0 0 363.527 2.686 20 10 FFCDRN CC[C@]1(CO)CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000190556627 729409412 /nfs/dbraw/zinc/40/94/12/729409412.db2.gz OLXARGGJXMLMJP-LJQANCHMSA-N 0 0 363.527 2.686 20 10 FFCDRN CC(C)(C)OC(=O)CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000192411290 729424617 /nfs/dbraw/zinc/42/46/17/729424617.db2.gz VRTMFKAVWKPOCZ-UHFFFAOYSA-N 0 0 364.511 2.978 20 10 FFCDRN CC(C)c1csc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000192627976 729454401 /nfs/dbraw/zinc/45/44/01/729454401.db2.gz VLJOHTXOTUTBHX-UHFFFAOYSA-N 0 0 360.483 2.930 20 10 FFCDRN C[C@@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000756686843 736352216 /nfs/dbraw/zinc/35/22/16/736352216.db2.gz KQOLUMIAGPGYDK-SNVBAGLBSA-N 0 0 367.298 2.775 20 10 FFCDRN CC(C)[C@@H](C(=O)NCCc1ccc(N)cc1)S(=O)(=O)C1CCCCC1 ZINC000236646764 729554424 /nfs/dbraw/zinc/55/44/24/729554424.db2.gz LKUXDEXROQYXTF-SFHVURJKSA-N 0 0 366.527 2.700 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc([N+](=O)[O-])s1 ZINC000856208322 730316112 /nfs/dbraw/zinc/31/61/12/730316112.db2.gz MQIXHYLDJTZDEW-UHFFFAOYSA-N 0 0 361.423 2.547 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1nc(Cl)cs1 ZINC000856213622 730316398 /nfs/dbraw/zinc/31/63/98/730316398.db2.gz QRDPZOZWGCKNST-UHFFFAOYSA-N 0 0 351.859 2.688 20 10 FFCDRN Cc1c(CS(C)(=O)=O)cccc1NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779485094 738467530 /nfs/dbraw/zinc/46/75/30/738467530.db2.gz LEOAORRRULSHBB-CLFYSBASSA-N 0 0 361.419 2.603 20 10 FFCDRN COc1ccc(N2CCN(CCS(=O)(=O)C3CCCCC3)CC2)cc1 ZINC000856717920 730349486 /nfs/dbraw/zinc/34/94/86/730349486.db2.gz KRRRJRLLPIKYTJ-UHFFFAOYSA-N 0 0 366.527 2.565 20 10 FFCDRN C[C@@H](NC(=O)NCC[C@@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000856826368 730360665 /nfs/dbraw/zinc/36/06/65/730360665.db2.gz JWZODDJUDFVSDV-UKRRQHHQSA-N 0 0 353.413 2.929 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]([S@](C)=O)C2)c(C)n1-c1ccccn1 ZINC000857309090 730390576 /nfs/dbraw/zinc/39/05/76/730390576.db2.gz OXOXXIKJRWGYGZ-RKPUJPDHSA-N 0 0 359.495 2.909 20 10 FFCDRN O=C(CCCc1nccs1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000857439383 730397508 /nfs/dbraw/zinc/39/75/08/730397508.db2.gz KUICNADZJMQMFH-UHFFFAOYSA-N 0 0 363.458 2.758 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@H](CCF)C1 ZINC000858154619 730418062 /nfs/dbraw/zinc/41/80/62/730418062.db2.gz NETKAPLDCBZMAA-QGZVFWFLSA-N 0 0 367.490 2.510 20 10 FFCDRN COc1ccc(CNCc2c(O)cccc2Br)c(OC)n1 ZINC000858166256 730418451 /nfs/dbraw/zinc/41/84/51/730418451.db2.gz FCCNNQGLMHYYQF-UHFFFAOYSA-N 0 0 353.216 2.857 20 10 FFCDRN CCSc1ccc(CC(=O)OCC(=O)C(C)=O)c(Br)c1 ZINC000859821999 730466674 /nfs/dbraw/zinc/46/66/74/730466674.db2.gz CGTMUMFJWSTVCX-UHFFFAOYSA-N 0 0 359.241 2.805 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC[C@H](C)[S@@](C)=O ZINC000860202970 730487087 /nfs/dbraw/zinc/48/70/87/730487087.db2.gz UBWARNQWMBWECX-HWRSSNJWSA-N 0 0 360.479 2.794 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(CCO)CC(F)F ZINC000861458736 730614881 /nfs/dbraw/zinc/61/48/81/730614881.db2.gz UYUNDLCXNSEFEX-UHFFFAOYSA-N 0 0 350.365 2.606 20 10 FFCDRN CN(CC(=O)NCc1cccs1)Cc1c(O)cccc1Br ZINC000862244450 730681061 /nfs/dbraw/zinc/68/10/61/730681061.db2.gz BAULPKPXVKSCRT-UHFFFAOYSA-N 0 0 369.284 2.964 20 10 FFCDRN CS(=O)(=O)C[C@H]1CCCCN1Cc1c(O)cccc1Br ZINC000862387243 730695514 /nfs/dbraw/zinc/69/55/14/730695514.db2.gz IQTBQICYZUTNMA-LLVKDONJSA-N 0 0 362.289 2.554 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000862991088 730740085 /nfs/dbraw/zinc/74/00/85/730740085.db2.gz BQGNKWNJPABYPI-NVXWUHKLSA-N 0 0 360.479 2.708 20 10 FFCDRN Cc1nn(C)c(=O)c(-c2nc(CN(C)c3ccc(N)cc3)cs2)c1C ZINC000863558467 730790558 /nfs/dbraw/zinc/79/05/58/730790558.db2.gz JSMGWRZEAFFNBR-UHFFFAOYSA-N 0 0 355.467 2.739 20 10 FFCDRN Cc1[nH]nc(C(F)(F)F)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000648803278 730833586 /nfs/dbraw/zinc/83/35/86/730833586.db2.gz JJCBPQKEVCZZKB-UHFFFAOYSA-N 0 0 354.332 2.842 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)OCCC(F)(F)F ZINC000866542230 731072447 /nfs/dbraw/zinc/07/24/47/731072447.db2.gz GOSVUENBNUVZLK-UHFFFAOYSA-N 0 0 350.312 2.841 20 10 FFCDRN C[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000866572253 731075497 /nfs/dbraw/zinc/07/54/97/731075497.db2.gz MNWJABLLVRBXIP-MRVPVSSYSA-N 0 0 355.287 2.664 20 10 FFCDRN CN(Cc1c(F)cccc1Cl)S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC000867691190 731213914 /nfs/dbraw/zinc/21/39/14/731213914.db2.gz YOHBFPLZNLVKSG-UHFFFAOYSA-N 0 0 370.833 2.877 20 10 FFCDRN C[C@H](OCc1ccncc1)C(=O)NCc1cc(Br)ccc1O ZINC000868307303 731279896 /nfs/dbraw/zinc/27/98/96/731279896.db2.gz XAVWVPJSFNBTGX-NSHDSACASA-N 0 0 365.227 2.771 20 10 FFCDRN CCC(O)(CC)CN(C)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000875102652 732128328 /nfs/dbraw/zinc/12/83/28/732128328.db2.gz PUBXFNMRPULJGG-UHFFFAOYSA-N 0 0 365.543 2.932 20 10 FFCDRN O=C(N[C@H]1CCN(c2ncccc2Cl)C1)N1Cc2cccc(O)c2C1 ZINC000875372118 732149096 /nfs/dbraw/zinc/14/90/96/732149096.db2.gz UOHSCIGWMKFKNG-ZDUSSCGKSA-N 0 0 358.829 2.745 20 10 FFCDRN Cn1cc(C(F)F)c(CNC(=O)NCCCSc2nccs2)n1 ZINC000875375242 732149477 /nfs/dbraw/zinc/14/94/77/732149477.db2.gz YRAYMQQUHVMICN-UHFFFAOYSA-N 0 0 361.443 2.796 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1 ZINC000875930298 732200316 /nfs/dbraw/zinc/20/03/16/732200316.db2.gz NJZBTBYKUKSTNI-UHFFFAOYSA-N 0 0 350.488 2.693 20 10 FFCDRN O=C(NCC(F)(F)F)C1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1 ZINC000876611461 732261388 /nfs/dbraw/zinc/26/13/88/732261388.db2.gz FZGLWEUMQZJFLH-UHFFFAOYSA-N 0 0 352.303 2.561 20 10 FFCDRN Cc1ccc(C(=O)NCCOc2cccc(C(F)(F)F)n2)c(O)c1O ZINC000780998304 738592886 /nfs/dbraw/zinc/59/28/86/738592886.db2.gz KMXZGDHDSKAWGB-UHFFFAOYSA-N 0 0 356.300 2.629 20 10 FFCDRN CC(C)(C)OC(=O)CN1CCC([NH2+]Cc2ccc(F)c(F)c2[O-])CC1 ZINC000877720333 732419207 /nfs/dbraw/zinc/41/92/07/732419207.db2.gz MBDAODWAYNNJBF-UHFFFAOYSA-N 0 0 356.413 2.566 20 10 FFCDRN COc1c([O-])c(C[NH2+]CCOC(F)(F)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000877806671 732437538 /nfs/dbraw/zinc/43/75/38/732437538.db2.gz LLWUDTGBMORAIR-UHFFFAOYSA-N 0 0 360.235 2.570 20 10 FFCDRN COC(=O)CN(Cc1nc(CC2CC2)no1)Cc1cc(Cl)ccc1O ZINC000878242069 732502704 /nfs/dbraw/zinc/50/27/04/732502704.db2.gz FXTWRAZNWQHFCD-UHFFFAOYSA-N 0 0 365.817 2.556 20 10 FFCDRN COc1cc([C@@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)on1 ZINC000926558857 738630070 /nfs/dbraw/zinc/63/00/70/738630070.db2.gz JZIYOJAGDTVEJZ-LLVKDONJSA-N 0 0 353.369 2.649 20 10 FFCDRN Cc1cc(Br)c(O)c(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1 ZINC000781907061 738670931 /nfs/dbraw/zinc/67/09/31/738670931.db2.gz CUDYAWFRZJHRDZ-GHMZBOCLSA-N 0 0 364.305 2.717 20 10 FFCDRN COCCOC[C@@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781908368 738670963 /nfs/dbraw/zinc/67/09/63/738670963.db2.gz MEIYQMJSQMUMIE-CYBMUJFWSA-N 0 0 358.276 2.948 20 10 FFCDRN CC[C@@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)ccc1O ZINC000926947396 738671830 /nfs/dbraw/zinc/67/18/30/738671830.db2.gz JODPDOAIWPOWJN-AEKOTVAKSA-N 0 0 356.260 2.999 20 10 FFCDRN C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000926976763 738677122 /nfs/dbraw/zinc/67/71/22/738677122.db2.gz AXXGZIFMVJYFKA-BDAKNGLRSA-N 0 0 361.667 2.985 20 10 FFCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000882905610 733309751 /nfs/dbraw/zinc/30/97/51/733309751.db2.gz MHHLEEQSBVFHCN-LLVKDONJSA-N 0 0 370.421 2.772 20 10 FFCDRN O=S1(=O)CCCN1c1cc(NCc2cc(F)cc(F)c2O)ccc1F ZINC000883077241 733328882 /nfs/dbraw/zinc/32/88/82/733328882.db2.gz DCRGTCARTNSYRU-UHFFFAOYSA-N 0 0 372.368 2.962 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H]1CCO[C@]2(CCOC2)C1 ZINC000883082078 733329283 /nfs/dbraw/zinc/32/92/83/733329283.db2.gz VZCZIZVWAYEMFB-SWLSCSKDSA-N 0 0 360.223 2.722 20 10 FFCDRN Cn1ncc(CCC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])n1 ZINC000883130398 733339485 /nfs/dbraw/zinc/33/94/85/733339485.db2.gz CPWVIFYQVQGDRQ-UHFFFAOYSA-N 0 0 359.655 2.659 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000883146440 733342437 /nfs/dbraw/zinc/34/24/37/733342437.db2.gz NDKJNXQUYDEYSQ-NOZJJQNGSA-N 0 0 364.667 2.685 20 10 FFCDRN CO[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCOC1 ZINC000883164361 733344948 /nfs/dbraw/zinc/34/49/48/733344948.db2.gz CJQPTWPBYYMVEW-NOZJJQNGSA-N 0 0 364.667 2.949 20 10 FFCDRN CSc1nnc(CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)s1 ZINC000782612371 738738355 /nfs/dbraw/zinc/73/83/55/738738355.db2.gz AOLRBODHXHCDKS-SNVBAGLBSA-N 0 0 351.501 2.886 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2nnc(SC)s2)c1 ZINC000782652113 738743680 /nfs/dbraw/zinc/74/36/80/738743680.db2.gz FJFHIHWTVFQBGJ-QMMMGPOBSA-N 0 0 354.457 2.535 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNCc3ncc(Cl)s3)cc2)CC1 ZINC000886324852 733773827 /nfs/dbraw/zinc/77/38/27/733773827.db2.gz JTZOQLDTEOGHHH-UHFFFAOYSA-N 0 0 364.902 2.788 20 10 FFCDRN C[C@H]([NH2+][C@H](CO)C[C@@H]1CCCO1)c1cc(Br)cc(F)c1[O-] ZINC000886669705 733814926 /nfs/dbraw/zinc/81/49/26/733814926.db2.gz CKLXNBMXFFQGSE-DLOVCJGASA-N 0 0 362.239 2.874 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3C[C@@H]4CSC[C@@H]4C3)CC2)cc1 ZINC000888071521 734010395 /nfs/dbraw/zinc/01/03/95/734010395.db2.gz OZORGTAIMDPOLG-GASCZTMLSA-N 0 0 361.511 2.668 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1nn2c(c1Br)CCC2 ZINC000890763568 734337124 /nfs/dbraw/zinc/33/71/24/734337124.db2.gz YJIFTPWMDVUFDP-UHFFFAOYSA-N 0 0 370.634 2.881 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1CCOC(C)(C)C1 ZINC000725724078 734388378 /nfs/dbraw/zinc/38/83/78/734388378.db2.gz HWAHIAIJBRSKBG-UHFFFAOYSA-N 0 0 361.511 2.996 20 10 FFCDRN Cc1ncsc1CCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891250091 734404669 /nfs/dbraw/zinc/40/46/69/734404669.db2.gz UPAXPGYQLSGLQW-KRWDZBQOSA-N 0 0 360.527 2.869 20 10 FFCDRN COc1cccc(CNC(=O)CNc2cc(Cl)ccc2OC)c1O ZINC000729858933 734599877 /nfs/dbraw/zinc/59/98/77/734599877.db2.gz HDSRMJZLVXWOBF-UHFFFAOYSA-N 0 0 350.802 2.791 20 10 FFCDRN CCCCc1ccc([C@@H](NC=C2C(=O)NC(=S)NC2=O)C(C)C)cc1 ZINC000730985865 734660643 /nfs/dbraw/zinc/66/06/43/734660643.db2.gz ZCHYJCLOEDPCMQ-INIZCTEOSA-N 0 0 359.495 2.731 20 10 FFCDRN O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)C1=CC(=O)CS1 ZINC000731865901 734701720 /nfs/dbraw/zinc/70/17/20/734701720.db2.gz APXFAIPLZYHALN-UHFFFAOYSA-N 0 0 366.464 2.881 20 10 FFCDRN O=[N+]([O-])c1cc(S(=O)(=O)C(F)F)ccc1NCc1ccccc1O ZINC000732008545 734711736 /nfs/dbraw/zinc/71/17/36/734711736.db2.gz CAIHRTNCRGOKQU-UHFFFAOYSA-N 0 0 358.322 2.909 20 10 FFCDRN CCOc1ccc(C[C@@H](CNC(=O)C2=CC(=O)CS2)C(=O)OC)cc1 ZINC000732277479 734729603 /nfs/dbraw/zinc/72/96/03/734729603.db2.gz JEGUOXDYSFTVJW-ZDUSSCGKSA-N 0 0 363.435 2.614 20 10 FFCDRN C[S@](=O)Cc1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000733973403 734864996 /nfs/dbraw/zinc/86/49/96/734864996.db2.gz ICOWRLOFFANGSK-QFIPXVFZSA-N 0 0 354.522 2.934 20 10 FFCDRN CC(=O)N/C(=C\c1ccccc1)C(=O)NCCCSc1nccs1 ZINC000733973181 734865027 /nfs/dbraw/zinc/86/50/27/734865027.db2.gz WIAHKYCEEHHHGG-QINSGFPZSA-N 0 0 361.492 2.919 20 10 FFCDRN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCCCSc1nccs1 ZINC000733973046 734865058 /nfs/dbraw/zinc/86/50/58/734865058.db2.gz QZBYEJCSZLQBPR-HNNXBMFYSA-N 0 0 361.492 2.719 20 10 FFCDRN O=C1C[C@]2(CC[N@@H+](Cc3cc(Cl)cc(Br)c3[O-])C2)CN1 ZINC000894591652 734883850 /nfs/dbraw/zinc/88/38/50/734883850.db2.gz FPFCJLXVMRPRQQ-CQSZACIVSA-N 0 0 359.651 2.520 20 10 FFCDRN CC1CCN(S(=O)(=O)c2cc(CO)ccc2N2CC3CC2(C)C3)CC1 ZINC000894658146 734896895 /nfs/dbraw/zinc/89/68/95/734896895.db2.gz QXNXAZFSGUUHAK-UHFFFAOYSA-N 0 0 364.511 2.588 20 10 FFCDRN O=C(N1C[C@@H]2C[N@H+](Cc3cc(F)cc(F)c3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000894899722 734933880 /nfs/dbraw/zinc/93/38/80/734933880.db2.gz ACNWBUXBZBJVKJ-KOLCDFICSA-N 0 0 364.314 2.513 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2nc3ccsc3s2)c1 ZINC000735522130 734949715 /nfs/dbraw/zinc/94/97/15/734949715.db2.gz VFGGTNPYCPFJHK-UHFFFAOYSA-N 0 0 369.449 2.687 20 10 FFCDRN COc1cc(C)cc(CNc2ccc(F)c(S(=O)(=O)N(C)C)c2)c1O ZINC000895097392 734963163 /nfs/dbraw/zinc/96/31/63/734963163.db2.gz NPCBHMSZZFBKAI-UHFFFAOYSA-N 0 0 368.430 2.711 20 10 FFCDRN CC(=O)Nc1ccc(Cl)c(C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000784223888 738870772 /nfs/dbraw/zinc/87/07/72/738870772.db2.gz WGBRXAKVEWISAW-UHFFFAOYSA-N 0 0 363.753 2.749 20 10 FFCDRN C[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)CC(F)F ZINC000895493658 735015484 /nfs/dbraw/zinc/01/54/84/735015484.db2.gz VFSSAKRDAGVLCC-XJKSGUPXSA-N 0 0 356.461 2.946 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCO[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 ZINC000739897434 735061482 /nfs/dbraw/zinc/06/14/82/735061482.db2.gz IOAUPSSVTBFRGI-LQPUYASZSA-N 0 0 360.288 2.549 20 10 FFCDRN Nc1nc(NCc2c(O)cccc2F)nc(C(F)(F)C(F)(F)F)n1 ZINC000895832854 735061688 /nfs/dbraw/zinc/06/16/88/735061688.db2.gz OLBFYMDVNLFDCU-UHFFFAOYSA-N 0 0 353.226 2.565 20 10 FFCDRN COc1ccc(CNCc2ncc(Br)s2)c(O)c1OC ZINC000895860592 735065748 /nfs/dbraw/zinc/06/57/48/735065748.db2.gz CVPCBXWQRHLUJO-UHFFFAOYSA-N 0 0 359.245 2.918 20 10 FFCDRN CCOC(=O)[C@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)CCO1 ZINC000741227787 735126357 /nfs/dbraw/zinc/12/63/57/735126357.db2.gz DSWLHIRDRZNRNS-OAHLLOKOSA-N 0 0 362.451 2.560 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)ccc1[N+](=O)[O-] ZINC000896281219 735131786 /nfs/dbraw/zinc/13/17/86/735131786.db2.gz UIHUBZQJDMVXLF-KOLCDFICSA-N 0 0 350.293 2.509 20 10 FFCDRN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896377473 735148669 /nfs/dbraw/zinc/14/86/69/735148669.db2.gz LDXVRLRRVKYOBN-CMPLNLGQSA-N 0 0 362.451 2.689 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC([C@H]3COC(=O)N3)CC2)c1 ZINC000897022129 735192273 /nfs/dbraw/zinc/19/22/73/735192273.db2.gz DHIJKHWFKAUHST-CQSZACIVSA-N 0 0 369.259 2.784 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)c3cc(F)c(F)c(F)c3)ccc21 ZINC000742285825 735219729 /nfs/dbraw/zinc/21/97/29/735219729.db2.gz LAAWLCRQZSAXOV-UHFFFAOYSA-N 0 0 370.396 2.965 20 10 FFCDRN C/C(=C\C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)(C)C ZINC000742561871 735242776 /nfs/dbraw/zinc/24/27/76/735242776.db2.gz YLJQUKSVFDMYMJ-FYWRMAATSA-N 0 0 364.511 2.530 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H](CC(=O)NCc1c(O)cccc1F)C1CC1 ZINC000928707355 738897617 /nfs/dbraw/zinc/89/76/17/738897617.db2.gz CZTZXBWOQMAENA-AWEZNQCLSA-N 0 0 352.406 2.841 20 10 FFCDRN C[C@H](Cc1cccnc1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000900148186 735606071 /nfs/dbraw/zinc/60/60/71/735606071.db2.gz FCIIWAVCFUINNS-GFCCVEGCSA-N 0 0 359.813 2.836 20 10 FFCDRN Cc1cc(C(=O)NCc2cn[nH]n2)c(C)n1-c1cccc(Br)c1 ZINC000748006123 735608170 /nfs/dbraw/zinc/60/81/70/735608170.db2.gz DHLSGJSVCAYVMT-UHFFFAOYSA-N 0 0 374.242 2.905 20 10 FFCDRN O=C(NCc1ccccc1O)c1cn(-c2ccccc2Br)nn1 ZINC000748345061 735636722 /nfs/dbraw/zinc/63/67/22/735636722.db2.gz GONLKFPHFSBLBC-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2c[nH]c(=O)cc2C(F)(F)F)cc1F ZINC000900434300 735647178 /nfs/dbraw/zinc/64/71/78/735647178.db2.gz JZNQTGFULMAAQN-UHFFFAOYSA-N 0 0 357.307 2.941 20 10 FFCDRN O=C1OCCN1CCN(Cc1cccs1)c1ccc2c(c1)OCCO2 ZINC000749167626 735700016 /nfs/dbraw/zinc/70/00/16/735700016.db2.gz UZHYDJBVZBLSHV-UHFFFAOYSA-N 0 0 360.435 2.978 20 10 FFCDRN CN(CCCCNC(=O)C1=CC(=O)CS1)C(=O)C1=CC(=O)CS1 ZINC000749292522 735711131 /nfs/dbraw/zinc/71/11/31/735711131.db2.gz RDVSBPBNAJVGBG-UHFFFAOYSA-N 0 0 354.453 2.503 20 10 FFCDRN O=C(CC(F)(F)C(F)F)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000900902095 735714407 /nfs/dbraw/zinc/71/44/07/735714407.db2.gz RKTYZHOSHPINBS-UHFFFAOYSA-N 0 0 366.330 2.694 20 10 FFCDRN CCOc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1 ZINC000749731594 735743253 /nfs/dbraw/zinc/74/32/53/735743253.db2.gz VIOTUBSYOBDZNC-UHFFFAOYSA-N 0 0 365.480 2.779 20 10 FFCDRN CC(C)CONC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000749789627 735748628 /nfs/dbraw/zinc/74/86/28/735748628.db2.gz YWHXCGQPRCPEFS-OKILXGFUSA-N 0 0 353.438 2.826 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCc3ccccc3[C@H]2C(N)=O)c1O ZINC000750045838 735768336 /nfs/dbraw/zinc/76/83/36/735768336.db2.gz YMBFVRVQNJITLS-KRWDZBQOSA-N 0 0 358.825 2.833 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCN(C(=O)OCC(C)C)CC2)c1O ZINC000750822881 735817946 /nfs/dbraw/zinc/81/79/46/735817946.db2.gz LOPCGRUVULWJDL-UHFFFAOYSA-N 0 0 352.406 2.644 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCC(=O)OCc1ccc(Cl)cc1 ZINC000753339668 736057346 /nfs/dbraw/zinc/05/73/46/736057346.db2.gz QGGHPJXCBQFXDJ-YWEYNIOJSA-N 0 0 361.781 2.624 20 10 FFCDRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(F)c1 ZINC000790876374 739507696 /nfs/dbraw/zinc/50/76/96/739507696.db2.gz XNRIFPKDZOHOMS-LBPRGKRZSA-N 0 0 352.431 2.940 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1c([O-])cccc1F ZINC000903435050 736094584 /nfs/dbraw/zinc/09/45/84/736094584.db2.gz BRVTUNXASOEDPL-VHSXEESVSA-N 0 0 352.797 2.610 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)CCC(C)(C)C)CC2)cc1F ZINC000754040302 736118795 /nfs/dbraw/zinc/11/87/95/736118795.db2.gz NRHIAOFZRAGJAS-UHFFFAOYSA-N 0 0 358.479 2.722 20 10 FFCDRN CN(C)c1ccc(S(=O)(=O)NCCCSc2nccs2)cc1 ZINC000755107960 736233415 /nfs/dbraw/zinc/23/34/15/736233415.db2.gz RBSAERHXKOZNEA-UHFFFAOYSA-N 0 0 357.526 2.670 20 10 FFCDRN CC(C)CSCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000756058788 736303202 /nfs/dbraw/zinc/30/32/02/736303202.db2.gz RZUOOISOQXDXAE-UHFFFAOYSA-N 0 0 351.516 2.712 20 10 FFCDRN COc1cc(Br)cc(CN2CCc3cc[nH]c(=O)c3C2)c1O ZINC000756140856 736310842 /nfs/dbraw/zinc/31/08/42/736310842.db2.gz 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CCNS(=O)(=O)CC[NH2+][C@@H](CC)c1ccc(Cl)c(Cl)c1[O-] ZINC000775521018 738098837 /nfs/dbraw/zinc/09/88/37/738098837.db2.gz NKMUMJSEUZWREK-NSHDSACASA-N 0 0 355.287 2.679 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)NC(C)(C)C)CC2)c1O ZINC000775720737 738117486 /nfs/dbraw/zinc/11/74/86/738117486.db2.gz BRAVMZLXRAXZCT-UHFFFAOYSA-N 0 0 367.877 2.874 20 10 FFCDRN COc1ccc(NC(=S)NNc2cccc(S(C)(=O)=O)c2)cc1F ZINC000776268264 738176280 /nfs/dbraw/zinc/17/62/80/738176280.db2.gz RLGIVQMSSKACIX-UHFFFAOYSA-N 0 0 369.443 2.551 20 10 FFCDRN COc1ccc(NC(=O)COC(=O)c2cccc(O)c2O)cc1Cl ZINC000776282750 738177900 /nfs/dbraw/zinc/17/79/00/738177900.db2.gz XFENBJTUMMDDOQ-UHFFFAOYSA-N 0 0 351.742 2.555 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CC(C)(C)CS(C)(=O)=O)c1 ZINC000922739473 738194368 /nfs/dbraw/zinc/19/43/68/738194368.db2.gz NJEHAWPJPWOXEU-UHFFFAOYSA-N 0 0 364.305 2.624 20 10 FFCDRN CC(C)(/C=C\Cl)NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000923338141 738273046 /nfs/dbraw/zinc/27/30/46/738273046.db2.gz 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COc1c(C(=O)NCCCSc2nccs2)cccc1[N+](=O)[O-] ZINC000793496396 739788825 /nfs/dbraw/zinc/78/88/25/739788825.db2.gz PEQNPFBIUXGLRK-UHFFFAOYSA-N 0 0 353.425 2.972 20 10 FFCDRN COc1cc(CN2CCC(CS(C)(=O)=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000793725238 739808282 /nfs/dbraw/zinc/80/82/82/739808282.db2.gz FLMUBDWCLRPZDL-UHFFFAOYSA-N 0 0 369.527 2.955 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccnn1[C@@H]1CCCOC1 ZINC000934660617 739820150 /nfs/dbraw/zinc/82/01/50/739820150.db2.gz CBQODQNISZVPAI-GFCCVEGCSA-N 0 0 350.806 2.915 20 10 FFCDRN COc1ccc(CNC(=O)CCc2c(C)nc(SC)nc2C)c(O)c1 ZINC000794383212 739885154 /nfs/dbraw/zinc/88/51/54/739885154.db2.gz JTXLTZJVFOZALZ-UHFFFAOYSA-N 0 0 361.467 2.779 20 10 FFCDRN CNC(=O)C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000795600486 740042997 /nfs/dbraw/zinc/04/29/97/740042997.db2.gz DSWAXTOBTIIIKG-CQSZACIVSA-N 0 0 363.801 2.921 20 10 FFCDRN C[C@@H](CNC(=O)OC(C)(C)C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000795828470 740068336 /nfs/dbraw/zinc/06/83/36/740068336.db2.gz 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COCc1ccccc1CS(=O)(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000805011622 740925748 /nfs/dbraw/zinc/92/57/48/740925748.db2.gz MKJIBUIKZAGTCA-ZDUSSCGKSA-N 0 0 365.451 2.728 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCC[C@H]1C1CCC1 ZINC000806276926 741049426 /nfs/dbraw/zinc/04/94/26/741049426.db2.gz NUADWAGPWMBTJB-ZDUSSCGKSA-N 0 0 353.513 2.533 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3ccc(C)nc3Cl)CC2)cc1 ZINC000806284303 741050108 /nfs/dbraw/zinc/05/01/08/741050108.db2.gz BMNKJBKAJUTISK-UHFFFAOYSA-N 0 0 359.857 2.943 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCC[C@@H](SC)C1 ZINC000807206086 741120152 /nfs/dbraw/zinc/12/01/52/741120152.db2.gz SHMYINBYSPWRJH-JKSUJKDBSA-N 0 0 364.511 2.921 20 10 FFCDRN CSCCCCNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000807261670 741123814 /nfs/dbraw/zinc/12/38/14/741123814.db2.gz FWECOCXRWAXYKP-UHFFFAOYSA-N 0 0 363.527 2.503 20 10 FFCDRN CC[C@H](CSC)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807674571 741147967 /nfs/dbraw/zinc/14/79/67/741147967.db2.gz 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CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)c1cccc(Cl)c1 ZINC000819761138 742429349 /nfs/dbraw/zinc/42/93/49/742429349.db2.gz NDULLYBIMZBBIT-UHFFFAOYSA-N 0 0 367.829 2.578 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)CCc2ccc(Cl)cc2)c1 ZINC000819874914 742437524 /nfs/dbraw/zinc/43/75/24/742437524.db2.gz ASRMAWUPAGVJHE-UHFFFAOYSA-N 0 0 355.843 2.716 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3nc(SC)ns3)C2)cc1 ZINC000821771414 742661025 /nfs/dbraw/zinc/66/10/25/742661025.db2.gz GLUFSIYSSQOODF-JTQLQIEISA-N 0 0 365.484 2.669 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3cnccc3Cl)C2)cc1 ZINC000822371170 742724277 /nfs/dbraw/zinc/72/42/77/742724277.db2.gz RZNBTZGNRGTIEU-CQSZACIVSA-N 0 0 359.857 2.929 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccnc(C)c3Cl)C2)cc1 ZINC000822460921 742737257 /nfs/dbraw/zinc/73/72/57/742737257.db2.gz SFOVJEHEUOYDOA-CYBMUJFWSA-N 0 0 360.845 2.874 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@]3(C)CCNC3=O)cc2Cl)C1 ZINC000822703321 742772223 /nfs/dbraw/zinc/77/22/23/742772223.db2.gz 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743490090 /nfs/dbraw/zinc/49/00/90/743490090.db2.gz AVDANHVAKUNSDJ-SFHVURJKSA-N 0 0 356.532 2.964 20 10 FFCDRN COc1ccc(CC(=O)NCCc2ccc(O)c(O)c2)c(Cl)c1OC ZINC000827085841 743502278 /nfs/dbraw/zinc/50/22/78/743502278.db2.gz ZMLRXECWGHQDPV-UHFFFAOYSA-N 0 0 365.813 2.670 20 10 FFCDRN CCOc1cccc(CN2CCn3ncc(Br)c3C2)c1O ZINC000827446775 743577953 /nfs/dbraw/zinc/57/79/53/743577953.db2.gz SQSUGGLOWVPBDT-UHFFFAOYSA-N 0 0 352.232 2.766 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000827475294 743584818 /nfs/dbraw/zinc/58/48/18/743584818.db2.gz WOHCCBHVAOYXNU-KGLIPLIRSA-N 0 0 367.540 2.923 20 10 FFCDRN COc1ccc(O)c(CN2CC(O)(c3ccc(Br)cc3)C2)c1 ZINC000827757907 744972324 /nfs/dbraw/zinc/97/23/24/744972324.db2.gz QBBMSYDHVVLTSC-UHFFFAOYSA-N 0 0 364.239 2.867 20 10 FFCDRN Cc1c(Br)cc(C(=O)N[C@H](C)c2ccccc2O)c(=O)n1C ZINC000827946270 745005832 /nfs/dbraw/zinc/00/58/32/745005832.db2.gz CCRADKGZSMUYOT-SECBINFHSA-N 0 0 365.227 2.653 20 10 FFCDRN C[C@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827973477 745009491 /nfs/dbraw/zinc/00/94/91/745009491.db2.gz QUXNUXDDXPTXDM-OLZOCXBDSA-N 0 0 365.426 2.819 20 10 FFCDRN CCn1cc(CN(C)C(=O)c2csc(Cc3ccc(N)cc3)n2)cn1 ZINC000829620876 745232676 /nfs/dbraw/zinc/23/26/76/745232676.db2.gz GCJJYQCQYAQUCC-UHFFFAOYSA-N 0 0 355.467 2.805 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)CCOCc2ccccc2)cc1F ZINC000830297786 745335428 /nfs/dbraw/zinc/33/54/28/745335428.db2.gz KZKJGQKMYUEYEO-UHFFFAOYSA-N 0 0 366.458 2.528 20 10 FFCDRN CC1(S(=O)(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000830352651 745342323 /nfs/dbraw/zinc/34/23/23/745342323.db2.gz PNSJLBZIBQSNRR-UHFFFAOYSA-N 0 0 360.426 2.729 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H](C)[C@H]1CCCO1 ZINC000831706898 745572827 /nfs/dbraw/zinc/57/28/27/745572827.db2.gz OUCSPCVFFQQXLC-BLLLJJGKSA-N 0 0 369.845 2.752 20 10 FFCDRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@@H](CNC(=O)C1=CC(=O)CS1)O2 ZINC000832097711 745635367 /nfs/dbraw/zinc/63/53/67/745635367.db2.gz 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746455019 /nfs/dbraw/zinc/45/50/19/746455019.db2.gz WYPVVDODMWCNQA-CYBMUJFWSA-N 0 0 362.813 2.905 20 10 FFCDRN Cc1cc(C(=O)COC(=O)C2CC(=O)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000837606457 746484992 /nfs/dbraw/zinc/48/49/92/746484992.db2.gz FEPXHPVXMITBTC-UHFFFAOYSA-N 0 0 360.797 2.848 20 10 FFCDRN O=C(CC1CC(F)(F)C1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837710537 746503966 /nfs/dbraw/zinc/50/39/66/746503966.db2.gz BCWOSADWLVCCRF-UHFFFAOYSA-N 0 0 360.351 2.853 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)N3CC[C@H](F)C3)cc2F)C[C@H](C)O1 ZINC000837712425 746504447 /nfs/dbraw/zinc/50/44/47/746504447.db2.gz CHGMMRVEASTWKU-YDHLFZDLSA-N 0 0 353.413 2.693 20 10 FFCDRN C[C@@H]1CCC[C@@H]1NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838317395 746617848 /nfs/dbraw/zinc/61/78/48/746617848.db2.gz QXESCQWLNQSEAP-WBMJQRKESA-N 0 0 353.413 2.789 20 10 FFCDRN CCC1(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC000838508429 746654327 /nfs/dbraw/zinc/65/43/27/746654327.db2.gz RUQYRUQDRSHFDD-UHFFFAOYSA-N 0 0 353.413 2.791 20 10 FFCDRN O=C(NCCCSc1nccs1)N1C[C@@]2(CCCO2)[C@@H]1C1CC1 ZINC000838516892 746656414 /nfs/dbraw/zinc/65/64/14/746656414.db2.gz SKGMILRLVRHYTI-BBRMVZONSA-N 0 0 353.513 2.978 20 10 FFCDRN C[C@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)N(C)Cc1ccccc1O ZINC000838652023 746685756 /nfs/dbraw/zinc/68/57/56/746685756.db2.gz IIOVNNAUBGLLDM-STQMWFEESA-N 0 0 351.447 2.835 20 10 FFCDRN Cc1csc(NC(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n1 ZINC000839634895 746876364 /nfs/dbraw/zinc/87/63/64/746876364.db2.gz UEUZYPAFRCXFKH-GFCCVEGCSA-N 0 0 360.483 2.512 20 10 FFCDRN CCS(=O)(=O)CCCNC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000839901171 746957808 /nfs/dbraw/zinc/95/78/08/746957808.db2.gz AOGBBOHPYUGSRP-UHFFFAOYSA-N 0 0 366.458 2.788 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@H]([C@H](C)O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000839929019 746962497 /nfs/dbraw/zinc/96/24/97/746962497.db2.gz VJXLEHUXSYXHGI-KSSFIOAISA-N 0 0 362.857 2.969 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H](O)C(C)C ZINC000840256983 747049980 /nfs/dbraw/zinc/04/99/80/747049980.db2.gz GEQFPQAOYNOBAZ-QZTJIDSGSA-N 0 0 365.543 2.835 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@H](C)c3csnn3)CC2)cc1 ZINC000840283290 747055626 /nfs/dbraw/zinc/05/56/26/747055626.db2.gz LCGCXJHDXPGEQH-GFCCVEGCSA-N 0 0 361.471 2.576 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCSC[C@@H]1CCO ZINC000840482172 747104477 /nfs/dbraw/zinc/10/44/77/747104477.db2.gz UKVZFTBBDFUCGY-YJBOKZPZSA-N 0 0 365.543 2.501 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCC[C@@H](O)C(F)(F)F ZINC000840485618 747105023 /nfs/dbraw/zinc/10/50/23/747105023.db2.gz VLLNKRXKCZXRGS-IUODEOHRSA-N 0 0 361.408 2.605 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCS(=O)(=O)C1CC1 ZINC000840522730 747114305 /nfs/dbraw/zinc/11/43/05/747114305.db2.gz DVWALYIQDLRTHU-UHFFFAOYSA-N 0 0 360.479 2.710 20 10 FFCDRN CCn1cc([C@H]2C[S@](=O)CCN2Cc2ccc(N(C)C)cc2C)cn1 ZINC000840941667 747236416 /nfs/dbraw/zinc/23/64/16/747236416.db2.gz HBAUPROJRBCPDD-KBMIEXCESA-N 0 0 360.527 2.583 20 10 FFCDRN CN(C)c1ccc([C@@H](N)C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000841043954 747259971 /nfs/dbraw/zinc/25/99/71/747259971.db2.gz RTFADWOERZXMKU-HNNXBMFYSA-N 0 0 364.833 2.809 20 10 FFCDRN CC(C)S(=O)(=O)c1ccccc1NC(=O)NCCc1ccc(N)cc1 ZINC000841115533 747271907 /nfs/dbraw/zinc/27/19/07/747271907.db2.gz NVCLUPJCKSQDTR-UHFFFAOYSA-N 0 0 361.467 2.815 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1cn2c(n1)CCC[C@H]2C)c1ccc(N(C)C)cc1 ZINC000841516719 747379644 /nfs/dbraw/zinc/37/96/44/747379644.db2.gz VAALWKHNFLGGQY-ZIAGYGMSSA-N 0 0 362.499 2.886 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1ccc(Cl)s1 ZINC000842056911 747511353 /nfs/dbraw/zinc/51/13/53/747511353.db2.gz DGEXKVLFTRQERQ-CYBMUJFWSA-N 0 0 365.886 2.910 20 10 FFCDRN CC[C@@H](C)[C@@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)OC ZINC000842249121 747556144 /nfs/dbraw/zinc/55/61/44/747556144.db2.gz DPHLHZHYKLGREO-IAQYHMDHSA-N 0 0 354.834 2.871 20 10 FFCDRN C[C@@H]1C[C@@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)[C@H](C)O1 ZINC000842263233 747559750 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C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1ccc2c(c1)OCCO2 ZINC000763283632 989515763 /nfs/dbraw/zinc/51/57/63/989515763.db2.gz LYECOZPCBJPTOC-CYBMUJFWSA-N 0 0 357.406 2.549 20 10 FFCDRN O=C(Nc1c2nonc2ccc1Cl)c1cn(CCc2ccccc2)nn1 ZINC001128603421 989546936 /nfs/dbraw/zinc/54/69/36/989546936.db2.gz IFZQMEPRICWWMC-UHFFFAOYSA-N 0 0 368.784 2.963 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2ccc(C(N)=O)cc2)cc1 ZINC000916529585 989815121 /nfs/dbraw/zinc/81/51/21/989815121.db2.gz BKXWHBMMUBYCEY-UHFFFAOYSA-N 0 0 368.481 2.973 20 10 FFCDRN NC(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)c([N+](=O)[O-])c1 ZINC000917083884 990121560 /nfs/dbraw/zinc/12/15/60/990121560.db2.gz GTNSQBHHVWQNNN-UHFFFAOYSA-N 0 0 372.450 2.859 20 10 FFCDRN Cc1cc(CCNC(=O)Cn2ccc([N+](=O)[O-])n2)c(C)n1-c1ccccc1 ZINC000917626799 990251912 /nfs/dbraw/zinc/25/19/12/990251912.db2.gz AXQPJSCOQFZNSC-UHFFFAOYSA-N 0 0 367.409 2.558 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](C)CN2CCCC2=O)cc1 ZINC000918098515 990335724 /nfs/dbraw/zinc/33/57/24/990335724.db2.gz AVOWIJVXQKMYIW-MRXNPFEDSA-N 0 0 360.502 2.685 20 10 FFCDRN CCC(=O)Nc1ccc(C)c(NC(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC000918444568 990395839 /nfs/dbraw/zinc/39/58/39/990395839.db2.gz SBJCVJXGZQDBIL-UHFFFAOYSA-N 0 0 369.421 2.646 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCC[C@H]2OCCc3ccccc32)c1 ZINC000918745586 990486733 /nfs/dbraw/zinc/48/67/33/990486733.db2.gz OPKJWXUHZGTZGR-LJQANCHMSA-N 0 0 356.422 2.904 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1ccc(N2CCOCC2)cc1 ZINC000154910186 990582881 /nfs/dbraw/zinc/58/28/81/990582881.db2.gz FGAGMYFUCAWHDP-UHFFFAOYSA-N 0 0 353.466 2.988 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1 ZINC000919839714 990740295 /nfs/dbraw/zinc/74/02/95/990740295.db2.gz HUYZJYOEPVCDNH-UHFFFAOYSA-N 0 0 359.430 2.686 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000919918508 990759350 /nfs/dbraw/zinc/75/93/50/990759350.db2.gz NHXJJJYELSHBGN-GDBMZVCRSA-N 0 0 369.387 2.829 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(NC2CC2)nc1 ZINC000919976935 990771841 /nfs/dbraw/zinc/77/18/41/990771841.db2.gz WSSSAEMBFBTGGI-UHFFFAOYSA-N 0 0 366.465 2.765 20 10 FFCDRN CC[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000920048798 990782982 /nfs/dbraw/zinc/78/29/82/990782982.db2.gz LEBWHUWNPAQSCZ-YQQAZPJKSA-N 0 0 360.502 2.622 20 10 FFCDRN C[C@H](NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc(N2CCOCC2)cc1 ZINC000920887108 990932245 /nfs/dbraw/zinc/93/22/45/990932245.db2.gz ACDPOZCPDRIQRD-AWEZNQCLSA-N 0 0 366.421 2.997 20 10 FFCDRN Cc1cc(O)c(CN2CCN(C(=O)COc3ccc(F)cc3)CC2)cc1C ZINC000921049254 990963136 /nfs/dbraw/zinc/96/31/36/990963136.db2.gz QYMJRACLHLHLML-UHFFFAOYSA-N 0 0 372.440 2.871 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC1([C@H]2CCCCO2)CC1 ZINC000923336835 991075283 /nfs/dbraw/zinc/07/52/83/991075283.db2.gz LXVBABKVOLYMLR-LJQANCHMSA-N 0 0 373.497 2.549 20 10 FFCDRN Cc1ccc(C(=O)Nc2ccccc2OCCn2ccnc2)c(O)c1O ZINC000179449123 991256508 /nfs/dbraw/zinc/25/65/08/991256508.db2.gz VMYGEGRZHLCADX-UHFFFAOYSA-N 0 0 353.378 2.934 20 10 FFCDRN COc1ccc(COC[C@H](O)C[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000879648111 1015623934 /nfs/dbraw/zinc/62/39/34/1015623934.db2.gz YULFIQBXWYZPNK-GDBMZVCRSA-N 0 0 361.438 2.638 20 10 FFCDRN C[C@H](NC(=O)NCCCCn1ccnc1)c1ccc(N2CCOCC2)cc1 ZINC000068549117 991467316 /nfs/dbraw/zinc/46/73/16/991467316.db2.gz ZVDZWGIZKBVZBE-KRWDZBQOSA-N 0 0 371.485 2.560 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Nc3csc(C(N)=O)c3)CC2)cc1 ZINC000879738639 1015660172 /nfs/dbraw/zinc/66/01/72/1015660172.db2.gz HBXZWWBRHJAFGQ-UHFFFAOYSA-N 0 0 374.466 2.600 20 10 FFCDRN Cc1cncc([C@H]2CCCN2CC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000879749663 1015664412 /nfs/dbraw/zinc/66/44/12/1015664412.db2.gz HIEOTPARGOUNQK-HXUWFJFHSA-N 0 0 352.482 2.909 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnc2c(cnn2C)c1OC ZINC000182432704 992039381 /nfs/dbraw/zinc/03/93/81/992039381.db2.gz VLFHJSPCRSMXDF-UHFFFAOYSA-N 0 0 367.453 2.705 20 10 FFCDRN Cc1ccc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c(O)c1O ZINC000182591665 992181355 /nfs/dbraw/zinc/18/13/55/992181355.db2.gz RAYQHPAQQOZKMG-UHFFFAOYSA-N 0 0 350.374 2.869 20 10 FFCDRN CCC[C@@H]1C[C@H]1C(=O)NCCC1=CCN(c2cc(Cl)c(=O)[nH]n2)CC1 ZINC001089859884 992248910 /nfs/dbraw/zinc/24/89/10/992248910.db2.gz TZUODAUNROLMPR-ZIAGYGMSSA-N 0 0 364.877 2.915 20 10 FFCDRN Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H](C)C2 ZINC000183172416 992376608 /nfs/dbraw/zinc/37/66/08/992376608.db2.gz OPYCYUQSWANSCC-XIKOKIGWSA-N 0 0 374.462 2.735 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(N2CCCC2=O)ccc1F ZINC000183479304 992458763 /nfs/dbraw/zinc/45/87/63/992458763.db2.gz AJEBZHPTVORKMG-LBPRGKRZSA-N 0 0 372.396 2.725 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-c3ncn(C)n3)cc2)c1 ZINC000183654016 992506517 /nfs/dbraw/zinc/50/65/17/992506517.db2.gz UVINHQJJYQKRTA-LBPRGKRZSA-N 0 0 352.394 2.687 20 10 FFCDRN COc1cc(N2CCN(Cc3nccn3C(C)C)CC2)cc(OC)c1OC ZINC000183702079 992519100 /nfs/dbraw/zinc/51/91/00/992519100.db2.gz NWJCLGKOXHCICD-UHFFFAOYSA-N 0 0 374.485 2.812 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)N(C)CC2CCCCC2)cc1 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MGCOXDLAXXDYAA-UHFFFAOYSA-N 0 0 371.456 2.723 20 10 FFCDRN O=C(NCCCn1cccn1)N(Cc1ccco1)Cc1ccccc1O ZINC000101782933 1004915217 /nfs/dbraw/zinc/91/52/17/1004915217.db2.gz NHFCHAYBVMLUEL-UHFFFAOYSA-N 0 0 354.410 2.984 20 10 FFCDRN O=C(c1cccn(C2CCC2)c1=O)N1CCCc2cc(O)c(O)cc2C1 ZINC001199486059 1004957364 /nfs/dbraw/zinc/95/73/64/1004957364.db2.gz KFFPSKSXWWTRKZ-UHFFFAOYSA-N 0 0 354.406 2.573 20 10 FFCDRN O=C(CNC(=O)c1ccc(Cl)c(C(F)(F)F)n1)c1ccc(O)c(O)c1 ZINC001195670738 1005011143 /nfs/dbraw/zinc/01/11/43/1005011143.db2.gz KTBWBPYFLBLYEN-UHFFFAOYSA-N 0 0 374.702 2.778 20 10 FFCDRN COC(=O)c1cccnc1CNC(=S)Nc1ccc(-n2cccn2)cc1 ZINC001200893242 1005134441 /nfs/dbraw/zinc/13/44/41/1005134441.db2.gz AWFVFCYXRCYKPH-UHFFFAOYSA-N 0 0 367.434 2.541 20 10 FFCDRN COCCOc1ccc(N2CCN(C(=S)NC(C)(C)C)CC2)cc1 ZINC001200904457 1005147615 /nfs/dbraw/zinc/14/76/15/1005147615.db2.gz SCGFZYCUJRTHNA-UHFFFAOYSA-N 0 0 351.516 2.507 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)nc2ccccn2c1=O ZINC001201359447 1005201090 /nfs/dbraw/zinc/20/10/90/1005201090.db2.gz CZZMGBPMWKQRDR-UHFFFAOYSA-N 0 0 364.449 2.731 20 10 FFCDRN COC(=O)[C@@H]1CC12CCN(C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000776237159 1005305823 /nfs/dbraw/zinc/30/58/23/1005305823.db2.gz DNJOFVYAKXEYCS-YOEHRIQHSA-N 0 0 359.470 2.798 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1nnc2ccccn21)c1ccc(N(C)C)cc1 ZINC000776249411 1005318520 /nfs/dbraw/zinc/31/85/20/1005318520.db2.gz OKCTXMFKXSWOFQ-AWEZNQCLSA-N 0 0 352.442 2.698 20 10 FFCDRN C[C@H](NC(=O)Cc1nnc(-c2ccccc2)n1C)c1ccc(N(C)C)cc1 ZINC000776406886 1005551951 /nfs/dbraw/zinc/55/19/51/1005551951.db2.gz YUNSJBQOUYGHJP-HNNXBMFYSA-N 0 0 363.465 2.968 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N(C)C[C@@H]3CCCOC3)CC2)cc1 ZINC000107844401 1005552321 /nfs/dbraw/zinc/55/23/21/1005552321.db2.gz NYBUDAIUYDJBSM-INIZCTEOSA-N 0 0 361.486 2.732 20 10 FFCDRN Cc1cc(C(=O)CN(C)CC(=O)NC2CC2)c(C)n1-c1cccc(F)c1 ZINC000007247961 1005783868 /nfs/dbraw/zinc/78/38/68/1005783868.db2.gz GDODIWORTWAYDU-UHFFFAOYSA-N 0 0 357.429 2.626 20 10 FFCDRN COc1ccc(Cn2cc(C(=O)NCc3ccc(N(C)C)cc3)cn2)cc1 ZINC000109203155 1005802308 /nfs/dbraw/zinc/80/23/08/1005802308.db2.gz WVLGOAKCRFKGKX-UHFFFAOYSA-N 0 0 364.449 2.936 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(CNC(C)=O)cc2)c1 ZINC000850484524 1005818334 /nfs/dbraw/zinc/81/83/34/1005818334.db2.gz KNAGUYCPOSDWQU-ZDUSSCGKSA-N 0 0 356.422 2.666 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC(c3ccco3)CC2)cc1 ZINC000850601888 1005825045 /nfs/dbraw/zinc/82/50/45/1005825045.db2.gz LBMBWFMZEGZDIZ-UHFFFAOYSA-N 0 0 369.465 2.710 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NCc1ccccc1F ZINC000851905132 1005921565 /nfs/dbraw/zinc/92/15/65/1005921565.db2.gz AIRDHTGMRCBULB-UHFFFAOYSA-N 0 0 357.429 2.786 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3Cc4ccccc4O3)C2)cc1 ZINC000851953371 1005925954 /nfs/dbraw/zinc/92/59/54/1005925954.db2.gz FDCJLUHDLMNKEK-APWZRJJASA-N 0 0 367.449 2.577 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@H](CC(F)(F)F)C1 ZINC000852138166 1005944539 /nfs/dbraw/zinc/94/45/39/1005944539.db2.gz IEVKFSUHBLTRCY-MRXNPFEDSA-N 0 0 369.387 2.926 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@]12OCCC[C@H]1C2(F)F ZINC000852138033 1005944548 /nfs/dbraw/zinc/94/45/48/1005944548.db2.gz DWJYBPVGBPIPEN-AEFFLSMTSA-N 0 0 363.408 2.676 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCCc3ncccc3C)C2)cc1 ZINC000852369586 1005994401 /nfs/dbraw/zinc/99/44/01/1005994401.db2.gz XOAVYDSHHKACIV-INIZCTEOSA-N 0 0 354.454 2.519 20 10 FFCDRN CO[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)CC(C)C ZINC000852386047 1006001650 /nfs/dbraw/zinc/00/16/50/1006001650.db2.gz YILGZGQZNPTKKP-IBGZPJMESA-N 0 0 363.502 2.508 20 10 FFCDRN C[C@H](c1ccccc1)[C@H](NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000813719810 1006017972 /nfs/dbraw/zinc/01/79/72/1006017972.db2.gz PHYGQXJDKWGLGH-VCBZYWHSSA-N 0 0 368.481 2.770 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1cnc(C(F)(F)F)nc1 ZINC000852445435 1006027084 /nfs/dbraw/zinc/02/70/84/1006027084.db2.gz BXYSIPLDSDIBCJ-UHFFFAOYSA-N 0 0 367.375 2.869 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3[C@H]3CCCOC3)C2)cc1 ZINC000852447755 1006028201 /nfs/dbraw/zinc/02/82/01/1006028201.db2.gz DUTLCZNXBCGYRS-ABSDTBQOSA-N 0 0 373.497 2.875 20 10 FFCDRN CC[C@@H]1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C[C@H](CC)O1 ZINC000852447829 1006029181 /nfs/dbraw/zinc/02/91/81/1006029181.db2.gz FDWHPVZZKGMPSX-RYQLBKOJSA-N 0 0 361.486 2.873 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H](OC)C(C)(C)C3)C2)cc1 ZINC000852448183 1006029477 /nfs/dbraw/zinc/02/94/77/1006029477.db2.gz HKDMWAFIPRZIFF-QAPCUYQASA-N 0 0 361.486 2.730 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@@H](c4cccnc4)C3)C2)cc1 ZINC000852450127 1006031015 /nfs/dbraw/zinc/03/10/15/1006031015.db2.gz ZLQSIDNITSVDCR-QZTJIDSGSA-N 0 0 366.465 2.868 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCO[C@@H](c4ccco4)C3)C2)cc1 ZINC000852456023 1006036873 /nfs/dbraw/zinc/03/68/73/1006036873.db2.gz XNPJXYHKYTUHAV-DNVCBOLYSA-N 0 0 371.437 2.650 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3COC4(CCC4)C3)CC2)cc1 ZINC000852549275 1006077420 /nfs/dbraw/zinc/07/74/20/1006077420.db2.gz ZTGZIOYJKGLJPG-INIZCTEOSA-N 0 0 359.470 2.675 20 10 FFCDRN C[C@@]1(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1(F)F ZINC000852584096 1006091329 /nfs/dbraw/zinc/09/13/29/1006091329.db2.gz HWFKTKFAIDLVNG-GOSISDBHSA-N 0 0 367.440 2.882 20 10 FFCDRN CCOC(=O)[C@]1(C)CCC[C@@H]1NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000852692128 1006142750 /nfs/dbraw/zinc/14/27/50/1006142750.db2.gz OONWWQJKKJLNSY-QFBILLFUSA-N 0 0 365.449 2.813 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CC[C@@H](c3ncccn3)C2)c([N+](=O)[O-])c1 ZINC001187709139 1006208436 /nfs/dbraw/zinc/20/84/36/1006208436.db2.gz QAORNQZTNDTHQJ-KXQLTZBTSA-N 0 0 354.366 2.565 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1cc(C(F)F)nc2ncnn21 ZINC000881776343 1006213851 /nfs/dbraw/zinc/21/38/51/1006213851.db2.gz JQFILRZEBUGDLR-UHFFFAOYSA-N 0 0 374.395 2.535 20 10 FFCDRN C[C@@H](NC(=O)N1CC[C@H](O)C12CCCC2)c1ccc(N2CCOCC2)cc1 ZINC000814364494 1006256350 /nfs/dbraw/zinc/25/63/50/1006256350.db2.gz FAPHIQLGNBHVNQ-APWZRJJASA-N 0 0 373.497 2.673 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)N2CCc3c2cccc3Cl)c1 ZINC000129401325 1006286563 /nfs/dbraw/zinc/28/65/63/1006286563.db2.gz YYZGLRBYPXSSTI-NSHDSACASA-N 0 0 374.824 2.821 20 10 FFCDRN CCCCC[C@@H]1NC(=O)N(Cc2ccc(N3CCC(O)CC3)cc2)C1=O ZINC000853089201 1006291479 /nfs/dbraw/zinc/29/14/79/1006291479.db2.gz LYBSYIXCVZRTNP-SFHVURJKSA-N 0 0 359.470 2.648 20 10 FFCDRN CCN(CC)c1ccc(CNc2nc3cc(S(N)(=O)=O)ccc3[nH]2)cc1 ZINC000853192994 1006329336 /nfs/dbraw/zinc/32/93/36/1006329336.db2.gz NNEOJEHSXNNQMK-UHFFFAOYSA-N 0 0 373.482 2.669 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cccnc1 ZINC000853241627 1006347903 /nfs/dbraw/zinc/34/79/03/1006347903.db2.gz SBBSTFZUOKNFKF-OAHLLOKOSA-N 0 0 354.454 2.603 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C)Cc3cccc(O)c3)C2)cc1 ZINC000853472049 1006401952 /nfs/dbraw/zinc/40/19/52/1006401952.db2.gz KSJWLRHJQAHMAV-DOTOQJQBSA-N 0 0 369.465 2.910 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2C[C@]3(CCCO3)[C@@H]2C2CC2)c([N+](=O)[O-])c1 ZINC000814956504 1006480760 /nfs/dbraw/zinc/48/07/60/1006480760.db2.gz AYIXABJEDUPJRD-RLZXUFAOSA-N 0 0 358.394 2.929 20 10 FFCDRN Cc1cc(C)n(-c2ccccc2C(=O)NCC(=O)c2ccc(O)c(O)c2)n1 ZINC001188255524 1006486783 /nfs/dbraw/zinc/48/67/83/1006486783.db2.gz CCKSCNFDVCPVRK-UHFFFAOYSA-N 0 0 365.389 2.513 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N(C)CC3=CCCOC3)CC2)cc1 ZINC000853643406 1006491827 /nfs/dbraw/zinc/49/18/27/1006491827.db2.gz VDZPXSLIMUYRRH-UHFFFAOYSA-N 0 0 359.470 2.652 20 10 FFCDRN Cc1cc(CN[C@H](c2nc(-c3nc[nH]n3)no2)C(C)C)ccc1N(C)C ZINC000815090367 1006504057 /nfs/dbraw/zinc/50/40/57/1006504057.db2.gz KFNRAFVDNNMAEM-HNNXBMFYSA-N 0 0 355.446 2.716 20 10 FFCDRN CC(C)(CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)C1CC1 ZINC000815073810 1006508539 /nfs/dbraw/zinc/50/85/39/1006508539.db2.gz AVJWICQFQOALEP-INIZCTEOSA-N 0 0 357.498 2.831 20 10 FFCDRN COC(=O)c1cccc(NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000853818090 1006544941 /nfs/dbraw/zinc/54/49/41/1006544941.db2.gz SQJSHQATEPGZAV-INIZCTEOSA-N 0 0 369.421 2.882 20 10 FFCDRN C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCOc2cc(N(C)C)ccc21 ZINC000130444189 1006553833 /nfs/dbraw/zinc/55/38/33/1006553833.db2.gz COOHVOSIJICKSE-CYBMUJFWSA-N 0 0 370.409 2.887 20 10 FFCDRN CC(C)n1nccc1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000853863759 1006559740 /nfs/dbraw/zinc/55/97/40/1006559740.db2.gz XRVHWZRDUGGTBD-UHFFFAOYSA-N 0 0 357.458 2.747 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1nnc(C2CC2)s1 ZINC000853862464 1006559891 /nfs/dbraw/zinc/55/98/91/1006559891.db2.gz FPVJDBWHNVFACD-UHFFFAOYSA-N 0 0 373.482 2.698 20 10 FFCDRN OC1CCN(c2ccc(CNc3ccc4nnc(C(F)F)n4n3)cc2)CC1 ZINC000853955425 1006600355 /nfs/dbraw/zinc/60/03/55/1006600355.db2.gz NXFIECGISRSTNF-UHFFFAOYSA-N 0 0 374.395 2.635 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cc(F)cc(F)c1F ZINC000815499423 1006656394 /nfs/dbraw/zinc/65/63/94/1006656394.db2.gz BYRYSUXWTALDDI-UHFFFAOYSA-N 0 0 365.355 2.733 20 10 FFCDRN Cc1cc(CC(=O)NCCCN2CCCC2=O)c(C)n1-c1ccccc1 ZINC000854131777 1006696727 /nfs/dbraw/zinc/69/67/27/1006696727.db2.gz WJDNZSYLZPUBFZ-UHFFFAOYSA-N 0 0 353.466 2.765 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCC(=O)N(c3cccc(F)c3)C2)cc1 ZINC000854271555 1006751459 /nfs/dbraw/zinc/75/14/59/1006751459.db2.gz LFCWPRNGEGQXGR-INIZCTEOSA-N 0 0 369.440 2.951 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N(C)[C@@H]3C[C@H](OC)C34CCC4)C2)cc1 ZINC000854297841 1006763026 /nfs/dbraw/zinc/76/30/26/1006763026.db2.gz RZYBJOAKKNEUMQ-IPELMVKDSA-N 0 0 373.497 2.873 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCCCC[C@@H]3CCO)C2)cc1 ZINC000854298297 1006764238 /nfs/dbraw/zinc/76/42/38/1006764238.db2.gz ZTVLZQYOCOHWCE-SJLPKXTDSA-N 0 0 361.486 2.611 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCCC4(CCOCC4)C3)C2)cc1 ZINC000854300168 1006765416 /nfs/dbraw/zinc/76/54/16/1006765416.db2.gz VSEVTBDELKMMQQ-KRWDZBQOSA-N 0 0 373.497 2.876 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCC(C)(C)[C@H](O)C(C)C)C2)cc1 ZINC000854300552 1006765484 /nfs/dbraw/zinc/76/54/84/1006765484.db2.gz VRBVOBCFCAMJFH-CRAIPNDOSA-N 0 0 363.502 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2.505 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CC=C(C(=O)N2C[C@H](CO)Cc3ccccc32)C1 ZINC000861793595 1009559741 /nfs/dbraw/zinc/55/97/41/1009559741.db2.gz PETHYBFBELLDHG-RHSMWYFYSA-N 0 0 372.465 2.798 20 10 FFCDRN CC[C@H]1N(C(=O)/C=C/c2ccc(N(C)C)cc2)CCC[C@]12CCC(=O)N2 ZINC001180125458 1009569116 /nfs/dbraw/zinc/56/91/16/1009569116.db2.gz DOWSJSFKNYMXNU-GTAREEKVSA-N 0 0 355.482 2.816 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)[C@H]2CCC(=O)N(C)C2)c1 ZINC000861819611 1009570668 /nfs/dbraw/zinc/57/06/68/1009570668.db2.gz DJKBDUQONDWOLR-IBGZPJMESA-N 0 0 367.449 2.599 20 10 FFCDRN Nc1ccc(N(C(=O)C(=O)Nc2cnn(CCF)c2)C2CCCCC2)cc1 ZINC000861819553 1009571094 /nfs/dbraw/zinc/57/10/94/1009571094.db2.gz NJUIQNSPEHJFBO-UHFFFAOYSA-N 0 0 373.432 2.739 20 10 FFCDRN COC(=O)CN(Cc1ccccc1)C(=O)/C=C/c1ccc(N(C)C)cc1 ZINC001180126142 1009572072 /nfs/dbraw/zinc/57/20/72/1009572072.db2.gz GJZKKESGPMTVJE-SDNWHVSQSA-N 0 0 352.434 2.968 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000887767354 1009572591 /nfs/dbraw/zinc/57/25/91/1009572591.db2.gz IYOHKRFFGHIBNX-KRWDZBQOSA-N 0 0 371.403 2.743 20 10 FFCDRN COc1ccc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000773846656 1009610555 /nfs/dbraw/zinc/61/05/55/1009610555.db2.gz NCBVMLFOVDUGGS-CQSZACIVSA-N 0 0 355.438 2.886 20 10 FFCDRN COc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc(OC)c1 ZINC000773844718 1009613540 /nfs/dbraw/zinc/61/35/40/1009613540.db2.gz FOJPLCGIFCDBMW-ZDUSSCGKSA-N 0 0 371.437 2.586 20 10 FFCDRN Cc1cn2c(n1)C[C@H](C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)CC2 ZINC000862002722 1009656771 /nfs/dbraw/zinc/65/67/71/1009656771.db2.gz WFIXSBGONPEREO-CRAIPNDOSA-N 0 0 354.498 2.876 20 10 FFCDRN CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc3cccnc3c2O)CC1 ZINC000862026853 1009668892 /nfs/dbraw/zinc/66/88/92/1009668892.db2.gz ARJKQSGULNNGOX-UHFFFAOYSA-N 0 0 357.410 2.614 20 10 FFCDRN COC(=O)C1(C)CN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000862042450 1009677740 /nfs/dbraw/zinc/67/77/40/1009677740.db2.gz NYXCVPACISDUBE-UHFFFAOYSA-N 0 0 354.406 2.542 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCCc3ncnn3C)c2C)cc1 ZINC000862089392 1009694924 /nfs/dbraw/zinc/69/49/24/1009694924.db2.gz NSVKBPSVUJDITR-UHFFFAOYSA-N 0 0 367.453 2.594 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@H]2[C@@H](C)O)cc1 ZINC000862205489 1009744049 /nfs/dbraw/zinc/74/40/49/1009744049.db2.gz KNTLFMVYWKATGQ-OXQOHEQNSA-N 0 0 354.450 2.821 20 10 FFCDRN CCn1nncc1CNC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC000862362691 1009808882 /nfs/dbraw/zinc/80/88/82/1009808882.db2.gz JZXZKMPTJNYORA-UHFFFAOYSA-N 0 0 365.437 2.756 20 10 FFCDRN CCn1ncc(CNC(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)n1 ZINC000862386320 1009820502 /nfs/dbraw/zinc/82/05/02/1009820502.db2.gz OUFZSXKILWLGJZ-UHFFFAOYSA-N 0 0 353.426 2.644 20 10 FFCDRN O=C(/C=C/[C@@H]1CCOC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000826605074 1009823271 /nfs/dbraw/zinc/82/32/71/1009823271.db2.gz VAOSZPFESRLIJK-CXAXABNOSA-N 0 0 366.408 2.966 20 10 FFCDRN CCN(Cc1ccccc1)c1ccc(CN2CCO[C@@H](CC(N)=O)C2)cc1 ZINC000862535626 1009868439 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O=C(CCc1ccc(O)c(O)c1)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001182154263 1010403221 /nfs/dbraw/zinc/40/32/21/1010403221.db2.gz XKIGFOQOWDYFDV-UHFFFAOYSA-N 0 0 362.376 2.657 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3cn4c(C)csc4n3)CC2)cc1 ZINC000864470733 1010483610 /nfs/dbraw/zinc/48/36/10/1010483610.db2.gz ORPMXQCUKKXQTO-UHFFFAOYSA-N 0 0 370.478 2.604 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H](Cn2cc(COc3ccc(N)cc3)nn2)C1 ZINC000864627860 1010533775 /nfs/dbraw/zinc/53/37/75/1010533775.db2.gz MBDCGOPQXGXLQX-CQSZACIVSA-N 0 0 373.457 2.696 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(CO)on2)cc1 ZINC000864794762 1010580376 /nfs/dbraw/zinc/58/03/76/1010580376.db2.gz PVVNHZKRXUCOFT-UHFFFAOYSA-N 0 0 355.394 2.669 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cn3c(n2)C[C@@H](OC)CC3)cc1 ZINC000864926290 1010638555 /nfs/dbraw/zinc/63/85/55/1010638555.db2.gz DHCOKRXQWUQEEO-KRWDZBQOSA-N 0 0 356.470 2.621 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@@H](C)OCc3ccncc3)CC2)cc1 ZINC000864950211 1010649599 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FFCDRN c1cc(NCc2ccc(N3CCOCC3)cc2)ccc1CN1CCOCC1 ZINC000120705653 1010847346 /nfs/dbraw/zinc/84/73/46/1010847346.db2.gz NEOKMXWQEKFFKY-UHFFFAOYSA-N 0 0 367.493 2.968 20 10 FFCDRN CC(=O)c1cccc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)n1 ZINC000865714981 1010848554 /nfs/dbraw/zinc/84/85/54/1010848554.db2.gz GZUNQEWNDRTTBG-UHFFFAOYSA-N 0 0 352.438 2.565 20 10 FFCDRN CCOc1ccc(-n2c(C)cc(C(=O)CN3C[C@H]4[C@H](CO)[C@H]4C3)c2C)cc1 ZINC000794870988 1010870355 /nfs/dbraw/zinc/87/03/55/1010870355.db2.gz OQSYEQNPBRCFOA-AERCQKQUSA-N 0 0 368.477 2.846 20 10 FFCDRN CCOC1CC2(C[C@@H]2C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)C1 ZINC000865953298 1010894686 /nfs/dbraw/zinc/89/46/86/1010894686.db2.gz HCXFJOQFMXHFSW-SNCIUUNGSA-N 0 0 372.509 2.717 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1F ZINC000121689897 1011074124 /nfs/dbraw/zinc/07/41/24/1011074124.db2.gz QYQIWAGPEDYDMJ-UHFFFAOYSA-N 0 0 371.412 2.801 20 10 FFCDRN C[C@H](NC(=O)NCc1ccccc1CN1CCOCC1)c1ccccc1O ZINC000867977186 1011136898 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ZINC000194103543 1024744143 /nfs/dbraw/zinc/74/41/43/1024744143.db2.gz GGXAANNFLXEVJR-UHFFFAOYSA-N 0 0 362.433 2.903 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CNc3c(C)cccc3OC)CC2)cc1 ZINC000194559652 1024835821 /nfs/dbraw/zinc/83/58/21/1024835821.db2.gz JJKLKPINBKVCCG-UHFFFAOYSA-N 0 0 369.465 2.773 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CNC(=O)NC2CCCCC2)cc1 ZINC000194648914 1024873870 /nfs/dbraw/zinc/87/38/70/1024873870.db2.gz UIUJBRQCJRSRSV-UHFFFAOYSA-N 0 0 360.502 2.781 20 10 FFCDRN CNC(=O)Cn1cc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)cn1 ZINC000194708042 1024881643 /nfs/dbraw/zinc/88/16/43/1024881643.db2.gz KKOQYQZYLPRHAO-UHFFFAOYSA-N 0 0 365.437 2.597 20 10 FFCDRN COc1ccc(N2CCN([C@H](C)C(=O)NCc3ccccc3)CC2)cc1F ZINC000084865995 1025151209 /nfs/dbraw/zinc/15/12/09/1025151209.db2.gz DBOQEGQFKNSLFF-MRXNPFEDSA-N 0 0 371.456 2.661 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)cc2)CC1 ZINC000829669020 1033276236 /nfs/dbraw/zinc/27/62/36/1033276236.db2.gz RERLDKQLHYWQRD-YSIASYRMSA-N 0 0 369.509 2.831 20 10 FFCDRN COC(=O)c1cc(C)cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000837360620 1025745851 /nfs/dbraw/zinc/74/58/51/1025745851.db2.gz VKXGPGQXVYMIQI-UHFFFAOYSA-N 0 0 368.433 2.548 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)cc1 ZINC000837375551 1025756680 /nfs/dbraw/zinc/75/66/80/1025756680.db2.gz DBSVPPJVPHSGTQ-MTFMMBMASA-N 0 0 370.493 2.875 20 10 FFCDRN CCc1cc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)n[nH]1 ZINC000837420961 1025793292 /nfs/dbraw/zinc/79/32/92/1025793292.db2.gz WDVLMRBSNONXPY-UHFFFAOYSA-N 0 0 370.384 2.953 20 10 FFCDRN O=C(Cc1cccc(F)c1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837707129 1025973475 /nfs/dbraw/zinc/97/34/75/1025973475.db2.gz ZSLQDJPOJCALHT-UHFFFAOYSA-N 0 0 364.367 2.799 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1c(O)cccc1F ZINC000837710502 1025977413 /nfs/dbraw/zinc/97/74/13/1025977413.db2.gz RVRDYZKCZZZNKA-UHFFFAOYSA-N 0 0 366.339 2.576 20 10 FFCDRN C[C@@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccccn1 ZINC000837715206 1025980730 /nfs/dbraw/zinc/98/07/30/1025980730.db2.gz RTDMVBOIAMKBOU-CYBMUJFWSA-N 0 0 361.392 2.616 20 10 FFCDRN CC(C)C[C@@H]1C[C@H]1NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000837769141 1026010778 /nfs/dbraw/zinc/01/07/78/1026010778.db2.gz OAGGEOLFULIVMU-YQVWRLOYSA-N 0 0 372.513 2.622 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@](O)(CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000837777735 1026015355 /nfs/dbraw/zinc/01/53/55/1026015355.db2.gz FDUNKAKESNUMQA-OAQYLSRUSA-N 0 0 356.466 2.670 20 10 FFCDRN CO[C@H]1C[C@H](N(C)C(=O)NCc2ccc(N3CCOCC3)cc2)C12CCC2 ZINC000837816277 1026034610 /nfs/dbraw/zinc/03/46/10/1026034610.db2.gz FSKBJSRUINGUOX-OALUTQOASA-N 0 0 373.497 2.622 20 10 FFCDRN CC(=O)N(C)[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374244 1026070751 /nfs/dbraw/zinc/07/07/51/1026070751.db2.gz CPSOOWZFPVFWST-GFCCVEGCSA-N 0 0 361.667 2.861 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](CO)[C@H](O)C2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000837920507 1026113799 /nfs/dbraw/zinc/11/37/99/1026113799.db2.gz GDTQXXQRYHETSY-YLJYHZDGSA-N 0 0 356.466 2.643 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N[C@@H]([C@H](CO)C3CC3)C3CC3)ccc21 ZINC000838031683 1026175918 /nfs/dbraw/zinc/17/59/18/1026175918.db2.gz MVMBFKNLYINLAD-UYAOXDASSA-N 0 0 357.498 2.665 20 10 FFCDRN CN(C[C@H](O)Cc1ccccc1)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000838032496 1026177230 /nfs/dbraw/zinc/17/72/30/1026177230.db2.gz YNURTFSVIRKDSJ-HXUWFJFHSA-N 0 0 367.493 2.814 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3C[C@@]4(CCCO4)[C@H]3C3CC3)ccc21 ZINC000838032047 1026177495 /nfs/dbraw/zinc/17/74/95/1026177495.db2.gz VOGWMAGUNLNTOI-CTNGQTDRSA-N 0 0 355.482 2.922 20 10 FFCDRN CC(C)(C)OC(=O)NCC[C@@H](NC(=O)NCc1ccccc1O)C(F)F ZINC000838060347 1026187367 /nfs/dbraw/zinc/18/73/67/1026187367.db2.gz HWVNLZRZXALMPO-GFCCVEGCSA-N 0 0 373.400 2.740 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCCC[C@@H]2CO)CCCC1 ZINC001141477042 1026390652 /nfs/dbraw/zinc/39/06/52/1026390652.db2.gz WFRDMANTOKVPAA-OAHLLOKOSA-N 0 0 356.466 2.902 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC[C@@H]1C ZINC000838738424 1026487226 /nfs/dbraw/zinc/48/72/26/1026487226.db2.gz DFEKHETVTSMRSU-KBPBESRZSA-N 0 0 367.440 2.989 20 10 FFCDRN C[C@H](NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1ccn(C)n1 ZINC000838773870 1026502601 /nfs/dbraw/zinc/50/26/01/1026502601.db2.gz POEITFOEUZEWHG-HOCLYGCPSA-N 0 0 358.442 2.578 20 10 FFCDRN CCN(C)c1ccc(CN2CCN(c3ncccc3[N+](=O)[O-])CC2)cc1 ZINC000839032634 1026569211 /nfs/dbraw/zinc/56/92/11/1026569211.db2.gz RSCIWHOPOPZXPH-UHFFFAOYSA-N 0 0 355.442 2.768 20 10 FFCDRN CCc1ccc(CN(C)C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000839214265 1026622256 /nfs/dbraw/zinc/62/22/56/1026622256.db2.gz RLDCDUOPRSWQIJ-UHFFFAOYSA-N 0 0 367.493 2.932 20 10 FFCDRN C[C@H]1CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC[C@@H]1C ZINC000839236955 1026628478 /nfs/dbraw/zinc/62/84/78/1026628478.db2.gz ZJCGTOMDTGTOLX-HOTGVXAUSA-N 0 0 357.498 2.748 20 10 FFCDRN COc1cccc2c1N(CC(=O)NCc1ccc(N(C)C)cc1)CCC2 ZINC000839508637 1026708188 /nfs/dbraw/zinc/70/81/88/1026708188.db2.gz IYSBFVREFFVKAC-UHFFFAOYSA-N 0 0 353.466 2.830 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000839516293 1026709899 /nfs/dbraw/zinc/70/98/99/1026709899.db2.gz GYYKZMODBHBXTD-ZDUSSCGKSA-N 0 0 370.409 2.785 20 10 FFCDRN C[C@H](CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1cnn(C)c1 ZINC000839580794 1026745408 /nfs/dbraw/zinc/74/54/08/1026745408.db2.gz UOJFQPCTIKUXJY-HZPDHXFCSA-N 0 0 356.470 2.628 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](C(=O)N(C)C)C2)c(C)n1-c1ccccc1C ZINC000839826924 1026839249 /nfs/dbraw/zinc/83/92/49/1026839249.db2.gz PWASQKBKFCGCLZ-KRWDZBQOSA-N 0 0 353.466 2.953 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](O)[C@H](CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000839915477 1026864041 /nfs/dbraw/zinc/86/40/41/1026864041.db2.gz VBHJPDVAFAYHQO-PXNSSMCTSA-N 0 0 356.466 2.526 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccc(NC(N)=O)cc1 ZINC000839916342 1026864885 /nfs/dbraw/zinc/86/48/85/1026864885.db2.gz SDOVQYNXTRRDKZ-AWEZNQCLSA-N 0 0 354.454 2.913 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1ccc2c(c1)NC(=O)C2 ZINC000839920261 1026866026 /nfs/dbraw/zinc/86/60/26/1026866026.db2.gz OPHZGESQTXGFEM-OAHLLOKOSA-N 0 0 365.477 2.846 20 10 FFCDRN CNC(=O)c1cccc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000839919879 1026866777 /nfs/dbraw/zinc/86/67/77/1026866777.db2.gz WKDTVHYWWGFVPR-OAHLLOKOSA-N 0 0 353.466 2.782 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CCc2cnn(C)c2C1 ZINC000839922653 1026867569 /nfs/dbraw/zinc/86/75/69/1026867569.db2.gz XOUXXUALCVYJBY-WBVHZDCISA-N 0 0 354.498 2.647 20 10 FFCDRN Cc1nn(C)c(C)c1CCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840258134 1027022988 /nfs/dbraw/zinc/02/29/88/1027022988.db2.gz PWPPVURINIBOOW-OAHLLOKOSA-N 0 0 371.529 2.884 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCCn1ccnc1 ZINC000840265984 1027026135 /nfs/dbraw/zinc/02/61/35/1027026135.db2.gz CRZFTJXVYRFVSR-KRWDZBQOSA-N 0 0 357.502 2.968 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2C[C@H](O)C[C@@H]2c2ccccc2)cc1F ZINC000840279962 1027031165 /nfs/dbraw/zinc/03/11/65/1027031165.db2.gz CZPCERNLJNBMSD-VQIMIIECSA-N 0 0 357.429 2.909 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1cccc(N(C)C)n1 ZINC000840331750 1027050307 /nfs/dbraw/zinc/05/03/07/1027050307.db2.gz PWEBMPLJWKRAMV-INIZCTEOSA-N 0 0 369.513 2.952 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ncnn1C(C)(C)C ZINC000840370352 1027062595 /nfs/dbraw/zinc/06/25/95/1027062595.db2.gz XFYXINRGJBTQOI-HNNXBMFYSA-N 0 0 372.517 2.838 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1CCCC[C@H]1F ZINC000840388900 1027066670 /nfs/dbraw/zinc/06/66/70/1027066670.db2.gz IFIXHWUENZJSQO-CZUORRHYSA-N 0 0 371.403 2.881 20 10 FFCDRN COC(=O)/C=C/c1ccc(N(C)Cc2noc(C3CC3)n2)c([N+](=O)[O-])c1 ZINC000840389880 1027068051 /nfs/dbraw/zinc/06/80/51/1027068051.db2.gz WYYMJLKGOGNFEJ-XBXARRHUSA-N 0 0 358.354 2.678 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C)CC(=O)NC(C)(C)C ZINC000840488754 1027093147 /nfs/dbraw/zinc/09/31/47/1027093147.db2.gz NSGDFGYJBABJIA-OAHLLOKOSA-N 0 0 362.518 2.548 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@]2(O)CCOC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000840692188 1027207965 /nfs/dbraw/zinc/20/79/65/1027207965.db2.gz OHIVGXHRVIFIEW-NRFANRHFSA-N 0 0 371.433 2.588 20 10 FFCDRN COc1ccc(-n2nc(C(=O)NCc3cc(OC)ccc3O)cc2C)cc1 ZINC000092516066 1027353533 /nfs/dbraw/zinc/35/35/33/1027353533.db2.gz KQELLWJHCURIBN-UHFFFAOYSA-N 0 0 367.405 2.834 20 10 FFCDRN COC(=O)c1cnc(NCc2cc(Br)ccc2O)cc1OC ZINC001160011990 1027562087 /nfs/dbraw/zinc/56/20/87/1027562087.db2.gz ITVHYHZLMAYTRU-UHFFFAOYSA-N 0 0 367.199 2.957 20 10 FFCDRN COC(=O)c1nc(Cl)cnc1NCc1cc(Br)ccc1O ZINC001160019389 1027564206 /nfs/dbraw/zinc/56/42/06/1027564206.db2.gz GZCFGNFGUCMVMK-UHFFFAOYSA-N 0 0 372.606 2.997 20 10 FFCDRN Nc1ccc(CC(=O)N2CCC3(CC[C@@H](C(=O)NCC4CC4)C3)CC2)cc1 ZINC001160212416 1027637972 /nfs/dbraw/zinc/63/79/72/1027637972.db2.gz MMKSAWOTJJQTGZ-GOSISDBHSA-N 0 0 369.509 2.746 20 10 FFCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)c1c[nH]c2nccnc12 ZINC001153189544 1027795178 /nfs/dbraw/zinc/79/51/78/1027795178.db2.gz AVZLKFUCQDGEOY-KRIXBPQJSA-N 0 0 358.365 2.877 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1Cn1cnc2ccccc21 ZINC001153531372 1027919371 /nfs/dbraw/zinc/91/93/71/1027919371.db2.gz WRULVEWNHVBOAZ-HNNXBMFYSA-N 0 0 351.406 2.681 20 10 FFCDRN CN(C)c1cc(Br)cc(C(=O)NCc2cccc(O)c2O)c1 ZINC001153798291 1028000210 /nfs/dbraw/zinc/00/02/10/1028000210.db2.gz OMOAKQQIYGQLPF-UHFFFAOYSA-N 0 0 365.227 2.856 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1cc(-c2ccc3c(c2)CCO3)no1 ZINC001153884350 1028044907 /nfs/dbraw/zinc/04/49/07/1028044907.db2.gz CSJVEZQBUZWVJX-UHFFFAOYSA-N 0 0 352.346 2.618 20 10 FFCDRN COC(=O)c1cccc2[nH]c(NCc3ccc(N4CCOCC4)cc3)nc21 ZINC000795801068 1028137486 /nfs/dbraw/zinc/13/74/86/1028137486.db2.gz ICIYIYSCBMGKFG-UHFFFAOYSA-N 0 0 366.421 2.798 20 10 FFCDRN COCCOc1cc(C(=O)NCc2ccc(O)cc2O)nc2ccccc21 ZINC001162278987 1028489292 /nfs/dbraw/zinc/48/92/92/1028489292.db2.gz PULWYXHEOHZCCJ-UHFFFAOYSA-N 0 0 368.389 2.601 20 10 FFCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Nc1ccn(CCO)n1 ZINC001162460791 1028546611 /nfs/dbraw/zinc/54/66/11/1028546611.db2.gz OSMZQVVLQLFMNN-UHFFFAOYSA-N 0 0 352.350 2.758 20 10 FFCDRN Cc1cccc(NC(=O)NCC(=O)NCc2ccc3cccnc3c2O)c1 ZINC001162607242 1028594104 /nfs/dbraw/zinc/59/41/04/1028594104.db2.gz LMNKIKUTGHIQBU-UHFFFAOYSA-N 0 0 364.405 2.687 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)C(=O)c1cnn(-c2ccccc2)c1 ZINC001162607924 1028596150 /nfs/dbraw/zinc/59/61/50/1028596150.db2.gz ZKFYICUDHVGWBX-UHFFFAOYSA-N 0 0 372.384 2.625 20 10 FFCDRN O=C(NCCc1cc(O)c(O)cc1O)c1ccc(Cl)c2cnccc12 ZINC001155203441 1028624242 /nfs/dbraw/zinc/62/42/42/1028624242.db2.gz SQJJZTWVRDGXTJ-UHFFFAOYSA-N 0 0 358.781 2.978 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2oc1=O)N1CCCC2(CC(F)C2)CC1 ZINC001155226049 1028633798 /nfs/dbraw/zinc/63/37/98/1028633798.db2.gz PBESAXICXLNCPL-UHFFFAOYSA-N 0 0 361.369 2.949 20 10 FFCDRN Cc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3oc2=O)c(C)c1 ZINC001155232683 1028638004 /nfs/dbraw/zinc/63/80/04/1028638004.db2.gz UXYWWSWCOIYMLI-UHFFFAOYSA-N 0 0 353.374 2.794 20 10 FFCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H](CO)[C@H]1CCOC1 ZINC001163160030 1028827979 /nfs/dbraw/zinc/82/79/79/1028827979.db2.gz ODSKRTGTKZTADK-JKSUJKDBSA-N 0 0 370.405 2.883 20 10 FFCDRN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000780860632 1028836322 /nfs/dbraw/zinc/83/63/22/1028836322.db2.gz OAKMYACESHZQBW-GOSISDBHSA-N 0 0 370.449 2.518 20 10 FFCDRN COC(=O)N(C)CCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001163734444 1029045052 /nfs/dbraw/zinc/04/50/52/1029045052.db2.gz XELRBXDWHSFTSO-UHFFFAOYSA-N 0 0 357.366 2.936 20 10 FFCDRN C[NH+]1CCN(c2ccc(CNc3nc[n-]c4nc(=S)sc3-4)cc2)CC1 ZINC001156657219 1029290632 /nfs/dbraw/zinc/29/06/32/1029290632.db2.gz HWNVRKOYXPREHY-UHFFFAOYSA-N 0 0 372.523 2.739 20 10 FFCDRN CCCn1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000781608904 1029304040 /nfs/dbraw/zinc/30/40/40/1029304040.db2.gz PSBZKGSHGTTXJT-GJZGRUSLSA-N 0 0 374.460 2.976 20 10 FFCDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C(=O)NCc2c(O)cccc2O)C1 ZINC001156885853 1029389607 /nfs/dbraw/zinc/38/96/07/1029389607.db2.gz PLULZVVYUVIUSQ-OCCSQVGLSA-N 0 0 364.442 2.750 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1c(C(F)(F)F)nc2ccccn21 ZINC001156886228 1029392047 /nfs/dbraw/zinc/39/20/47/1029392047.db2.gz WICHCIUROFHMDO-UHFFFAOYSA-N 0 0 351.284 2.694 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1COc2ccc(OC)cc2C1 ZINC001157102173 1029467574 /nfs/dbraw/zinc/46/75/74/1029467574.db2.gz KANVFDLWHHQBAN-CQSZACIVSA-N 0 0 362.422 2.754 20 10 FFCDRN CCCNC(=O)NC(=O)CN(C)c1ccc(OCc2ccccc2)cc1 ZINC000781961058 1029495367 /nfs/dbraw/zinc/49/53/67/1029495367.db2.gz QUTXERRUWFWHMK-UHFFFAOYSA-N 0 0 355.438 2.938 20 10 FFCDRN NC(=O)c1ncc(Cl)nc1NCc1cc(Cl)c2cccnc2c1O ZINC001157724397 1029652013 /nfs/dbraw/zinc/65/20/13/1029652013.db2.gz OCISVSFILPNDBN-UHFFFAOYSA-N 0 0 364.192 2.748 20 10 FFCDRN Cc1cc(C(=O)COC(=O)Cc2ccn(C)n2)c(C)n1-c1cccc(F)c1 ZINC000782380650 1029679588 /nfs/dbraw/zinc/67/95/88/1029679588.db2.gz NGYMYKYCFLGZOZ-UHFFFAOYSA-N 0 0 369.396 2.935 20 10 FFCDRN Cc1cc(-n2c(C)cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)c2C)no1 ZINC000782521492 1029731313 /nfs/dbraw/zinc/73/13/13/1029731313.db2.gz MDRZKAYKGATYGD-UHFFFAOYSA-N 0 0 370.361 2.841 20 10 FFCDRN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N[C@@H](C)c1ccccc1O ZINC000827964364 1029732429 /nfs/dbraw/zinc/73/24/29/1029732429.db2.gz MARQUWRHCLKMSB-YWZLYKJASA-N 0 0 370.449 2.789 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(-c3ccn(C)n3)on2)cc1 ZINC001534245784 1069617971 /nfs/dbraw/zinc/61/79/71/1069617971.db2.gz HYDWDIHHMCLAEM-UHFFFAOYSA-N 0 0 353.426 2.851 20 10 FFCDRN Cc1cc(C(=O)OCc2nnc3n2CCCC3)c(C)n1-c1ccccn1 ZINC000782700987 1029789085 /nfs/dbraw/zinc/78/90/85/1029789085.db2.gz QGMAXPDKUQGRKG-UHFFFAOYSA-N 0 0 351.410 2.774 20 10 FFCDRN COc1c(N[C@H](C)c2ccc(N3CCOCC3)c(F)c2)cccc1C(N)=O ZINC000782782226 1029818396 /nfs/dbraw/zinc/81/83/96/1029818396.db2.gz CKJAIWDBYOXAFW-CYBMUJFWSA-N 0 0 373.428 2.943 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](CO)c2ccc(OC)cc2)c1 ZINC000840809744 1029886740 /nfs/dbraw/zinc/88/67/40/1029886740.db2.gz UCCOPOUEQWLLET-CZUORRHYSA-N 0 0 359.422 2.614 20 10 FFCDRN CCc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)c(F)c2)cn1 ZINC000840895790 1029910126 /nfs/dbraw/zinc/91/01/26/1029910126.db2.gz WPNJJGXVSMAYDP-UHFFFAOYSA-N 0 0 357.477 2.610 20 10 FFCDRN Cc1cc(N(C)C)ccc1CN1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000840916888 1029924597 /nfs/dbraw/zinc/92/45/97/1029924597.db2.gz ZQOXZFIJNQCEOA-UHFFFAOYSA-N 0 0 353.466 2.725 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000840931452 1029931628 /nfs/dbraw/zinc/93/16/28/1029931628.db2.gz WCWZLTYAWUNLAB-AWEZNQCLSA-N 0 0 364.449 2.659 20 10 FFCDRN COCCCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841021284 1029981563 /nfs/dbraw/zinc/98/15/63/1029981563.db2.gz TZHKSJGTMSZDEX-UHFFFAOYSA-N 0 0 355.438 2.663 20 10 FFCDRN CC(C)Cn1ncc2cc(C(=O)OCC(=O)c3ccc(O)c(O)c3)cnc21 ZINC000783324446 1030032120 /nfs/dbraw/zinc/03/21/20/1030032120.db2.gz XVJRLPNSRDPHOB-UHFFFAOYSA-N 0 0 369.377 2.538 20 10 FFCDRN CCO[C@@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(N)cc2)C12CCCCC2 ZINC000841110361 1030044547 /nfs/dbraw/zinc/04/45/47/1030044547.db2.gz UBYBTEMEZNFKIC-IAGOWNOFSA-N 0 0 359.470 2.794 20 10 FFCDRN COc1cc(NC(=O)C(=O)Nc2ccc(N)cc2)cc(OC)c1C(C)C ZINC000841112852 1030046605 /nfs/dbraw/zinc/04/66/05/1030046605.db2.gz CAAZWFQRLATDEL-UHFFFAOYSA-N 0 0 357.410 2.987 20 10 FFCDRN CCCN(C(=O)C(=O)Nc1ccc(N)cc1)[C@@H]1CCCc2cccnc21 ZINC000841112444 1030046698 /nfs/dbraw/zinc/04/66/98/1030046698.db2.gz MDHSCXHWIPFDKZ-QGZVFWFLSA-N 0 0 352.438 2.919 20 10 FFCDRN CC(C)c1nc([C@H]2CCCCCN2C(=O)C(=O)Nc2ccc(N)cc2)no1 ZINC000841113237 1030047957 /nfs/dbraw/zinc/04/79/57/1030047957.db2.gz COVMVUOBSOHUCR-OAHLLOKOSA-N 0 0 371.441 2.858 20 10 FFCDRN Cc1c(NC(=O)NCCc2ccc(N)cc2)cccc1N1CCOC1=O ZINC000841133288 1030064603 /nfs/dbraw/zinc/06/46/03/1030064603.db2.gz LVRMGWWDNRBSGA-UHFFFAOYSA-N 0 0 354.410 2.898 20 10 FFCDRN CC(C)(C)C(=O)c1ccc(NC(=O)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000841174818 1030091286 /nfs/dbraw/zinc/09/12/86/1030091286.db2.gz CKUJTUJNPMZPCN-UHFFFAOYSA-N 0 0 367.449 2.795 20 10 FFCDRN COC(=O)C[C@@](C)(NC(=O)Nc1ccc(N)cc1)c1cccc(OC)c1 ZINC000841298668 1030168112 /nfs/dbraw/zinc/16/81/12/1030168112.db2.gz CXXLXLPSCFNUFV-LJQANCHMSA-N 0 0 357.410 2.877 20 10 FFCDRN Nc1ccc(NC(=O)N2CCCN(C(=O)Cc3cccc(F)c3)CC2)cc1 ZINC000841299169 1030168297 /nfs/dbraw/zinc/16/82/97/1030168297.db2.gz GQWXJLUOKHFOEB-UHFFFAOYSA-N 0 0 370.428 2.717 20 10 FFCDRN Nc1ccc(NC(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)cc1 ZINC000841300136 1030168894 /nfs/dbraw/zinc/16/88/94/1030168894.db2.gz OJXMVMIHPPUDLD-KURKYZTESA-N 0 0 350.422 2.547 20 10 FFCDRN Nc1ccc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 ZINC000841301652 1030171984 /nfs/dbraw/zinc/17/19/84/1030171984.db2.gz CBKYDUFCBJVLIC-UHFFFAOYSA-N 0 0 356.401 2.834 20 10 FFCDRN COC(=O)c1ccnc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000841347040 1030214775 /nfs/dbraw/zinc/21/47/75/1030214775.db2.gz MAZRPOKPQAONDU-CQSZACIVSA-N 0 0 355.438 2.604 20 10 FFCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1 ZINC001166227805 1030312600 /nfs/dbraw/zinc/31/26/00/1030312600.db2.gz WMNBBZRIXBUYQV-QMMMGPOBSA-N 0 0 367.408 2.957 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cnc3onc(C4CC4)c3c2)cc1 ZINC000841476253 1030313404 /nfs/dbraw/zinc/31/34/04/1030313404.db2.gz RZZXITBPPGSNOI-UHFFFAOYSA-N 0 0 372.450 2.645 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000841588534 1030351632 /nfs/dbraw/zinc/35/16/32/1030351632.db2.gz CEULSKZOPXVBST-ZBFHGGJFSA-N 0 0 368.472 2.631 20 10 FFCDRN Cc1cc(N)cc(CNC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000841711617 1030421932 /nfs/dbraw/zinc/42/19/32/1030421932.db2.gz DWACICMTQCGHRD-UHFFFAOYSA-N 0 0 372.444 2.552 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cccc([C@@H]3CCC(=O)N3)c2)c(O)c1 ZINC000841760669 1030447920 /nfs/dbraw/zinc/44/79/20/1030447920.db2.gz XRRANBGYMJWZAK-INIZCTEOSA-N 0 0 355.394 2.674 20 10 FFCDRN COC(=O)[C@@H](C)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000841771955 1030456509 /nfs/dbraw/zinc/45/65/09/1030456509.db2.gz SHCIECHCSSBQBH-LBPRGKRZSA-N 0 0 358.394 2.739 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2ncccn2)n1C ZINC000841784548 1030463999 /nfs/dbraw/zinc/46/39/99/1030463999.db2.gz YRTJUBJIOFEQSG-UHFFFAOYSA-N 0 0 363.469 2.899 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2ncc([N+](=O)[O-])cc2N)C1 ZINC001166817285 1030532391 /nfs/dbraw/zinc/53/23/91/1030532391.db2.gz BLWFBJDGOKESDU-UHFFFAOYSA-N 0 0 353.382 2.635 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCO[C@H](CCc3ccccc3)C2)cc1 ZINC000841958560 1030560118 /nfs/dbraw/zinc/56/01/18/1030560118.db2.gz GGMDJLPAWUAHLT-HXUWFJFHSA-N 0 0 353.466 2.855 20 10 FFCDRN CCCCCC(=O)NC1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841958265 1030560625 /nfs/dbraw/zinc/56/06/25/1030560625.db2.gz XLNDQJAGFMDERC-UHFFFAOYSA-N 0 0 360.502 2.682 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC000841961209 1030562425 /nfs/dbraw/zinc/56/24/25/1030562425.db2.gz BVMGBDKLJDUSID-UHFFFAOYSA-N 0 0 372.900 2.992 20 10 FFCDRN O=C1N(CC2CC2)CC[C@]12CCC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517547 1030566554 /nfs/dbraw/zinc/56/65/54/1030566554.db2.gz QYUQHWBXOXVLQM-IBGZPJMESA-N 0 0 350.409 2.895 20 10 FFCDRN O=C1NCC[C@]12C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]2c1ccccc1 ZINC001142521149 1030570337 /nfs/dbraw/zinc/57/03/37/1030570337.db2.gz ZRPHOAAYFNPQAM-MGPUTAFESA-N 0 0 358.388 2.776 20 10 FFCDRN CCOc1cc(C=CC(=O)OCC(=O)c2ccc(O)c(O)c2)ccc1O ZINC000784469764 1030635590 /nfs/dbraw/zinc/63/55/90/1030635590.db2.gz HSHGDGNVHNSLLW-YWEYNIOJSA-N 0 0 358.346 2.641 20 10 FFCDRN Cc1ccc(C)c([C@H]2CCCN2C(=O)C(=O)NCCc2ccc(N)cc2)c1 ZINC000842234704 1030651716 /nfs/dbraw/zinc/65/17/16/1030651716.db2.gz APBXOAGAJJOPDU-HXUWFJFHSA-N 0 0 365.477 2.908 20 10 FFCDRN C[C@H](OC(=O)c1ccccc1NN=C1C=CC(=O)C=C1)C(=O)NC(N)=O ZINC000784497958 1030652071 /nfs/dbraw/zinc/65/20/71/1030652071.db2.gz HUXYGFIMTIKRDQ-JTQLQIEISA-N 0 0 356.338 2.548 20 10 FFCDRN C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238785 1030653317 /nfs/dbraw/zinc/65/33/17/1030653317.db2.gz YKISRIBBBLMLHG-LIRRHRJNSA-N 0 0 369.440 2.676 20 10 FFCDRN COC(=O)COc1ccc(N(C)C[C@@H]2CN(c3ccccc3)C(=O)O2)cc1 ZINC000784564951 1030686571 /nfs/dbraw/zinc/68/65/71/1030686571.db2.gz USQVFUMMVGCEGJ-GOSISDBHSA-N 0 0 370.405 2.700 20 10 FFCDRN Cc1cc(C(=O)O[C@H]2CC(=O)NC3(CCC3)C2)c(C)n1-c1ccccn1 ZINC000842470416 1030745772 /nfs/dbraw/zinc/74/57/72/1030745772.db2.gz QUVFUIWTAPUMMH-HNNXBMFYSA-N 0 0 353.422 2.847 20 10 FFCDRN O=C(COCCOc1ccccc1)NCc1ccc2cccnc2c1O ZINC001142727940 1030769779 /nfs/dbraw/zinc/76/97/79/1030769779.db2.gz IMNWJCMSVPPYOE-UHFFFAOYSA-N 0 0 352.390 2.652 20 10 FFCDRN O=C1CN(Cc2cc(Cl)cc(Cl)c2[O-])CCN1C1CCOCC1 ZINC001203579617 1030770107 /nfs/dbraw/zinc/77/01/07/1030770107.db2.gz BLPFSYFCYIWPDB-UHFFFAOYSA-N 0 0 359.253 2.522 20 10 FFCDRN O=C1[C@H]2C[N@H+](Cc3cc(Cl)cc(Cl)c3[O-])C[C@H]2CN1CC1CC1 ZINC001203575621 1030770389 /nfs/dbraw/zinc/77/03/89/1030770389.db2.gz UUKCZBSODLALHL-JSGCOSHPSA-N 0 0 355.265 2.999 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1sccc1-n1ccnn1 ZINC001142730615 1030772718 /nfs/dbraw/zinc/77/27/18/1030772718.db2.gz BDOULZFXIYZIQY-UHFFFAOYSA-N 0 0 351.391 2.513 20 10 FFCDRN O=C(C[C@@H](n1ccnc1)C(F)(F)F)NCc1ccc2cccnc2c1O ZINC001142731279 1030773284 /nfs/dbraw/zinc/77/32/84/1030773284.db2.gz RNQYMPICESRXFP-CYBMUJFWSA-N 0 0 364.327 2.947 20 10 FFCDRN COc1cccc(CN2CCOC[C@@H]2CCC(=O)OC(C)(C)C)c1O ZINC001203601599 1030780372 /nfs/dbraw/zinc/78/03/72/1030780372.db2.gz CGWNZJUAEIQJMY-HNNXBMFYSA-N 0 0 351.443 2.724 20 10 FFCDRN CCOc1cccc(C[N@@H+]2CC[C@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)c1O ZINC001203607877 1030783214 /nfs/dbraw/zinc/78/32/14/1030783214.db2.gz CGRPAHWQIXVPIC-IAOVAPTHSA-N 0 0 359.426 2.834 20 10 FFCDRN CCOc1cccc(CN2CCN(C(=O)c3ccccc3F)CC2)c1O ZINC001203610207 1030787158 /nfs/dbraw/zinc/78/71/58/1030787158.db2.gz ZDSONHNCBHQAFZ-UHFFFAOYSA-N 0 0 358.413 2.888 20 10 FFCDRN COc1ccc(O)c(CN2CCO[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001203665655 1030812654 /nfs/dbraw/zinc/81/26/54/1030812654.db2.gz RTQZFZXFDKFWBR-INIZCTEOSA-N 0 0 366.458 2.516 20 10 FFCDRN O=C(COC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc(O)c(O)c1 ZINC000784808453 1030824416 /nfs/dbraw/zinc/82/44/16/1030824416.db2.gz JPUJVFMBIALECT-UHFFFAOYSA-N 0 0 368.320 2.734 20 10 FFCDRN C[C@@H](NC(=O)[C@H]1CN(C)C(=O)c2ccccc21)c1ccc(N(C)C)cc1 ZINC000784893085 1030869927 /nfs/dbraw/zinc/86/99/27/1030869927.db2.gz KCCKULZBSJFLFU-KUHUBIRLSA-N 0 0 351.450 2.799 20 10 FFCDRN COc1ncncc1CNCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000842672163 1030891867 /nfs/dbraw/zinc/89/18/67/1030891867.db2.gz RYBSSRHZOTZVDP-ZIAGYGMSSA-N 0 0 360.433 2.528 20 10 FFCDRN Cc1cnnn1-c1ccc(NCc2ccc(N3CC[NH+](C)CC3)cc2)cc1 ZINC000842747232 1030937872 /nfs/dbraw/zinc/93/78/72/1030937872.db2.gz YHGRJDQVFLICIC-UHFFFAOYSA-N 0 0 362.481 2.940 20 10 FFCDRN CCOC[C@H]1CN(Cc2ccc(O)c(O)c2)Cc2nn(CC3CC3)cc21 ZINC001203877980 1030952389 /nfs/dbraw/zinc/95/23/89/1030952389.db2.gz MLFAXHAIXXZZPX-MRXNPFEDSA-N 0 0 357.454 2.840 20 10 FFCDRN CCn1cc(CN(Cc2c(C)nn(C)c2C)Cc2ccc(O)c(O)c2)cn1 ZINC001203879616 1030955643 /nfs/dbraw/zinc/95/56/43/1030955643.db2.gz UZQZQNQMRCAWLD-UHFFFAOYSA-N 0 0 369.469 2.867 20 10 FFCDRN CN(C)c1ccc(CN2CCCn3c(Cn4cccc4)nnc3C2)cc1 ZINC001203933835 1030992395 /nfs/dbraw/zinc/99/23/95/1030992395.db2.gz SHMJQNMHDMDHFG-UHFFFAOYSA-N 0 0 350.470 2.600 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)C[C@@H](C)c3cnn(C)c3)C2)cc1 ZINC000842873785 1031006690 /nfs/dbraw/zinc/00/66/90/1031006690.db2.gz JRRYVGKCKPGTSC-HZPDHXFCSA-N 0 0 357.454 2.992 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3nccn4cc(C)nc34)C2)cc1 ZINC000842876750 1031009466 /nfs/dbraw/zinc/00/94/66/1031009466.db2.gz WNYGVCKDMHCOJX-HNNXBMFYSA-N 0 0 366.421 2.730 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)C[C@H]3CCOC[C@H]3OC)C2)cc1 ZINC000842876406 1031009631 /nfs/dbraw/zinc/00/96/31/1031009631.db2.gz YEHDZAGAGOORPF-FRQCXROJSA-N 0 0 363.454 2.506 20 10 FFCDRN CCC(=O)N1CCCC[C@@H]1C(=O)OC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000842877890 1031011536 /nfs/dbraw/zinc/01/15/36/1031011536.db2.gz DRGXFOJEEGBOSB-VQIMIIECSA-N 0 0 374.481 2.856 20 10 FFCDRN CCNC(=O)c1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000797610930 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ZINC000847088045 1055050986 /nfs/dbraw/zinc/05/09/86/1055050986.db2.gz PYSKVJZAZOAXNF-ZDUSSCGKSA-N 0 0 374.462 2.784 20 10 FFCDRN C[C@H]1CN(c2nnc(C3SC=CC3=O)n2C)C[C@@H](CC(F)(F)F)O1 ZINC001338086155 1055219809 /nfs/dbraw/zinc/21/98/09/1055219809.db2.gz FKCCJWGIWHZKDE-DTWKUNHWSA-N 0 0 362.377 2.795 20 10 FFCDRN CCc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)no1 ZINC001356036447 1055234479 /nfs/dbraw/zinc/23/44/79/1055234479.db2.gz HLELNAKKHCWFBP-BETUJISGSA-N 0 0 361.417 2.920 20 10 FFCDRN CCc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)no1 ZINC001356036449 1055235109 /nfs/dbraw/zinc/23/51/09/1055235109.db2.gz HLELNAKKHCWFBP-STQMWFEESA-N 0 0 361.417 2.920 20 10 FFCDRN C[C@H](CC(=O)OCC(=O)c1ccc(O)c(O)c1)N1CCc2ccccc21 ZINC000848871837 1055276209 /nfs/dbraw/zinc/27/62/09/1055276209.db2.gz ROEARQGHUOCSNA-CYBMUJFWSA-N 0 0 355.390 2.665 20 10 FFCDRN CCc1cccc(CN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c1O ZINC000848914478 1055356055 /nfs/dbraw/zinc/35/60/55/1055356055.db2.gz 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ZINC001338484002 1055556117 /nfs/dbraw/zinc/55/61/17/1055556117.db2.gz MAWRQKDXKMUSLO-SFHVURJKSA-N 0 0 359.470 2.914 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cccc4oc(=O)[nH]c43)CC2)cc1 ZINC000847364869 1055604241 /nfs/dbraw/zinc/60/42/41/1055604241.db2.gz DTOXHKQBTYQLAF-UHFFFAOYSA-N 0 0 367.405 2.895 20 10 FFCDRN COCC1CCN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC1 ZINC001338588233 1055648083 /nfs/dbraw/zinc/64/80/83/1055648083.db2.gz JXGXAVYQGOAGSG-UHFFFAOYSA-N 0 0 359.455 2.660 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3cccc(O)c3O)C2)cc1 ZINC001352658439 1055691721 /nfs/dbraw/zinc/69/17/21/1055691721.db2.gz VIYYRGFKCLIIHE-KRWDZBQOSA-N 0 0 368.433 2.575 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C3CCCC3)cc2)CC1 ZINC001350319930 1055722503 /nfs/dbraw/zinc/72/25/03/1055722503.db2.gz QTKWXAILRASKHR-UXHICEINSA-N 0 0 369.509 2.831 20 10 FFCDRN Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC001357128807 1055787806 /nfs/dbraw/zinc/78/78/06/1055787806.db2.gz MQMOVEJTGABCHE-AWEZNQCLSA-N 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/nfs/dbraw/zinc/47/48/43/1056474843.db2.gz UPIYUAUHMJMOTK-UHFFFAOYSA-N 0 0 361.496 2.633 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCC3(C[C@H]3C(=O)N3CCCCC3)CC2)cc1 ZINC001353539183 1056513387 /nfs/dbraw/zinc/51/33/87/1056513387.db2.gz JLKUHEIGMFBUCC-SFHVURJKSA-N 0 0 370.497 2.593 20 10 FFCDRN CC(C)c1nc2ccccn2c1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001339547386 1056570420 /nfs/dbraw/zinc/57/04/20/1056570420.db2.gz PQUFAGLEZHENQA-UHFFFAOYSA-N 0 0 366.421 2.760 20 10 FFCDRN COc1cc(CNc2ccnc(C(=O)N(C)C)c2)c(O)c(C(C)(C)C)c1 ZINC000849346290 1056834525 /nfs/dbraw/zinc/83/45/25/1056834525.db2.gz RUDCJNQYJWGWAO-UHFFFAOYSA-N 0 0 357.454 2.829 20 10 FFCDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001544879197 1071706407 /nfs/dbraw/zinc/70/64/07/1071706407.db2.gz CMIHEZSBOMQKRX-UHFFFAOYSA-N 0 0 369.381 2.812 20 10 FFCDRN CCOC(=O)C1(CC(F)F)CCN(C(=O)c2ccc(C)c(O)c2O)CC1 ZINC001353932204 1058390706 /nfs/dbraw/zinc/39/07/06/1058390706.db2.gz JGEGQPUXHHDALX-UHFFFAOYSA-N 0 0 371.380 2.847 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(C)nc(NC4CC4)c3)CC2)cc1 ZINC001445728640 1058437422 /nfs/dbraw/zinc/43/74/22/1058437422.db2.gz DHCZKHSWEMFRMV-UHFFFAOYSA-N 0 0 366.465 2.935 20 10 FFCDRN C[C@H](O)Cc1nnc(N(C)Cc2ccccc2O)n1Cc1cccs1 ZINC001518702806 1058467718 /nfs/dbraw/zinc/46/77/18/1058467718.db2.gz POPLPFJRGAXVAP-ZDUSSCGKSA-N 0 0 358.467 2.653 20 10 FFCDRN CC[C@@H]1CN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C[C@@H]1O ZINC001447285326 1058618974 /nfs/dbraw/zinc/61/89/74/1058618974.db2.gz JAEFIBHMCGNHKO-VLIAUNLRSA-N 0 0 356.466 2.758 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1-n1cccn1 ZINC001447566173 1058671027 /nfs/dbraw/zinc/67/10/27/1058671027.db2.gz WQLQHOGNCIHZFF-CQSZACIVSA-N 0 0 351.406 2.953 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)[C@H]1OC ZINC001448113217 1058741701 /nfs/dbraw/zinc/74/17/01/1058741701.db2.gz FDRNUOPNHRMREA-DFQSSKMNSA-N 0 0 370.449 2.829 20 10 FFCDRN CNC(=S)Nc1c(C(=O)c2ccccc2)cccc1[C@H](SC)C(N)=O ZINC001200610223 1058772919 /nfs/dbraw/zinc/77/29/19/1058772919.db2.gz LUYYMGGLSLEDFU-INIZCTEOSA-N 0 0 373.503 2.723 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC001449127125 1058866823 /nfs/dbraw/zinc/86/68/23/1058866823.db2.gz WLSYYCWEYHKHTE-UHFFFAOYSA-N 0 0 355.431 2.551 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1C[C@@H](C)OC[C@@H]1C ZINC001300610065 1058988546 /nfs/dbraw/zinc/98/85/46/1058988546.db2.gz DZBNTWLSITYMTP-JKSUJKDBSA-N 0 0 361.511 2.995 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NC[C@H]2CCC[C@@H]2O)CCCC1 ZINC001451036339 1059075437 /nfs/dbraw/zinc/07/54/37/1059075437.db2.gz JUEFLMJFDICYOF-VLIAUNLRSA-N 0 0 356.466 2.806 20 10 FFCDRN CCCC[C@@H](O)CCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC001451046820 1059076703 /nfs/dbraw/zinc/07/67/03/1059076703.db2.gz JSZZKNKBGMIZSC-OAHLLOKOSA-N 0 0 370.440 2.749 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CC(F)(F)CC[C@@H]1C ZINC001514775331 1059088983 /nfs/dbraw/zinc/08/89/83/1059088983.db2.gz MIKUOCXDKPDDGX-JTQLQIEISA-N 0 0 358.414 2.983 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCCn2ccc(C(=O)OC)n2)cc1 ZINC001354541558 1059136605 /nfs/dbraw/zinc/13/66/05/1059136605.db2.gz SNUOHTWFLXBSBJ-UHFFFAOYSA-N 0 0 372.469 2.613 20 10 FFCDRN CCc1c(C(=O)NCc2ccc(O)cc2O)nnn1-c1cccc(Cl)c1 ZINC001451768017 1059141582 /nfs/dbraw/zinc/14/15/82/1059141582.db2.gz MPARWEAVSDKELZ-UHFFFAOYSA-N 0 0 372.812 2.824 20 10 FFCDRN O=C(/C=C\c1ccc2c(c1)NC(=O)CO2)NCc1cc(Cl)ccc1O ZINC001452936942 1059315335 /nfs/dbraw/zinc/31/53/35/1059315335.db2.gz TUEZJFDHHDWVCA-KXFIGUGUSA-N 0 0 358.781 2.706 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc(C(F)F)nc1 ZINC000848231654 1059430196 /nfs/dbraw/zinc/43/01/96/1059430196.db2.gz IXWSYMUCAMFFKA-UHFFFAOYSA-N 0 0 364.348 2.930 20 10 FFCDRN O=C(Nc1ccc(NC(=O)C2=S=CC=C2)cc1)c1ncc2n1CCCC2 ZINC001520230072 1059513660 /nfs/dbraw/zinc/51/36/60/1059513660.db2.gz FHNJJBYWBODYES-UHFFFAOYSA-N 0 0 366.446 2.688 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2[C@H](C)CC[C@@H]2CO)cc1 ZINC001455220740 1059730237 /nfs/dbraw/zinc/73/02/37/1059730237.db2.gz FPKXAVGLHXOXIZ-JLTOFOAXSA-N 0 0 354.450 2.821 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1cnc2ncc(Br)cc2c1 ZINC001455317536 1059755679 /nfs/dbraw/zinc/75/56/79/1059755679.db2.gz UZUYSUJJQRVPAZ-UHFFFAOYSA-N 0 0 374.194 2.734 20 10 FFCDRN O=C(CSc1ccc(C(F)(F)F)cn1)NCc1cc(O)ccc1O ZINC001455351922 1059769105 /nfs/dbraw/zinc/76/91/05/1059769105.db2.gz ZUCWTFHKRXXFBD-UHFFFAOYSA-N 0 0 358.341 2.920 20 10 FFCDRN O=C(CCC(=O)NCc1cc(O)ccc1O)CCC(=O)c1cccs1 ZINC001455357126 1059770889 /nfs/dbraw/zinc/77/08/89/1059770889.db2.gz OFLDSKNLPFBPPI-UHFFFAOYSA-N 0 0 361.419 2.788 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2cc([N+](=O)[O-])n[nH]2)CCCC1 ZINC001455730413 1059895398 /nfs/dbraw/zinc/89/53/98/1059895398.db2.gz KXEQTFUWFJIFFE-UHFFFAOYSA-N 0 0 369.381 2.799 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@]12CC[C@H](CC1=O)C2(C)C ZINC001520754750 1060038711 /nfs/dbraw/zinc/03/87/11/1060038711.db2.gz VGFIBXAHFQYIAT-VGSWGCGISA-N 0 0 370.493 2.877 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC001456237862 1060066066 /nfs/dbraw/zinc/06/60/66/1060066066.db2.gz WZBXSALFKUJJII-UHFFFAOYSA-N 0 0 374.400 2.821 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC3(c4ncon4)CC3)ccc21 ZINC001520782904 1060070147 /nfs/dbraw/zinc/07/01/47/1060070147.db2.gz APZGYBMGBDDNRB-UHFFFAOYSA-N 0 0 354.410 2.707 20 10 FFCDRN COC(=O)C(C)(C)[C@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001355344993 1060153078 /nfs/dbraw/zinc/15/30/78/1060153078.db2.gz QODPLGJUAHSOPF-NSHDSACASA-N 0 0 364.471 2.665 20 10 FFCDRN CCN(CC)c1ccc(Cn2c(C)nnc2N(C)C[C@@H]2CCOC2)cc1 ZINC001547442455 1071957454 /nfs/dbraw/zinc/95/74/54/1071957454.db2.gz PNYWQFCPCSOEIJ-SFHVURJKSA-N 0 0 357.502 2.954 20 10 FFCDRN C[C@H](NC(=O)NCc1cccc(Cl)c1O)c1nnc2n1CCCCC2 ZINC001521227173 1060476565 /nfs/dbraw/zinc/47/65/65/1060476565.db2.gz QSAQUUUQKQLPLP-NSHDSACASA-N 0 0 363.849 2.924 20 10 FFCDRN COc1ccc(N2CCN(Cc3cc(OC)cc(C)n3)CC2)c(OC)c1 ZINC001460649774 1061045250 /nfs/dbraw/zinc/04/52/50/1061045250.db2.gz GXLNUEHCHCXCMK-UHFFFAOYSA-N 0 0 357.454 2.738 20 10 FFCDRN COc1ccc(S(=O)(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC001475403020 1061076719 /nfs/dbraw/zinc/07/67/19/1061076719.db2.gz TXKDWMAEAODGGX-OAHLLOKOSA-N 0 0 362.495 2.979 20 10 FFCDRN CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)NCc1cccc(O)c1O ZINC001521852642 1061169444 /nfs/dbraw/zinc/16/94/44/1061169444.db2.gz YEUSRTHMRUPHMA-LBPRGKRZSA-N 0 0 352.431 2.750 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cnnn2-c2ccccc2)c1 ZINC001476790239 1061478938 /nfs/dbraw/zinc/47/89/38/1061478938.db2.gz VOLJSEDBVGWOOK-LBPRGKRZSA-N 0 0 353.382 2.864 20 10 FFCDRN COc1c(O)c(CN2CCc3cccc(NC(C)=O)c3C2)ccc1[N+](=O)[O-] ZINC001462507890 1061650770 /nfs/dbraw/zinc/65/07/70/1061650770.db2.gz WEPVAHPPIBMPNM-UHFFFAOYSA-N 0 0 371.393 2.826 20 10 FFCDRN Oc1cccc(Br)c1CNCc1cnc(Br)cn1 ZINC001462511545 1061654018 /nfs/dbraw/zinc/65/40/18/1061654018.db2.gz XQDPYMNVOLMHSA-UHFFFAOYSA-N 0 0 373.048 2.997 20 10 FFCDRN CC(C)c1ccc(O)c(CN2CCn3c(nnc3-c3cn(C)cn3)C2)c1 ZINC001462519429 1061655828 /nfs/dbraw/zinc/65/58/28/1061655828.db2.gz 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CN(C)c1ccc(CN(C)C(=O)[C@H]2[C@H]3C[C@H]3CN2C(=O)OC(C)(C)C)cc1 ZINC001463753663 1062243990 /nfs/dbraw/zinc/24/39/90/1062243990.db2.gz VIHMMZZOIWWHIJ-RYQLBKOJSA-N 0 0 373.497 2.966 20 10 FFCDRN CCc1cccc(NC(=O)CNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001464574380 1062692869 /nfs/dbraw/zinc/69/28/69/1062692869.db2.gz QATAFDYTEHCIQA-UHFFFAOYSA-N 0 0 353.382 2.780 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2Oc3ccccc3O[C@H]2C)cc1 ZINC001531375034 1062755047 /nfs/dbraw/zinc/75/50/47/1062755047.db2.gz PKFQZFMTQDDCQG-YWZLYKJASA-N 0 0 370.449 2.818 20 10 FFCDRN COc1ccc(F)cc1CS(=O)(=O)NCc1cccc(Cl)c1O ZINC001464791583 1062827218 /nfs/dbraw/zinc/82/72/18/1062827218.db2.gz SNGHYPJTBGJTCD-UHFFFAOYSA-N 0 0 359.806 2.813 20 10 FFCDRN Cc1cc(C(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)c(C)n1-c1ccc(F)cc1 ZINC001465650987 1063168305 /nfs/dbraw/zinc/16/83/05/1063168305.db2.gz ZHRQLOIIGPFNGS-UHFFFAOYSA-N 0 0 356.357 2.995 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@](C)(O)C2)CCCC1 ZINC001466098022 1063324697 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/nfs/dbraw/zinc/42/54/19/1064425419.db2.gz XPWXPDIUQPFOOG-OCCSQVGLSA-N 0 0 364.442 2.710 20 10 FFCDRN COc1cccc(CNC(=O)NCCc2cnc3ccccc3c2)c1O ZINC001471278551 1064623069 /nfs/dbraw/zinc/62/30/69/1064623069.db2.gz CEPKYFHGVGMWFC-UHFFFAOYSA-N 0 0 351.406 2.991 20 10 FFCDRN O=C(c1cc(Br)cc2[nH]c(=O)[nH]c21)N1Cc2cccc(O)c2C1 ZINC001471355641 1064652478 /nfs/dbraw/zinc/65/24/78/1064652478.db2.gz OUILEQQKPXKTIN-UHFFFAOYSA-N 0 0 374.194 2.893 20 10 FFCDRN Cc1cc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc(S(C)(=O)=O)c1 ZINC001471420543 1064670217 /nfs/dbraw/zinc/67/02/17/1064670217.db2.gz ALTIKSKOJHMWFJ-UHFFFAOYSA-N 0 0 360.395 2.813 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@@H]2CCC[C@]2(NC(=O)C2=CC(=O)CS2)C1 ZINC001472346947 1065026332 /nfs/dbraw/zinc/02/63/32/1065026332.db2.gz VQJWSBOAYHHFQX-GTNSWQLSSA-N 0 0 352.456 2.973 20 10 FFCDRN N[C@@](C(=O)NCc1c(O)cccc1F)(c1cccc(F)c1)C(F)(F)F ZINC001472622806 1065114219 /nfs/dbraw/zinc/11/42/19/1065114219.db2.gz PCKSXRARQFMYOQ-OAHLLOKOSA-N 0 0 360.282 2.703 20 10 FFCDRN COC(=O)c1cc(OCC(=O)N[C@H](C)c2ccc(F)cc2)ccc1N(C)C ZINC001473077223 1065194452 /nfs/dbraw/zinc/19/44/52/1065194452.db2.gz LONJDBHWWIDNSO-CYBMUJFWSA-N 0 0 374.412 2.935 20 10 FFCDRN O=C1NCCN1c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC001473945759 1065426014 /nfs/dbraw/zinc/42/60/14/1065426014.db2.gz JZCUOLUFDZWLIJ-UHFFFAOYSA-N 0 0 366.465 2.789 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)CCc2cccc(F)c2)cc1F ZINC001474891813 1065639785 /nfs/dbraw/zinc/63/97/85/1065639785.db2.gz RJZGFSAISFSHJQ-UHFFFAOYSA-N 0 0 354.422 2.693 20 10 FFCDRN Nc1ccc(CNC(=O)c2sccc2NC(=O)c2ccncc2)cc1 ZINC001580445795 1078806284 /nfs/dbraw/zinc/80/62/84/1078806284.db2.gz WHJLEZKUILQFCD-UHFFFAOYSA-N 0 0 352.419 2.908 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CC(C4CCOCC4)C3)cs2)cc1 ZINC001580447259 1078806681 /nfs/dbraw/zinc/80/66/81/1078806681.db2.gz XJZQUOYBKZOENK-UHFFFAOYSA-N 0 0 357.479 2.815 20 10 FFCDRN Cc1cc(C(=O)NCCCSc2nccs2)cc(C)c1-c1nn[nH]n1 ZINC001580865857 1078879170 /nfs/dbraw/zinc/87/91/70/1078879170.db2.gz 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ZINC001556260857 1075721917 /nfs/dbraw/zinc/72/19/17/1075721917.db2.gz URHHXOBXAPYFPO-AOMKIAJQSA-N 0 0 367.493 2.865 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(CCO)CC2CC2)CCCC1 ZINC001556513563 1075748978 /nfs/dbraw/zinc/74/89/78/1075748978.db2.gz KASODMSQLKQANE-UHFFFAOYSA-N 0 0 356.466 2.760 20 10 FFCDRN C[C@H](NC(=O)c1cncc(I)c1)c1ccccc1O ZINC001557967538 1075918984 /nfs/dbraw/zinc/91/89/84/1075918984.db2.gz GEGGYGCXELQFCQ-VIFPVBQESA-N 0 0 368.174 2.883 20 10 FFCDRN CC(C)n1ncc2cc(C=CC(=O)N[C@@H](C)c3ccccc3O)c(=O)[nH]c21 ZINC001557968474 1075919076 /nfs/dbraw/zinc/91/90/76/1075919076.db2.gz ZTYZSISNJZPZFS-YXVBKTCISA-N 0 0 366.421 2.902 20 10 FFCDRN COc1ccc(C(=O)CCC(=O)N2Cc3cccc(O)c3C2)cc1OC ZINC001558034431 1075932832 /nfs/dbraw/zinc/93/28/32/1075932832.db2.gz DSUUWVKSMRZBBG-UHFFFAOYSA-N 0 0 355.390 2.915 20 10 FFCDRN CC(C)[C@@H](C(=O)NCc1cccc(O)c1O)[C@H](C)NC(=O)OC(C)(C)C ZINC001558161603 1075952685 /nfs/dbraw/zinc/95/26/85/1075952685.db2.gz NXAMKJQDHAMIDT-SWLSCSKDSA-N 0 0 366.458 2.899 20 10 FFCDRN CNC(=O)N[C@@H]1CCCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC001558309036 1075977176 /nfs/dbraw/zinc/97/71/76/1075977176.db2.gz BYMWUWCARYQOEY-QGZVFWFLSA-N 0 0 354.454 2.628 20 10 FFCDRN O=C(CNC(=O)Cc1cccc2ccccc21)NCc1c(O)cccc1F ZINC001558456132 1076010070 /nfs/dbraw/zinc/01/00/70/1076010070.db2.gz UARHYUSUQSKXPS-UHFFFAOYSA-N 0 0 366.392 2.660 20 10 FFCDRN COc1cccc(OC(F)(F)F)c1C(=O)NCc1c(O)cccc1O ZINC001558534999 1076026945 /nfs/dbraw/zinc/02/69/45/1076026945.db2.gz BCISJOGGCSKKEM-UHFFFAOYSA-N 0 0 357.284 2.935 20 10 FFCDRN COC(=O)c1ccc2c(c1)CN(c1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC001559099417 1076125570 /nfs/dbraw/zinc/12/55/70/1076125570.db2.gz PNCPYTFTGYEOQL-UHFFFAOYSA-N 0 0 358.350 2.919 20 10 FFCDRN CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cc(Cl)ccc1O ZINC001559231322 1076137137 /nfs/dbraw/zinc/13/71/37/1076137137.db2.gz OSAJPKATBRRGON-UHFFFAOYSA-N 0 0 356.787 2.969 20 10 FFCDRN CCOc1ccc(N(CC)CC(=O)NC(=O)NCc2ccccc2)cc1 ZINC001559635470 1076178931 /nfs/dbraw/zinc/17/89/31/1076178931.db2.gz WLMIPWPOSNADBM-UHFFFAOYSA-N 0 0 355.438 2.938 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCOc1ncccc1F ZINC001560403455 1076270677 /nfs/dbraw/zinc/27/06/77/1076270677.db2.gz LQMKOKGXEKVKHR-UHFFFAOYSA-N 0 0 359.170 2.997 20 10 FFCDRN COc1cc(C(=O)N2CCN(Cc3ccc(C)cc3O)CC2)ccc1C ZINC001560660470 1076288825 /nfs/dbraw/zinc/28/88/25/1076288825.db2.gz QFQZWDNNEDEYKU-UHFFFAOYSA-N 0 0 354.450 2.976 20 10 FFCDRN NS(=O)(=O)c1cc2c(s1)CCN(Cc1ccc3ccccc3c1O)C2 ZINC001560939881 1076312093 /nfs/dbraw/zinc/31/20/93/1076312093.db2.gz UZAWXENQKLBWAW-UHFFFAOYSA-N 0 0 374.487 2.813 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)C[C@@H]2CCC3(CCC3)O2)cc1 ZINC001561081712 1076329797 /nfs/dbraw/zinc/32/97/97/1076329797.db2.gz MVYYREQTSPMQPV-KRWDZBQOSA-N 0 0 352.500 2.616 20 10 FFCDRN O=S(=O)(c1cccc2nsnc21)N1CCOc2c(F)ccc(F)c21 ZINC001561795185 1076423879 /nfs/dbraw/zinc/42/38/79/1076423879.db2.gz AKIZLAAZZKWAEQ-UHFFFAOYSA-N 0 0 369.374 2.557 20 10 FFCDRN COC(=O)c1ccc(CCNC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001563517220 1076562253 /nfs/dbraw/zinc/56/22/53/1076562253.db2.gz KRTIIQDBMMPAQS-UHFFFAOYSA-N 0 0 362.813 2.874 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CC[C@H](O)[C@H]4CCCC[C@@H]43)ccc21 ZINC001563791967 1076583120 /nfs/dbraw/zinc/58/31/20/1076583120.db2.gz JTTNJOHMXLIMFG-IHPCNDPISA-N 0 0 357.498 2.904 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)N2Cc3cccc(O)c3C2)C1 ZINC001564573456 1076645134 /nfs/dbraw/zinc/64/51/34/1076645134.db2.gz NOXSNLURGONLFQ-CQSZACIVSA-N 0 0 361.442 2.817 20 10 FFCDRN COC(=O)[C@]12CCC[C@H]1CN(C(=O)N[C@H](C)c1ccc(N(C)C)cc1)C2 ZINC001564597221 1076646693 /nfs/dbraw/zinc/64/66/93/1076646693.db2.gz KGNCPJBGLDQAFR-IIMJZQEZSA-N 0 0 359.470 2.798 20 10 FFCDRN Cn1cc(Br)c(CNC(=O)NCc2cccc(Cl)c2O)n1 ZINC001564785978 1076659478 /nfs/dbraw/zinc/65/94/78/1076659478.db2.gz TWROTASYZSVNNE-UHFFFAOYSA-N 0 0 373.638 2.541 20 10 FFCDRN CC(C)N1C(=S)N=NC1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001565742747 1076760329 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C[C@@H](NC(=O)NCc1ccc(-c2nn[nH]n2)s1)c1ccc(N(C)C)cc1 ZINC001589935814 1080879229 /nfs/dbraw/zinc/87/92/29/1080879229.db2.gz MKTIHLYUYBHQTI-LLVKDONJSA-N 0 0 371.470 2.555 20 10 FFCDRN C[C@@H](Nc1ccc(OC2COC2)cc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589980912 1080920558 /nfs/dbraw/zinc/92/05/58/1080920558.db2.gz IMXRVGIIONYSHS-LLVKDONJSA-N 0 0 353.382 2.523 20 10 FFCDRN CNc1snc(C)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000109190357 132244710 /nfs/dbraw/zinc/24/47/10/132244710.db2.gz JHZMTVJTSUVNGI-LBPRGKRZSA-N 0 0 360.483 2.821 20 10 FFCDRN Cn1ccnc1[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000368911679 512132217 /nfs/dbraw/zinc/13/22/17/512132217.db2.gz ALUXSYYXFOFTBY-GOSISDBHSA-N 0 0 365.481 2.886 20 10 FFCDRN CC(C)C[C@H](CCO)CNC(=O)NCc1cccc(Br)c1O ZINC000277731680 510970062 /nfs/dbraw/zinc/97/00/62/510970062.db2.gz LEOZESHQQHKFGB-LBPRGKRZSA-N 0 0 373.291 2.999 20 10 FFCDRN C[C@H](Sc1nccs1)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1 ZINC000052913976 506278606 /nfs/dbraw/zinc/27/86/06/506278606.db2.gz AAOQIMNFKFYOOW-JTQLQIEISA-N 0 0 371.509 2.513 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCc3cccc(O)c3)CC2)cc1 ZINC000066235077 506454692 /nfs/dbraw/zinc/45/46/92/506454692.db2.gz WJCWJFKBASQUAF-UHFFFAOYSA-N 0 0 369.465 2.865 20 10 FFCDRN O=C(NCCCOCC1CC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000053999214 506474546 /nfs/dbraw/zinc/47/45/46/506474546.db2.gz ZKYSMWKHCIDOFE-GOSISDBHSA-N 0 0 362.470 2.900 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000045184164 506928018 /nfs/dbraw/zinc/92/80/18/506928018.db2.gz WLIYZMZPGTUXKO-LJQANCHMSA-N 0 0 369.465 2.607 20 10 FFCDRN COc1ccc(C(=O)N(C)C)cc1NC(=O)N(C)Cc1ccccc1O ZINC000056643155 507065649 /nfs/dbraw/zinc/06/56/49/507065649.db2.gz AXCRCJHPFSYLMS-UHFFFAOYSA-N 0 0 357.410 2.767 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000016134483 507075664 /nfs/dbraw/zinc/07/56/64/507075664.db2.gz BLCGRFGINYSFSP-UHFFFAOYSA-N 0 0 369.421 2.633 20 10 FFCDRN Cc1cc(C)n(-c2ccc(CNC(=O)N(C)Cc3ccccc3O)cn2)n1 ZINC000046119678 507082312 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CCC[C@@H](NC(=O)Cc1ccccc1)C(=O)N(C)Cc1ccccc1O ZINC000069966917 507594486 /nfs/dbraw/zinc/59/44/86/507594486.db2.gz BABPUCIHJDRPGT-GOSISDBHSA-N 0 0 354.450 2.878 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@]3(CC=CCC3)C2)c1 ZINC000369330265 512353506 /nfs/dbraw/zinc/35/35/06/512353506.db2.gz RHTCIZKUVXGCNR-SFHVURJKSA-N 0 0 364.467 2.726 20 10 FFCDRN CCOC(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1 ZINC000052457710 507809555 /nfs/dbraw/zinc/80/95/55/507809555.db2.gz STKGLQXCHXVBBD-UHFFFAOYSA-N 0 0 373.428 2.971 20 10 FFCDRN COCc1nc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000078775663 507905995 /nfs/dbraw/zinc/90/59/95/507905995.db2.gz YFLJWSUQNXWBIA-CQSZACIVSA-N 0 0 362.451 2.817 20 10 FFCDRN C[C@@H](CO)[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000074386246 508017922 /nfs/dbraw/zinc/01/79/22/508017922.db2.gz YJOKTQBUZBBZLH-MELADBBJSA-N 0 0 371.428 2.573 20 10 FFCDRN C[N@H+](Cc1cc(Cl)cc(Cl)c1[O-])C1CCN(S(C)(=O)=O)CC1 ZINC000091963877 508028323 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COc1ccc(N2CCN(C(=O)N[C@@H](C)c3ccccn3)CC2)cc1F ZINC000084852426 508294388 /nfs/dbraw/zinc/29/43/88/508294388.db2.gz KPYVOWFEUQNPNN-AWEZNQCLSA-N 0 0 358.417 2.822 20 10 FFCDRN Cc1noc(CCC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)n1 ZINC000103413644 508310741 /nfs/dbraw/zinc/31/07/41/508310741.db2.gz CJJYKMDTBXWHJW-UHFFFAOYSA-N 0 0 370.375 2.968 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)c1 ZINC000114543574 508325294 /nfs/dbraw/zinc/32/52/94/508325294.db2.gz JVMABOUKZBUHMP-INIZCTEOSA-N 0 0 374.824 2.724 20 10 FFCDRN C[C@H]1CCCN(C(=O)C2CCN(C(=O)CSc3nccs3)CC2)C1 ZINC000077638761 508344115 /nfs/dbraw/zinc/34/41/15/508344115.db2.gz UAKCAOSJHIAZCW-ZDUSSCGKSA-N 0 0 367.540 2.732 20 10 FFCDRN O=C(CCCOc1ccc(F)cc1F)NCCc1ccc(O)c(O)c1 ZINC000156580408 508445113 /nfs/dbraw/zinc/44/51/13/508445113.db2.gz LHLHZNJPTHUFKO-UHFFFAOYSA-N 0 0 351.349 2.894 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCN(c3ccccn3)C2)c(C)n1-c1ccccn1 ZINC000152668696 508490459 /nfs/dbraw/zinc/49/04/59/508490459.db2.gz MHQKTZKRFBPLTE-QGZVFWFLSA-N 0 0 361.449 2.893 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000158217998 508673273 /nfs/dbraw/zinc/67/32/73/508673273.db2.gz LOCLROPCIIJQQM-UHFFFAOYSA-N 0 0 366.508 2.880 20 10 FFCDRN C[C@@H](Oc1cccnc1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000153940587 508682046 /nfs/dbraw/zinc/68/20/46/508682046.db2.gz NIQYVHOLLZMWDO-QAPCUYQASA-N 0 0 356.422 2.762 20 10 FFCDRN Cc1nn(CC(F)(F)F)c(C)c1CC(=O)N(C)Cc1ccccc1O ZINC000136460825 508696031 /nfs/dbraw/zinc/69/60/31/508696031.db2.gz RYWIEUAEUQIAAG-UHFFFAOYSA-N 0 0 355.360 2.969 20 10 FFCDRN COc1ccc(N2CCC([NH2+]CC(=O)N(C)Cc3ccccc3)CC2)cc1 ZINC000119098605 508725076 /nfs/dbraw/zinc/72/50/76/508725076.db2.gz VQDUHOOWCXTROZ-UHFFFAOYSA-N 0 0 367.493 2.912 20 10 FFCDRN CCCN(C)S(=O)(=O)N(CC)Cc1cc(Br)ccc1O ZINC000123902479 508755903 /nfs/dbraw/zinc/75/59/03/508755903.db2.gz SEFKLONUOHKFRM-UHFFFAOYSA-N 0 0 365.293 2.563 20 10 FFCDRN O[C@@H](COC1CCOCC1)CN1CCCc2cc(OC(F)F)ccc21 ZINC000154571885 508811884 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CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1Cc2cc(F)ccc2O1 ZINC000150985864 508935321 /nfs/dbraw/zinc/93/53/21/508935321.db2.gz KSWPSSXOVUFWAL-HXUWFJFHSA-N 0 0 370.424 2.624 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCS(=O)(=O)C(C)(C)C1 ZINC000160117040 508940580 /nfs/dbraw/zinc/94/05/80/508940580.db2.gz UZEHQTOJDBRGKN-UHFFFAOYSA-N 0 0 366.508 2.805 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)cc1 ZINC000155234249 508954912 /nfs/dbraw/zinc/95/49/12/508954912.db2.gz WCJAIGBYRKDYMO-OTWHNJEPSA-N 0 0 373.497 2.730 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000155683320 509052019 /nfs/dbraw/zinc/05/20/19/509052019.db2.gz NDXIYTWUGMXFSG-LJQANCHMSA-N 0 0 367.453 2.760 20 10 FFCDRN COCCC1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CC1 ZINC000161120314 509074403 /nfs/dbraw/zinc/07/44/03/509074403.db2.gz AVAZDONTEHFNEM-QGZVFWFLSA-N 0 0 362.470 2.900 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCc3nccs3)CC2)cc1 ZINC000161778256 509152254 /nfs/dbraw/zinc/15/22/54/509152254.db2.gz WHBGMJXCYZUODH-UHFFFAOYSA-N 0 0 363.508 2.734 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](CO)c1ccccc1 ZINC000175862025 509184617 /nfs/dbraw/zinc/18/46/17/509184617.db2.gz WFBWMLHSNQOBCV-LJQANCHMSA-N 0 0 353.466 2.862 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000266870003 509232885 /nfs/dbraw/zinc/23/28/85/509232885.db2.gz ULYSAXSCIQUPKS-HNNXBMFYSA-N 0 0 370.501 2.972 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCS(=O)(=O)C[C@H](C)C1 ZINC000191895989 509236142 /nfs/dbraw/zinc/23/61/42/509236142.db2.gz SOOWGVCBPCXSCF-GFCCVEGCSA-N 0 0 366.508 2.662 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccnc1OCC(F)F ZINC000179041984 509237635 /nfs/dbraw/zinc/23/76/35/509237635.db2.gz VSWOWZGAMCTWLW-UHFFFAOYSA-N 0 0 363.364 2.831 20 10 FFCDRN Cc1ccc(C)n1-c1nc(CC(=O)NCCc2ccc(O)c(O)c2)cs1 ZINC000179088174 509256962 /nfs/dbraw/zinc/25/69/62/509256962.db2.gz HWKCAYUZVOKBSG-UHFFFAOYSA-N 0 0 371.462 2.863 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc2c(c1)CC(=O)N2C ZINC000264009961 509280315 /nfs/dbraw/zinc/28/03/15/509280315.db2.gz IPQPORNDIQOEIG-CQSZACIVSA-N 0 0 366.465 2.832 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3csc([C@@H]4CCCO4)n3)CC2)cc1 ZINC000179165675 509299554 /nfs/dbraw/zinc/29/95/54/509299554.db2.gz HTNFWVGMDHUONH-KRWDZBQOSA-N 0 0 373.478 2.966 20 10 FFCDRN CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188909540 509319595 /nfs/dbraw/zinc/31/95/95/509319595.db2.gz PVBZYBZOQVOHPF-GOSISDBHSA-N 0 0 371.437 2.526 20 10 FFCDRN COc1cccc(CNC(=O)C2CCN(C(=O)OCC(C)C)CC2)c1O ZINC000264260554 509417567 /nfs/dbraw/zinc/41/75/67/509417567.db2.gz JIPXQDCVQNKTMM-UHFFFAOYSA-N 0 0 364.442 2.522 20 10 FFCDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000176308532 509436232 /nfs/dbraw/zinc/43/62/32/509436232.db2.gz WIFTXSMVELJZOX-UHFFFAOYSA-N 0 0 366.421 2.898 20 10 FFCDRN Cc1nn(C(F)F)c(C)c1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173186752 509443573 /nfs/dbraw/zinc/44/35/73/509443573.db2.gz YZSZLDOZFOEWPC-UHFFFAOYSA-N 0 0 364.396 2.929 20 10 FFCDRN O=C(NCCC1CCN(CC(F)(F)F)CC1)NCc1ccccc1O ZINC000267328819 509449116 /nfs/dbraw/zinc/44/91/16/509449116.db2.gz OQIOMOPJTLBMHU-UHFFFAOYSA-N 0 0 359.392 2.856 20 10 FFCDRN O=C(/C=C/c1ccc(Cl)nc1)N1Cc2cnnn2Cc2ccccc21 ZINC000189303673 509509573 /nfs/dbraw/zinc/50/95/73/509509573.db2.gz IEHDNZIAFACVBS-SOFGYWHQSA-N 0 0 351.797 2.935 20 10 FFCDRN COc1cccc(CNC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1O ZINC000267511904 509522930 /nfs/dbraw/zinc/52/29/30/509522930.db2.gz IWMALZFHRSSTJX-IBGZPJMESA-N 0 0 364.442 2.664 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CC[C@@H]3CCOC3)cc2F)C[C@H](C)O1 ZINC000267515490 509525105 /nfs/dbraw/zinc/52/51/05/509525105.db2.gz DFXJGGYDIFNAAF-OWCLPIDISA-N 0 0 364.461 2.872 20 10 FFCDRN O=C([C@@H]1CSCCS1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000267536196 509532457 /nfs/dbraw/zinc/53/24/57/509532457.db2.gz YNKVSRJCABKUSH-ZBFHGGJFSA-N 0 0 353.509 2.748 20 10 FFCDRN C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(F)cc1[O-] ZINC000186141194 509542647 /nfs/dbraw/zinc/54/26/47/509542647.db2.gz 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510117207 /nfs/dbraw/zinc/11/72/07/510117207.db2.gz PEWTUUFKGHDORB-MRXNPFEDSA-N 0 0 364.453 2.637 20 10 FFCDRN CC(C)c1cnc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000190430687 510126364 /nfs/dbraw/zinc/12/63/64/510126364.db2.gz PZIPJWIVMZNUEZ-UHFFFAOYSA-N 0 0 372.494 2.904 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc2n[nH]cc21 ZINC000265603229 510135451 /nfs/dbraw/zinc/13/54/51/510135451.db2.gz MORNXAKZHCKPTR-UHFFFAOYSA-N 0 0 364.449 2.702 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000180896676 510171213 /nfs/dbraw/zinc/17/12/13/510171213.db2.gz ZUSDSHPSOFEMHE-VQHVLOKHSA-N 0 0 366.417 2.532 20 10 FFCDRN C[C@@H]1CCCN(C(=O)C2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)C1 ZINC000180927450 510186156 /nfs/dbraw/zinc/18/61/56/510186156.db2.gz VMMIAIYXYQZFMU-KEDPEKRHSA-N 0 0 372.465 2.608 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCOCC(F)(F)C(F)F)cc1F ZINC000190708233 510297702 /nfs/dbraw/zinc/29/77/02/510297702.db2.gz QKZNDLAFSAEUST-UHFFFAOYSA-N 0 0 354.319 2.815 20 10 FFCDRN Cc1nn(CC(=O)NCc2ccc(N(C)C)cc2)c2ccc([N+](=O)[O-])cc12 ZINC000269357060 510358713 /nfs/dbraw/zinc/35/87/13/510358713.db2.gz LSNUUVUXMWOCNO-UHFFFAOYSA-N 0 0 367.409 2.635 20 10 FFCDRN COc1ccc(N2CCN(Cc3nnc(C4CC4)n3C3CC3)CC2)cc1F ZINC000181420963 510400437 /nfs/dbraw/zinc/40/04/37/510400437.db2.gz WWWUGBSERRZZSI-UHFFFAOYSA-N 0 0 371.460 2.960 20 10 FFCDRN Cc1ccc(CS(=O)(=O)N2CCOc3cc(N(C)C)ccc32)c(F)c1 ZINC000194691684 510481086 /nfs/dbraw/zinc/48/10/86/510481086.db2.gz KXRXJGSOFGWJFQ-UHFFFAOYSA-N 0 0 364.442 2.929 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1ccsc1 ZINC000181590576 510488851 /nfs/dbraw/zinc/48/88/51/510488851.db2.gz YEKWXHSBAQTBPL-UHFFFAOYSA-N 0 0 353.827 2.851 20 10 FFCDRN Cc1cc([N+](=O)[O-])c(S(=O)(=O)N(C)Cc2ccccc2O)cc1C ZINC000269842322 510567797 /nfs/dbraw/zinc/56/77/97/510567797.db2.gz WBVUQFLYESWJKL-UHFFFAOYSA-N 0 0 350.396 2.738 20 10 FFCDRN COCc1cccc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)c1 ZINC000266509499 510630166 /nfs/dbraw/zinc/63/01/66/510630166.db2.gz 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CCCOc1cccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000276244022 510930482 /nfs/dbraw/zinc/93/04/82/510930482.db2.gz YOUJWFRRDPHKOB-ZDUSSCGKSA-N 0 0 372.421 2.573 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCn4cnnc4[C@@H]3C)ccc21 ZINC000276975786 510951050 /nfs/dbraw/zinc/95/10/50/510951050.db2.gz VGIXPFBENIAWEO-HNNXBMFYSA-N 0 0 367.453 2.713 20 10 FFCDRN CC(C)C(=O)N1CCCC[C@@H]1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000277194087 510956648 /nfs/dbraw/zinc/95/66/48/510956648.db2.gz NJSUNAQNMRGXCW-QGZVFWFLSA-N 0 0 359.470 2.515 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000277489746 510963871 /nfs/dbraw/zinc/96/38/71/510963871.db2.gz QIMJJUUEBBNALL-BNOWGMLFSA-N 0 0 369.259 2.912 20 10 FFCDRN COC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(Br)c1O ZINC000277569177 510966121 /nfs/dbraw/zinc/96/61/21/510966121.db2.gz QHXSIAVAURFIBJ-LBPRGKRZSA-N 0 0 373.247 2.542 20 10 FFCDRN CC(C)c1nnc([C@@H](C)NC(=O)C=Cc2ccc(N3CCOCC3)cc2)[nH]1 ZINC000270741007 510969297 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FFCDRN Cc1cc(C)nc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000278611721 511000131 /nfs/dbraw/zinc/00/01/31/511000131.db2.gz WCFBXZWIGFJUCC-UHFFFAOYSA-N 0 0 366.465 2.894 20 10 FFCDRN COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278860085 511012086 /nfs/dbraw/zinc/01/20/86/511012086.db2.gz LUFWQGFNRZUDMW-SJCJKPOMSA-N 0 0 352.387 2.521 20 10 FFCDRN COc1ccc(N2CCC(Nc3ccc(CNC(N)=O)cc3)CC2)cc1 ZINC000364675603 511013095 /nfs/dbraw/zinc/01/30/95/511013095.db2.gz LAVPIUDSUIYDPO-UHFFFAOYSA-N 0 0 354.454 2.944 20 10 FFCDRN Cc1cccnc1CNC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000285928791 511016805 /nfs/dbraw/zinc/01/68/05/511016805.db2.gz OSNDBQKNXYLQGI-UHFFFAOYSA-N 0 0 368.481 2.509 20 10 FFCDRN Cc1cc(C(=O)N[C@H](c2nncn2C)C(C)C)c(C)n1-c1ccccn1 ZINC000285909618 511016818 /nfs/dbraw/zinc/01/68/18/511016818.db2.gz DBSLPVNQKAEDHQ-KRWDZBQOSA-N 0 0 352.442 2.745 20 10 FFCDRN CCNC(=O)Nc1ccc(C)c(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000279041078 511017252 /nfs/dbraw/zinc/01/72/52/511017252.db2.gz XQTQSVJZRIQEIW-UHFFFAOYSA-N 0 0 372.425 2.912 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccoc3)CC2)cc1 ZINC000279068648 511018893 /nfs/dbraw/zinc/01/88/93/511018893.db2.gz ZXOBWAWIGUOWOC-UHFFFAOYSA-N 0 0 352.394 2.641 20 10 FFCDRN CC(C)(C)OC(=O)C1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000297672207 511029150 /nfs/dbraw/zinc/02/91/50/511029150.db2.gz ZXCFQPUUYGCLPR-UHFFFAOYSA-N 0 0 353.390 2.867 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2ncc[nH]2)cc1 ZINC000279289453 511032743 /nfs/dbraw/zinc/03/27/43/511032743.db2.gz XWWZBOMAWYHOBQ-GOSISDBHSA-N 0 0 356.470 2.616 20 10 FFCDRN CC(C)[C@H](NC(=O)NCc1c(O)ccc2c1CCCC2)c1nncn1C ZINC000286908986 511035423 /nfs/dbraw/zinc/03/54/23/511035423.db2.gz MDUWJFGHQCLLNA-KRWDZBQOSA-N 0 0 357.458 2.596 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnn(CCF)c2)cc1 ZINC000286917461 511036037 /nfs/dbraw/zinc/03/60/37/511036037.db2.gz AWVRETRHBABIQX-IBGZPJMESA-N 0 0 374.460 2.740 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccccc1OC1CC1 ZINC000287067679 511039657 /nfs/dbraw/zinc/03/96/57/511039657.db2.gz JRRNXZBSRDYYSY-UHFFFAOYSA-N 0 0 352.434 2.994 20 10 FFCDRN CC[C@H](NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000287382330 511048081 /nfs/dbraw/zinc/04/80/81/511048081.db2.gz QUEXJLLIFVXCTA-IBGZPJMESA-N 0 0 368.481 2.764 20 10 FFCDRN CCNC(=O)C[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287453146 511050011 /nfs/dbraw/zinc/05/00/11/511050011.db2.gz GPWJFIJLRPUPFS-IBGZPJMESA-N 0 0 372.513 2.877 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@]2(CNC(=O)C2)C1 ZINC000279352968 511055283 /nfs/dbraw/zinc/05/52/83/511055283.db2.gz CAECXDNHZIXIEF-NRFANRHFSA-N 0 0 351.450 2.755 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnn(CCF)c1 ZINC000287854515 511059237 /nfs/dbraw/zinc/05/92/37/511059237.db2.gz CMCYWRSVQYQNMO-UHFFFAOYSA-N 0 0 370.222 2.983 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CCn3ccnn3)cc2Cl)C1 ZINC000282713051 511083560 /nfs/dbraw/zinc/08/35/60/511083560.db2.gz RAYDVQJRUTZWAF-CQSZACIVSA-N 0 0 361.877 2.874 20 10 FFCDRN COc1ccc(N2CCN(Cc3cnc(C4OCCO4)s3)CC2)cc1 ZINC000289062818 511093003 /nfs/dbraw/zinc/09/30/03/511093003.db2.gz JGWBGGSZIYSLTN-UHFFFAOYSA-N 0 0 361.467 2.519 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)sn1 ZINC000289146923 511094537 /nfs/dbraw/zinc/09/45/37/511094537.db2.gz ITTSDCMQKNGKKE-UHFFFAOYSA-N 0 0 360.483 2.893 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2ccc(C)n(C)c2=O)cc1 ZINC000279477513 511096771 /nfs/dbraw/zinc/09/67/71/511096771.db2.gz KLFANNYEMJEMIB-UHFFFAOYSA-N 0 0 356.470 2.539 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1C[C@@H]2COC[C@H](C1)C2=O ZINC000364826004 511100225 /nfs/dbraw/zinc/10/02/25/511100225.db2.gz JYPJWELAHSHIQM-YQQQUEKLSA-N 0 0 370.493 2.877 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2C[C@H](c3ccccc3)OC2=O)cc1F ZINC000289525900 511102843 /nfs/dbraw/zinc/10/28/43/511102843.db2.gz DYEBYJHDQPKFSH-CRAIPNDOSA-N 0 0 356.397 2.812 20 10 FFCDRN Cc1nc2ccc(NC(=O)NCc3ccc(N4CCCC4)cc3)cn2n1 ZINC000289573683 511105344 /nfs/dbraw/zinc/10/53/44/511105344.db2.gz GWLPWCXIXMZACL-UHFFFAOYSA-N 0 0 350.426 2.960 20 10 FFCDRN CCSCCCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000282780485 511108844 /nfs/dbraw/zinc/10/88/44/511108844.db2.gz INMHWPUIZRIRQG-UHFFFAOYSA-N 0 0 369.506 2.729 20 10 FFCDRN CN(C)c1ccc(CN(C)Cc2ccc(S(C)(=O)=O)cc2)cc1F ZINC000271180159 511109921 /nfs/dbraw/zinc/10/99/21/511109921.db2.gz HLTDTWWQRUNXDL-UHFFFAOYSA-N 0 0 350.459 2.927 20 10 FFCDRN COCCCn1nccc1C[NH2+]Cc1cccc(Br)c1[O-] ZINC000282809190 511119733 /nfs/dbraw/zinc/11/97/33/511119733.db2.gz OCLSPRDWBDAOOY-UHFFFAOYSA-N 0 0 354.248 2.678 20 10 FFCDRN CCN(C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)[C@H](C)c1cccnc1 ZINC000298018669 511144347 /nfs/dbraw/zinc/14/43/47/511144347.db2.gz TZHAJBNEVIUVSW-MRXNPFEDSA-N 0 0 368.481 2.716 20 10 FFCDRN CC(C)CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCC1 ZINC000271296518 511153327 /nfs/dbraw/zinc/15/33/27/511153327.db2.gz QDXXAEJPFUFCPL-UHFFFAOYSA-N 0 0 354.472 2.805 20 10 FFCDRN Cc1cnn([C@H]2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)c1 ZINC000291401238 511183548 /nfs/dbraw/zinc/18/35/48/511183548.db2.gz XGBIFZRUHVBWOD-SFHVURJKSA-N 0 0 353.470 2.731 20 10 FFCDRN C[C@@H](c1cccs1)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298251643 511224155 /nfs/dbraw/zinc/22/41/55/511224155.db2.gz LJBGJFYNVPQBOP-AWEZNQCLSA-N 0 0 359.495 2.992 20 10 FFCDRN CCOCc1nc([C@@H](C)NC(=O)NCc2c(O)ccc3c2CCCC3)no1 ZINC000291507132 511224918 /nfs/dbraw/zinc/22/49/18/511224918.db2.gz QFKWAASXIZIGSH-GFCCVEGCSA-N 0 0 374.441 2.751 20 10 FFCDRN Cc1nc(C2(NCC(=O)NCc3ccc(N(C)C)cc3)CCCCC2)no1 ZINC000298341708 511252317 /nfs/dbraw/zinc/25/23/17/511252317.db2.gz DXKYBINNEWCBMM-UHFFFAOYSA-N 0 0 371.485 2.509 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CSc1nnnn1C1CC1 ZINC000298347285 511252747 /nfs/dbraw/zinc/25/27/47/511252747.db2.gz SGKJGYMYHVTFTL-UHFFFAOYSA-N 0 0 374.514 2.603 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCC1(N2CCOCC2)CC1 ZINC000283179726 511266597 /nfs/dbraw/zinc/26/65/97/511266597.db2.gz JSSADWAGWAAMKB-UHFFFAOYSA-N 0 0 361.486 2.569 20 10 FFCDRN Cc1ccc(N)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000279944532 511275704 /nfs/dbraw/zinc/27/57/04/511275704.db2.gz RSRCFRHMXNBDPU-UHFFFAOYSA-N 0 0 353.466 2.716 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccc(CNC(N)=O)cc2)C2CC2)cc1 ZINC000298420628 511278821 /nfs/dbraw/zinc/27/88/21/511278821.db2.gz ZEWDYKXYCWWJMY-UHFFFAOYSA-N 0 0 366.465 2.726 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CCC(=O)c2ccccc21 ZINC000283238317 511289688 /nfs/dbraw/zinc/28/96/88/511289688.db2.gz AMKORDCTFMCDNN-FQEVSTJZSA-N 0 0 364.445 2.900 20 10 FFCDRN CCOC(=O)c1scnc1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000279985415 511291449 /nfs/dbraw/zinc/29/14/49/511291449.db2.gz FZYKASINAZQDJI-FLIBITNWSA-N 0 0 351.453 2.776 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)Nc2cc(C(C)(C)C)no2)s1 ZINC000295152135 511300721 /nfs/dbraw/zinc/30/07/21/511300721.db2.gz FJZOBMNBTWLHOU-UHFFFAOYSA-N 0 0 355.441 2.946 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCc2ncnn2C(C)(C)C)C2CC2)cc1 ZINC000283319130 511319949 /nfs/dbraw/zinc/31/99/49/511319949.db2.gz YOPUQUUEQUGVIF-UHFFFAOYSA-N 0 0 370.501 2.973 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CS(=O)(=O)C1CCCC1 ZINC000298593751 511340490 /nfs/dbraw/zinc/34/04/90/511340490.db2.gz CNARKJWCHWMCDT-UHFFFAOYSA-N 0 0 366.527 2.847 20 10 FFCDRN C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295263419 511342658 /nfs/dbraw/zinc/34/26/58/511342658.db2.gz HSZGKLSKNRHGJY-LBPRGKRZSA-N 0 0 359.401 2.587 20 10 FFCDRN C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295263408 511342707 /nfs/dbraw/zinc/34/27/07/511342707.db2.gz HSZGKLSKNRHGJY-GFCCVEGCSA-N 0 0 359.401 2.587 20 10 FFCDRN Cc1nn2c(nc(C)cc2C)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298669597 511369930 /nfs/dbraw/zinc/36/99/30/511369930.db2.gz FHNKBSJWRQRGAY-UHFFFAOYSA-N 0 0 351.454 2.993 20 10 FFCDRN COC(=O)C12CCC(C(=O)N3CCOc4cc(N(C)C)ccc43)(CC1)C2 ZINC000365428651 511446602 /nfs/dbraw/zinc/44/66/02/511446602.db2.gz ONLQIJRHQDDDPB-UHFFFAOYSA-N 0 0 358.438 2.602 20 10 FFCDRN CO[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000280406366 511454703 /nfs/dbraw/zinc/45/47/03/511454703.db2.gz LCSOEPIYEPRAEO-XJKSGUPXSA-N 0 0 354.397 2.798 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(CNC(N)=O)cc1 ZINC000298952312 511462851 /nfs/dbraw/zinc/46/28/51/511462851.db2.gz IEGGAXFHYLTNPY-UHFFFAOYSA-N 0 0 368.481 2.972 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(Cl)cc2)cc1 ZINC000283698463 511465944 /nfs/dbraw/zinc/46/59/44/511465944.db2.gz IBTFPSSDOSCYEM-UHFFFAOYSA-N 0 0 359.857 2.681 20 10 FFCDRN CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000272258154 511482705 /nfs/dbraw/zinc/48/27/05/511482705.db2.gz AJIUWYUDERZVBO-UHFFFAOYSA-N 0 0 373.428 2.934 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1nn(C)cc1C(=O)OCC ZINC000272284123 511490068 /nfs/dbraw/zinc/49/00/68/511490068.db2.gz AMZDRRZIKJOALC-UHFFFAOYSA-N 0 0 360.414 2.747 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](CO)c2cnn(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000272314639 511490913 /nfs/dbraw/zinc/49/09/13/511490913.db2.gz IQINFNQMHPDIFN-SFHVURJKSA-N 0 0 372.856 2.944 20 10 FFCDRN COc1cc2c(cc1CNC(=O)/C=C/c1ccc(O)c(O)c1)O[C@H](C)C2 ZINC000272376557 511492231 /nfs/dbraw/zinc/49/22/31/511492231.db2.gz FCXXEVFWGFNLRO-FVOPLDGLSA-N 0 0 355.390 2.759 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000299052189 511498632 /nfs/dbraw/zinc/49/86/32/511498632.db2.gz PEDAVFNJQXKXIQ-AWEZNQCLSA-N 0 0 360.483 2.676 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc2c(c1)CCO2 ZINC000299095479 511514010 /nfs/dbraw/zinc/51/40/10/511514010.db2.gz KOUMYJXDASGKCB-UHFFFAOYSA-N 0 0 353.422 2.780 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(Cn3cccn3)on2)cc1 ZINC000292239470 511518030 /nfs/dbraw/zinc/51/80/30/511518030.db2.gz SPWPJRGAEHBKCH-UHFFFAOYSA-N 0 0 353.426 2.696 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCCc2occc21 ZINC000283877346 511530885 /nfs/dbraw/zinc/53/08/85/511530885.db2.gz CATYDDGZQLAMDM-GOSISDBHSA-N 0 0 367.449 2.690 20 10 FFCDRN Cc1nn(C)c(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1[N+](=O)[O-] ZINC000299168640 511538335 /nfs/dbraw/zinc/53/83/35/511538335.db2.gz SCXKWMCWNZWQPF-UHFFFAOYSA-N 0 0 359.430 2.754 20 10 FFCDRN CCN(Cc1ccccn1)C(=O)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000283923110 511545432 /nfs/dbraw/zinc/54/54/32/511545432.db2.gz HCELUWMQWBSRKR-UHFFFAOYSA-N 0 0 368.481 2.593 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](N2CCNC2=O)C1 ZINC000363438847 511552059 /nfs/dbraw/zinc/55/20/59/511552059.db2.gz VFIVJBVHDUXADC-OAHLLOKOSA-N 0 0 372.494 2.785 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)Cc2cc(F)cc3c2OCOC3)cc1 ZINC000273785376 511607451 /nfs/dbraw/zinc/60/74/51/511607451.db2.gz GIDKYGHENJTSHL-UHFFFAOYSA-N 0 0 358.413 2.959 20 10 FFCDRN CC1(C)CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@]2(CCOC2)O1 ZINC000280803408 511607708 /nfs/dbraw/zinc/60/77/08/511607708.db2.gz HLYNWNUXHYCIKL-NRFANRHFSA-N 0 0 371.481 2.542 20 10 FFCDRN Cc1cc(C(=O)NCC2(S(C)(=O)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000280846835 511626094 /nfs/dbraw/zinc/62/60/94/511626094.db2.gz USCHUBAAOAQGND-UHFFFAOYSA-N 0 0 360.479 2.710 20 10 FFCDRN Cc1c(Cl)cncc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000296145866 511634883 /nfs/dbraw/zinc/63/48/83/511634883.db2.gz XDWVPDUQIVZXTR-UHFFFAOYSA-N 0 0 372.856 2.899 20 10 FFCDRN COc1c([O-])c(C[NH+]2CCC(n3cc(Cl)cn3)CC2)ccc1[N+](=O)[O-] ZINC000365798448 511658174 /nfs/dbraw/zinc/65/81/74/511658174.db2.gz UYUIMBMOKAKHEZ-UHFFFAOYSA-N 0 0 366.805 2.996 20 10 FFCDRN CC[C@H](C)NC(=O)c1cccc(CNC(=O)NCc2ccccc2O)c1 ZINC000299534033 511660987 /nfs/dbraw/zinc/66/09/87/511660987.db2.gz SVNNRFPDICGCHL-AWEZNQCLSA-N 0 0 355.438 2.920 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CSC(=S)N2CCCC2)cc1 ZINC000299529434 511660990 /nfs/dbraw/zinc/66/09/90/511660990.db2.gz QOMSYNHTNJFFBA-UHFFFAOYSA-N 0 0 351.541 2.825 20 10 FFCDRN COc1ccc2c(c1)OCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000365806518 511662079 /nfs/dbraw/zinc/66/20/79/511662079.db2.gz OYOLXMGTOKLRTI-AWEZNQCLSA-N 0 0 360.366 2.931 20 10 FFCDRN CCCCOc1ccc(C(=O)NCC(=O)NCc2ccccc2O)cc1 ZINC000299541061 511662732 /nfs/dbraw/zinc/66/27/32/511662732.db2.gz JFFZHWFRDUZSJQ-UHFFFAOYSA-N 0 0 356.422 2.617 20 10 FFCDRN Cc1ncncc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000299689461 511666872 /nfs/dbraw/zinc/66/68/72/511666872.db2.gz VLHYHGQGRXGVEI-GOSISDBHSA-N 0 0 354.454 2.672 20 10 FFCDRN Cc1c(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cnn1C ZINC000292642547 511670516 /nfs/dbraw/zinc/67/05/16/511670516.db2.gz JNMHBQPKFYRDLL-FQEVSTJZSA-N 0 0 370.497 2.545 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc[nH]c1C1CC1 ZINC000284344981 511691345 /nfs/dbraw/zinc/69/13/45/511691345.db2.gz MNUVRCIHIATFSI-UHFFFAOYSA-N 0 0 357.429 2.922 20 10 FFCDRN O=[N+]([O-])c1cc(Br)cnc1NCCc1ccc(O)c(O)c1 ZINC000301682160 511698891 /nfs/dbraw/zinc/69/88/91/511698891.db2.gz KAJFRPBWBHHHPK-UHFFFAOYSA-N 0 0 354.160 2.818 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)c2cc(Cl)nc(N)n2)cc1 ZINC000301869660 511703650 /nfs/dbraw/zinc/70/36/50/511703650.db2.gz WGDPSNXPNJPKIS-OAHLLOKOSA-N 0 0 361.877 2.964 20 10 FFCDRN CCOC(=O)c1cccnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000302174754 511706387 /nfs/dbraw/zinc/70/63/87/511706387.db2.gz VVMLPBFDGNRBGD-UHFFFAOYSA-N 0 0 359.401 2.733 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)COCc1ccnn1C ZINC000284430806 511720783 /nfs/dbraw/zinc/72/07/83/511720783.db2.gz GGLHUJQOZQJUAB-UHFFFAOYSA-N 0 0 356.470 2.586 20 10 FFCDRN COc1nccc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000296423137 511737066 /nfs/dbraw/zinc/73/70/66/511737066.db2.gz MSHMETLPNYZLHS-KBPBESRZSA-N 0 0 360.433 2.528 20 10 FFCDRN COc1ccc(O)c(CNc2ccc(O[C@H]3CCN(C)C3=O)cc2C)c1 ZINC000281157953 511741280 /nfs/dbraw/zinc/74/12/80/511741280.db2.gz FXIDTCNLXDXOKV-IBGZPJMESA-N 0 0 356.422 2.931 20 10 FFCDRN Cc1c(Cl)cncc1NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000296477125 511759102 /nfs/dbraw/zinc/75/91/02/511759102.db2.gz HYJARUSOKKOAED-UHFFFAOYSA-N 0 0 372.856 2.681 20 10 FFCDRN CN1C[C@@H](C(=O)NCc2c(O)ccc3c2CCCC3)c2ccccc2C1=O ZINC000366046198 511806440 /nfs/dbraw/zinc/80/64/40/511806440.db2.gz ZMAJFIISVHUBBR-LJQANCHMSA-N 0 0 364.445 2.757 20 10 FFCDRN COc1ccccc1NC(=O)C1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000366071924 511823215 /nfs/dbraw/zinc/82/32/15/511823215.db2.gz GKXKKDOGTPNGOO-UHFFFAOYSA-N 0 0 370.405 2.597 20 10 FFCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCCc1cnn(C)n1 ZINC000296660917 511840718 /nfs/dbraw/zinc/84/07/18/511840718.db2.gz OMVGPPXDPVYDFL-UHFFFAOYSA-N 0 0 366.263 2.949 20 10 FFCDRN Nc1ccc(CNC(=O)CCCOc2ccc3c(c2)CCC(=O)N3)cc1 ZINC000296813846 511908197 /nfs/dbraw/zinc/90/81/97/511908197.db2.gz AESNINXZNDELNM-UHFFFAOYSA-N 0 0 353.422 2.629 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(c3nccs3)CC2)c1 ZINC000281632860 511915373 /nfs/dbraw/zinc/91/53/73/511915373.db2.gz OKFGARCZGNHISX-LBPRGKRZSA-N 0 0 361.467 2.955 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccccc2NC(C)(C)C)c1O ZINC000281635453 511916746 /nfs/dbraw/zinc/91/67/46/511916746.db2.gz GMWKIDYDXJKEBZ-UHFFFAOYSA-N 0 0 371.437 2.866 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(OC)ccc1OC ZINC000274851377 511964365 /nfs/dbraw/zinc/96/43/65/511964365.db2.gz UKZCXJDKOUBCCI-UHFFFAOYSA-N 0 0 372.421 2.787 20 10 FFCDRN C[N@H+](CCCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000281800457 511972193 /nfs/dbraw/zinc/97/21/93/511972193.db2.gz OZBAFCUOHSZJET-UHFFFAOYSA-N 0 0 353.054 2.731 20 10 FFCDRN COC(=O)C12CCC(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)(CC1)CC2 ZINC000293487326 511982614 /nfs/dbraw/zinc/98/26/14/511982614.db2.gz NQPVTEQQCKOHFW-JYMLRBTQSA-N 0 0 361.438 2.659 20 10 FFCDRN COc1cc(N2CCN(C(=O)[C@@H](C)C(C)(F)F)CC2)cc(OC)c1OC ZINC000293618765 512028809 /nfs/dbraw/zinc/02/88/09/512028809.db2.gz WYOUGHFAESWQBT-GFCCVEGCSA-N 0 0 372.412 2.652 20 10 FFCDRN CN1C(=O)C[C@@H](C(=O)NCc2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000297145978 512036374 /nfs/dbraw/zinc/03/63/74/512036374.db2.gz IMIGEIYFCCSLTF-AEFFLSMTSA-N 0 0 357.841 2.758 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccnc(OC(F)F)c2)cc1 ZINC000285218002 512042368 /nfs/dbraw/zinc/04/23/68/512042368.db2.gz MKLWQULYEIOLAW-UHFFFAOYSA-N 0 0 350.369 2.748 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)c(C)n1-c1ccccc1C ZINC000293833600 512094147 /nfs/dbraw/zinc/09/41/47/512094147.db2.gz VYNRQMIMDRUSOO-QGZVFWFLSA-N 0 0 374.506 2.909 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCc2nc(C)ncc2C1 ZINC000373932448 512577260 /nfs/dbraw/zinc/57/72/60/512577260.db2.gz HZBDGWDHMDAMRP-SFHVURJKSA-N 0 0 367.497 2.940 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@]3(CCCOC3)C2)c1O ZINC000367660171 512604412 /nfs/dbraw/zinc/60/44/12/512604412.db2.gz YOVPSLVJHAZKIX-MRXNPFEDSA-N 0 0 372.259 2.545 20 10 FFCDRN CC[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(F)cc1[O-] ZINC000367722653 512632074 /nfs/dbraw/zinc/63/20/74/512632074.db2.gz BNFAZPGPCISAJB-AEFFLSMTSA-N 0 0 354.491 2.780 20 10 FFCDRN CCn1nc(C)c(CC(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1C ZINC000367829051 512679832 /nfs/dbraw/zinc/67/98/32/512679832.db2.gz IQNLRFFMNMNFPH-UHFFFAOYSA-N 0 0 370.497 2.810 20 10 FFCDRN COC(=O)C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc21 ZINC000367915132 512721547 /nfs/dbraw/zinc/72/15/47/512721547.db2.gz CHYWTDQYYPPZOH-RCQQVGEISA-N 0 0 353.374 2.805 20 10 FFCDRN CO[C@H]1CCN2C(=O)N(Cc3ccc(N4CCC(C)CC4)cc3)C(=O)[C@@H]2C1 ZINC000372865805 513079718 /nfs/dbraw/zinc/07/97/18/513079718.db2.gz LWQXYYUJZPEGPT-OALUTQOASA-N 0 0 371.481 2.865 20 10 FFCDRN COc1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)nc1 ZINC000462014922 514832310 /nfs/dbraw/zinc/83/23/10/514832310.db2.gz JBFVCOXIWSECKD-UHFFFAOYSA-N 0 0 353.403 2.559 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1nnc2n1CCCCC2 ZINC000471545753 514923974 /nfs/dbraw/zinc/92/39/74/514923974.db2.gz HBZPBLXMOZYONQ-UHFFFAOYSA-N 0 0 366.469 2.804 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNc1ccc2nnc(C(F)(F)F)n2n1 ZINC000480515394 514983621 /nfs/dbraw/zinc/98/36/21/514983621.db2.gz XRWVJAZNCQFELJ-UHFFFAOYSA-N 0 0 360.343 2.977 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@H](O)Cc1ccccc1 ZINC000472222743 515175211 /nfs/dbraw/zinc/17/52/11/515175211.db2.gz NXODVRYKKXHUJK-QGZVFWFLSA-N 0 0 351.450 2.890 20 10 FFCDRN CCN(C[C@H](O)C(F)(F)F)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472234605 515179041 /nfs/dbraw/zinc/17/90/41/515179041.db2.gz WBMMMPIIISROJV-HNNXBMFYSA-N 0 0 357.376 2.941 20 10 FFCDRN CC(=O)c1cccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000472790611 515398125 /nfs/dbraw/zinc/39/81/25/515398125.db2.gz QLVBMJATKAXILW-UHFFFAOYSA-N 0 0 363.417 2.944 20 10 FFCDRN CN(C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccn(C)n1 ZINC000478618178 515895727 /nfs/dbraw/zinc/89/57/27/515895727.db2.gz HVTWTXNQRWZPRB-UHFFFAOYSA-N 0 0 358.405 2.944 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc3cccnc3c2O)nn1C1CCOCC1 ZINC000529501202 517182441 /nfs/dbraw/zinc/18/24/41/517182441.db2.gz LFCVUEMCUNBGKH-UHFFFAOYSA-N 0 0 366.421 2.727 20 10 FFCDRN CS(=O)(=O)c1ccc(N2CC=C(c3c[nH]c4ncccc34)CC2)nc1 ZINC000552906855 517438680 /nfs/dbraw/zinc/43/86/80/517438680.db2.gz DEENZIOUWHQCRL-UHFFFAOYSA-N 0 0 354.435 2.655 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000527452256 517684997 /nfs/dbraw/zinc/68/49/97/517684997.db2.gz PYXWKGOYHBMTBQ-MRXNPFEDSA-N 0 0 363.465 2.960 20 10 FFCDRN Cc1cnc(C)nc1N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000572662218 518299524 /nfs/dbraw/zinc/29/95/24/518299524.db2.gz CLKASKHLAFGDQW-UHFFFAOYSA-N 0 0 362.433 2.916 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@H](C)c1ccncc1 ZINC000572674425 518305875 /nfs/dbraw/zinc/30/58/75/518305875.db2.gz KHRFPZQCURULRP-OAHLLOKOSA-N 0 0 364.449 2.718 20 10 FFCDRN CC(=O)c1ccc(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)[nH]1 ZINC000583276683 519165237 /nfs/dbraw/zinc/16/52/37/519165237.db2.gz MQUGUOOZGZREOC-UHFFFAOYSA-N 0 0 353.403 2.686 20 10 FFCDRN COC(=O)Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000611816010 521348579 /nfs/dbraw/zinc/34/85/79/521348579.db2.gz UKPSUWVGGITOQK-UHFFFAOYSA-N 0 0 369.421 2.899 20 10 FFCDRN C[C@@H]([NH2+]C1CCC(C(=O)[O-])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000820136114 598164522 /nfs/dbraw/zinc/16/45/22/598164522.db2.gz GRDVYKYNCIJZJL-VQCLRJIVSA-N 0 0 350.434 2.956 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738397037 598465999 /nfs/dbraw/zinc/46/59/99/598465999.db2.gz MRKOIYQICDPURI-UHFFFAOYSA-N 0 0 360.215 2.625 20 10 FFCDRN CC[C@H](C)[C@@H](NC(=O)C[N@H+](Cc1ccccc1O)C1CCCC1)C(=O)[O-] ZINC000736880438 600219110 /nfs/dbraw/zinc/21/91/10/600219110.db2.gz WXVVRBXMRMWAIU-IFXJQAMLSA-N 0 0 362.470 2.752 20 10 FFCDRN O=C([O-])N1CCC[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000739925449 603245907 /nfs/dbraw/zinc/24/59/07/603245907.db2.gz AVIOLTFJLGEGPR-HNNXBMFYSA-N 0 0 362.430 2.817 20 10 FFCDRN C[C@H]([NH2+][C@@H](CNC(=O)[O-])C1CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000825471939 604359332 /nfs/dbraw/zinc/35/93/32/604359332.db2.gz DLFLMMFKOKNHFO-SJCJKPOMSA-N 0 0 367.877 2.873 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(=O)[O-])cc1F ZINC000833695156 604751382 /nfs/dbraw/zinc/75/13/82/604751382.db2.gz JCVDWNWPOPVJLI-UHFFFAOYSA-N 0 0 358.413 2.993 20 10 FFCDRN C[C@H]([NH2+]C1CCN(C(=O)[O-])CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000825478153 604980598 /nfs/dbraw/zinc/98/05/98/604980598.db2.gz FFUCKDKLILQCHM-ZDUSSCGKSA-N 0 0 367.877 2.970 20 10 FFCDRN CCOc1ccc(-c2nn[nH]n2)cc1NCc1cccc(OCC)c1O ZINC000825632464 609477156 /nfs/dbraw/zinc/47/71/56/609477156.db2.gz SWJVHEGJGFBEIT-UHFFFAOYSA-N 0 0 355.398 2.982 20 10 FFCDRN O=C(CCNC(=O)NCCCSc1nccs1)NC1CCCCC1 ZINC000152632282 728762526 /nfs/dbraw/zinc/76/25/26/728762526.db2.gz IFYMBBMDMLRBEG-UHFFFAOYSA-N 0 0 370.544 2.764 20 10 FFCDRN C[C@@H](NC(=O)NCCCSc1nccs1)C(=O)N1CCCC[C@@H]1C ZINC000153721968 728786537 /nfs/dbraw/zinc/78/65/37/728786537.db2.gz UUFCVYLWJMTZFL-QWHCGFSZSA-N 0 0 370.544 2.714 20 10 FFCDRN Cc1cc(C(=O)NC[C@H]2CCCS2(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000153757095 728787343 /nfs/dbraw/zinc/78/73/43/728787343.db2.gz YJDOIPSKJKGARZ-QGZVFWFLSA-N 0 0 360.479 2.710 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000157851080 728878406 /nfs/dbraw/zinc/87/84/06/728878406.db2.gz UONAQNIGTHCBTR-HNNXBMFYSA-N 0 0 356.205 2.797 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cnc(Cl)c(C)c2)c1 ZINC000161164202 728929668 /nfs/dbraw/zinc/92/96/68/728929668.db2.gz ZLEFJNYUSDYEOU-SNVBAGLBSA-N 0 0 356.831 2.797 20 10 FFCDRN O=C(Cn1cc(Br)cn1)NCc1c(O)ccc2c1CCCC2 ZINC000743715956 735317217 /nfs/dbraw/zinc/31/72/17/735317217.db2.gz FYUYINODQHCATN-UHFFFAOYSA-N 0 0 364.243 2.546 20 10 FFCDRN COC[C@@](C)(O)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000743771359 735318859 /nfs/dbraw/zinc/31/88/59/735318859.db2.gz GTMMPGJCXAEPLJ-IBGZPJMESA-N 0 0 364.873 2.804 20 10 FFCDRN CC(C)(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000744372175 735351724 /nfs/dbraw/zinc/35/17/24/735351724.db2.gz BAPKPTHLGMNFRH-GFCCVEGCSA-N 0 0 354.397 2.988 20 10 FFCDRN O=C(NC[C@@H](O)C(F)(F)C(F)(F)F)c1cc2cc(O)c(O)cc2s1 ZINC000899229022 735462634 /nfs/dbraw/zinc/46/26/34/735462634.db2.gz OMANWKPXAUKPGH-SNVBAGLBSA-N 0 0 371.283 2.601 20 10 FFCDRN CC(=O)CSCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000746139227 735465334 /nfs/dbraw/zinc/46/53/34/735465334.db2.gz PGTFPYKZTUWWAT-UHFFFAOYSA-N 0 0 353.399 2.723 20 10 FFCDRN Cc1cc(C(=O)Cn2cc(Cl)c(=O)[nH]c2=O)c(C)n1-c1ccccc1 ZINC000746140405 735465599 /nfs/dbraw/zinc/46/55/99/735465599.db2.gz WAJRLADIMCIGDK-UHFFFAOYSA-N 0 0 357.797 2.893 20 10 FFCDRN O=C1N=C(N2CCCCC2)S/C1=C/c1ccnc(-c2ccccn2)n1 ZINC000899342544 735477740 /nfs/dbraw/zinc/47/77/40/735477740.db2.gz ZJFQEQUFDIBNMC-NTCAYCPXSA-N 0 0 351.435 2.995 20 10 FFCDRN CC(=O)Nc1ccc(F)c(NS(=O)(=O)c2cccc3nsnc32)c1 ZINC000044260093 727984693 /nfs/dbraw/zinc/98/46/93/727984693.db2.gz HTQIZUIOVTYVLI-UHFFFAOYSA-N 0 0 366.399 2.590 20 10 FFCDRN CCc1nc(NC(=O)CN2CCOc3cc(N(C)C)ccc32)sc1C ZINC000746496373 735488647 /nfs/dbraw/zinc/48/86/47/735488647.db2.gz HQTBLNMFULYWLA-UHFFFAOYSA-N 0 0 360.483 2.917 20 10 FFCDRN O=C(CSc1nccs1)Nc1ccccc1S(=O)(=O)C(F)F ZINC000055280817 728095833 /nfs/dbraw/zinc/09/58/33/728095833.db2.gz BYLLRXHHWXMHRZ-UHFFFAOYSA-N 0 0 364.420 2.870 20 10 FFCDRN CC(C)n1cnnc1SCC(=O)NCc1ccc2c(c1)CCCN2C ZINC000060214983 728119167 /nfs/dbraw/zinc/11/91/67/728119167.db2.gz HNAGFXSOWCEMKW-UHFFFAOYSA-N 0 0 359.499 2.650 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc[nH]1 ZINC000077281880 728273114 /nfs/dbraw/zinc/27/31/14/728273114.db2.gz XXXGBYBWDKTGIH-UHFFFAOYSA-N 0 0 353.344 2.800 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCN(CC(F)(F)C(F)F)CC2)c1O ZINC000079435474 728312914 /nfs/dbraw/zinc/31/29/14/728312914.db2.gz AQPAKVTYOXTPQG-UHFFFAOYSA-N 0 0 366.330 2.752 20 10 FFCDRN COCCN(Cc1cc(Br)cc(OC)c1O)CC(F)F ZINC000092965876 728472494 /nfs/dbraw/zinc/47/24/94/728472494.db2.gz LKDMYZZXJUYCBO-UHFFFAOYSA-N 0 0 354.191 2.877 20 10 FFCDRN O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)NC1CCOCC1 ZINC000102768006 728492408 /nfs/dbraw/zinc/49/24/08/728492408.db2.gz JALYDBWICHGBCO-UHFFFAOYSA-N 0 0 358.360 2.633 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)CCc2ccsc2)cc1 ZINC000104990438 728503972 /nfs/dbraw/zinc/50/39/72/728503972.db2.gz VHGGIZZDJPQHSB-UHFFFAOYSA-N 0 0 360.479 2.949 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCn2c(C)c(C)sc2=O)c1 ZINC000118785909 728584598 /nfs/dbraw/zinc/58/45/98/728584598.db2.gz RLYNIHXNKREYJK-SNVBAGLBSA-N 0 0 350.440 2.508 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@]12CCC(=O)N1c1ccccc1S2 ZINC000120259621 728608845 /nfs/dbraw/zinc/60/88/45/728608845.db2.gz AVPZDIRQQWBAJY-LJQANCHMSA-N 0 0 354.431 2.980 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@@H]3CSCCS3)CC2)cc1F ZINC000120673945 728614121 /nfs/dbraw/zinc/61/41/21/728614121.db2.gz MFMMSZFCSHNWKO-CQSZACIVSA-N 0 0 370.515 2.722 20 10 FFCDRN COCCN(C(C)=O)c1nc(CN(C)c2ccc(OC)c(F)c2)cs1 ZINC000121716281 728637627 /nfs/dbraw/zinc/63/76/27/728637627.db2.gz JIAIEEYFMRFJCZ-UHFFFAOYSA-N 0 0 367.446 2.927 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCCc2c(F)cccc2F)cc1F ZINC000121831375 728640087 /nfs/dbraw/zinc/64/00/87/728640087.db2.gz IQANSTGLKJDXMF-UHFFFAOYSA-N 0 0 352.356 2.908 20 10 FFCDRN O=C(Cc1cccc(Br)c1)NCCc1ccc(O)c(O)c1 ZINC000122856817 728652489 /nfs/dbraw/zinc/65/24/89/728652489.db2.gz WSFLMIRYRDXZBM-UHFFFAOYSA-N 0 0 350.212 2.762 20 10 FFCDRN C[C@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)N1CCSCC1 ZINC000124157395 728667367 /nfs/dbraw/zinc/66/73/67/728667367.db2.gz OYVBSHOFRFUTTL-OAHLLOKOSA-N 0 0 360.479 2.951 20 10 FFCDRN O=C(CSc1ccc(O)cc1)NCc1ccc(N2CCOCC2)cc1 ZINC000131054943 728721354 /nfs/dbraw/zinc/72/13/54/728721354.db2.gz UVSJMJNFIYXNNR-UHFFFAOYSA-N 0 0 358.463 2.637 20 10 FFCDRN O=C1[C@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCN1C1CCCCC1 ZINC000131555183 728722555 /nfs/dbraw/zinc/72/25/55/728722555.db2.gz VVHDMHYAANDOOE-CQSZACIVSA-N 0 0 367.833 2.977 20 10 FFCDRN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000132361375 728724366 /nfs/dbraw/zinc/72/43/66/728724366.db2.gz QDLNTNUEQXQHHE-UHFFFAOYSA-N 0 0 367.402 2.587 20 10 FFCDRN COc1ccc(N2CCN(Cn3ncn(C4CC4)c3=S)CC2)cc1F ZINC000132823611 728725458 /nfs/dbraw/zinc/72/54/58/728725458.db2.gz ONONBJVADOMBPW-UHFFFAOYSA-N 0 0 363.462 2.676 20 10 FFCDRN Cc1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1Cl ZINC000134613925 728731437 /nfs/dbraw/zinc/73/14/37/728731437.db2.gz ZFENMHOBBRHSTM-LLVKDONJSA-N 0 0 362.813 2.746 20 10 FFCDRN CCN(Cc1ccccc1C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000135225912 728736546 /nfs/dbraw/zinc/73/65/46/728736546.db2.gz KSFPRKUTRLODRB-UHFFFAOYSA-N 0 0 362.451 2.734 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCN(CC(F)F)CC2)cc1 ZINC000140904097 728741650 /nfs/dbraw/zinc/74/16/50/728741650.db2.gz WMLDMQVMVNYLNJ-UHFFFAOYSA-N 0 0 354.445 2.625 20 10 FFCDRN C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000145701559 728742722 /nfs/dbraw/zinc/74/27/22/728742722.db2.gz KIERAVXEFYOABE-GFCCVEGCSA-N 0 0 361.423 2.984 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cc(C)n[nH]1 ZINC000151051879 728744149 /nfs/dbraw/zinc/74/41/49/728744149.db2.gz KSUHHDIVPNJMEI-UHFFFAOYSA-N 0 0 352.232 2.777 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cc(N)nc(Cl)c3)CC2)cc1 ZINC000171220494 729000543 /nfs/dbraw/zinc/00/05/43/729000543.db2.gz YAPLWEACTZXMCE-UHFFFAOYSA-N 0 0 360.845 2.725 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2Cl)c1O ZINC000172340426 729024119 /nfs/dbraw/zinc/02/41/19/729024119.db2.gz UPFGJCDWQWAIEK-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(O)c1O ZINC000177673338 729142816 /nfs/dbraw/zinc/14/28/16/729142816.db2.gz PUINVTZJJDXFCI-UHFFFAOYSA-N 0 0 358.463 2.889 20 10 FFCDRN O=S(=O)(CC1CCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000178557407 729164298 /nfs/dbraw/zinc/16/42/98/729164298.db2.gz FRHBDIWLXSCPDF-KRWDZBQOSA-N 0 0 353.484 2.893 20 10 FFCDRN CC[C@@H](CO)N1CCN(C(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000179412192 729185914 /nfs/dbraw/zinc/18/59/14/729185914.db2.gz DPXCUMLLRICMJK-INIZCTEOSA-N 0 0 361.511 2.684 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1sc(N2CCCC2)nc1Cl ZINC000778915942 738420675 /nfs/dbraw/zinc/42/06/75/738420675.db2.gz YQKYZMCERWEXQB-UHFFFAOYSA-N 0 0 353.831 2.738 20 10 FFCDRN CCNC(=O)C1(C[NH2+]Cc2cc(C)cc(Br)c2[O-])CCC1 ZINC000752933844 736024095 /nfs/dbraw/zinc/02/40/95/736024095.db2.gz RPWPEFDYSGCXKE-UHFFFAOYSA-N 0 0 355.276 2.859 20 10 FFCDRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000182386572 729276517 /nfs/dbraw/zinc/27/65/17/729276517.db2.gz QZIXMQQLZHBMBE-UHFFFAOYSA-N 0 0 364.515 2.700 20 10 FFCDRN CN(C)C(=O)CC1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000182733675 729286044 /nfs/dbraw/zinc/28/60/44/729286044.db2.gz AXDIPJRZJUFEAW-UHFFFAOYSA-N 0 0 370.544 2.525 20 10 FFCDRN CSc1nc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c2ccccn21 ZINC000183458817 729305105 /nfs/dbraw/zinc/30/51/05/729305105.db2.gz XJGOJVLTTKJWHO-NSHDSACASA-N 0 0 357.435 2.828 20 10 FFCDRN COc1cc(N2CCN(Cc3ncc(C)s3)CC2)cc(OC)c1OC ZINC000183698093 729311444 /nfs/dbraw/zinc/31/14/44/729311444.db2.gz QHKCQFYBCRBNKA-UHFFFAOYSA-N 0 0 363.483 2.800 20 10 FFCDRN O=S(=O)(Cc1noc2ccccc12)NCCCSc1nccs1 ZINC000185791658 729356689 /nfs/dbraw/zinc/35/66/89/729356689.db2.gz PJXLPSCQXJFNPU-UHFFFAOYSA-N 0 0 369.493 2.886 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(-c2ccncc2)s1 ZINC000186422744 729364984 /nfs/dbraw/zinc/36/49/84/729364984.db2.gz TWSNHPDRGVSCKP-LLVKDONJSA-N 0 0 355.419 2.977 20 10 FFCDRN CO[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC[C@@H]1C ZINC000187408585 729375782 /nfs/dbraw/zinc/37/57/82/729375782.db2.gz QAIPASXHNFAYNC-MAUKXSAKSA-N 0 0 363.527 2.806 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1CCC[C@H]1CCO ZINC000190301410 729406852 /nfs/dbraw/zinc/40/68/52/729406852.db2.gz UJIKSRIDVKAUQG-WMZOPIPTSA-N 0 0 363.527 2.590 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc(C3CC3)cc2)c1 ZINC000191314907 729415797 /nfs/dbraw/zinc/41/57/97/729415797.db2.gz PIKHELHYSIZQFD-UHFFFAOYSA-N 0 0 360.435 2.571 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ncccc1Br ZINC000193785732 729489621 /nfs/dbraw/zinc/48/96/21/729489621.db2.gz FZUGEBAHWLLJTL-VIFPVBQESA-N 0 0 351.200 2.616 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000924520930 738425542 /nfs/dbraw/zinc/42/55/42/738425542.db2.gz VSFSQXLQVPXJEP-CMPLNLGQSA-N 0 0 352.740 2.955 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000248086458 729601668 /nfs/dbraw/zinc/60/16/68/729601668.db2.gz DQUNWSUEIMYAMU-HZPDHXFCSA-N 0 0 353.532 2.797 20 10 FFCDRN Cc1cc(C(=O)OC[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1C ZINC000779257149 738447303 /nfs/dbraw/zinc/44/73/03/738447303.db2.gz RAUXDGRHQKYHHW-MRXNPFEDSA-N 0 0 361.463 2.994 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F ZINC000641362564 730219759 /nfs/dbraw/zinc/21/97/59/730219759.db2.gz LGYWYACRDGOGAY-CQSZACIVSA-N 0 0 360.426 2.573 20 10 FFCDRN Cc1nc(CCC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000856211538 730316156 /nfs/dbraw/zinc/31/61/56/730316156.db2.gz UDRGIFHGCCKBAG-UHFFFAOYSA-N 0 0 359.495 2.662 20 10 FFCDRN O=C(Cc1cnccc1Cl)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213097 730316313 /nfs/dbraw/zinc/31/63/13/730316313.db2.gz BQPOTTJMEABFBI-UHFFFAOYSA-N 0 0 359.857 2.555 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cnc([C@H](C)O)s3)CC2)cc1 ZINC000857439816 730397557 /nfs/dbraw/zinc/39/75/57/730397557.db2.gz GQDPWMRBRNEFQY-ZDUSSCGKSA-N 0 0 361.467 2.558 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCCCN(C)C(=O)OC(C)(C)C)c1 ZINC000858213107 730419952 /nfs/dbraw/zinc/41/99/52/730419952.db2.gz FASASJJSWXFSHP-UHFFFAOYSA-N 0 0 351.447 2.757 20 10 FFCDRN [O-]c1ccc(Cl)c(F)c1C[NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1 ZINC000858305959 730422349 /nfs/dbraw/zinc/42/23/49/730422349.db2.gz FTDPJNGMDSGQIN-CQSZACIVSA-N 0 0 365.836 2.570 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000858449171 730426051 /nfs/dbraw/zinc/42/60/51/730426051.db2.gz JCKXIEFYMXCUBW-HZMBPMFUSA-N 0 0 357.332 2.830 20 10 FFCDRN CC[C@@H](CNC(=O)NCc1cc(C)ccc1O)NC(=O)OC(C)(C)C ZINC000858506772 730427618 /nfs/dbraw/zinc/42/76/18/730427618.db2.gz IWUQUUXSZPNSHO-AWEZNQCLSA-N 0 0 351.447 2.803 20 10 FFCDRN COC(=O)c1cnc(Sc2nc(OC)cc(C(F)(F)F)n2)s1 ZINC000858557524 730428727 /nfs/dbraw/zinc/42/87/27/730428727.db2.gz PTCSJYAMKLLJLV-UHFFFAOYSA-N 0 0 351.331 2.898 20 10 FFCDRN CCc1[nH]nc(Cl)c1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000858785629 730433745 /nfs/dbraw/zinc/43/37/45/730433745.db2.gz INXZKSGNNFWDBE-GFCCVEGCSA-N 0 0 362.861 2.953 20 10 FFCDRN CCOC(=O)C[C@@H](O)COC(=O)c1sccc1-n1c(C)ccc1C ZINC000859514297 730457093 /nfs/dbraw/zinc/45/70/93/730457093.db2.gz SZSRLQYTHZZUIM-CYBMUJFWSA-N 0 0 351.424 2.627 20 10 FFCDRN CN(C)c1ccc(C[NH2+][C@@]2(CC(=O)[O-])CCCOC2)c(C(F)(F)F)c1 ZINC000859814219 730466630 /nfs/dbraw/zinc/46/66/30/730466630.db2.gz SPOQTBAJJWSVIL-MRXNPFEDSA-N 0 0 360.376 2.885 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cnc(C3(C)OCCO3)s2)c1 ZINC000860242031 730493250 /nfs/dbraw/zinc/49/32/50/730493250.db2.gz OBDGSKSLZPPTJV-SNVBAGLBSA-N 0 0 364.423 2.568 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCNC(=O)[C@@H]2c2cccs2)cc1F ZINC000862247717 730681362 /nfs/dbraw/zinc/68/13/62/730681362.db2.gz BHEXOYNDJUHVGT-INIZCTEOSA-N 0 0 351.422 2.765 20 10 FFCDRN C[C@H]1CN(Cc2c(O)cccc2Br)C[C@@]2(CCCOC2)O1 ZINC000862352590 730690858 /nfs/dbraw/zinc/69/08/58/730690858.db2.gz FIYMMCRYFJEINZ-BLLLJJGKSA-N 0 0 356.260 2.925 20 10 FFCDRN Cc1cc(CNC(=O)CN2CSCC2=O)c(C)n1-c1cccc(C)c1 ZINC000863162592 730753490 /nfs/dbraw/zinc/75/34/90/730753490.db2.gz QGRHDBQTKZZSOT-UHFFFAOYSA-N 0 0 357.479 2.552 20 10 FFCDRN Cc1cc(CNC(=O)[C@H]2CCCCS2(=O)=O)c(C)n1-c1ccccc1 ZINC000863165946 730753515 /nfs/dbraw/zinc/75/35/15/730753515.db2.gz QKAAKBDPUKWKPN-GOSISDBHSA-N 0 0 360.479 2.678 20 10 FFCDRN Cc1cc(CNC(=O)[C@H](C)[C@H](C)S(C)(=O)=O)c(C)n1-c1ccccc1 ZINC000863164721 730753620 /nfs/dbraw/zinc/75/36/20/730753620.db2.gz UBXJVXKIEVFMGN-ZBFHGGJFSA-N 0 0 362.495 2.780 20 10 FFCDRN CCCN(CC(F)(F)F)C(=O)CSc1ncc(C(=O)OC)s1 ZINC000863342084 730770775 /nfs/dbraw/zinc/77/07/75/730770775.db2.gz YKJHQZFASAYCRQ-UHFFFAOYSA-N 0 0 356.391 2.823 20 10 FFCDRN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@H]1C(=O)OC(C)(C)C ZINC000863939225 730816887 /nfs/dbraw/zinc/81/68/87/730816887.db2.gz ZCGNRXDYDLUGHT-GHMZBOCLSA-N 0 0 353.390 2.677 20 10 FFCDRN Cc1scc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1C ZINC000864356503 730841220 /nfs/dbraw/zinc/84/12/20/730841220.db2.gz PFMRFVMCDAMJJR-ZROIWOOFSA-N 0 0 368.549 2.898 20 10 FFCDRN Nc1c(Cl)cc(N2C(=O)N[C@H](C[C@H]3CCCOC3)C2=O)cc1Cl ZINC000864558687 730860197 /nfs/dbraw/zinc/86/01/97/730860197.db2.gz YEIQPHOENLOPIY-PRHODGIISA-N 0 0 358.225 2.817 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1(c2ccccn2)CC1 ZINC000864918846 730891711 /nfs/dbraw/zinc/89/17/11/730891711.db2.gz MJUUXRBIDQILHL-UHFFFAOYSA-N 0 0 353.491 2.983 20 10 FFCDRN O=C1/C(=C/c2cn(C[C@@H]3CCCO3)nn2)SC(=S)N1c1ccccc1 ZINC000865215326 730924870 /nfs/dbraw/zinc/92/48/70/730924870.db2.gz OHBCDYBYRNJDBS-BUYRESAOSA-N 0 0 372.475 2.863 20 10 FFCDRN Oc1cccc(Br)c1CNc1ncn(CC(F)(F)F)n1 ZINC000865291845 730935881 /nfs/dbraw/zinc/93/58/81/730935881.db2.gz VEPWEHIULQCFOY-UHFFFAOYSA-N 0 0 351.126 2.921 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1ccc(F)cc1F ZINC000779891912 738494048 /nfs/dbraw/zinc/49/40/48/738494048.db2.gz AKOWKNDPUGFLND-UHFFFAOYSA-N 0 0 354.422 2.959 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCc1nc2c(c(=O)[nH]1)COCC2 ZINC000865348543 730944990 /nfs/dbraw/zinc/94/49/90/730944990.db2.gz UTJNGGFKTCQGIH-UHFFFAOYSA-N 0 0 354.435 2.948 20 10 FFCDRN Cc1cc(F)c(S(N)(=O)=O)c(NCc2ccc(N3CCCC3)cc2)c1 ZINC000865442981 730955678 /nfs/dbraw/zinc/95/56/78/730955678.db2.gz SIMXKFRUUXSULA-UHFFFAOYSA-N 0 0 363.458 2.994 20 10 FFCDRN Cc1cc(Br)c(O)c(CNc2cc3n(n2)CC[N@@H+](C)C3)c1 ZINC000865846318 731003461 /nfs/dbraw/zinc/00/34/61/731003461.db2.gz ZXNUDIJAERFTJN-UHFFFAOYSA-N 0 0 351.248 2.717 20 10 FFCDRN C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Br)c(F)cc1[O-] ZINC000866496016 731067172 /nfs/dbraw/zinc/06/71/72/731067172.db2.gz LDOCLLXXUJTUTA-VIFPVBQESA-N 0 0 367.222 2.623 20 10 FFCDRN CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)c2ccc(Cl)cc2[O-])cc1 ZINC000866576899 731075959 /nfs/dbraw/zinc/07/59/59/731075959.db2.gz BFSDEGOCLPNRLW-LBPRGKRZSA-N 0 0 368.886 2.847 20 10 FFCDRN CC[S@](C)(=O)=NS(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000866829564 731105816 /nfs/dbraw/zinc/10/58/16/731105816.db2.gz VLXOLOGFTPMKHB-QHCPKHFHSA-N 0 0 374.528 2.889 20 10 FFCDRN CCO[C@@H]1COCC[C@@H]1CC(=O)NCc1cccc(Br)c1O ZINC000867831315 731231719 /nfs/dbraw/zinc/23/17/19/731231719.db2.gz UTDFYTXNCFWGIM-BXUZGUMPSA-N 0 0 372.259 2.603 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCNC3=O)cc2Cl)C1 ZINC000868064972 731255914 /nfs/dbraw/zinc/25/59/14/731255914.db2.gz IKWGEAIXSKNICA-DZGCQCFKSA-N 0 0 363.889 2.719 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCC[C@@H]3CCSC3)C2)cc1 ZINC000868720055 731323645 /nfs/dbraw/zinc/32/36/45/731323645.db2.gz GQCUDMVBJCJROA-CVEARBPZSA-N 0 0 363.527 2.964 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@]2(NC(=O)OC(C)(C)C)CC2(F)F)c1 ZINC000869411542 731396780 /nfs/dbraw/zinc/39/67/80/731396780.db2.gz WCQBRNLSEOCGRU-MRXNPFEDSA-N 0 0 356.369 2.619 20 10 FFCDRN Cc1cccc(CS(=O)(=O)CCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000871205875 731606015 /nfs/dbraw/zinc/60/60/15/731606015.db2.gz MLQZGQCHCQICIL-UHFFFAOYSA-N 0 0 359.447 2.548 20 10 FFCDRN C[C@@H]1CC[C@H](C(=O)[O-])C[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000871879812 731693381 /nfs/dbraw/zinc/69/33/81/731693381.db2.gz KSXMFXJWMJOEMB-KMFMINBZSA-N 0 0 350.434 2.641 20 10 FFCDRN O=C(NCCn1ccc(C(F)(F)F)n1)NCc1cc(Cl)ccc1O ZINC000873151355 731881156 /nfs/dbraw/zinc/88/11/56/731881156.db2.gz GSFCZOUMVASEPP-UHFFFAOYSA-N 0 0 362.739 2.760 20 10 FFCDRN Cc1nc[nH]c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000874279263 732034660 /nfs/dbraw/zinc/03/46/60/732034660.db2.gz KTYBFUQAVCBZSC-UHFFFAOYSA-N 0 0 350.369 2.718 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@H]1CC(C(F)(F)F)=NO1 ZINC000875374529 732149312 /nfs/dbraw/zinc/14/93/12/732149312.db2.gz KUNWEAYTNVCNPP-MRVPVSSYSA-N 0 0 368.406 2.632 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NC[C@@H]1CC(C)=NO1 ZINC000875970491 732204374 /nfs/dbraw/zinc/20/43/74/732204374.db2.gz AIDVHZPWHCWUHK-ZDUSSCGKSA-N 0 0 370.247 2.851 20 10 FFCDRN OC1(C(F)(F)F)CCN(Cc2ccc(N3CCOCC3)c(F)c2)CC1 ZINC000780892788 738586059 /nfs/dbraw/zinc/58/60/59/738586059.db2.gz KBOAJSFRIAOMAT-UHFFFAOYSA-N 0 0 362.367 2.552 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cc1cnn(CC)c1 ZINC000780900757 738586963 /nfs/dbraw/zinc/58/69/63/738586963.db2.gz JRPPCTINOTZFIS-UHFFFAOYSA-N 0 0 366.259 2.962 20 10 FFCDRN O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C2)nc1 ZINC000876753078 732276855 /nfs/dbraw/zinc/27/68/55/732276855.db2.gz IDJUTOYTICGQCL-NSHDSACASA-N 0 0 350.325 2.660 20 10 FFCDRN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2ccc(F)c(F)c2[O-])cc1 ZINC000877368783 732353449 /nfs/dbraw/zinc/35/34/49/732353449.db2.gz VTVBHJNKZJEVIN-UHFFFAOYSA-N 0 0 368.405 2.500 20 10 FFCDRN CCOC(=O)[C@]1(C[NH2+]Cc2cccc(Br)c2[O-])CCCOC1 ZINC000877698996 732416271 /nfs/dbraw/zinc/41/62/71/732416271.db2.gz UFTVXHQTZXNDDX-INIZCTEOSA-N 0 0 372.259 2.604 20 10 FFCDRN CS(=O)(=O)C1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000878219349 732500235 /nfs/dbraw/zinc/50/02/35/732500235.db2.gz KIMMEUPXGGZEBS-UHFFFAOYSA-N 0 0 364.511 2.506 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cnc(CC2CC2)s1 ZINC000878386873 732524238 /nfs/dbraw/zinc/52/42/38/732524238.db2.gz JCKBNGCKLMYVOV-UHFFFAOYSA-N 0 0 357.479 2.862 20 10 FFCDRN COCc1ncc2c(n1)CCN(Cc1cc(Cl)cc(C(C)=O)c1O)C2 ZINC000879107865 732647691 /nfs/dbraw/zinc/64/76/91/732647691.db2.gz VEVXBWSQCHWUPG-UHFFFAOYSA-N 0 0 361.829 2.743 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C[C@H]3CCNC3=O)cc2Cl)C1 ZINC000879873074 732792818 /nfs/dbraw/zinc/79/28/18/732792818.db2.gz RWVWJCXBNYMDJQ-UKRRQHHQSA-N 0 0 363.889 2.719 20 10 FFCDRN CCS(=O)(=O)C[C@H](C)N(C)Cc1cc(C)cc(Br)c1O ZINC000781908414 738670539 /nfs/dbraw/zinc/67/05/39/738670539.db2.gz ISKNRTDUTLDHEG-NSHDSACASA-N 0 0 364.305 2.718 20 10 FFCDRN COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(C)cc(Br)c1O ZINC000781922348 738673530 /nfs/dbraw/zinc/67/35/30/738673530.db2.gz XRDVAIPUPMHKCD-OCCSQVGLSA-N 0 0 372.259 2.616 20 10 FFCDRN COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(C)cc(Br)c1O ZINC000781922351 738673631 /nfs/dbraw/zinc/67/36/31/738673631.db2.gz XRDVAIPUPMHKCD-TZMCWYRMSA-N 0 0 372.259 2.616 20 10 FFCDRN Cc1nn(C)c(C)c1CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000882883681 733307414 /nfs/dbraw/zinc/30/74/14/733307414.db2.gz HZHPLADKRCXEOG-UHFFFAOYSA-N 0 0 356.239 2.976 20 10 FFCDRN COC(=O)N1CCC([NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882920140 733311146 /nfs/dbraw/zinc/31/11/46/733311146.db2.gz BMIWWUQFGVGBIN-UHFFFAOYSA-N 0 0 361.211 2.614 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CN(C)CCO1 ZINC000883051439 733326345 /nfs/dbraw/zinc/32/63/45/733326345.db2.gz BKRVFMHHUINEHS-ZANVPECISA-N 0 0 363.683 2.617 20 10 FFCDRN CC1(CNC(=O)NCc2ccc(N3CCOCC3)cc2)CC(F)(F)C1 ZINC000883186066 733348267 /nfs/dbraw/zinc/34/82/67/733348267.db2.gz KHMYMXCVRXITFM-UHFFFAOYSA-N 0 0 353.413 2.758 20 10 FFCDRN C=C/C=C/CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000883686232 733422952 /nfs/dbraw/zinc/42/29/52/733422952.db2.gz DLFMUJURVBFBEX-ONEGZZNKSA-N 0 0 351.397 2.733 20 10 FFCDRN C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCS1 ZINC000927260540 738712029 /nfs/dbraw/zinc/71/20/29/738712029.db2.gz LVSXHFONGRWVKG-RDJZCZTQSA-N 0 0 363.527 2.949 20 10 FFCDRN C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(N(C)Cc2cccs2)cc1 ZINC000886293566 733770764 /nfs/dbraw/zinc/77/07/64/733770764.db2.gz CPXPKCDSAYAVKL-KDOFPFPSSA-N 0 0 364.536 2.907 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886520592 733799973 /nfs/dbraw/zinc/79/99/73/733799973.db2.gz ICVTVZLYRPUORD-NWDGAFQWSA-N 0 0 352.431 2.851 20 10 FFCDRN Cc1nccc(NC(=O)N(C)Cc2ccccc2O)c1Br ZINC000782862986 738759981 /nfs/dbraw/zinc/75/99/81/738759981.db2.gz QAUPTYUGUDMCOW-UHFFFAOYSA-N 0 0 350.216 2.944 20 10 FFCDRN O=C(Cc1cccc(Br)c1)OCC(=O)c1ccc(O)c(O)c1 ZINC000783354674 738801519 /nfs/dbraw/zinc/80/15/19/738801519.db2.gz FCCUTQNURNIZRG-UHFFFAOYSA-N 0 0 365.179 2.829 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1cc(F)cc(N2CCOCC2)c1 ZINC000890760836 734336635 /nfs/dbraw/zinc/33/66/35/734336635.db2.gz ALHQBDUGFMXXQZ-UHFFFAOYSA-N 0 0 364.804 2.951 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1cc(F)ccc1N1CCOCC1 ZINC000890760732 734336696 /nfs/dbraw/zinc/33/66/96/734336696.db2.gz YBUAXVCIJSYQII-UHFFFAOYSA-N 0 0 364.804 2.951 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1nnn(C2CC2)c1C(F)(F)F ZINC000890760326 734336840 /nfs/dbraw/zinc/33/68/40/734336840.db2.gz OMZMCWLCUVTHSZ-UHFFFAOYSA-N 0 0 360.723 2.921 20 10 FFCDRN C[C@@H](CN1CCCC1=O)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708158516 734362610 /nfs/dbraw/zinc/36/26/10/734362610.db2.gz RPRWDXLPHVNBGU-VIFPVBQESA-N 0 0 361.667 2.909 20 10 FFCDRN CNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708211649 734362859 /nfs/dbraw/zinc/36/28/59/734362859.db2.gz OBRQLZPGRDNMRP-UHFFFAOYSA-N 0 0 361.667 2.766 20 10 FFCDRN Cc1cc(CCNS(=O)(=O)C[C@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000725819721 734393109 /nfs/dbraw/zinc/39/31/09/734393109.db2.gz XOEGATWMGOMCQO-LJQANCHMSA-N 0 0 362.495 2.735 20 10 FFCDRN CC(C)CS(=O)(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000725823852 734393827 /nfs/dbraw/zinc/39/38/27/734393827.db2.gz FKXHMRQKPAAUGB-OKILXGFUSA-N 0 0 358.479 2.515 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@H]1CCCCO1 ZINC000725825892 734394403 /nfs/dbraw/zinc/39/44/03/734394403.db2.gz JBSHBRDYPYBFEY-GOSISDBHSA-N 0 0 354.516 2.862 20 10 FFCDRN O=C(NCCOC1CCSCC1)c1cc2cc(O)c(O)cc2s1 ZINC000891220125 734398917 /nfs/dbraw/zinc/39/89/17/734398917.db2.gz MJIFRIREVCOJMY-UHFFFAOYSA-N 0 0 353.465 2.955 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CNC(=O)c1cc2c(s1)CCCC2 ZINC000726799876 734446420 /nfs/dbraw/zinc/44/64/20/734446420.db2.gz AUKOTOAKKNCLEZ-UHFFFAOYSA-N 0 0 358.463 2.721 20 10 FFCDRN CC(C)C[C@@H](C)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000727672821 734493762 /nfs/dbraw/zinc/49/37/62/734493762.db2.gz GFDPIWZFSDHPRV-MRXNPFEDSA-N 0 0 366.527 2.610 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N(C)CC(F)F)cc2F)C[C@H](C)O1 ZINC000728949571 734551336 /nfs/dbraw/zinc/55/13/36/734551336.db2.gz SRDRZNDOQZWRES-TXEJJXNPSA-N 0 0 359.392 2.846 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc([N+](=O)[O-])cc1Cl ZINC000783701393 738827921 /nfs/dbraw/zinc/82/79/21/738827921.db2.gz IOGZTHUMTFWZRW-GHXNOFRVSA-N 0 0 353.787 2.551 20 10 FFCDRN CCCCN(C)S(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000731038048 734663397 /nfs/dbraw/zinc/66/33/97/734663397.db2.gz CPNVURXKJCXJGS-UHFFFAOYSA-N 0 0 353.532 2.989 20 10 FFCDRN COC(=O)CN(Cc1occc1C(=O)OC)Cc1cc(Cl)ccc1O ZINC000731844922 734700398 /nfs/dbraw/zinc/70/03/98/734700398.db2.gz LAEHLVJZOKZKFD-UHFFFAOYSA-N 0 0 367.785 2.600 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCn2ccnc2)cc1 ZINC000731989902 734711189 /nfs/dbraw/zinc/71/11/89/734711189.db2.gz ZYQJMUHOBRVUKH-UHFFFAOYSA-N 0 0 354.376 2.930 20 10 FFCDRN O=C(COC(=O)C1=CC(=O)CS1)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000732353037 734736545 /nfs/dbraw/zinc/73/65/45/734736545.db2.gz BVAOBZXDWKRRPJ-UHFFFAOYSA-N 0 0 356.743 2.811 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894048178 734792804 /nfs/dbraw/zinc/79/28/04/734792804.db2.gz ZKMYZCGALWWJSQ-OLZOCXBDSA-N 0 0 360.223 2.878 20 10 FFCDRN Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCCSc1nccs1 ZINC000733899855 734857891 /nfs/dbraw/zinc/85/78/91/734857891.db2.gz PVZRLSDBOXYURI-UHFFFAOYSA-N 0 0 373.481 2.820 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000734016796 734867680 /nfs/dbraw/zinc/86/76/80/734867680.db2.gz HFSYBEXEDBRRNG-OAHLLOKOSA-N 0 0 352.431 2.566 20 10 FFCDRN CN1C(=O)C[C@H](C(=O)NCc2ccccc2O)[C@H]1c1cccc(Cl)c1 ZINC000734547108 734902318 /nfs/dbraw/zinc/90/23/18/734902318.db2.gz BLTANAYVHTYTLH-MAUKXSAKSA-N 0 0 358.825 2.881 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCC[C@H]1c1ncc(Br)cn1 ZINC000928360912 738862247 /nfs/dbraw/zinc/86/22/47/738862247.db2.gz WJFOYLSFGHQIKD-JTQLQIEISA-N 0 0 354.229 2.984 20 10 FFCDRN Cc1nnc([C@H]2CC[N@H+](Cc3cc(Br)cc(F)c3[O-])C2)[nH]1 ZINC000895013265 734952781 /nfs/dbraw/zinc/95/27/81/734952781.db2.gz ZTUQBPPZMFVPFA-VIFPVBQESA-N 0 0 355.211 2.710 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1csc2cncn21 ZINC000735852176 734962868 /nfs/dbraw/zinc/96/28/68/734962868.db2.gz AMQDCHIUKLIICR-UHFFFAOYSA-N 0 0 358.492 2.879 20 10 FFCDRN Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)NCc1cccc(Cl)c1O ZINC000895596180 735029459 /nfs/dbraw/zinc/02/94/59/735029459.db2.gz ZJDLXHADDPWSIA-AWEZNQCLSA-N 0 0 361.829 2.621 20 10 FFCDRN CC(=O)c1cncc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000895770456 735053651 /nfs/dbraw/zinc/05/36/51/735053651.db2.gz FYXFBUVXUBPUQA-UHFFFAOYSA-N 0 0 355.463 2.767 20 10 FFCDRN CCOC(=O)N1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC000896014098 735088282 /nfs/dbraw/zinc/08/82/82/735088282.db2.gz QASQNBWYTFWSAZ-UHFFFAOYSA-N 0 0 364.423 2.617 20 10 FFCDRN CN1CCC[C@H]1c1cc(C(=O)NCCCSc2nccs2)[nH]n1 ZINC000896334336 735140321 /nfs/dbraw/zinc/14/03/21/735140321.db2.gz MCRLPXSTVVCJMR-ZDUSSCGKSA-N 0 0 351.501 2.545 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1nc(C(F)(F)F)no1 ZINC000896405386 735155215 /nfs/dbraw/zinc/15/52/15/735155215.db2.gz VYUDFVMATAKLTF-UHFFFAOYSA-N 0 0 358.320 2.916 20 10 FFCDRN C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)NCc3cccc(Cl)c3O)O2)[C@H]1C ZINC000896522644 735172662 /nfs/dbraw/zinc/17/26/62/735172662.db2.gz KQAHOCFORNQFBC-MMNXLFCMSA-N 0 0 368.861 2.817 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896581539 735175829 /nfs/dbraw/zinc/17/58/29/735175829.db2.gz ZWRGFIJOESYZLS-KOLCDFICSA-N 0 0 352.740 2.955 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCC2(CCOCC2)O1 ZINC000896710550 735180956 /nfs/dbraw/zinc/18/09/56/735180956.db2.gz FPZQGIQLWJZMPS-CYBMUJFWSA-N 0 0 354.834 2.573 20 10 FFCDRN CO[C@@H]1CC[C@H]2OCCN(C(=O)c3cc4cc(O)c(O)cc4s3)[C@H]2C1 ZINC000897205702 735205949 /nfs/dbraw/zinc/20/59/49/735205949.db2.gz OAAYZYJHJNNEKZ-TYNCELHUSA-N 0 0 363.435 2.721 20 10 FFCDRN C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C(=O)N1c1cnn(C)c1 ZINC000742390798 735235095 /nfs/dbraw/zinc/23/50/95/735235095.db2.gz PALRKVKKNCIOTM-LKFCYVNXSA-N 0 0 369.252 2.716 20 10 FFCDRN COc1ccc(Cl)c(NC(=S)NN=c2nc(OC)cc(C)[nH]2)c1 ZINC000747653783 735578110 /nfs/dbraw/zinc/57/81/10/735578110.db2.gz GMNDHQWVZPBIJK-UHFFFAOYSA-N 0 0 353.835 2.769 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCOC12CCCC2 ZINC000900165694 735608230 /nfs/dbraw/zinc/60/82/30/735608230.db2.gz DHONOTYEAQIEFN-OAHLLOKOSA-N 0 0 364.829 2.912 20 10 FFCDRN O=C(CN1C(=S)N=NC1c1ccc(Cl)cc1)NCc1ccccc1O ZINC000748350426 735637410 /nfs/dbraw/zinc/63/74/10/735637410.db2.gz RNIUIFCDQOMUSE-UHFFFAOYSA-N 0 0 374.853 2.909 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccccc1SC(F)F ZINC000748475185 735648475 /nfs/dbraw/zinc/64/84/75/735648475.db2.gz FXRLQQROKXKZQL-UHFFFAOYSA-N 0 0 352.362 2.962 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCC(C)(C)S(C)(=O)=O ZINC000748740221 735667853 /nfs/dbraw/zinc/66/78/53/735667853.db2.gz MZQXSZCZHXMZIG-UHFFFAOYSA-N 0 0 362.495 2.956 20 10 FFCDRN CC(C)c1nsc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000750017325 735766945 /nfs/dbraw/zinc/76/69/45/735766945.db2.gz SMMYHVVPSNMNJR-AWEZNQCLSA-N 0 0 359.499 2.975 20 10 FFCDRN Cc1cc(CC(=O)N[C@H]2CC(=O)N(C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000750806229 735815787 /nfs/dbraw/zinc/81/57/87/735815787.db2.gz XYMMSWIUMXWPNN-INIZCTEOSA-N 0 0 359.857 2.637 20 10 FFCDRN O=C(CCc1ccccc1)N1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000751395358 735869757 /nfs/dbraw/zinc/86/97/57/735869757.db2.gz HHRXFLGFIBYCBU-UHFFFAOYSA-N 0 0 358.463 2.761 20 10 FFCDRN Cc1cc(Br)c(O)c(CNc2nnc(-c3nccn3C)o2)c1 ZINC000788451448 739245835 /nfs/dbraw/zinc/24/58/35/739245835.db2.gz FUSLVTULBUVFRR-UHFFFAOYSA-N 0 0 364.203 2.859 20 10 FFCDRN Cc1cc(CCNC(=O)N[C@@H](C)C[S@](C)=O)c(C)n1-c1ccccc1 ZINC000784526415 738900671 /nfs/dbraw/zinc/90/06/71/738900671.db2.gz ICJWJKGAXSCXSM-SXBQZSJRSA-N 0 0 361.511 2.703 20 10 FFCDRN Cc1ccc(C(=O)NCC2(NC(=O)OC(C)(C)C)CCC2)c(O)c1O ZINC000753104504 736037791 /nfs/dbraw/zinc/03/77/91/736037791.db2.gz NJBYTWUDGFDIMY-UHFFFAOYSA-N 0 0 350.415 2.583 20 10 FFCDRN C[C@@H](NC(=O)N1CCSC[C@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000753107966 736038341 /nfs/dbraw/zinc/03/83/41/736038341.db2.gz OKFVXQXQMIMBKW-HZPDHXFCSA-N 0 0 363.527 2.979 20 10 FFCDRN CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000903233144 736062870 /nfs/dbraw/zinc/06/28/70/736062870.db2.gz ASLJBJCRDRVPFE-GFCCVEGCSA-N 0 0 352.431 2.680 20 10 FFCDRN C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCOC1 ZINC000754320496 736147105 /nfs/dbraw/zinc/14/71/05/736147105.db2.gz PFBFHAPZDQBOHY-FZKQIMNGSA-N 0 0 354.397 2.800 20 10 FFCDRN CCOC(=O)c1ccc(NC(=S)NCc2cccc(N(C)C)n2)cc1 ZINC000754690629 736188124 /nfs/dbraw/zinc/18/81/24/736188124.db2.gz CMLMNHHCSXTYRN-UHFFFAOYSA-N 0 0 358.467 2.811 20 10 FFCDRN CN(C)S(=O)(=O)c1ccccc1N(C)Cc1cc2c(cc1O)CCC2 ZINC000754761437 736194867 /nfs/dbraw/zinc/19/48/67/736194867.db2.gz VYLNZAQJOVMBEQ-UHFFFAOYSA-N 0 0 360.479 2.768 20 10 FFCDRN C[C@H]([NH2+]C[C@H](O)COCC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000756510422 736337479 /nfs/dbraw/zinc/33/74/79/736337479.db2.gz HYFIZRAATUACBD-ONGXEEELSA-N 0 0 362.239 2.732 20 10 FFCDRN Nc1c(Cl)cc(N2C(=O)N[C@@H](CC3CCOCC3)C2=O)cc1Cl ZINC000905458146 736343104 /nfs/dbraw/zinc/34/31/04/736343104.db2.gz CQJSASJAMMRYCU-LBPRGKRZSA-N 0 0 358.225 2.817 20 10 FFCDRN COCCCN(C)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756613012 736347110 /nfs/dbraw/zinc/34/71/10/736347110.db2.gz NGNUVXAWFSANAU-LLVKDONJSA-N 0 0 363.271 2.913 20 10 FFCDRN CCc1nncn1CC[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756620552 736347796 /nfs/dbraw/zinc/34/77/96/736347796.db2.gz KWTLBSFWKOCSKX-SECBINFHSA-N 0 0 357.227 2.799 20 10 FFCDRN CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000756654619 736349992 /nfs/dbraw/zinc/34/99/92/736349992.db2.gz LJZYLQHSYBRHFC-ZJUUUORDSA-N 0 0 359.239 2.955 20 10 FFCDRN CC(C)N1C[C@H]([NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])CC1=O ZINC000756739808 736357199 /nfs/dbraw/zinc/35/71/99/736357199.db2.gz ZEEOUTPMACHOHN-MWLCHTKSSA-N 0 0 359.239 2.954 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000757793125 736427599 /nfs/dbraw/zinc/42/75/99/736427599.db2.gz KGTGTHFKKOTTMS-UHFFFAOYSA-N 0 0 364.854 2.942 20 10 FFCDRN Oc1ccccc1CN(C[C@H]1CCCO1)C(=S)NC[C@H]1CCCCO1 ZINC000758176086 736459305 /nfs/dbraw/zinc/45/93/05/736459305.db2.gz OFMGIPZVRYCVMW-IAGOWNOFSA-N 0 0 364.511 2.817 20 10 FFCDRN CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(Br)c2[O-])[C@@]12CCCO2 ZINC000759176494 736553110 /nfs/dbraw/zinc/55/31/10/736553110.db2.gz HXWJZHCMKIBPFE-LZWOXQAQSA-N 0 0 356.260 2.971 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)C3CCC(=O)CC3)cc2)CC1 ZINC000906932780 736561860 /nfs/dbraw/zinc/56/18/60/736561860.db2.gz JCYNPTCJDSEYDE-UHFFFAOYSA-N 0 0 364.511 2.854 20 10 FFCDRN CN(C(=O)CNC(=O)NCCCSc1nccs1)C1CCCCC1 ZINC000759584354 736578645 /nfs/dbraw/zinc/57/86/45/736578645.db2.gz LYLXAYPTPVKCEZ-UHFFFAOYSA-N 0 0 370.544 2.716 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@H](CO)Cc1ccccc1 ZINC000759589693 736579122 /nfs/dbraw/zinc/57/91/22/736579122.db2.gz FMCKXWBFKSJPRM-OAHLLOKOSA-N 0 0 365.524 2.776 20 10 FFCDRN Cc1cc(C)c(CC(=O)NCc2cccc(Br)c2O)c(=O)[nH]1 ZINC000907758295 736664463 /nfs/dbraw/zinc/66/44/63/736664463.db2.gz OEWCCPPRWRADLJ-UHFFFAOYSA-N 0 0 365.227 2.731 20 10 FFCDRN O=C(NC[C@@H](CO)Cc1ccc(Br)cc1)C1=CC(=O)CS1 ZINC000760910829 736679169 /nfs/dbraw/zinc/67/91/69/736679169.db2.gz JMOWDVAAJMFAAB-NSHDSACASA-N 0 0 370.268 2.797 20 10 FFCDRN COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1O ZINC000761198100 736706109 /nfs/dbraw/zinc/70/61/09/736706109.db2.gz HFABKXGDASRYCH-DZGCQCFKSA-N 0 0 359.875 2.596 20 10 FFCDRN CC(C)(CCCO)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761417056 736732335 /nfs/dbraw/zinc/73/23/35/736732335.db2.gz BSNGMTUAXRYEEH-UHFFFAOYSA-N 0 0 354.834 2.609 20 10 FFCDRN CC[C@@H](NC(=O)C1=CC(=O)CS1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000761610366 736748357 /nfs/dbraw/zinc/74/83/57/736748357.db2.gz YGLXUIOOKXUTRM-SJORKVTESA-N 0 0 360.479 2.863 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCSCCCO)c2C)cc1 ZINC000761749912 736758628 /nfs/dbraw/zinc/75/86/28/736758628.db2.gz KQIYIBNMCBFFMC-UHFFFAOYSA-N 0 0 362.495 2.948 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000761971732 736778235 /nfs/dbraw/zinc/77/82/35/736778235.db2.gz BBXFBJXRBMDCSW-LBPRGKRZSA-N 0 0 363.435 2.685 20 10 FFCDRN C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@@H]1CCCOC1 ZINC000764805042 737051670 /nfs/dbraw/zinc/05/16/70/737051670.db2.gz IECYKAFNQOPTCZ-ZYHUDNBSSA-N 0 0 357.248 2.769 20 10 FFCDRN CC(C)(C)n1cnc(NC(=O)NCc2cccc(Br)c2O)n1 ZINC000765346092 737110518 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CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000769639689 737548699 /nfs/dbraw/zinc/54/86/99/737548699.db2.gz TXCFBPXSWSFYEC-HZSPNIEDSA-N 0 0 366.483 2.852 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1nccs1 ZINC000770231754 737608154 /nfs/dbraw/zinc/60/81/54/737608154.db2.gz XIQIZMVKAWQOBZ-UHFFFAOYSA-N 0 0 371.384 2.929 20 10 FFCDRN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cccc(Br)c1[O-] ZINC000770346154 737617711 /nfs/dbraw/zinc/61/77/11/737617711.db2.gz DDXZOTJNNGDWSE-VNQPRFMTSA-N 0 0 369.303 2.838 20 10 FFCDRN C[C@H]1CN(c2ccc(CNS(=O)(=O)CCC3CC3)cc2F)C[C@H](C)O1 ZINC000770652891 737649736 /nfs/dbraw/zinc/64/97/36/737649736.db2.gz XESIXBOWMBCTFY-KBPBESRZSA-N 0 0 370.490 2.659 20 10 FFCDRN O=S(=O)(CC1CCC1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000771770057 737754220 /nfs/dbraw/zinc/75/42/20/737754220.db2.gz CESSZSDTYQHNTL-CQSZACIVSA-N 0 0 374.453 2.976 20 10 FFCDRN COc1cccc2c1O[C@H](c1cc(O)cc(Br)c1O)NC2=O ZINC000917500689 737761379 /nfs/dbraw/zinc/76/13/79/737761379.db2.gz FXCZDFWJEIBFHH-OAHLLOKOSA-N 0 0 366.167 2.690 20 10 FFCDRN C[C@H]1CCCN(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000917926839 737784519 /nfs/dbraw/zinc/78/45/19/737784519.db2.gz NAWBVGDBAUWGLC-HNNXBMFYSA-N 0 0 351.516 2.694 20 10 FFCDRN Cc1cc(CC(=O)N2CCCS2(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000918485829 737806297 /nfs/dbraw/zinc/80/62/97/737806297.db2.gz BQHKDSMVXHIHCI-UHFFFAOYSA-N 0 0 366.870 2.852 20 10 FFCDRN O=C(CCn1cc(Cl)cn1)NCc1ccc(N2CCSCC2)cc1 ZINC000918617544 737814258 /nfs/dbraw/zinc/81/42/58/737814258.db2.gz XAOAAEKFZSLYPC-UHFFFAOYSA-N 0 0 364.902 2.796 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H](O)Cc2ccccc2Cl)cc1F ZINC000772597036 737825843 /nfs/dbraw/zinc/82/58/43/737825843.db2.gz QCAQQTPRJDGFQZ-KRWDZBQOSA-N 0 0 350.821 2.765 20 10 FFCDRN CCC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773005761 737863175 /nfs/dbraw/zinc/86/31/75/737863175.db2.gz CWKKNJOESGNCRQ-BBRMVZONSA-N 0 0 351.516 2.578 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1scnc1Cl ZINC000919695200 737872320 /nfs/dbraw/zinc/87/23/20/737872320.db2.gz PYNKZRSINYVDJK-UHFFFAOYSA-N 0 0 351.859 2.905 20 10 FFCDRN C[C@@H](NC(=O)NCCCN(C)CC(F)(F)F)c1ccc(N(C)C)cc1 ZINC000773232894 737883522 /nfs/dbraw/zinc/88/35/22/737883522.db2.gz WKAHDNFPZCJKKT-CYBMUJFWSA-N 0 0 360.424 2.997 20 10 FFCDRN CN1C(=O)C(=CNc2ccc(Cl)cc2C(F)(F)F)C(=O)N(C)C1=O ZINC000920976936 737937515 /nfs/dbraw/zinc/93/75/15/737937515.db2.gz SPCYMNBACYWFGG-UHFFFAOYSA-N 0 0 361.707 2.705 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cnc1Cl ZINC000773860315 737940030 /nfs/dbraw/zinc/94/00/30/737940030.db2.gz YAJSADBPOFOJCH-GFCCVEGCSA-N 0 0 360.845 2.925 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](C)CN2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974120 738046883 /nfs/dbraw/zinc/04/68/83/738046883.db2.gz JCZJDKRUMBNBJC-HZSPNIEDSA-N 0 0 351.447 2.765 20 10 FFCDRN COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000775581354 738103235 /nfs/dbraw/zinc/10/32/35/738103235.db2.gz ZAZAYMMKCXPJCN-XQQFMLRXSA-N 0 0 351.403 2.818 20 10 FFCDRN C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Cl)cc(F)c1[O-] ZINC000775733842 738118756 /nfs/dbraw/zinc/11/87/56/738118756.db2.gz JADMCBHHBNRCQM-UHFFFAOYSA-N 0 0 362.788 2.913 20 10 FFCDRN COC(=O)[C@H](COC(C)C)N(C)Cc1cc(Br)cc(C)c1O ZINC000775740012 738120041 /nfs/dbraw/zinc/12/00/41/738120041.db2.gz JJQOWPQIROAVBC-AWEZNQCLSA-N 0 0 374.275 2.862 20 10 FFCDRN O=C(c1ccn(C(F)F)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000775782291 738124632 /nfs/dbraw/zinc/12/46/32/738124632.db2.gz VSRVVUUKXXQBEG-ZDUSSCGKSA-N 0 0 351.353 2.805 20 10 FFCDRN Cc1cnc(Br)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000776042668 738155376 /nfs/dbraw/zinc/15/53/76/738155376.db2.gz ODUPGTOVHJKKNL-UHFFFAOYSA-N 0 0 366.215 2.928 20 10 FFCDRN Cn1nnc2c1C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC000922992094 738228212 /nfs/dbraw/zinc/22/82/12/738228212.db2.gz OBXHCBCOOPEGCE-JTQLQIEISA-N 0 0 371.666 2.584 20 10 FFCDRN COc1ccc(OCCCS(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000776747847 738229051 /nfs/dbraw/zinc/22/90/51/738229051.db2.gz ODKYFQAGVUEPJU-UHFFFAOYSA-N 0 0 351.424 2.920 20 10 FFCDRN Cc1cc(O)ccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000777934792 738332948 /nfs/dbraw/zinc/33/29/48/738332948.db2.gz WKGGRBAKRNBSPW-UHFFFAOYSA-N 0 0 362.329 2.838 20 10 FFCDRN C[C@@H]1CCN(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000777955590 738335243 /nfs/dbraw/zinc/33/52/43/738335243.db2.gz PYPYDJRWNQGSBF-MRXNPFEDSA-N 0 0 351.516 2.695 20 10 FFCDRN Cc1cccc(CCCOC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000778108097 738354302 /nfs/dbraw/zinc/35/43/02/738354302.db2.gz RDCZBJDLTJULJQ-UHFFFAOYSA-N 0 0 363.435 2.862 20 10 FFCDRN O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCC(=O)c1ccc(O)c(O)c1 ZINC000785938106 739011880 /nfs/dbraw/zinc/01/18/80/739011880.db2.gz ZQIPPNSTGNGKQX-UHFFFAOYSA-N 0 0 365.725 2.628 20 10 FFCDRN CCCC(C)(C)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000787087573 739103599 /nfs/dbraw/zinc/10/35/99/739103599.db2.gz 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/nfs/dbraw/zinc/38/41/66/739384166.db2.gz PUPMTDSTZVNQRL-NSHDSACASA-N 0 0 360.845 2.925 20 10 FFCDRN COc1ccc(CCS(=O)(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000790025897 739408662 /nfs/dbraw/zinc/40/86/62/739408662.db2.gz HYVGXSZNASSXBJ-CYBMUJFWSA-N 0 0 365.451 2.633 20 10 FFCDRN COc1ccc(N2C(=O)/C(=C\c3cccc(OC)n3)SC2=S)cn1 ZINC000790107300 739418890 /nfs/dbraw/zinc/41/88/90/739418890.db2.gz GLLGQORGYLSXGV-XYOKQWHBSA-N 0 0 359.432 2.900 20 10 FFCDRN COc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)ccc1Cl ZINC000790145357 739422398 /nfs/dbraw/zinc/42/23/98/739422398.db2.gz BSNCFLJQPVTHPI-UHFFFAOYSA-N 0 0 370.814 2.678 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1ccc(OC)c(NC(C)=O)c1 ZINC000790415447 739450959 /nfs/dbraw/zinc/45/09/59/739450959.db2.gz FYXPIGGTYKZKIB-UHFFFAOYSA-N 0 0 364.423 2.722 20 10 FFCDRN CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1cccc(O)c1O ZINC000790576073 739470974 /nfs/dbraw/zinc/47/09/74/739470974.db2.gz INABZNISWUXMLI-GFCCVEGCSA-N 0 0 350.415 2.617 20 10 FFCDRN CSc1c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cnn1C ZINC000790808170 739497881 /nfs/dbraw/zinc/49/78/81/739497881.db2.gz MKHGKHNVDLOBCZ-CQSZACIVSA-N 0 0 361.467 2.669 20 10 FFCDRN CCNC(=O)COc1cccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC000790949100 739517918 /nfs/dbraw/zinc/51/79/18/739517918.db2.gz QOWVUVDYIDDCSS-UHFFFAOYSA-N 0 0 366.820 2.989 20 10 FFCDRN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NCc1ccccc1O ZINC000792057526 739631986 /nfs/dbraw/zinc/63/19/86/739631986.db2.gz QFUAOIYCUZCVDQ-CYBMUJFWSA-N 0 0 351.447 2.837 20 10 FFCDRN O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2c([O-])ccc(Cl)c2F)C1 ZINC000792179660 739647752 /nfs/dbraw/zinc/64/77/52/739647752.db2.gz JQMPIYNVTKYVDX-QMMMGPOBSA-N 0 0 354.731 2.685 20 10 FFCDRN Cn1nc(C(F)F)c2cc(C(=O)NCc3ccc(O)c(O)c3)sc21 ZINC000792237256 739654211 /nfs/dbraw/zinc/65/42/11/739654211.db2.gz ANDLNYGXGPFFRP-UHFFFAOYSA-N 0 0 353.350 2.914 20 10 FFCDRN COC(=O)Cc1cccc(NC(=O)NCCCSc2nccs2)n1 ZINC000792410714 739669482 /nfs/dbraw/zinc/66/94/82/739669482.db2.gz 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/nfs/dbraw/zinc/00/93/57/740009357.db2.gz GNVCFTIIQHPJCG-UHFFFAOYSA-N 0 0 361.341 2.898 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2cc(C)c(OC)c(C)c2)c(O)c1 ZINC000795357420 740009811 /nfs/dbraw/zinc/00/98/11/740009811.db2.gz NZVQVAFNWLCEPB-UHFFFAOYSA-N 0 0 351.424 2.505 20 10 FFCDRN C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cc(Br)c(F)cc1[O-] ZINC000795826915 740068137 /nfs/dbraw/zinc/06/81/37/740068137.db2.gz CQDQMTDHRMFVST-DCAQKATOSA-N 0 0 362.239 2.589 20 10 FFCDRN COc1cccc(CNc2cc(S(=O)(=O)N(C)C)ccc2C)c1O ZINC000796362129 740135991 /nfs/dbraw/zinc/13/59/91/740135991.db2.gz KVVGKFUSOJWXPS-UHFFFAOYSA-N 0 0 350.440 2.572 20 10 FFCDRN CC(=O)c1cc(F)cc(CN(CCO)Cc2cccnc2Cl)c1O ZINC000796561506 740154656 /nfs/dbraw/zinc/15/46/56/740154656.db2.gz NAPMZOXAJGAFRW-UHFFFAOYSA-N 0 0 352.793 2.777 20 10 FFCDRN Cc1[nH]c(=O)c(Br)cc1C(=O)N(C)Cc1ccccc1O ZINC000797188080 740220914 /nfs/dbraw/zinc/22/09/14/740220914.db2.gz CMZUQXOGJUTDHH-UHFFFAOYSA-N 0 0 351.200 2.836 20 10 FFCDRN COc1cc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)ccc1O ZINC000797819911 740275862 /nfs/dbraw/zinc/27/58/62/740275862.db2.gz WBVZHKLKNCGCHL-UHFFFAOYSA-N 0 0 352.368 2.727 20 10 FFCDRN CCOC(=O)[C@@]1(COC)CCC[N@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000798963600 740377848 /nfs/dbraw/zinc/37/78/48/740377848.db2.gz HVTLREPMCBQBPH-KRWDZBQOSA-N 0 0 359.825 2.976 20 10 FFCDRN C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)c1cc(F)cc(F)c1[O-] ZINC000800504966 740529502 /nfs/dbraw/zinc/52/95/02/740529502.db2.gz QUTVLQKQQAKOBG-ZDUSSCGKSA-N 0 0 369.433 2.979 20 10 FFCDRN Cc1cc(CC(=O)OC[C@@H]2CNC(=O)O2)c(C)n1-c1ccc(Cl)cc1 ZINC000801214819 740594153 /nfs/dbraw/zinc/59/41/53/740594153.db2.gz VDLCMSQALKFDOL-INIZCTEOSA-N 0 0 362.813 2.942 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCCCSc1nccs1)c1ccsc1 ZINC000804077730 740847111 /nfs/dbraw/zinc/84/71/11/740847111.db2.gz BRXWXFIHJKHTCU-SNVBAGLBSA-N 0 0 355.510 2.680 20 10 FFCDRN Nc1cc(NCc2cccc(Br)c2O)cc(CO)c1[N+](=O)[O-] ZINC000804654096 740892955 /nfs/dbraw/zinc/89/29/55/740892955.db2.gz 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741230714 /nfs/dbraw/zinc/23/07/14/741230714.db2.gz PGQVGERCKLDPDL-UHFFFAOYSA-N 0 0 363.366 2.763 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(C)cc2)c1C(F)(F)F ZINC000808503946 741230736 /nfs/dbraw/zinc/23/07/36/741230736.db2.gz PECWNSXVRNWXJN-UHFFFAOYSA-N 0 0 354.284 2.514 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1[nH]c2ccc(Br)cc2c1Cl ZINC000808505734 741230742 /nfs/dbraw/zinc/23/07/42/741230742.db2.gz NICOYZNUUSBSEN-UHFFFAOYSA-N 0 0 358.575 2.899 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccc(Br)cc1Br ZINC000808532661 741232975 /nfs/dbraw/zinc/23/29/75/741232975.db2.gz GKIHTOFFGOASBX-UHFFFAOYSA-N 0 0 363.989 2.527 20 10 FFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000809711105 741335355 /nfs/dbraw/zinc/33/53/55/741335355.db2.gz JWEQWYVWGMBTMU-LBPRGKRZSA-N 0 0 356.747 2.537 20 10 FFCDRN COc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)F)[C@@H]2C)c1 ZINC000809769568 741341957 /nfs/dbraw/zinc/34/19/57/741341957.db2.gz OUHNIDHMFIJMBA-PGUXBMHVSA-N 0 0 360.376 2.678 20 10 FFCDRN 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ASPZDIDXQIOQOY-UHFFFAOYSA-N 0 0 356.256 2.955 20 10 FFCDRN COC[C@H](C)OC[C@H](O)CN1C[C@@H](C(C)C)Cc2cc(OC)ccc21 ZINC000817298819 742120827 /nfs/dbraw/zinc/12/08/27/742120827.db2.gz PPQLXJODPRQZJH-RYQLBKOJSA-N 0 0 351.487 2.742 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(C)(=O)=O)s1 ZINC000817524767 742160769 /nfs/dbraw/zinc/16/07/69/742160769.db2.gz GKGARKUEHGFBRN-UHFFFAOYSA-N 0 0 366.508 2.880 20 10 FFCDRN COCc1nc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cs1 ZINC000819582245 742410954 /nfs/dbraw/zinc/41/09/54/742410954.db2.gz JKGNXWCBIKKRCF-CYBMUJFWSA-N 0 0 361.467 2.554 20 10 FFCDRN CN(CC(F)F)C1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)CC1 ZINC000820361281 742496091 /nfs/dbraw/zinc/49/60/91/742496091.db2.gz LFVQQFYWXVPQRS-UHFFFAOYSA-N 0 0 353.373 2.651 20 10 FFCDRN CCNc1ncc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000822371443 742724219 /nfs/dbraw/zinc/72/42/19/742724219.db2.gz VGHGFCIPKUXKKB-ZDUSSCGKSA-N 0 0 360.483 2.840 20 10 FFCDRN COC(=O)c1conc1C(C)(C)NCc1cc(Br)ccc1O ZINC000822534712 742749448 /nfs/dbraw/zinc/74/94/48/742749448.db2.gz UPSZRLHCMLLSMO-UHFFFAOYSA-N 0 0 369.215 2.954 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3cscn3)cc2F)C[C@H](C)O1 ZINC000822688418 742770107 /nfs/dbraw/zinc/77/01/07/742770107.db2.gz PYAXKVBASDNKHE-BETUJISGSA-N 0 0 363.458 2.755 20 10 FFCDRN O=C(c1ccco1)N1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824490363 743090840 /nfs/dbraw/zinc/09/08/40/743090840.db2.gz HGNSBXZPMSBAMO-UHFFFAOYSA-N 0 0 365.227 2.706 20 10 FFCDRN CCOC(=O)[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CC12COC2 ZINC000824490144 743090927 /nfs/dbraw/zinc/09/09/27/743090927.db2.gz XPTLGRZNBRXVMG-GFCCVEGCSA-N 0 0 360.237 2.711 20 10 FFCDRN COc1ccc(C)cc1CNc1cc(CNS(C)(=O)=O)ccc1OC ZINC000824935214 743181890 /nfs/dbraw/zinc/18/18/90/743181890.db2.gz DNXCNZDXAJFHOL-UHFFFAOYSA-N 0 0 364.467 2.674 20 10 FFCDRN COc1ccc(N2CCN(Cc3cc(Cl)cc(OC)c3O)CC2)nc1 ZINC000825305083 743244862 /nfs/dbraw/zinc/24/48/62/743244862.db2.gz CMQYAJWDHZRSIF-UHFFFAOYSA-N 0 0 363.845 2.780 20 10 FFCDRN Cc1nccnc1N1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000825773790 743325703 /nfs/dbraw/zinc/32/57/03/743325703.db2.gz PMFMLQWCZJODBV-UHFFFAOYSA-N 0 0 363.259 2.575 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)c1 ZINC000827132314 743515093 /nfs/dbraw/zinc/51/50/93/743515093.db2.gz KWVAVDGSXNIYLK-BXUZGUMPSA-N 0 0 353.260 2.564 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@H]2CSc3ccccc3O2)c1O ZINC000827429515 743573885 /nfs/dbraw/zinc/57/38/85/743573885.db2.gz GQABKDIDQKOJIC-ZDUSSCGKSA-N 0 0 360.435 2.753 20 10 FFCDRN COc1cccc(O)c1CN1CC(O)(c2ccc(Br)cc2)C1 ZINC000827757536 744972297 /nfs/dbraw/zinc/97/22/97/744972297.db2.gz DIBXUKFKKGTJCA-UHFFFAOYSA-N 0 0 364.239 2.867 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc2n1CCC2 ZINC000830150680 745314805 /nfs/dbraw/zinc/31/48/05/745314805.db2.gz QTSDTNNUMSMMHA-UHFFFAOYSA-N 0 0 364.243 2.960 20 10 FFCDRN O=C(NC[C@@H]1CCC2(CCOCC2)O1)c1cc2cc(O)c(O)cc2s1 ZINC000832423306 745696560 /nfs/dbraw/zinc/69/65/60/745696560.db2.gz XZNKGKKJYPTDJJ-LBPRGKRZSA-N 0 0 363.435 2.771 20 10 FFCDRN CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000834880979 745918227 /nfs/dbraw/zinc/91/82/27/745918227.db2.gz WNIOAXNJOPYRAP-FEUHOPSXSA-N 0 0 362.239 2.996 20 10 FFCDRN CO[C@@H]1COCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000834880981 745918680 /nfs/dbraw/zinc/91/86/80/745918680.db2.gz WNIOAXNJOPYRAP-IQMDTDKHSA-N 0 0 362.239 2.996 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)NCc2cc(Br)ccc2O)c2nccn21 ZINC000836629344 746272284 /nfs/dbraw/zinc/27/22/84/746272284.db2.gz UQEGQYKZDOSZRV-CABZTGNLSA-N 0 0 365.231 2.856 20 10 FFCDRN CCn1ccnc1[C@@H](C)NC(=O)NCc1cccc(Br)c1O ZINC000836628862 746272325 /nfs/dbraw/zinc/27/23/25/746272325.db2.gz WUVGCOMYTPQFSI-SNVBAGLBSA-N 0 0 367.247 2.932 20 10 FFCDRN CC(C)(O)C(C)(C)CNC(=O)NCc1cc(Br)ccc1O ZINC000836652546 746276508 /nfs/dbraw/zinc/27/65/08/746276508.db2.gz CUFAKLKSXBCPGM-UHFFFAOYSA-N 0 0 359.264 2.751 20 10 FFCDRN CCO[C@@H]1CCC[C@H]1NC(=O)NCc1cc(Br)ccc1O ZINC000836665730 746278792 /nfs/dbraw/zinc/27/87/92/746278792.db2.gz KYMGHPBXNXEMPP-TZMCWYRMSA-N 0 0 357.248 2.912 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C(C1CC1)C1CC1 ZINC000837709505 746503870 /nfs/dbraw/zinc/50/38/70/746503870.db2.gz YFBQFPMJNIFSRS-UHFFFAOYSA-N 0 0 350.409 2.854 20 10 FFCDRN C[C@H](O)[C@@H]1CCN(c2cc(NCCCSc3nccs3)ncn2)C1 ZINC000840259424 747050717 /nfs/dbraw/zinc/05/07/17/747050717.db2.gz DPAXTSACUGCSPF-QWHCGFSZSA-N 0 0 365.528 2.735 20 10 FFCDRN C[C@@H]1C[C@H](CNC(=O)NCc2cccc(Br)c2O)[C@@H](C)O1 ZINC000840431762 747091527 /nfs/dbraw/zinc/09/15/27/747091527.db2.gz DIYZZWSGAQRZCU-CKYFFXLPSA-N 0 0 357.248 2.767 20 10 FFCDRN C[C@H](NC(=O)NCc1cc(Br)ccc1O)c1csnn1 ZINC000840463301 747101099 /nfs/dbraw/zinc/10/10/99/747101099.db2.gz XFDGLPXWSXLDKD-ZETCQYMHSA-N 0 0 357.233 2.567 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000840482447 747104301 /nfs/dbraw/zinc/10/43/01/747104301.db2.gz XFHULUWFNKJMNI-SWLSCSKDSA-N 0 0 361.408 2.557 20 10 FFCDRN CC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccn(C)n1 ZINC000840758202 747174585 /nfs/dbraw/zinc/17/45/85/747174585.db2.gz DKNZNUWKDXCVRR-MRXNPFEDSA-N 0 0 350.413 2.776 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000840825570 747192928 /nfs/dbraw/zinc/19/29/28/747192928.db2.gz HIVDBCYMOAMWLX-RKDXNWHRSA-N 0 0 361.667 2.985 20 10 FFCDRN Cc1cc(O)c(CN2CCc3cc(S(N)(=O)=O)ccc32)c(Cl)c1 ZINC000840907528 747221072 /nfs/dbraw/zinc/22/10/72/747221072.db2.gz GDOJLHXIOHSPKJ-UHFFFAOYSA-N 0 0 352.843 2.564 20 10 FFCDRN Cc1cc([N-]S(=O)(=O)c2cccc3nsnc32)ccc1C[NH+](C)C ZINC000840953458 747241681 /nfs/dbraw/zinc/24/16/81/747241681.db2.gz QPRCYJUPBMZKDC-UHFFFAOYSA-N 0 0 362.480 2.862 20 10 FFCDRN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000840974396 747248063 /nfs/dbraw/zinc/24/80/63/747248063.db2.gz IWHRRLPTWVJXMF-AWEZNQCLSA-N 0 0 367.833 2.931 20 10 FFCDRN CCc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)Nc1ccc(N)cc1)CCC2 ZINC000841109776 747271428 /nfs/dbraw/zinc/27/14/28/747271428.db2.gz CMCJZWQQAGGGTA-AWEZNQCLSA-N 0 0 358.467 2.762 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nc2c(s1)CCC2 ZINC000841380670 747330383 /nfs/dbraw/zinc/33/03/83/747330383.db2.gz YOLRRPPTIKRSFC-UHFFFAOYSA-N 0 0 357.479 2.741 20 10 FFCDRN C[C@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)[C@@H](C)S(C)(=O)=O ZINC000841402714 747338735 /nfs/dbraw/zinc/33/87/35/747338735.db2.gz GMNJVEULLGMBJE-UONOGXRCSA-N 0 0 365.451 2.583 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cc(C)n(CC(F)(F)F)n2)c(O)c1 ZINC000841806419 747466939 /nfs/dbraw/zinc/46/69/39/747466939.db2.gz HLJQZHLQEHLVKX-UHFFFAOYSA-N 0 0 358.320 2.790 20 10 FFCDRN C[C@@]1(O)C[C@H]([NH2+]Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000841890944 747482718 /nfs/dbraw/zinc/48/27/18/747482718.db2.gz HCRDUUCHPMZIBP-WVSHTKLVSA-N 0 0 365.065 2.920 20 10 FFCDRN CC[C@H](CSCC(=O)N1CCN(c2ccc(OC)cc2)CC1)OC ZINC000842197519 747544091 /nfs/dbraw/zinc/54/40/91/747544091.db2.gz SZMAIYCNUQCTJF-MRXNPFEDSA-N 0 0 352.500 2.502 20 10 FFCDRN C[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)c2nccn21 ZINC000842256116 747558004 /nfs/dbraw/zinc/55/80/04/747558004.db2.gz GHDZYULCDHAWQF-MFKMUULPSA-N 0 0 360.801 2.712 20 10 FFCDRN C[C@@H]([NH2+]CCCc1ncn(C)n1)c1cc(Br)cc(F)c1[O-] ZINC000842903521 747717026 /nfs/dbraw/zinc/71/70/26/747717026.db2.gz QLMJXSBIFPYZQK-SECBINFHSA-N 0 0 357.227 2.706 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H]2CSc3ccccc3O2)ccc1[N+](=O)[O-] ZINC000843418761 747833450 /nfs/dbraw/zinc/83/34/50/747833450.db2.gz XXSSJODQNPOTTE-LBPRGKRZSA-N 0 0 362.407 2.952 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@@H]1CCC(=O)C1 ZINC000843808821 747900091 /nfs/dbraw/zinc/90/00/91/747900091.db2.gz SLWGURVPBDSRNB-CHWSQXEVSA-N 0 0 352.381 2.742 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C[C@@H](C)n2cc(Br)cn2)c1 ZINC000843831147 747906100 /nfs/dbraw/zinc/90/61/00/747906100.db2.gz NBKHPZAQHCMSAT-SNVBAGLBSA-N 0 0 368.231 2.627 20 10 FFCDRN CCC(=O)CNC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843841201 747909365 /nfs/dbraw/zinc/90/93/65/747909365.db2.gz IRTWWUOEUDNQSJ-UHFFFAOYSA-N 0 0 364.243 2.961 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2C[C@@H](O)C2)c(C)n1-c1ccc(Br)cn1 ZINC000844144281 747977657 /nfs/dbraw/zinc/97/76/57/747977657.db2.gz KUJOPAJIKXYZJU-BETUJISGSA-N 0 0 364.243 2.505 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2F)SC1=S ZINC000844268961 747994338 /nfs/dbraw/zinc/99/43/38/747994338.db2.gz VLDWVZPMHOEYGL-JYRVWZFOSA-N 0 0 369.439 2.989 20 10 FFCDRN Cn1cc([C@@H](NC(=O)NCc2cc(Cl)ccc2O)C(F)(F)F)cn1 ZINC000844647091 748063962 /nfs/dbraw/zinc/06/39/62/748063962.db2.gz JEKOQWFHQLUWOO-GFCCVEGCSA-N 0 0 362.739 2.882 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1COC2(CCCCC2)O1 ZINC000845090928 748177731 /nfs/dbraw/zinc/17/77/31/748177731.db2.gz BRBUXWHLXXQAHH-AWEZNQCLSA-N 0 0 354.834 2.921 20 10 FFCDRN CCOCC(C)(C)CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000845199072 748203735 /nfs/dbraw/zinc/20/37/35/748203735.db2.gz BKQOYGIEGAWGDB-UHFFFAOYSA-N 0 0 351.491 2.836 20 10 FFCDRN CSCC1(CC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000845350520 748237731 /nfs/dbraw/zinc/23/77/31/748237731.db2.gz CVSBRJSTQKJZFA-UHFFFAOYSA-N 0 0 364.511 2.788 20 10 FFCDRN C[C@H](COCC1CC1)NC(=O)NCc1cc(Br)ccc1O ZINC000845588728 748287920 /nfs/dbraw/zinc/28/79/20/748287920.db2.gz XQRFLYWRZSQJQU-SNVBAGLBSA-N 0 0 357.248 2.769 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cccc3c2OCCC3)cc1F ZINC000845837438 748334885 /nfs/dbraw/zinc/33/48/85/748334885.db2.gz PSEHVEGUMVWBSU-UHFFFAOYSA-N 0 0 364.442 2.695 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F ZINC000845931281 748355424 /nfs/dbraw/zinc/35/54/24/748355424.db2.gz QSQUVGMKEFSHDG-WXHSDQCUSA-N 0 0 361.360 2.893 20 10 FFCDRN O=S(=O)(CCc1ccc2c(c1)CCO2)NCc1cc(Cl)ccc1O ZINC000845997222 748378641 /nfs/dbraw/zinc/37/86/41/748378641.db2.gz ZABRQCZOCLTVDF-UHFFFAOYSA-N 0 0 367.854 2.643 20 10 FFCDRN CCOc1ccc(O)c(CN[C@H](C(=O)OC)[C@@H]2CCC[C@@H](OC)C2)c1 ZINC000846110680 748408827 /nfs/dbraw/zinc/40/88/27/748408827.db2.gz YYDRUPKGZVVXEZ-SIIHOXLZSA-N 0 0 351.443 2.627 20 10 FFCDRN COC(=O)[C@H](NCc1cc(Cl)cc(OC)c1O)[C@H]1CCC[C@@H](OC)C1 ZINC000846108585 748409068 /nfs/dbraw/zinc/40/90/68/748409068.db2.gz PCWKDDUMVRPTBC-SGIREYDYSA-N 0 0 371.861 2.891 20 10 FFCDRN CCN1C[C@@H](C[NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1=O ZINC000846208826 748430994 /nfs/dbraw/zinc/43/09/94/748430994.db2.gz MEBXEQKSMAFUFC-VHSXEESVSA-N 0 0 359.239 2.813 20 10 FFCDRN C[C@@H]([NH2+]CC[C@@]1(O)CCCOC1)c1cc(Br)cc(F)c1[O-] ZINC000846212156 748431648 /nfs/dbraw/zinc/43/16/48/748431648.db2.gz LAFZUYZTXUQCFW-BMIGLBTASA-N 0 0 362.239 2.876 20 10 FFCDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1cc(Cl)ccc1O ZINC000846472590 748486916 /nfs/dbraw/zinc/48/69/16/748486916.db2.gz AWQQMHLZWFUXMP-LBPRGKRZSA-N 0 0 361.891 2.903 20 10 FFCDRN C/C(=C\c1cccnc1)C(=O)N1CCCc2cc(S(C)(=O)=O)ccc21 ZINC000846816532 748550342 /nfs/dbraw/zinc/55/03/42/748550342.db2.gz IRCKYWSDCYEZIP-SDNWHVSQSA-N 0 0 356.447 2.868 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@H](NC(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000848392182 748917792 /nfs/dbraw/zinc/91/77/92/748917792.db2.gz WKWSAGDVNBBXMN-SECBINFHSA-N 0 0 354.350 2.639 20 10 FFCDRN CCn1ncnc1CN[C@H](C)c1cc(Br)cc(OC)c1O ZINC000848549571 748957519 /nfs/dbraw/zinc/95/75/19/748957519.db2.gz RFEKTSACXRYHBA-SECBINFHSA-N 0 0 355.236 2.626 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)c(F)cc1[O-] ZINC000848564227 748961391 /nfs/dbraw/zinc/96/13/91/748961391.db2.gz JYYANMHMDLCFMI-DTWKUNHWSA-N 0 0 369.238 2.630 20 10 FFCDRN C[C@H](C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC000848563116 748961515 /nfs/dbraw/zinc/96/15/15/748961515.db2.gz OVIMZGCNEZKGPZ-UTUOFQBUSA-N 0 0 357.838 2.541 20 10 FFCDRN COCC[N@@H+](Cc1cc(Br)ccc1O)C[C@@H](O)C(F)(F)F ZINC000848921470 749034709 /nfs/dbraw/zinc/03/47/09/749034709.db2.gz BQFMCLRHCSIGCS-GFCCVEGCSA-N 0 0 372.181 2.526 20 10 FFCDRN COC(=O)C1(CS(=O)(=O)Nc2ccc(O)cc2Cl)CCCCC1 ZINC000849308018 749096118 /nfs/dbraw/zinc/09/61/18/749096118.db2.gz DMRKSFAVZFBVEV-UHFFFAOYSA-N 0 0 361.847 2.911 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(C)s3)C2)cc1 ZINC000849416295 749142854 /nfs/dbraw/zinc/14/28/54/749142854.db2.gz OFYPGYBNNJHJLI-ZDUSSCGKSA-N 0 0 352.481 2.622 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3cc(C)cs3)C2)cc1 ZINC000849417058 749143269 /nfs/dbraw/zinc/14/32/69/749143269.db2.gz HZOLZFGNDRHVCX-ZDUSSCGKSA-N 0 0 352.481 2.622 20 10 FFCDRN COC[C@@H](CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])OC ZINC000850485632 749372162 /nfs/dbraw/zinc/37/21/62/749372162.db2.gz MFHNZLGRYBWHFF-NXEZZACHSA-N 0 0 350.228 2.996 20 10 FFCDRN COC(=O)c1cnc([C@H](C)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000850488825 749372791 /nfs/dbraw/zinc/37/27/91/749372791.db2.gz UKVWCMSKOYJBDM-QWHCGFSZSA-N 0 0 361.467 2.868 20 10 FFCDRN C[C@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000850506582 749377140 /nfs/dbraw/zinc/37/71/40/749377140.db2.gz FVBBRYHYRDANHL-BONVTDFDSA-N 0 0 350.242 2.518 20 10 FFCDRN COc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000851781453 749673550 /nfs/dbraw/zinc/67/35/50/749673550.db2.gz XMHMJBIZJHEKQS-LBPRGKRZSA-N 0 0 352.431 2.940 20 10 FFCDRN CNS(=O)(=O)c1ccc(CN(C)c2ccc(OC)c(Cl)c2)cc1 ZINC000851807570 749682469 /nfs/dbraw/zinc/68/24/69/749682469.db2.gz FOPISHAPODDUBD-UHFFFAOYSA-N 0 0 354.859 2.893 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@H]1COC2(CCC2)C1 ZINC000851991754 749745466 /nfs/dbraw/zinc/74/54/66/749745466.db2.gz VFEQLNRJDYKBJJ-MRXNPFEDSA-N 0 0 361.511 2.751 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3ccc(Cl)cn3)C2)cc1 ZINC000852238824 749811912 /nfs/dbraw/zinc/81/19/12/749811912.db2.gz FNJBAFBFCXKBPF-HNNXBMFYSA-N 0 0 360.845 2.822 20 10 FFCDRN C[C@@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)CC(F)F ZINC000852391774 749851202 /nfs/dbraw/zinc/85/12/02/749851202.db2.gz BIYQATFCHJWYAW-CYBMUJFWSA-N 0 0 355.429 2.738 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1SCCS1 ZINC000853088061 750006286 /nfs/dbraw/zinc/00/62/86/750006286.db2.gz VTFUWWPDQXRKHP-UHFFFAOYSA-N 0 0 358.872 2.616 20 10 FFCDRN Cc1cc(CC(=O)O[C@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000853123818 750012423 /nfs/dbraw/zinc/01/24/23/750012423.db2.gz CUQDWBJPDGLESR-LJQANCHMSA-N 0 0 361.463 2.757 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2cnccc2C(F)(F)F)c1 ZINC000853737913 750149330 /nfs/dbraw/zinc/14/93/30/750149330.db2.gz NGAMPOXEDVRPCS-UHFFFAOYSA-N 0 0 355.316 2.814 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3nnc(C4CC4)s3)C2)cc1 ZINC000853817461 750171850 /nfs/dbraw/zinc/17/18/50/750171850.db2.gz GJKCBUQXSZAKQY-LBPRGKRZSA-N 0 0 359.455 2.825 20 10 FFCDRN CN(C(=O)NCCCSc1nccs1)[C@H](CO)Cc1ccccc1 ZINC000853855973 750183145 /nfs/dbraw/zinc/18/31/45/750183145.db2.gz MZEKZKAIDGTGIJ-HNNXBMFYSA-N 0 0 365.524 2.870 20 10 FFCDRN Nc1ccc(Cc2noc([C@@H](C[C@H]3COCCO3)C(F)(F)F)n2)cc1 ZINC000854133769 750246350 /nfs/dbraw/zinc/24/63/50/750246350.db2.gz JQLRABIMVYWWJE-QWHCGFSZSA-N 0 0 357.332 2.694 20 10 FFCDRN Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 ZINC000055679109 845338013 /nfs/dbraw/zinc/33/80/13/845338013.db2.gz RITQHSHBWUMJAI-UHFFFAOYSA-N 0 0 350.415 2.772 20 10 FFCDRN CCCNC(=O)CSc1ncc(-c2ccc3c(c2)OCCO3)n1CC ZINC000057651338 845376575 /nfs/dbraw/zinc/37/65/75/845376575.db2.gz UHZWXHBYMAERFP-UHFFFAOYSA-N 0 0 361.467 2.960 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1nnc(C(F)F)s1 ZINC000067587612 845510113 /nfs/dbraw/zinc/51/01/13/845510113.db2.gz QQIDWXCNQBXFKR-UHFFFAOYSA-N 0 0 369.397 2.634 20 10 FFCDRN COc1cc(Cl)cc(CNCc2nn(C)cc2Br)c1O ZINC000393356051 845858644 /nfs/dbraw/zinc/85/86/44/845858644.db2.gz TVUXWPGYJFSUNJ-UHFFFAOYSA-N 0 0 360.639 2.840 20 10 FFCDRN COc1ccc(O)c(CNc2ccc(N3CCC(O)CC3)c(C#N)c2)c1 ZINC000180887193 970866761 /nfs/dbraw/zinc/86/67/61/970866761.db2.gz YDGONLOAOFDWMI-UHFFFAOYSA-N 0 0 353.422 2.846 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1cc(F)cc(N2CCOCC2)c1 ZINC000180999321 970879237 /nfs/dbraw/zinc/87/92/37/970879237.db2.gz HHAGELOWCPIENF-DUXPYHPUSA-N 0 0 358.369 2.725 20 10 FFCDRN COC(=O)c1c(CNc2n[nH]c3c2COCC3)c2cc(F)ccc2n1C ZINC000895741713 970903688 /nfs/dbraw/zinc/90/36/88/970903688.db2.gz NRLLKDNDNKVUNR-UHFFFAOYSA-N 0 0 358.373 2.512 20 10 FFCDRN CC1(NC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CCCC1 ZINC000728748576 971034022 /nfs/dbraw/zinc/03/40/22/971034022.db2.gz VTASBCIMBGAIHS-MRXNPFEDSA-N 0 0 358.486 2.520 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H]1CCc2c[nH]nc2C1 ZINC000840325580 971078593 /nfs/dbraw/zinc/07/85/93/971078593.db2.gz YRNMIQZHRBQVPK-WMLDXEAASA-N 0 0 355.486 2.572 20 10 FFCDRN CC(=O)NC[C@@H]1CCCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840489529 971366790 /nfs/dbraw/zinc/36/67/90/971366790.db2.gz RYGNYZQAFHUVMF-AEFFLSMTSA-N 0 0 374.529 2.550 20 10 FFCDRN COC(=O)c1cc(NC(=O)NCc2cccc(OC)c2O)c(F)cc1F ZINC000729555139 971394908 /nfs/dbraw/zinc/39/49/08/971394908.db2.gz HQAZSQOHPCPBEI-UHFFFAOYSA-N 0 0 366.320 2.787 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H](CO)[C@H]3CCCOC3)c2C)cc1 ZINC000840524818 971461790 /nfs/dbraw/zinc/46/17/90/971461790.db2.gz VEBHHOGGJYDFOI-JXFKEZNVSA-N 0 0 372.465 2.620 20 10 FFCDRN C[C@@]1(CO)CCCN1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888588133 1013089879 /nfs/dbraw/zinc/08/98/79/1013089879.db2.gz UITXCZAOVVMMIA-IBGZPJMESA-N 0 0 351.410 2.775 20 10 FFCDRN CC[C@H]([NH2+][C@H]1CCN([C@@H](C(=O)[O-])c2ccccc2)C1=O)c1ccccc1O ZINC001589568985 948895021 /nfs/dbraw/zinc/89/50/21/948895021.db2.gz STCVQUJVCRSXFV-JENIJYKNSA-N 0 0 368.433 2.860 20 10 FFCDRN C[C@@H]1CC=CC[C@H]1NC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000896516849 971532252 /nfs/dbraw/zinc/53/22/52/971532252.db2.gz ABIWGYGPBGBWTB-DNVCBOLYSA-N 0 0 370.497 2.542 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nc2cccnc2s1 ZINC000193863231 971825689 /nfs/dbraw/zinc/82/56/89/971825689.db2.gz PKAKCPCRYJMQOC-UHFFFAOYSA-N 0 0 368.462 2.800 20 10 FFCDRN CC(=O)c1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n(C)c1 ZINC000124284314 972213193 /nfs/dbraw/zinc/21/31/93/972213193.db2.gz WFJWAWLCWMGFBS-CQSZACIVSA-N 0 0 355.438 2.555 20 10 FFCDRN Cc1n[nH]c(C)c1CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000124734675 972354978 /nfs/dbraw/zinc/35/49/78/972354978.db2.gz HMNQFSWAXSSPEN-CQSZACIVSA-N 0 0 356.470 2.673 20 10 FFCDRN Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)c1 ZINC001594373393 958564561 /nfs/dbraw/zinc/56/45/61/958564561.db2.gz XTYQVXSYTSRXON-YJLNNSPDSA-N 0 0 368.433 2.778 20 10 FFCDRN CS(=O)(=O)N(c1ccc(N)cc1)C1=CCCN(Cc2ccccc2)C1 ZINC001174397354 1013180575 /nfs/dbraw/zinc/18/05/75/1013180575.db2.gz VLAAQRNZBJUOAZ-UHFFFAOYSA-N 0 0 357.479 2.825 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)c1O ZINC000175737117 959370289 /nfs/dbraw/zinc/37/02/89/959370289.db2.gz KFCCSWZECAHNCP-UHFFFAOYSA-N 0 0 374.387 2.717 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2nc3nc(C)cc(C)n3n2)cc1 ZINC000728222803 960099249 /nfs/dbraw/zinc/09/92/49/960099249.db2.gz MCMYWRLIFFCMOO-UHFFFAOYSA-N 0 0 366.469 2.860 20 10 FFCDRN CC[C@H](C)C(=O)OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000023519748 960170253 /nfs/dbraw/zinc/17/02/53/960170253.db2.gz SLIFICYSGYCZDT-LBPRGKRZSA-N 0 0 365.385 2.990 20 10 FFCDRN Cc1cc(CC(=O)NCc2cnc3n2CCOC3)c(C)n1-c1ccccc1 ZINC000890848284 960692265 /nfs/dbraw/zinc/69/22/65/960692265.db2.gz HTKVFPDIFOJZTR-UHFFFAOYSA-N 0 0 364.449 2.680 20 10 FFCDRN COC(=O)c1ccc(-n2c(C)cc(C(=O)CN3CCC[C@H](O)C3)c2C)cc1 ZINC000066862978 972529392 /nfs/dbraw/zinc/52/93/92/972529392.db2.gz QFZZMLGWALWVHF-SFHVURJKSA-N 0 0 370.449 2.520 20 10 FFCDRN O=C1C[C@]2(CN1CC(F)F)CCCC[N@H+]2Cc1c(F)ccc(F)c1[O-] ZINC001275957164 1013233333 /nfs/dbraw/zinc/23/33/33/1013233333.db2.gz PCVFXGXWRAGRLA-KRWDZBQOSA-N 0 0 360.351 2.893 20 10 FFCDRN Cc1cc(NCc2ccc(N3CCC(O)CC3)cc2)c2cnn(C)c2n1 ZINC000872602906 1013236248 /nfs/dbraw/zinc/23/62/48/1013236248.db2.gz JHZUYACQJCMWDL-UHFFFAOYSA-N 0 0 351.454 2.850 20 10 FFCDRN CCOC1CC2(C[C@@H]2NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000872852152 1013279016 /nfs/dbraw/zinc/27/90/16/1013279016.db2.gz KOEIHKVBFWCPFS-SYBQKDCBSA-N 0 0 373.497 2.841 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)c2cc(F)c([O-])c(F)c2)[NH+](C)C)cc1 ZINC000891249121 962592875 /nfs/dbraw/zinc/59/28/75/962592875.db2.gz QDWBJLKTYRCIFN-QGZVFWFLSA-N 0 0 363.408 2.769 20 10 FFCDRN COc1ccc(C[NH2+][C@@]2(CO)CCc3ccccc32)cc1Cn1cccn1 ZINC000873090025 1013381521 /nfs/dbraw/zinc/38/15/21/1013381521.db2.gz MKZDFWZQLMDPGA-JOCHJYFZSA-N 0 0 363.461 2.864 20 10 FFCDRN CN1C[C@H](c2ccccc2)[C@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1=O ZINC001276063284 1013389614 /nfs/dbraw/zinc/38/96/14/1013389614.db2.gz CTUFWPDYRXXFTF-WIYYLYMNSA-N 0 0 354.425 2.979 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1cccc(OC)c1 ZINC000175966553 963267579 /nfs/dbraw/zinc/26/75/79/963267579.db2.gz MEZBWRLEAPKWRJ-UHFFFAOYSA-N 0 0 369.465 2.540 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(N2CCOCC2)c(F)c1 ZINC000588404142 963575256 /nfs/dbraw/zinc/57/52/56/963575256.db2.gz RBFHXDOPLRKZGE-KXFIGUGUSA-N 0 0 358.369 2.725 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCOc1ncccc1C(F)(F)F ZINC000588407378 963637664 /nfs/dbraw/zinc/63/76/64/963637664.db2.gz RMTHGOUHBHPPRS-XQRVVYSFSA-N 0 0 368.311 2.720 20 10 FFCDRN COCCCN1CC[C@@]2(CCC[N@H+](Cc3cccc(F)c3[O-])CC2)C1=O ZINC001276086487 1013433614 /nfs/dbraw/zinc/43/36/14/1013433614.db2.gz RLEKXUWPWYULDL-FQEVSTJZSA-N 0 0 364.461 2.772 20 10 FFCDRN C[C@@H](NC(=O)N(Cc1ccco1)Cc1ccccc1O)c1nncn1C ZINC000124465459 1013455038 /nfs/dbraw/zinc/45/50/38/1013455038.db2.gz ZMXHQTKNNCQCER-CYBMUJFWSA-N 0 0 355.398 2.587 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)Nc1cnn(C(C)C)c1 ZINC000684303070 963943731 /nfs/dbraw/zinc/94/37/31/963943731.db2.gz AXZAKEYSWWZQKB-UHFFFAOYSA-N 0 0 353.426 2.519 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1[N+](=O)[O-] ZINC000160944002 963951434 /nfs/dbraw/zinc/95/14/34/963951434.db2.gz QKPXNCKDLBGLIV-UHFFFAOYSA-N 0 0 359.357 2.501 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CC[C@H]2C(=O)OC(C)(C)C)cc1F ZINC001125534553 964390035 /nfs/dbraw/zinc/39/00/35/964390035.db2.gz LMQMZBVGNNVYMT-ZIAGYGMSSA-N 0 0 350.434 2.876 20 10 FFCDRN COc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c1OC ZINC000891584752 964518468 /nfs/dbraw/zinc/51/84/68/964518468.db2.gz VCJJZXIMPUJHFW-UHFFFAOYSA-N 0 0 374.412 2.507 20 10 FFCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)C2=CCCN(C)C2)cc1 ZINC001175578329 1013515155 /nfs/dbraw/zinc/51/51/55/1013515155.db2.gz 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CC1CCN(c2ccc(CNC(=O)CNC(=O)c3ccccc3)cc2)CC1 ZINC000108453929 1005670831 /nfs/dbraw/zinc/67/08/31/1005670831.db2.gz LPJSRTSMQPEOFL-UHFFFAOYSA-N 0 0 365.477 2.969 20 10 FFCDRN Cc1cn(C)nc1NC(=O)C(=O)N(c1ccc(N)cc1)C1CCCCC1 ZINC000850423110 1005814630 /nfs/dbraw/zinc/81/46/30/1005814630.db2.gz NQUOICYQCFVSST-UHFFFAOYSA-N 0 0 355.442 2.615 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCC[C@H](C)O1 ZINC000850653793 1005829470 /nfs/dbraw/zinc/82/94/70/1005829470.db2.gz SWGZACPMQBGVEC-RDJZCZTQSA-N 0 0 362.470 2.595 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)OCCc3cn(C)nn3)c2C)cc1 ZINC000851369127 1005877846 /nfs/dbraw/zinc/87/78/46/1005877846.db2.gz KBKRAUKQMBHTEL-UHFFFAOYSA-N 0 0 354.410 2.631 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3cccc(N)c3)C2)cc1 ZINC000851668693 1005904884 /nfs/dbraw/zinc/90/48/84/1005904884.db2.gz XFQQLXRXGNVOPG-INIZCTEOSA-N 0 0 354.454 2.603 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCOc3ccc(F)cc3)C2)cc1 ZINC000851951816 1005926082 /nfs/dbraw/zinc/92/60/82/1005926082.db2.gz 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O=C(NCCCC1(O)CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000817789560 1007768905 /nfs/dbraw/zinc/76/89/05/1007768905.db2.gz PHYSLKBIATVWAE-KRWDZBQOSA-N 0 0 362.470 2.778 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)c1ccco1 ZINC000817859596 1007787935 /nfs/dbraw/zinc/78/79/35/1007787935.db2.gz JICASFITPBNRNA-HOTGVXAUSA-N 0 0 371.481 2.921 20 10 FFCDRN Cc1ncc(/C=C/C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000136213907 1007794497 /nfs/dbraw/zinc/79/44/97/1007794497.db2.gz SADGVWKTLULHDF-VOTSOKGWSA-N 0 0 371.506 2.990 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCO[C@H](CC)C1 ZINC000817878478 1007794911 /nfs/dbraw/zinc/79/49/11/1007794911.db2.gz WMJQLEPEMFMAQI-IAGOWNOFSA-N 0 0 362.470 2.595 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)NCC(=O)OC3CCCCC3)cs2)cc1 ZINC000817953020 1007822182 /nfs/dbraw/zinc/82/21/82/1007822182.db2.gz KKPQAXPRGGFNLP-UHFFFAOYSA-N 0 0 373.478 2.922 20 10 FFCDRN COC(=O)[C@H](C)CN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C1CC1 ZINC000817997201 1007829912 /nfs/dbraw/zinc/82/99/12/1007829912.db2.gz WAAXIILQFONTGI-GFCCVEGCSA-N 0 0 373.478 2.730 20 10 FFCDRN O=C(NCCc1cc(O)c(O)cc1O)c1cccc(Oc2ccccc2)n1 ZINC001191147821 1007902412 /nfs/dbraw/zinc/90/24/12/1007902412.db2.gz ZWVAVYYDISVINT-UHFFFAOYSA-N 0 0 366.373 2.963 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@H](O)C2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000114470004 1007914819 /nfs/dbraw/zinc/91/48/19/1007914819.db2.gz JROYDZAICVVAFM-HNNXBMFYSA-N 0 0 364.392 2.945 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CCc2cnn(-c3ccccc3)c2)c1 ZINC000114541683 1007952477 /nfs/dbraw/zinc/95/24/77/1007952477.db2.gz XFFTUONICURQCQ-UHFFFAOYSA-N 0 0 351.406 2.836 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@@H](C)[C@@H](CO)C2)c(C)n1-c1ccc(F)cn1 ZINC000856796962 1007977733 /nfs/dbraw/zinc/97/77/33/1007977733.db2.gz ALMNZOOAWVZJAF-CZUORRHYSA-N 0 0 359.445 2.761 20 10 FFCDRN O=C1CN(Cc2ccccc2O)C(=O)N1c1ncc(C2CCOCC2)s1 ZINC000819008528 1008008507 /nfs/dbraw/zinc/00/85/07/1008008507.db2.gz TWGKHIYRURBELM-UHFFFAOYSA-N 0 0 373.434 2.712 20 10 FFCDRN CCOCc1ccccc1CN1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819164006 1008053618 /nfs/dbraw/zinc/05/36/18/1008053618.db2.gz DMSBZLBEYIVBJL-UHFFFAOYSA-N 0 0 354.406 2.893 20 10 FFCDRN CC(=O)Nc1cccc([C@@H](C)N2C(=O)CN(Cc3ccccc3O)C2=O)c1 ZINC000819166585 1008054081 /nfs/dbraw/zinc/05/40/81/1008054081.db2.gz YMPNLRPKPUELSJ-CYBMUJFWSA-N 0 0 367.405 2.876 20 10 FFCDRN C[C@H](CCCc1cccnc1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000819169598 1008056805 /nfs/dbraw/zinc/05/68/05/1008056805.db2.gz NEMMXKMIVFXJCZ-OAHLLOKOSA-N 0 0 353.422 2.963 20 10 FFCDRN Cc1cccc([C@H](CC(=O)NCc2ccc(N(C)C)cc2C)NC(N)=O)c1 ZINC000115280665 1008155009 /nfs/dbraw/zinc/15/50/09/1008155009.db2.gz TYPHOZWORTVKHU-IBGZPJMESA-N 0 0 368.481 2.785 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccc(-c2ccco2)[nH]c1=O ZINC000115281758 1008155453 /nfs/dbraw/zinc/15/54/53/1008155453.db2.gz SNYBGODHSBFZAM-UHFFFAOYSA-N 0 0 351.406 2.939 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)/C=C\c3cncc(F)c3)C2)cc1 ZINC000819581640 1008181188 /nfs/dbraw/zinc/18/11/88/1008181188.db2.gz BNWXIJFQESXHKP-AKDFZNLCSA-N 0 0 355.413 2.885 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)/C=C/c3cncc(F)c3)C2)cc1 ZINC000819581641 1008181724 /nfs/dbraw/zinc/18/17/24/1008181724.db2.gz BNWXIJFQESXHKP-BGGTUALNSA-N 0 0 355.413 2.885 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)CCCn3ccnc3C)C2)cc1 ZINC000819582890 1008183255 /nfs/dbraw/zinc/18/32/55/1008183255.db2.gz RCSHNALUESFICX-QGZVFWFLSA-N 0 0 356.470 2.623 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cccc4nccn43)C2)cc1 ZINC000819586412 1008184022 /nfs/dbraw/zinc/18/40/22/1008184022.db2.gz PBHNUNKBSSPUPR-HNNXBMFYSA-N 0 0 350.422 2.599 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc4nsnc4c3)C2)cc1 ZINC000819586329 1008184234 /nfs/dbraw/zinc/18/42/34/1008184234.db2.gz NMXIFHNMTKKFFI-ZDUSSCGKSA-N 0 0 368.462 2.956 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)CCCOc3cccnc3)C2)cc1 ZINC000819584770 1008184411 /nfs/dbraw/zinc/18/44/11/1008184411.db2.gz QJAQFRBANFDAKA-QGZVFWFLSA-N 0 0 369.465 2.892 20 10 FFCDRN CCc1cc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)cc(=O)[nH]1 ZINC000819587088 1008184950 /nfs/dbraw/zinc/18/49/50/1008184950.db2.gz VUUCMZTXHWCWJT-AWEZNQCLSA-N 0 0 355.438 2.615 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cnc(C4CC4)nc3)C2)cc1 ZINC000819591817 1008187444 /nfs/dbraw/zinc/18/74/44/1008187444.db2.gz XAZMQVQQAIZKHE-CQSZACIVSA-N 0 0 352.438 2.619 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3c[nH]nc3C(C)(C)C)C2)cc1 ZINC000819592013 1008187738 /nfs/dbraw/zinc/18/77/38/1008187738.db2.gz ZPIIGOLONGTUGW-AWEZNQCLSA-N 0 0 356.470 2.972 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)COc1ccc(F)cc1 ZINC000819693732 1008207729 /nfs/dbraw/zinc/20/77/29/1008207729.db2.gz SJMVPTQQKSWUSU-UHFFFAOYSA-N 0 0 361.369 2.502 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cccc(C(C)=O)c1 ZINC000819697114 1008208039 /nfs/dbraw/zinc/20/80/39/1008208039.db2.gz POTJAJYXVVRMJU-UHFFFAOYSA-N 0 0 355.390 2.800 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)Cc1cccc(F)c1F ZINC000819696964 1008209300 /nfs/dbraw/zinc/20/93/00/1008209300.db2.gz JOJNLVARSBNQNZ-UHFFFAOYSA-N 0 0 363.360 2.805 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C=C/c1cccnc1C ZINC000819698390 1008209593 /nfs/dbraw/zinc/20/95/93/1008209593.db2.gz MAWPKGYOPUVQEE-ZHACJKMWSA-N 0 0 354.406 2.701 20 10 FFCDRN CCNC(=O)c1cccc(CNC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115664390 1008222683 /nfs/dbraw/zinc/22/26/83/1008222683.db2.gz KPZUMHNNRVHKIE-UHFFFAOYSA-N 0 0 368.481 2.810 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCc4cccnc43)CC2)cc1F ZINC000819892742 1008243784 /nfs/dbraw/zinc/24/37/84/1008243784.db2.gz JUSXPZFUYXXJDE-MRXNPFEDSA-N 0 0 355.413 2.608 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cn4c(n3)CC[C@@H](C)C4)C2)cc1 ZINC000857958902 1008261923 /nfs/dbraw/zinc/26/19/23/1008261923.db2.gz NHORFQXYNRNKKV-CVEARBPZSA-N 0 0 368.481 2.730 20 10 FFCDRN Cc1cc(CC(=O)N2CCC[C@H]2C(=O)N(C)C)c(C)n1-c1ccccc1 ZINC000820094964 1008285074 /nfs/dbraw/zinc/28/50/74/1008285074.db2.gz VCUFURAKBBWARH-IBGZPJMESA-N 0 0 353.466 2.716 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858084537 1008298903 /nfs/dbraw/zinc/29/89/03/1008298903.db2.gz JJCCROYVPZANJA-ZDUSSCGKSA-N 0 0 358.369 2.803 20 10 FFCDRN CCOc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115895020 1008310101 /nfs/dbraw/zinc/31/01/01/1008310101.db2.gz YFZUVNGZCRBWAI-UHFFFAOYSA-N 0 0 355.438 2.715 20 10 FFCDRN Cc1cc(CNC(=O)N[C@H]2CCCCNC2=O)c(C)n1-c1ccccc1 ZINC000858163406 1008315132 /nfs/dbraw/zinc/31/51/32/1008315132.db2.gz FXRGQFFXFAEJRC-SFHVURJKSA-N 0 0 354.454 2.562 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CC(=O)NC(C)C)c1 ZINC000858167823 1008315695 /nfs/dbraw/zinc/31/56/95/1008315695.db2.gz JHULXYAKVDQWCH-UHFFFAOYSA-N 0 0 355.438 2.503 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nn(C)c2ccccc21 ZINC000858201907 1008323468 /nfs/dbraw/zinc/32/34/68/1008323468.db2.gz ZUQYWFRQCDFCNT-UHFFFAOYSA-N 0 0 364.449 2.682 20 10 FFCDRN CN(C)c1ccc(/C=C/CNC(c2nccn2C)c2nccn2C)cc1 ZINC000858224096 1008328612 /nfs/dbraw/zinc/32/86/12/1008328612.db2.gz VURNMJCHCLUYKA-AATRIKPKSA-N 0 0 350.470 2.612 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@H](C)Cn2cccn2)cc1 ZINC000858446364 1008362235 /nfs/dbraw/zinc/36/22/35/1008362235.db2.gz IIWXXYGFMDZXJK-OAHLLOKOSA-N 0 0 364.449 2.851 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)Cn1ccnc1 ZINC000858513662 1008372228 /nfs/dbraw/zinc/37/22/28/1008372228.db2.gz MYJDALMKICXFDX-CQSZACIVSA-N 0 0 350.422 2.922 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3[C@@H](C)[C@H](C)O[C@H]3C)C2)cc1 ZINC000858552062 1008381321 /nfs/dbraw/zinc/38/13/21/1008381321.db2.gz OVFCAMSJABMHLF-ZAHIEGGZSA-N 0 0 361.486 2.633 20 10 FFCDRN CO[C@@H](CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@H]1CCOC1 ZINC000858601920 1008389636 /nfs/dbraw/zinc/38/96/36/1008389636.db2.gz ZKJPOMDSHJHFGL-PXNSSMCTSA-N 0 0 371.481 2.945 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2cnn(C)c2)ccc1C ZINC000858726132 1008409697 /nfs/dbraw/zinc/40/96/97/1008409697.db2.gz XFEAELPFTATLRK-UHFFFAOYSA-N 0 0 350.422 2.879 20 10 FFCDRN COC[C@@H](NC(=O)NCc1cccc(OC)c1O)c1cccc(OC)c1 ZINC000821221957 1008431577 /nfs/dbraw/zinc/43/15/77/1008431577.db2.gz LPZRLJMJIQSZOJ-MRXNPFEDSA-N 0 0 360.410 2.596 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CNC(=O)c2ccccc21 ZINC000858837997 1008434204 /nfs/dbraw/zinc/43/42/04/1008434204.db2.gz XJWWJJIFVZEHIF-FQEVSTJZSA-N 0 0 363.461 2.820 20 10 FFCDRN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000858850619 1008437710 /nfs/dbraw/zinc/43/77/10/1008437710.db2.gz DTGMWPDSAHIINB-HIFRSBDPSA-N 0 0 369.465 2.940 20 10 FFCDRN C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2O)CN1C(=O)OC(C)(C)C ZINC000858869418 1008442819 /nfs/dbraw/zinc/44/28/19/1008442819.db2.gz XFYSHAOCVCOESD-DZGCQCFKSA-N 0 0 363.458 2.979 20 10 FFCDRN CC[C@](C)(NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C(=O)OC ZINC000858970430 1008457658 /nfs/dbraw/zinc/45/76/58/1008457658.db2.gz MSUUFPMFCXJVQV-FQEVSTJZSA-N 0 0 356.422 2.978 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCCc2nc(C)no2)c1 ZINC000859135388 1008480089 /nfs/dbraw/zinc/48/00/89/1008480089.db2.gz LNMMKVKIWOEXSM-UHFFFAOYSA-N 0 0 366.421 2.961 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)Nc3ccn(CC(F)F)n3)C2)cc1 ZINC000821727621 1008486055 /nfs/dbraw/zinc/48/60/55/1008486055.db2.gz GURBESLBRJHEAF-GFCCVEGCSA-N 0 0 365.384 2.557 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCc1nncn1C1CC1 ZINC000859246928 1008492620 /nfs/dbraw/zinc/49/26/20/1008492620.db2.gz XJJURFMKBANVAH-UHFFFAOYSA-N 0 0 363.421 2.763 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000116731746 1008512556 /nfs/dbraw/zinc/51/25/56/1008512556.db2.gz YECIIPONJKPCBC-UHFFFAOYSA-N 0 0 363.417 2.991 20 10 FFCDRN CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000137440563 1008604700 /nfs/dbraw/zinc/60/47/00/1008604700.db2.gz BKXRJFJIWXYZHX-QGZVFWFLSA-N 0 0 360.502 2.563 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000859805789 1008673985 /nfs/dbraw/zinc/67/39/85/1008673985.db2.gz AUTADJABZVKFJG-MRXNPFEDSA-N 0 0 367.449 2.634 20 10 FFCDRN Cc1cc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)ncc1C(N)=O ZINC000822651970 1008714537 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2.543 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Cc3ccc(O)c(F)c3)CC2)cc1 ZINC000822999730 1008861288 /nfs/dbraw/zinc/86/12/88/1008861288.db2.gz ORELPFSJETXCDZ-UHFFFAOYSA-N 0 0 358.413 2.868 20 10 FFCDRN O=C(/C=C\[C@H]1CCOC1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000823004364 1008866295 /nfs/dbraw/zinc/86/62/95/1008866295.db2.gz PLZZSLQZBHDDNJ-HFDGLISDSA-N 0 0 366.408 2.966 20 10 FFCDRN Nc1c(C(=O)NCCCSc2nccs2)cnn1Cc1ccccc1 ZINC001136662048 1008872913 /nfs/dbraw/zinc/87/29/13/1008872913.db2.gz YXSLQMJYXBSHJZ-UHFFFAOYSA-N 0 0 373.507 2.882 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001136661311 1008895420 /nfs/dbraw/zinc/89/54/20/1008895420.db2.gz ALYSNRWVYXCUIY-GFCCVEGCSA-N 0 0 365.455 2.692 20 10 FFCDRN CC(C)c1nocc1C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000860226026 1008900169 /nfs/dbraw/zinc/90/01/69/1008900169.db2.gz ZHVMWJVUPFCQKB-UHFFFAOYSA-N 0 0 359.426 2.679 20 10 FFCDRN CN(C(=O)OC(C)(C)C)C1(C(=O)NCCc2ccc(O)c(O)c2)CCC1 ZINC000860235153 1008904726 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COc1ccccc1C(=O)NC1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001137841404 1033187466 /nfs/dbraw/zinc/18/74/66/1033187466.db2.gz DFDWWBJWKSGQOW-UHFFFAOYSA-N 0 0 358.413 2.934 20 10 FFCDRN CC(C)(C)OC(=O)N1CCO[C@]2(CC[N@H+](Cc3c([O-])cccc3F)C2)C1 ZINC001137841760 1033187496 /nfs/dbraw/zinc/18/74/96/1033187496.db2.gz TUYPYGZEIUFMHV-IBGZPJMESA-N 0 0 366.433 2.743 20 10 FFCDRN Cc1ccc(NC(=O)NC(=O)[C@H](C)OC(=O)c2cccc(O)c2O)c(C)c1 ZINC000758561008 1024176748 /nfs/dbraw/zinc/17/67/48/1024176748.db2.gz ZNOMMAMKSOHFDT-LBPRGKRZSA-N 0 0 372.377 2.608 20 10 FFCDRN Cc1cc(=O)oc2cc(OCCOC(=O)c3cccc(O)c3O)ccc12 ZINC000758561637 1024177186 /nfs/dbraw/zinc/17/71/86/1024177186.db2.gz PUVZYSWYCPOVGI-UHFFFAOYSA-N 0 0 356.330 2.748 20 10 FFCDRN O=C(COC(=O)c1cccc(O)c1O)NCC1(c2ccccc2)CCCC1 ZINC000758579285 1024185259 /nfs/dbraw/zinc/18/52/59/1024185259.db2.gz FTVSMBYBGMWPDP-UHFFFAOYSA-N 0 0 369.417 2.883 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cccnc2N2CCOCC2)cc1 ZINC000079390961 1024256336 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C[C@@H](CNC(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1)c1ccccc1 ZINC000759594309 1024678059 /nfs/dbraw/zinc/67/80/59/1024678059.db2.gz QHWOFIGTHAQWOB-ACVZPDSXSA-N 0 0 369.417 2.963 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)O[C@H]1CCCN(c2ccccc2)C1=O ZINC000759597253 1024679584 /nfs/dbraw/zinc/67/95/84/1024679584.db2.gz QBWLJGRJQTUJLM-FYGXRCCRSA-N 0 0 353.374 2.850 20 10 FFCDRN COc1ccccc1NC(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759598311 1024679950 /nfs/dbraw/zinc/67/99/50/1024679950.db2.gz VZFLTTYDNUJTRW-CUZBXDDWSA-N 0 0 357.362 2.690 20 10 FFCDRN CC[C@H](C)NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000194031907 1024734236 /nfs/dbraw/zinc/73/42/36/1024734236.db2.gz OFFAJRJWLDXLJS-JTQLQIEISA-N 0 0 352.346 2.899 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccc(CO)c(F)c1 ZINC000194926508 1024926475 /nfs/dbraw/zinc/92/64/75/1024926475.db2.gz ICQJWUGUHYFODB-UHFFFAOYSA-N 0 0 357.429 2.918 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@]23CCOC3)c(C)n1-c1ccc(F)cc1 ZINC000195189999 1024956361 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362.470 2.548 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2C[C@H]3CCC(=O)c4cccc2c43)cc1 ZINC000839558815 1026732862 /nfs/dbraw/zinc/73/28/62/1026732862.db2.gz FGJMFUNCGYPWJT-MRXNPFEDSA-N 0 0 363.461 2.949 20 10 FFCDRN Cc1cnn(C)c1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000839628389 1026764671 /nfs/dbraw/zinc/76/46/71/1026764671.db2.gz PZTLWBNIVBHVGN-UHFFFAOYSA-N 0 0 364.396 2.729 20 10 FFCDRN COc1ccccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000839632663 1026767811 /nfs/dbraw/zinc/76/78/11/1026767811.db2.gz AYPLGQPCGBTHFF-OAHLLOKOSA-N 0 0 369.465 2.756 20 10 FFCDRN COc1ccc(N2CCN(CN3C(=O)[C@@H](C4CC4)[C@H]3C3CC3)CC2)cc1F ZINC000840022888 1026915542 /nfs/dbraw/zinc/91/55/42/1026915542.db2.gz JLMZQGWVIFZCOV-VQTJNVASSA-N 0 0 373.472 2.561 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840248767 1027019552 /nfs/dbraw/zinc/01/95/52/1027019552.db2.gz SEKBYZKENOJWKV-OAHLLOKOSA-N 0 0 356.470 2.895 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCCc2c(cnn2C)C1 ZINC000840481063 1027088885 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COCCN(C)c1ccc(/C=C2/c3cc([N+](=O)[O-])ccc3N(C)C2=O)cn1 ZINC000840720840 1027230151 /nfs/dbraw/zinc/23/01/51/1027230151.db2.gz AHNQNSAZHCDVTK-YBEGLDIGSA-N 0 0 368.393 2.589 20 10 FFCDRN O=C(CNc1nc(Cl)nc(-c2ccccc2)n1)c1ccc(O)c(O)c1 ZINC001159277203 1027332327 /nfs/dbraw/zinc/33/23/27/1027332327.db2.gz QHVWRBUZPWMGOW-UHFFFAOYSA-N 0 0 356.769 2.898 20 10 FFCDRN COC(=O)c1cc(Cl)c(NCC(=O)c2ccc(O)c(O)c2)nc1C ZINC001159280599 1027334908 /nfs/dbraw/zinc/33/49/08/1027334908.db2.gz ZOLWRAPMKOGTPZ-UHFFFAOYSA-N 0 0 350.758 2.536 20 10 FFCDRN O=C(CNc1ccc(-c2ccccc2[N+](=O)[O-])nn1)c1ccc(O)c(O)c1 ZINC001159280549 1027336303 /nfs/dbraw/zinc/33/63/03/1027336303.db2.gz XFQSNURMLQAZNA-UHFFFAOYSA-N 0 0 366.333 2.758 20 10 FFCDRN COC(=O)[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccc(OC)cc1 ZINC001159344867 1027361117 /nfs/dbraw/zinc/36/11/17/1027361117.db2.gz HBTBWRXHQGTKII-HNNXBMFYSA-N 0 0 370.365 2.502 20 10 FFCDRN NC(=O)c1cc(NCc2cc(Br)ccc2O)nc(C2CC2)n1 ZINC001160018970 1027565057 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COC(=O)c1ccc2[nH]c(C(=O)N3CCc4cccc(O)c4C3)cc2c1 ZINC001156510213 1029225271 /nfs/dbraw/zinc/22/52/71/1029225271.db2.gz AQEVKUYBUOMJGW-UHFFFAOYSA-N 0 0 350.374 2.859 20 10 FFCDRN CC(C)[C@H]1CN(C(=O)c2cccc(O)c2O)CCN1C(=O)OC(C)(C)C ZINC000781813345 1029421134 /nfs/dbraw/zinc/42/11/34/1029421134.db2.gz KGKLLZRYNOVUHU-CQSZACIVSA-N 0 0 364.442 2.815 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](Oc1ccccc1)C(C)(C)O ZINC001157101879 1029465909 /nfs/dbraw/zinc/46/59/09/1029465909.db2.gz FQQPEAJUSJOSHF-SFHVURJKSA-N 0 0 364.438 2.713 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C(C)(C)C)n2ncnc2n1 ZINC001157102729 1029467127 /nfs/dbraw/zinc/46/71/27/1029467127.db2.gz QBWKBZIVUFSQQD-UHFFFAOYSA-N 0 0 374.441 2.543 20 10 FFCDRN CCNC(=O)NC(=O)[C@H](C)N(C)c1ccc(OCc2ccccc2)cc1 ZINC000781963124 1029497067 /nfs/dbraw/zinc/49/70/67/1029497067.db2.gz HRKFZXIQLRQUCQ-HNNXBMFYSA-N 0 0 355.438 2.936 20 10 FFCDRN Cc1cc(C)c(CNC(=O)c2ccc3[nH]c4c(c3c2)CCNC4=O)c(O)c1 ZINC001157284888 1029537559 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FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(c2)CCN3)cc1 ZINC000841015379 1029978707 /nfs/dbraw/zinc/97/87/07/1029978707.db2.gz FGYBAYSQINSANQ-UHFFFAOYSA-N 0 0 366.465 2.756 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)NCCCO[C@H]2CCCc3ccccc32)cc1 ZINC000841035269 1029993641 /nfs/dbraw/zinc/99/36/41/1029993641.db2.gz HBTYWSLTUQLCEH-IBGZPJMESA-N 0 0 367.449 2.808 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CCC(c3cccc(F)c3F)CC2)cc1 ZINC000841089456 1030028288 /nfs/dbraw/zinc/02/82/88/1030028288.db2.gz JYURFCVWXKBBFH-UHFFFAOYSA-N 0 0 359.376 2.892 20 10 FFCDRN C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CCN2)c1ccc(N(C)C)cc1 ZINC000841092661 1030030597 /nfs/dbraw/zinc/03/05/97/1030030597.db2.gz LPILVJJNTGEZJY-CYBMUJFWSA-N 0 0 352.438 2.537 20 10 FFCDRN COC(=O)N(C)Cc1ccc(NC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841118049 1030051304 /nfs/dbraw/zinc/05/13/04/1030051304.db2.gz DODPVEHPBKXMIX-UHFFFAOYSA-N 0 0 356.426 2.831 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N2CC3(CCC3)c3c2cccc3F)cc1 ZINC000841176653 1030093159 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FFCDRN COc1ccc2onc(CC(=O)N[C@H](C)c3cc(OC)ccc3O)c2c1 ZINC000841406973 1030268627 /nfs/dbraw/zinc/26/86/27/1030268627.db2.gz UPVKHEPIJDKHDC-LLVKDONJSA-N 0 0 356.378 2.971 20 10 FFCDRN Cc1cc(C(=O)NCC(C)(C)C2(O)CCOCC2)c(C)n1-c1ccccn1 ZINC000841458245 1030301485 /nfs/dbraw/zinc/30/14/85/1030301485.db2.gz GTZFIBFPVVUXRS-UHFFFAOYSA-N 0 0 371.481 2.787 20 10 FFCDRN CO[C@@H](CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000841583731 1030349675 /nfs/dbraw/zinc/34/96/75/1030349675.db2.gz VZTJOSYXPLJTPY-MRXNPFEDSA-N 0 0 367.465 2.523 20 10 FFCDRN C[C@@H]1[C@H](C)CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@H]1C ZINC000841587406 1030350696 /nfs/dbraw/zinc/35/06/96/1030350696.db2.gz PWQXLBLQCQPOKN-MCIONIFRSA-N 0 0 367.440 2.987 20 10 FFCDRN NC(=O)NCc1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001142378634 1030374782 /nfs/dbraw/zinc/37/47/82/1030374782.db2.gz ANGBGDADDCPMEA-UHFFFAOYSA-N 0 0 357.391 2.733 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cnc(N(C)C)nc1 ZINC000841674457 1030394859 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C[C@@H](NC(=O)Nc1cccc2c1CCNC2=O)c1ccc(N(C)C)cc1 ZINC000841781835 1030463776 /nfs/dbraw/zinc/46/37/76/1030463776.db2.gz INEMQGRBMQOPTC-CYBMUJFWSA-N 0 0 352.438 2.921 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cc(C(N)=O)cc(C)n2)C1 ZINC001166816308 1030531598 /nfs/dbraw/zinc/53/15/98/1030531598.db2.gz AJDQQQMQPZQBTG-UHFFFAOYSA-N 0 0 350.422 2.552 20 10 FFCDRN CCCCCNC(=O)C1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841963125 1030561835 /nfs/dbraw/zinc/56/18/35/1030561835.db2.gz WVOSSFFXDLGXQK-UHFFFAOYSA-N 0 0 360.502 2.539 20 10 FFCDRN CNC(=O)CCN(C)C(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000784381306 1030595786 /nfs/dbraw/zinc/59/57/86/1030595786.db2.gz YPWDCXQVODJGNH-UHFFFAOYSA-N 0 0 367.409 2.635 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N[C@@H]2CCCC[C@H]2c2ccccc2)cc1 ZINC000842084219 1030598323 /nfs/dbraw/zinc/59/83/23/1030598323.db2.gz BTURRDBIYXYORA-VQTJNVASSA-N 0 0 365.477 2.770 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@H](c2ccccn2)C1=O ZINC000842265995 1030665833 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CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cnc(C(C)C)nc2)cc1 ZINC000796698971 1030885617 /nfs/dbraw/zinc/88/56/17/1030885617.db2.gz DRIMTOBSOICXEP-UHFFFAOYSA-N 0 0 369.469 2.701 20 10 FFCDRN COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c(C)cc1C ZINC000796768494 1030910834 /nfs/dbraw/zinc/91/08/34/1030910834.db2.gz LCWXBHAKUAQQMK-UHFFFAOYSA-N 0 0 373.428 2.772 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCCN(C(=O)N2CCCC2)C1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000797038655 1030984142 /nfs/dbraw/zinc/98/41/42/1030984142.db2.gz FYFAPMCUQYOGTB-KBPBESRZSA-N 0 0 362.430 2.631 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)Cc3ncccc3OC)C2)cc1 ZINC000842872996 1031006707 /nfs/dbraw/zinc/00/67/07/1031006707.db2.gz FREXQMBOXUYCAX-HNNXBMFYSA-N 0 0 356.422 2.711 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3ccc4nnn(C)c4c3)C2)cc1 ZINC000842874286 1031008088 /nfs/dbraw/zinc/00/80/88/1031008088.db2.gz BKHCPMLYLPXAAI-CQSZACIVSA-N 0 0 366.421 2.660 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3CCCc4nn(C)cc43)C2)cc1 ZINC000842876542 1031009687 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ZINC000798111223 1031311117 /nfs/dbraw/zinc/31/11/17/1031311117.db2.gz VELASKIOOPNTRA-HNNXBMFYSA-N 0 0 353.466 2.643 20 10 FFCDRN COc1ccc(N2CCN(Cc3ccc4c(c3)CCO4)CC2)c(OC)c1 ZINC001204495264 1031319419 /nfs/dbraw/zinc/31/94/19/1031319419.db2.gz ZFQHBVFWKSYLCZ-UHFFFAOYSA-N 0 0 354.450 2.961 20 10 FFCDRN Cc1cc(C(=O)COC(=O)c2cnnn2C)c(C)n1-c1cccc(C)c1 ZINC000798798104 1031547726 /nfs/dbraw/zinc/54/77/26/1031547726.db2.gz JIOUFSJXOCLRHA-UHFFFAOYSA-N 0 0 352.394 2.571 20 10 FFCDRN COc1cccc(O)c1CNc1ccc(O[C@H]2CCN(C)C2=O)cc1C ZINC000798958972 1031595909 /nfs/dbraw/zinc/59/59/09/1031595909.db2.gz QSZVRFUMWZKUCZ-IBGZPJMESA-N 0 0 356.422 2.931 20 10 FFCDRN Cc1cc(CCNC(=O)[C@@H](CC(C)C)C(N)=O)c(C)n1-c1ccccc1 ZINC001150449410 1031716036 /nfs/dbraw/zinc/71/60/36/1031716036.db2.gz GIHGMUWZZKFXJG-IBGZPJMESA-N 0 0 355.482 2.900 20 10 FFCDRN Cc1cc(C(=O)CN2CCOC[C@@]23CCOC3)c(C)n1-c1ccccc1 ZINC000799347724 1031744102 /nfs/dbraw/zinc/74/41/02/1031744102.db2.gz KPNAAFRKVVJDAR-NRFANRHFSA-N 0 0 354.450 2.768 20 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COc1cccc(CNC(=O)[C@H](C(C)C)N2Cc3ccccc3C2=O)c1O ZINC000830540012 1033663122 /nfs/dbraw/zinc/66/31/22/1033663122.db2.gz CPFVJHLQYRGJAV-SFHVURJKSA-N 0 0 368.433 2.698 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H]2[C@H]1CCCN2C(=O)c1cccc(O)c1O ZINC000830572236 1033688227 /nfs/dbraw/zinc/68/82/27/1033688227.db2.gz XVOCOTVSEFTDTE-ZIAGYGMSSA-N 0 0 362.426 2.712 20 10 FFCDRN CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1ccc(F)c(F)c1[O-] ZINC001276945856 1033715935 /nfs/dbraw/zinc/71/59/35/1033715935.db2.gz UVLBPWACOJZCBF-LJQANCHMSA-N 0 0 368.424 2.664 20 10 FFCDRN Cc1cc(CC(=O)N2CCC[C@H](OCCO)C2)c(C)n1-c1ccccc1 ZINC000830643426 1033719812 /nfs/dbraw/zinc/71/98/12/1033719812.db2.gz YQQKTIIKRIBYSW-FQEVSTJZSA-N 0 0 356.466 2.637 20 10 FFCDRN CCn1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)n1 ZINC000830749848 1033778681 /nfs/dbraw/zinc/77/86/81/1033778681.db2.gz RHNPYIUNGNTSAW-UHFFFAOYSA-N 0 0 370.384 2.884 20 10 FFCDRN O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001138126668 1033807797 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FFCDRN CCOC(=O)[C@H](Cc1ccccn1)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835049010 1035492530 /nfs/dbraw/zinc/49/25/30/1035492530.db2.gz OORXDHXXOBXMNR-AQWUKCDYSA-N 0 0 353.466 2.925 20 10 FFCDRN C[C@H](O)[C@H](NC/C=C/c1ccc(N(C)C)cc1)C(=O)OCc1ccccc1 ZINC000835056929 1035494593 /nfs/dbraw/zinc/49/45/93/1035494593.db2.gz WWVORZAJVUWZSS-DWRXGZBISA-N 0 0 368.477 2.848 20 10 FFCDRN COc1cc(N2CCN(Cc3cc(Cl)c(OC)cc3O)CC2)ccn1 ZINC001232271660 1035540888 /nfs/dbraw/zinc/54/08/88/1035540888.db2.gz ZFGFFIPMAIOXON-UHFFFAOYSA-N 0 0 363.845 2.780 20 10 FFCDRN CCSCc1ccc(NC(=O)C(=O)NCc2cccc(OC)c2O)cc1 ZINC000835142510 1035566991 /nfs/dbraw/zinc/56/69/91/1035566991.db2.gz KGIJRXPXULEOQN-UHFFFAOYSA-N 0 0 374.462 2.909 20 10 FFCDRN COC(=O)c1c(CN2CCO[C@@H](c3ccncc3)C2)c2ccccc2n1C ZINC001232405623 1035653674 /nfs/dbraw/zinc/65/36/74/1035653674.db2.gz NYGRNVYQCWEKGB-LJQANCHMSA-N 0 0 365.433 2.933 20 10 FFCDRN [O-]c1cc(F)cc(F)c1C[N@H+]1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001140580551 1035658505 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FFCDRN COc1ccc([C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)C(=O)[O-])cc1F ZINC000756367745 1043598216 /nfs/dbraw/zinc/59/82/16/1043598216.db2.gz WCUXQTDQHPXAFS-LJQANCHMSA-N 0 0 374.412 2.586 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(Cn2cncn2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756379920 1043598954 /nfs/dbraw/zinc/59/89/54/1043598954.db2.gz DIRWKXAMUAJWAU-ZDUSSCGKSA-N 0 0 353.382 2.791 20 10 FFCDRN COc1ccc(N2CC3(C2)CCN(C(=O)CCc2ccc[nH]2)C3)cc1F ZINC001279761715 1043601474 /nfs/dbraw/zinc/60/14/74/1043601474.db2.gz GAGIPLXZQDPNDU-UHFFFAOYSA-N 0 0 357.429 2.834 20 10 FFCDRN COc1ccc(N2C[C@@H]3COC[C@H](C2)N3Cc2scnc2C)c(C)c1 ZINC001279769375 1043612301 /nfs/dbraw/zinc/61/23/01/1043612301.db2.gz VDYCSTUEVHAPKA-IYBDPMFKSA-N 0 0 359.495 2.858 20 10 FFCDRN COc1ccc(N2C[C@H]3CN(Cc4scnc4C)C[C@@H](C2)O3)c(C)c1 ZINC001279768848 1043612705 /nfs/dbraw/zinc/61/27/05/1043612705.db2.gz OWURWXCYFZEWJU-CALCHBBNSA-N 0 0 359.495 2.858 20 10 FFCDRN Cc1cc(NC(=O)NCc2ccc(N3CC=CC3)cc2)cc(C(N)=O)c1 ZINC001310763601 1043734887 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CN(Cc1ccccc1O)C(=O)C(=O)N(Cc1ccccc1F)C1CC1 ZINC001325072948 1046363255 /nfs/dbraw/zinc/36/32/55/1046363255.db2.gz XBQSXAOPQXYVAK-UHFFFAOYSA-N 0 0 356.397 2.681 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(CC(C)C)c[nH]1 ZINC001325275844 1046448368 /nfs/dbraw/zinc/44/83/68/1046448368.db2.gz VYLXNSHRFQGZAY-INIZCTEOSA-N 0 0 374.437 2.529 20 10 FFCDRN O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1c2nonc2ccc1Cl ZINC001325344211 1046477128 /nfs/dbraw/zinc/47/71/28/1046477128.db2.gz AHXGSIHGADIIJP-UHFFFAOYSA-N 0 0 355.741 2.706 20 10 FFCDRN COc1ccc([C@@H]2CCCN2C(=O)C(=O)N(C)Cc2ccccc2O)cc1 ZINC001325548559 1046549070 /nfs/dbraw/zinc/54/90/70/1046549070.db2.gz WEELKNGKBZFIFL-SFHVURJKSA-N 0 0 368.433 2.723 20 10 FFCDRN CN1Cc2c(cccc2NCc2ccc(N3CCN(C)CC3)c(F)c2)C1=O ZINC001325580936 1046564186 /nfs/dbraw/zinc/56/41/86/1046564186.db2.gz GVHRNYJCXMVHNH-UHFFFAOYSA-N 0 0 368.456 2.775 20 10 FFCDRN C[C@@H]1SCC[C@@H]1NC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001326159769 1046790618 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FFCDRN OC[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1c(F)cccc1F ZINC001200422772 1056657454 /nfs/dbraw/zinc/65/74/54/1056657454.db2.gz FEUMFEHMDNKODI-QGZVFWFLSA-N 0 0 366.383 2.764 20 10 FFCDRN COC[C@H](c1cccc(OC)c1)N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849362510 1056842751 /nfs/dbraw/zinc/84/27/51/1056842751.db2.gz WNBSPKHZWJCKQD-QGZVFWFLSA-N 0 0 370.405 2.553 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCN(c2ccc(F)cn2)CC1 ZINC001546269418 1058320536 /nfs/dbraw/zinc/32/05/36/1058320536.db2.gz UJEUVRMUUAVUEG-UHFFFAOYSA-N 0 0 373.409 2.809 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@@H](C(=O)OC)C1 ZINC001545508434 1071793680 /nfs/dbraw/zinc/79/36/80/1071793680.db2.gz BKTNCZYDGZXAFH-PHIMTYICSA-N 0 0 370.243 2.702 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccn(CC(C)C)n3)CC2)cc1 ZINC001446418660 1058518208 /nfs/dbraw/zinc/51/82/08/1058518208.db2.gz JORBXGQWZFCPAO-UHFFFAOYSA-N 0 0 356.470 2.900 20 10 FFCDRN Cc1ccnc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC001354078341 1058568642 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O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(O)cc1O ZINC001451773652 1059144930 /nfs/dbraw/zinc/14/49/30/1059144930.db2.gz YYXYQNYAGJNSGI-UHFFFAOYSA-N 0 0 366.757 2.745 20 10 FFCDRN O=C(/C=C/c1ccc2c(c1)NC(=O)CO2)NCc1cc(Cl)ccc1O ZINC001452936945 1059315613 /nfs/dbraw/zinc/31/56/13/1059315613.db2.gz TUEZJFDHHDWVCA-QHHAFSJGSA-N 0 0 358.781 2.706 20 10 FFCDRN COC(=O)c1c2c(sc1NC(=O)[C@H]1C[C@H]1C(=O)OC)CCCCC2 ZINC001515328560 1059558453 /nfs/dbraw/zinc/55/84/53/1059558453.db2.gz HJGQRJARABFGIM-WDEREUQCSA-N 0 0 351.424 2.551 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nc([C@@H]3CCCO3)n[nH]2)cc1 ZINC000848275338 1059565517 /nfs/dbraw/zinc/56/55/17/1059565517.db2.gz MNZWUVXAICGNSW-KRWDZBQOSA-N 0 0 365.437 2.994 20 10 FFCDRN CCCN(C(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000848291960 1059610963 /nfs/dbraw/zinc/61/09/63/1059610963.db2.gz KALZDPCVJXMQGS-KHPPLWFESA-N 0 0 373.497 2.547 20 10 FFCDRN C[C@H](NC(=O)c1cc(C2CCOCC2)nn1C)c1ccc(N(C)C)cc1 ZINC001354911121 1059634972 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Cc1onc(N)c1S(=O)(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC001475422857 1061083662 /nfs/dbraw/zinc/08/36/62/1061083662.db2.gz BXAKDRBVWFJGFY-UHFFFAOYSA-N 0 0 361.423 2.703 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2coc3c2C(=O)NCC(C)(C)C3)cc1F ZINC001527014188 1061359936 /nfs/dbraw/zinc/35/99/36/1061359936.db2.gz UTDOQLORCVAEPI-UHFFFAOYSA-N 0 0 373.428 2.727 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cccc(-c3cn(C)nn3)c2)c1O ZINC001476893013 1061502413 /nfs/dbraw/zinc/50/24/13/1061502413.db2.gz SGHVVAUYDZMAIL-UHFFFAOYSA-N 0 0 353.382 2.518 20 10 FFCDRN Cc1cc(OCCN2CCNC2=O)ccc1NCc1cc(F)ccc1O ZINC001462145383 1061517121 /nfs/dbraw/zinc/51/71/21/1061517121.db2.gz FDJFTOKTFJEHHY-UHFFFAOYSA-N 0 0 359.401 2.856 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)SCC(=O)N2 ZINC001477001004 1061539810 /nfs/dbraw/zinc/53/98/10/1061539810.db2.gz MADAIXQBMLYWQV-SNVBAGLBSA-N 0 0 373.434 2.895 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2cnc(N)s2)n1CC1CC1 ZINC001527810027 1061636075 /nfs/dbraw/zinc/63/60/75/1061636075.db2.gz 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ZINC001532906177 1063207079 /nfs/dbraw/zinc/20/70/79/1063207079.db2.gz QSVRKUKGYMEFTQ-ZDUSSCGKSA-N 0 0 358.438 2.549 20 10 FFCDRN Cc1cc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCCO2)no1 ZINC001525291256 1063238132 /nfs/dbraw/zinc/23/81/32/1063238132.db2.gz DPCSAWSFFRGTSN-OAHLLOKOSA-N 0 0 369.425 2.763 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@@](C)(O)C2)CCCC1 ZINC001466098023 1063325535 /nfs/dbraw/zinc/32/55/35/1063325535.db2.gz AHRJJCOSTIDENK-OAQYLSRUSA-N 0 0 356.466 2.902 20 10 FFCDRN Cc1cc(C(=O)N[C@H](CO)[C@@H]2CCOC2)c(C)n1-c1cc(C)cc(C)c1 ZINC001466515551 1063465774 /nfs/dbraw/zinc/46/57/74/1063465774.db2.gz GHNJOSZATRNTOA-YLJYHZDGSA-N 0 0 356.466 2.838 20 10 FFCDRN Cc1cc(CNC(=O)Nc2c(-c3ccccn3)nc3ccccn32)n(C)n1 ZINC001466894319 1063588038 /nfs/dbraw/zinc/58/80/38/1063588038.db2.gz RGMHAEMKDMQOCR-UHFFFAOYSA-N 0 0 361.409 2.760 20 10 FFCDRN CCc1noc(-c2ccc(CCNC(=O)Cc3ccc(O)c(O)c3)cc2)n1 ZINC001546257727 1063697087 /nfs/dbraw/zinc/69/70/87/1063697087.db2.gz JINRUVCKDOGIFA-UHFFFAOYSA-N 0 0 367.405 2.612 20 10 FFCDRN CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cccc2cccnc21 ZINC001467396147 1063733571 /nfs/dbraw/zinc/73/35/71/1063733571.db2.gz XSENWOWPKFLEAZ-UHFFFAOYSA-N 0 0 371.418 2.589 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CN(C)c1ccc(Cl)cn1 ZINC001467840647 1063865388 /nfs/dbraw/zinc/86/53/88/1063865388.db2.gz OTJRVXPLNVIWAJ-UHFFFAOYSA-N 0 0 354.834 2.679 20 10 FFCDRN O=C(Nc1cccc(C(=O)NCc2ccc(O)cc2O)c1)c1ccco1 ZINC001469159759 1064100495 /nfs/dbraw/zinc/10/04/95/1064100495.db2.gz NBTBOCYGHWYUHR-UHFFFAOYSA-N 0 0 352.346 2.873 20 10 FFCDRN Cc1cc(C(F)(F)F)nn1CC(=O)NCc1ccc2cccnc2c1O ZINC001469247721 1064116607 /nfs/dbraw/zinc/11/66/07/1064116607.db2.gz FHQBLMMQWJGGIV-UHFFFAOYSA-N 0 0 364.327 2.781 20 10 FFCDRN Cc1nn2c(nc(C)cc2C)c1C(=O)NCc1ccc2cccnc2c1O ZINC001469250049 1064117391 /nfs/dbraw/zinc/11/73/91/1064117391.db2.gz QUWRKONRSIESCK-UHFFFAOYSA-N 0 0 361.405 2.838 20 10 FFCDRN Cc1cc(C(=O)NCc2cc(=O)[nH]c(=O)[nH]2)c(C)n1-c1cccc(C)c1 ZINC001469437546 1064146888 /nfs/dbraw/zinc/14/68/88/1064146888.db2.gz HKTGKKYMSMGOPG-UHFFFAOYSA-N 0 0 352.394 2.534 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC001469475501 1064153561 /nfs/dbraw/zinc/15/35/61/1064153561.db2.gz CJDRUWLOGFLHLX-ZWKOTPCHSA-N 0 0 355.434 2.625 20 10 FFCDRN COC(=O)[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)Cc2ccccc21 ZINC001470860740 1064473602 /nfs/dbraw/zinc/47/36/02/1064473602.db2.gz HMXNTPKSIQLDII-INIZCTEOSA-N 0 0 366.377 2.762 20 10 FFCDRN Cc1cc(CC(=O)Nc2nn3cnnc3s2)c(C)n1-c1ccccc1 ZINC001471176308 1064589977 /nfs/dbraw/zinc/58/99/77/1064589977.db2.gz NVUUXONUKBGYAQ-UHFFFAOYSA-N 0 0 352.423 2.775 20 10 FFCDRN CC(C)n1ncc2cc(C=CC(=O)N[C@H](C)c3ccccc3O)c(=O)[nH]c21 ZINC001471196402 1064597935 /nfs/dbraw/zinc/59/79/35/1064597935.db2.gz ZTYZSISNJZPZFS-MMQHEFTJSA-N 0 0 366.421 2.902 20 10 FFCDRN COC[C@@H](NC(=O)c1cccc(O)c1O)c1cccc(Br)c1 ZINC001471305943 1064633749 /nfs/dbraw/zinc/63/37/49/1064633749.db2.gz AJFCNCAHMZDEAV-CYBMUJFWSA-N 0 0 366.211 2.978 20 10 FFCDRN O=C(CCCNC(=O)c1ccc(Cl)cc1)NCc1cc(O)ccc1O ZINC001471660540 1064749084 /nfs/dbraw/zinc/74/90/84/1064749084.db2.gz CBJQXZUJNABVFS-UHFFFAOYSA-N 0 0 362.813 2.578 20 10 FFCDRN O=C(Cc1cccc(OCC(F)(F)F)c1)NCc1cc(O)ccc1O ZINC001471660838 1064749456 /nfs/dbraw/zinc/74/94/56/1064749456.db2.gz BITXFENNLLYOKC-UHFFFAOYSA-N 0 0 355.312 2.898 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)[C@@H]2CCC[C@H]2O)CCCC1 ZINC001471915082 1064849980 /nfs/dbraw/zinc/84/99/80/1064849980.db2.gz BGBWINZMECMTQG-WOJBJXKFSA-N 0 0 356.466 2.901 20 10 FFCDRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)NCc1c(O)cccc1F ZINC001471975916 1064875928 /nfs/dbraw/zinc/87/59/28/1064875928.db2.gz MNQCZRGJPBJSDH-KRWDZBQOSA-N 0 0 358.413 2.675 20 10 FFCDRN COc1ccc(C(=O)CCC(=O)NCc2c(O)cccc2F)cc1OC ZINC001471974622 1064876504 /nfs/dbraw/zinc/87/65/04/1064876504.db2.gz IDOPMGOHWRLXLX-UHFFFAOYSA-N 0 0 361.369 2.828 20 10 FFCDRN CC(=O)N/C(=C/c1cccs1)C(=O)NCc1cccc(Cl)c1O ZINC001472316848 1065012746 /nfs/dbraw/zinc/01/27/46/1065012746.db2.gz JOFMEQJAJOVXGD-RIYZIHGNSA-N 0 0 350.827 2.901 20 10 FFCDRN O=C1COc2ccccc2CN1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001474266467 1065481903 /nfs/dbraw/zinc/48/19/03/1065481903.db2.gz QNQNRVCPTLKTOY-UHFFFAOYSA-N 0 0 364.804 2.696 20 10 FFCDRN CC1(C)CCC[C@@H](CS(=O)(=O)NCCCSc2nccs2)O1 ZINC001474938945 1065651340 /nfs/dbraw/zinc/65/13/40/1065651340.db2.gz BLOKOYIRCOJMQX-LBPRGKRZSA-N 0 0 364.558 2.892 20 10 FFCDRN C[C@]1(C2CC2)CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CCO1 ZINC001576502256 1078236790 /nfs/dbraw/zinc/23/67/90/1078236790.db2.gz MJGKBAMWMSFZDI-LJQANCHMSA-N 0 0 357.479 2.957 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CC[C@@H](n4cccn4)C3)cs2)cc1 ZINC001580447074 1078806840 /nfs/dbraw/zinc/80/68/40/1078806840.db2.gz PNXHWESUCIQIIJ-OAHLLOKOSA-N 0 0 353.451 2.600 20 10 FFCDRN CS(=O)(=O)Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001583609507 1079240553 /nfs/dbraw/zinc/24/05/53/1079240553.db2.gz FKZHKLXOTTXJOE-UHFFFAOYSA-N 0 0 360.395 2.646 20 10 FFCDRN Cc1cccc(NC(=O)NCc2c(O)cccc2F)c1S(C)(=O)=O ZINC001562946013 1074727438 /nfs/dbraw/zinc/72/74/38/1074727438.db2.gz SDMHJXIKAFBZME-UHFFFAOYSA-N 0 0 352.387 2.565 20 10 FFCDRN CC[S@@](=O)CCn1c(N(C)Cc2ccccc2O)nnc1C(C)(C)C ZINC001552457444 1075077114 /nfs/dbraw/zinc/07/71/14/1075077114.db2.gz TXVMMDDCTAPHBU-RUZDIDTESA-N 0 0 364.515 2.686 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCCOCC(F)F)CCCC1 ZINC001585100415 1079425138 /nfs/dbraw/zinc/42/51/38/1079425138.db2.gz DQBTUINOZCRQKK-UHFFFAOYSA-N 0 0 366.408 2.927 20 10 FFCDRN COC[C@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001555237177 1075652423 /nfs/dbraw/zinc/65/24/23/1075652423.db2.gz KUGCWLAHQGDTCF-WBVHZDCISA-N 0 0 374.485 2.797 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc(C=O)c2ccccc21 ZINC001556158295 1075710157 /nfs/dbraw/zinc/71/01/57/1075710157.db2.gz WQGGKZPRZUNUQV-CYBMUJFWSA-N 0 0 352.390 2.612 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1ccc(-n2cnc3ccccc32)nc1 ZINC001557084538 1075806482 /nfs/dbraw/zinc/80/64/82/1075806482.db2.gz DGRGYTHHFWPDTR-UHFFFAOYSA-N 0 0 360.373 2.762 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCCc1ccc(Br)cc1F ZINC001585705228 1079490125 /nfs/dbraw/zinc/49/01/25/1079490125.db2.gz PZKLQMDZPYYPOI-UHFFFAOYSA-N 0 0 368.202 2.901 20 10 FFCDRN Cc1ccnc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c1[N+](=O)[O-] ZINC001559281935 1076145581 /nfs/dbraw/zinc/14/55/81/1076145581.db2.gz SJQOCXRWHSBMTQ-UHFFFAOYSA-N 0 0 369.425 2.612 20 10 FFCDRN O=C(CSC1COC1)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC001559473176 1076164611 /nfs/dbraw/zinc/16/46/11/1076164611.db2.gz KSEQOYCTUUXYEO-UHFFFAOYSA-N 0 0 353.399 2.533 20 10 FFCDRN C(=C\c1ccccc1)\CN(CCn1cnnn1)c1ccc2c(c1)OCCO2 ZINC001559600512 1076176004 /nfs/dbraw/zinc/17/60/04/1076176004.db2.gz YHTPMHXYLWPRJS-DAXSKMNVSA-N 0 0 363.421 2.664 20 10 FFCDRN COCCN1CC[C@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001560340186 1076265379 /nfs/dbraw/zinc/26/53/79/1076265379.db2.gz RBJQROYWBNKGDO-LBPRGKRZSA-N 0 0 363.683 2.618 20 10 FFCDRN COC(=O)[C@@H](COC1CCC1)N(C)Cc1ccc(Br)cc1O ZINC001560638129 1076286969 /nfs/dbraw/zinc/28/69/69/1076286969.db2.gz ATUHQHYQYFXRGR-CQSZACIVSA-N 0 0 372.259 2.697 20 10 FFCDRN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cc(F)c(F)cc2[O-])cc1 ZINC001560734877 1076294933 /nfs/dbraw/zinc/29/49/33/1076294933.db2.gz SGVUZQKKXSNQRB-UHFFFAOYSA-N 0 0 368.405 2.500 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CCCO1 ZINC001560874413 1076305680 /nfs/dbraw/zinc/30/56/80/1076305680.db2.gz YARAEWBKLUAQRH-CYBMUJFWSA-N 0 0 372.412 2.786 20 10 FFCDRN COc1ccccc1-n1cc(S(=O)(=O)N[C@H](C)c2ccccc2O)cn1 ZINC001561838413 1076431562 /nfs/dbraw/zinc/43/15/62/1076431562.db2.gz YTFNDCTUFCHAHS-CYBMUJFWSA-N 0 0 373.434 2.626 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)OC)C2)cc1 ZINC001563693432 1076575772 /nfs/dbraw/zinc/57/57/72/1076575772.db2.gz PTLQGMRKFHCKKW-GUXCAODWSA-N 0 0 359.470 2.674 20 10 FFCDRN C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001564315639 1076624386 /nfs/dbraw/zinc/62/43/86/1076624386.db2.gz STAYPDJGPFMOHS-OXQOHEQNSA-N 0 0 356.514 2.911 20 10 FFCDRN Cc1cc(CNC(=O)N2CCN(C(C)C)C(=O)C2)c(C)n1-c1ccccc1 ZINC001565193643 1076695967 /nfs/dbraw/zinc/69/59/67/1076695967.db2.gz FJLGTUINSGZOGO-UHFFFAOYSA-N 0 0 368.481 2.856 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)c1 ZINC001565487248 1076735636 /nfs/dbraw/zinc/73/56/36/1076735636.db2.gz JXNWGAHFOXKTNR-SFYZADRCSA-N 0 0 374.319 2.924 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1N ZINC001566304721 1076943463 /nfs/dbraw/zinc/94/34/63/1076943463.db2.gz SILILRHIRLURBO-UHFFFAOYSA-N 0 0 353.737 2.947 20 10 FFCDRN O=C(COc1ccc([N+](=O)[O-])c2cccnc12)NCc1ccccc1O ZINC001566374162 1076952828 /nfs/dbraw/zinc/95/28/28/1076952828.db2.gz WVASHCWHXZSNCG-UHFFFAOYSA-N 0 0 353.334 2.544 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(-c3ccccn3)n2)c1 ZINC001566374510 1076953108 /nfs/dbraw/zinc/95/31/08/1076953108.db2.gz LRJPMWNVXDBXIT-LBPRGKRZSA-N 0 0 350.378 2.744 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCCc1ccccc1Br ZINC001568477619 1077095149 /nfs/dbraw/zinc/09/51/49/1077095149.db2.gz OSCGBXXPLCZNBU-UHFFFAOYSA-N 0 0 350.212 2.762 20 10 FFCDRN CON(C)C(=O)CNC(=O)c1cc(C)n(-c2ccc(C(C)C)cc2)c1C ZINC001570443387 1077206528 /nfs/dbraw/zinc/20/65/28/1077206528.db2.gz BOAVUGKWHMWYDN-UHFFFAOYSA-N 0 0 357.454 2.967 20 10 FFCDRN O=Cc1ccc(OCCC(=O)NCc2ccc3cccnc3c2O)cc1 ZINC001570531406 1077213621 /nfs/dbraw/zinc/21/36/21/1077213621.db2.gz FOPGOSHRQIBDKA-UHFFFAOYSA-N 0 0 350.374 2.838 20 10 FFCDRN COC(=O)c1ccc(/C=C\C(=O)NCc2ccc3cccnc3c2O)o1 ZINC001570533909 1077214263 /nfs/dbraw/zinc/21/42/63/1077214263.db2.gz WNXDGKMGJAKFKY-CLFYSBASSA-N 0 0 352.346 2.650 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1ccc(=O)n(CCO)c1 ZINC001570607455 1077217988 /nfs/dbraw/zinc/21/79/88/1077217988.db2.gz LNOKMSPVKRYWOD-UHFFFAOYSA-N 0 0 365.433 2.809 20 10 FFCDRN Cc1cc(C(=O)NOCCN2CCCC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC001586069295 1079540496 /nfs/dbraw/zinc/54/04/96/1079540496.db2.gz GIPMBIJKQKOWEM-UHFFFAOYSA-N 0 0 369.465 2.995 20 10 FFCDRN Cc1cc(CC(=O)N2CCC(=O)N(C)CC2)c(C)n1-c1ccc(Cl)cc1 ZINC001586318922 1079599442 /nfs/dbraw/zinc/59/94/42/1079599442.db2.gz VSGPGTGXYKIROM-UHFFFAOYSA-N 0 0 373.884 2.981 20 10 FFCDRN COC(=O)c1ccc(CC(=O)N(C)Cc2ccc(N3CCCC3)cc2)cn1 ZINC001587551934 1079812844 /nfs/dbraw/zinc/81/28/44/1079812844.db2.gz INLBQMIHEVDMMI-UHFFFAOYSA-N 0 0 367.449 2.670 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589965882 1080908816 /nfs/dbraw/zinc/90/88/16/1080908816.db2.gz RIEVAIVAWVYBTC-BPUTZDHNSA-N 0 0 365.437 2.796 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589974179 1080915473 /nfs/dbraw/zinc/91/54/73/1080915473.db2.gz QOCBFXBSDCSKSX-OGHNNQOOSA-N 0 0 366.425 2.538 20 10 FFCDRN C[C@H](Nc1ccc(OC2COC2)cc1)c1cccc(-c2nn[nH]n2)c1O ZINC001589980913 1080919930 /nfs/dbraw/zinc/91/99/30/1080919930.db2.gz IMXRVGIIONYSHS-NSHDSACASA-N 0 0 353.382 2.523 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CCc2nc(-c3ccccn3)no2)cc1 ZINC000032806440 506299105 /nfs/dbraw/zinc/29/91/05/506299105.db2.gz FRKMKOPUIAGWRQ-UHFFFAOYSA-N 0 0 365.437 2.789 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](C)c2cn(-c3ccccc3)nn2)c(O)c1 ZINC000369073200 512215766 /nfs/dbraw/zinc/21/57/66/512215766.db2.gz BPJRQZCXDKIGSD-CYBMUJFWSA-N 0 0 367.409 2.542 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000371226907 512277230 /nfs/dbraw/zinc/27/72/30/512277230.db2.gz SJMWDTSSFISYLX-HKUYNNGSSA-N 0 0 372.513 2.733 20 10 FFCDRN CN1C[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)c2ccccc2C1=O ZINC000377487805 512291480 /nfs/dbraw/zinc/29/14/80/512291480.db2.gz JUEQMFPPLHFXJZ-FQEVSTJZSA-N 0 0 363.461 2.772 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nn1cnc2ccccc21 ZINC000010262246 506734773 /nfs/dbraw/zinc/73/47/73/506734773.db2.gz CGYYWZSBOCEPCQ-UHFFFAOYSA-N 0 0 365.437 2.668 20 10 FFCDRN COc1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000010906427 506758520 /nfs/dbraw/zinc/75/85/20/506758520.db2.gz SKMPZNNIQWJPMN-UHFFFAOYSA-N 0 0 356.422 2.510 20 10 FFCDRN COCc1ccccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055524324 506769883 /nfs/dbraw/zinc/76/98/83/506769883.db2.gz MYNAVYKDUAOHIQ-UHFFFAOYSA-N 0 0 358.413 2.739 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCc3ccnc(OC)c3)CC2)cc1 ZINC000056385686 507001570 /nfs/dbraw/zinc/00/15/70/507001570.db2.gz BUQKRYSGKOWRBW-UHFFFAOYSA-N 0 0 370.453 2.521 20 10 FFCDRN CN(C)c1ccc(CNC(=O)COc2ccc(N3CCCC3=O)cc2)cc1 ZINC000015832898 507062438 /nfs/dbraw/zinc/06/24/38/507062438.db2.gz SRYBBNHJAVVXPA-UHFFFAOYSA-N 0 0 367.449 2.575 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](NC(=O)c2ccc(C)cc2)C(C)C)c1O ZINC000068488683 507249075 /nfs/dbraw/zinc/24/90/75/507249075.db2.gz FIKSNSOMAGJPEF-GOSISDBHSA-N 0 0 370.449 2.780 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCc3cn4ccsc4n3)ccc21 ZINC000057661497 507300869 /nfs/dbraw/zinc/30/08/69/507300869.db2.gz FNVXVQXRNRKETA-UHFFFAOYSA-N 0 0 355.467 2.778 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2ccccc2CN2CCOCC2)cc1 ZINC000048147487 507464561 /nfs/dbraw/zinc/46/45/61/507464561.db2.gz JTQJPUUEYACQCG-UHFFFAOYSA-N 0 0 368.481 2.907 20 10 FFCDRN Cc1noc([C@@H]2CCCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)n1 ZINC000064229139 507786406 /nfs/dbraw/zinc/78/64/06/507786406.db2.gz ZLMGYRIBTWBGBZ-QGZVFWFLSA-N 0 0 369.469 2.850 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNc3ncnc4c3cnn4C)cc2F)C[C@@H](C)O1 ZINC000052457213 507809850 /nfs/dbraw/zinc/80/98/50/507809850.db2.gz YFEDVHVXFXZAGQ-CHWSQXEVSA-N 0 0 370.432 2.728 20 10 FFCDRN CCNC(=O)COc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000031086925 507817304 /nfs/dbraw/zinc/81/73/04/507817304.db2.gz NRXQKRXSUBMTDO-UHFFFAOYSA-N 0 0 370.453 2.589 20 10 FFCDRN COc1cc(Br)cc(CN2CCC[C@H]2c2ncon2)c1O ZINC000371376785 512362096 /nfs/dbraw/zinc/36/20/96/512362096.db2.gz ZTQSBBWEVKSNAT-NSHDSACASA-N 0 0 354.204 2.883 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CCC(=O)N1CCC(c2ccccc2)=N1 ZINC000108248920 507882672 /nfs/dbraw/zinc/88/26/72/507882672.db2.gz ALLJMCPIQUSPKC-UHFFFAOYSA-N 0 0 365.433 2.767 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@H]3CCCN3Cc3ccccn3)ccc21 ZINC000073132648 507897066 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ZINC000190583866 510222633 /nfs/dbraw/zinc/22/26/33/510222633.db2.gz UCGJYRMALVGAKM-FPOVZHCZSA-N 0 0 357.498 2.654 20 10 FFCDRN C[C@@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000184294948 510245582 /nfs/dbraw/zinc/24/55/82/510245582.db2.gz KNKCWKRWVJVRAR-SZTZYQKNSA-N 0 0 357.479 2.913 20 10 FFCDRN CC(C)n1cnnc1[C@@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181054287 510258700 /nfs/dbraw/zinc/25/87/00/510258700.db2.gz SUUGPGLQAFXDBV-PMGBHYCQSA-N 0 0 356.426 2.690 20 10 FFCDRN O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)NCc1ccccc1O ZINC000269173591 510271871 /nfs/dbraw/zinc/27/18/71/510271871.db2.gz ZTHPNLWRZYWMJR-UHFFFAOYSA-N 0 0 371.481 2.667 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1CCCCC(=O)N1 ZINC000194324720 510313745 /nfs/dbraw/zinc/31/37/45/510313745.db2.gz RAQQAUCEMUNVEL-ZDUSSCGKSA-N 0 0 369.259 2.562 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1OC ZINC000181276549 510334047 /nfs/dbraw/zinc/33/40/47/510334047.db2.gz HWZKNGUVSDWLNL-GFCCVEGCSA-N 0 0 373.413 2.992 20 10 FFCDRN C[C@H](O)c1ccc(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000177955102 510343436 /nfs/dbraw/zinc/34/34/36/510343436.db2.gz CSILZLUUZHPVCM-CEUCYRDJSA-N 0 0 366.461 2.906 20 10 FFCDRN COc1cc(N(C)C[C@H](O)COc2ccccc2F)cc(OC)c1OC ZINC000266053688 510381819 /nfs/dbraw/zinc/38/18/19/510381819.db2.gz ZQQZYUVMCQENGZ-AWEZNQCLSA-N 0 0 365.401 2.728 20 10 FFCDRN C[C@H]([NH2+]CCCNC(=O)c1cccc(O)c1)c1ccc(F)c(F)c1[O-] ZINC000187689166 510388323 /nfs/dbraw/zinc/38/83/23/510388323.db2.gz QIDRHKLYEAQLOO-NSHDSACASA-N 0 0 350.365 2.847 20 10 FFCDRN CCc1ncsc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000269740444 510531779 /nfs/dbraw/zinc/53/17/79/510531779.db2.gz YWYRHZBDRREMDB-UHFFFAOYSA-N 0 0 358.467 2.561 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCOCC2(CCOCC2)C1 ZINC000184864576 510553419 /nfs/dbraw/zinc/55/34/19/510553419.db2.gz OIPWAKRWJQRYQE-UHFFFAOYSA-N 0 0 373.497 2.625 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNc3ncnc4nn(C)cc43)cc2F)C[C@@H](C)O1 ZINC000269823453 510561292 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COC[C@H](NC(=O)N1CCCN(c2ccc(OC)cc2)CC1)c1ccco1 ZINC000175708034 510747121 /nfs/dbraw/zinc/74/71/21/510747121.db2.gz BNYSAOBEPQDXNZ-SFHVURJKSA-N 0 0 373.453 2.898 20 10 FFCDRN Cc1nc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c(C)s1 ZINC000178793545 510775729 /nfs/dbraw/zinc/77/57/29/510775729.db2.gz IOPISVOVJNNSOW-UHFFFAOYSA-N 0 0 363.458 2.790 20 10 FFCDRN Cc1cc(C(=O)N=c2cc(-c3ccncc3)[nH][nH]2)c(C)n1-c1ccccn1 ZINC000360172806 510879798 /nfs/dbraw/zinc/87/97/98/510879798.db2.gz KUBQSYOVHXWSAZ-UHFFFAOYSA-N 0 0 358.405 2.948 20 10 FFCDRN CCOc1ccc(NCc2ccccc2O)cc1S(=O)(=O)N(C)C ZINC000285392995 510888989 /nfs/dbraw/zinc/88/89/89/510888989.db2.gz CDCHPCPVVSJTRQ-UHFFFAOYSA-N 0 0 350.440 2.653 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](CO)c2cnn(C)c2)c(C)n1-c1cccc(Cl)c1 ZINC000270529081 510897254 /nfs/dbraw/zinc/89/72/54/510897254.db2.gz VBODIIGUQNAQDJ-SFHVURJKSA-N 0 0 372.856 2.944 20 10 FFCDRN CCOc1cccc(CNc2ccc(C)c(S(=O)(=O)N(C)C)c2)c1O ZINC000285419799 510898549 /nfs/dbraw/zinc/89/85/49/510898549.db2.gz BVOUKQPGNQVIHD-UHFFFAOYSA-N 0 0 364.467 2.962 20 10 FFCDRN COC(=O)N[C@@H](C)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000270538307 510900183 /nfs/dbraw/zinc/90/01/83/510900183.db2.gz XCUDYWNDGKMTEO-AWEZNQCLSA-N 0 0 359.426 2.619 20 10 FFCDRN COC(=O)Cn1ccc(NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000275564876 510905015 /nfs/dbraw/zinc/90/50/15/510905015.db2.gz FVYYISLXDZWBIH-UHFFFAOYSA-N 0 0 373.457 2.565 20 10 FFCDRN CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(N(CC)CC)c(F)c2)C1(C)C ZINC000275650687 510908779 /nfs/dbraw/zinc/90/87/79/510908779.db2.gz LMYLRTWJXYFCPN-XLIONFOSSA-N 0 0 365.493 2.821 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3csc(Cl)n3)CC2)cc1F ZINC000275656893 510909718 /nfs/dbraw/zinc/90/97/18/510909718.db2.gz XSPVFUGKPQHNFN-UHFFFAOYSA-N 0 0 355.822 2.907 20 10 FFCDRN Fc1ccc([C@H](NCc2ccc(N3CCOCC3)cc2)c2nc[nH]n2)cc1 ZINC000293954573 510910054 /nfs/dbraw/zinc/91/00/54/510910054.db2.gz ZOUAHYPDCFPGDG-IBGZPJMESA-N 0 0 367.428 2.660 20 10 FFCDRN Cc1ncc(NC(=O)C(=O)N(CC2CCCC2)c2ccc(N)cc2)cn1 ZINC000275806756 510919549 /nfs/dbraw/zinc/91/95/49/510919549.db2.gz LROFHGDMCSGJOB-UHFFFAOYSA-N 0 0 353.426 2.529 20 10 FFCDRN CO[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000276148341 510928895 /nfs/dbraw/zinc/92/88/95/510928895.db2.gz PNWHQZWEMSTYKZ-APIJFGDWSA-N 0 0 367.465 2.662 20 10 FFCDRN CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(N2CCC(OC)CC2)cc1 ZINC000297417048 510936994 /nfs/dbraw/zinc/93/69/94/510936994.db2.gz GVXDTNNEOAYZLE-INIZCTEOSA-N 0 0 368.543 2.557 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ncnn1C ZINC000276522586 510940836 /nfs/dbraw/zinc/94/08/36/510940836.db2.gz ILZJQTFEWHJZIS-HNNXBMFYSA-N 0 0 356.474 2.612 20 10 FFCDRN Cc1nnc(COCC(=O)NCc2ccc(N3CCC(C)CC3)cc2)s1 ZINC000285527875 510942415 /nfs/dbraw/zinc/94/24/15/510942415.db2.gz SCHHLYDTMBSJNP-UHFFFAOYSA-N 0 0 374.510 2.916 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[C@H](N2CCCC2=O)C1 ZINC000276750122 510945506 /nfs/dbraw/zinc/94/55/06/510945506.db2.gz FRIVTRYAIXMSEA-HNNXBMFYSA-N 0 0 357.479 2.993 20 10 FFCDRN CCOCc1cc(CN[C@H](C(=O)OC)c2cccc(O)c2)ccc1OC ZINC000276796737 510947113 /nfs/dbraw/zinc/94/71/13/510947113.db2.gz USLDYQPVLLCNBS-IBGZPJMESA-N 0 0 359.422 2.941 20 10 FFCDRN Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000276855344 510948179 /nfs/dbraw/zinc/94/81/79/510948179.db2.gz JEHLMIRGLIIACP-CYBMUJFWSA-N 0 0 371.437 2.861 20 10 FFCDRN CC(C)N1CC(=O)N(Cc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1=O ZINC000277236476 510957238 /nfs/dbraw/zinc/95/72/38/510957238.db2.gz GYHDTYNSSYRLCU-OKILXGFUSA-N 0 0 363.433 2.612 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1COc2ccccc2C1 ZINC000277403141 510962304 /nfs/dbraw/zinc/96/23/04/510962304.db2.gz QDPCBZFEJLUEGL-OAHLLOKOSA-N 0 0 372.808 2.814 20 10 FFCDRN CC1(C)[C@H](NC(=O)NCc2cccc(Br)c2O)[C@@H]2CCO[C@H]21 ZINC000277481219 510963234 /nfs/dbraw/zinc/96/32/34/510963234.db2.gz PQRDWTOOBRTYEF-ZLKJLUDKSA-N 0 0 369.259 2.767 20 10 FFCDRN COc1ccc([C@H](CC(=O)[O-])[NH2+]Cc2ccc3c(c2)CCO3)cc1OC ZINC000277522302 510965024 /nfs/dbraw/zinc/96/50/24/510965024.db2.gz YUTVSDRMFAJBIA-INIZCTEOSA-N 0 0 357.406 2.944 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CC[S@](=O)C[C@H](C)C3)c2C)cc1 ZINC000277563134 510966285 /nfs/dbraw/zinc/96/62/85/510966285.db2.gz NJKKSHCYJOLYDV-PTFIGZPYSA-N 0 0 374.506 2.943 20 10 FFCDRN CN(c1ccc(CN2C(=O)N[C@@]3(CCOC3)C2=O)cc1)C1CCCCC1 ZINC000277851181 510975162 /nfs/dbraw/zinc/97/51/62/510975162.db2.gz NTWJRCGKKYKDSC-HXUWFJFHSA-N 0 0 357.454 2.666 20 10 FFCDRN COc1c(O)c(CN(C)Cc2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278269920 510987093 /nfs/dbraw/zinc/98/70/93/510987093.db2.gz RKLVOXGKUNFIFN-RUZDIDTESA-N 0 0 364.423 2.678 20 10 FFCDRN COc1c(O)c(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000278467041 510993459 /nfs/dbraw/zinc/99/34/59/510993459.db2.gz GJXXJWRDANIACW-ZDUSSCGKSA-N 0 0 352.774 2.786 20 10 FFCDRN COc1ccc(OC)c(CC[NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])c1 ZINC000278558000 510999273 /nfs/dbraw/zinc/99/92/73/510999273.db2.gz AUTIGCUBFXSZIE-UHFFFAOYSA-N 0 0 362.382 2.659 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000278629486 511001794 /nfs/dbraw/zinc/00/17/94/511001794.db2.gz GQFZRKSGRPFCEY-MRXNPFEDSA-N 0 0 357.410 2.673 20 10 FFCDRN COCCO[C@@H]1C[C@@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000278750707 511005610 /nfs/dbraw/zinc/00/56/10/511005610.db2.gz SDXWIMXZGJCXSU-BXUZGUMPSA-N 0 0 364.269 2.545 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@H]1[C@@H]1CCCO1 ZINC000285812311 511014707 /nfs/dbraw/zinc/01/47/07/511014707.db2.gz NLMPCSWZWJPJCV-HHNWVZKSSA-N 0 0 356.466 2.706 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@H]1[C@H]1CCCO1 ZINC000285812307 511015038 /nfs/dbraw/zinc/01/50/38/511015038.db2.gz NLMPCSWZWJPJCV-GSSTWSARSA-N 0 0 356.466 2.706 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ncccc1C ZINC000285881224 511016797 /nfs/dbraw/zinc/01/67/97/511016797.db2.gz LOQQQKVJMDNIJA-UHFFFAOYSA-N 0 0 355.438 2.541 20 10 FFCDRN CCc1nc(C)cc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)n1 ZINC000286740698 511031348 /nfs/dbraw/zinc/03/13/48/511031348.db2.gz QVPALMNFWJHWSH-UHFFFAOYSA-N 0 0 353.470 2.628 20 10 FFCDRN CO[C@H](C)CN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000286808658 511032424 /nfs/dbraw/zinc/03/24/24/511032424.db2.gz ZJSDRPBALRTUOO-RBSFLKMASA-N 0 0 367.465 2.616 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cn(CCOC)c(C)cc2=O)cc1 ZINC000287356852 511048591 /nfs/dbraw/zinc/04/85/91/511048591.db2.gz YOVXMCBFJVXWDW-UHFFFAOYSA-N 0 0 371.481 2.579 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000287487168 511050356 /nfs/dbraw/zinc/05/03/56/511050356.db2.gz GRPAXOCGSMTWRY-INIZCTEOSA-N 0 0 362.470 2.595 20 10 FFCDRN C[C@@H]1COCC[C@H]1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000287925352 511060443 /nfs/dbraw/zinc/06/04/43/511060443.db2.gz RGMNCMHWLMCZCM-RYRKJORJSA-N 0 0 362.470 2.755 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)CCc1cccn1C ZINC000287933651 511060664 /nfs/dbraw/zinc/06/06/64/511060664.db2.gz GDDUSBGKQKIRLV-INIZCTEOSA-N 0 0 371.481 2.607 20 10 FFCDRN C[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1cccs1 ZINC000288042736 511063894 /nfs/dbraw/zinc/06/38/94/511063894.db2.gz MLYALMFLANRKJZ-OAHLLOKOSA-N 0 0 373.522 2.768 20 10 FFCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000288544832 511079361 /nfs/dbraw/zinc/07/93/61/511079361.db2.gz SMHIGXXKSDDSQC-OUEOUJKYSA-N 0 0 351.450 2.985 20 10 FFCDRN CC(=O)N(C)C1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000332268191 511080031 /nfs/dbraw/zinc/08/00/31/511080031.db2.gz FSUFHNVXRZTYQR-UHFFFAOYSA-N 0 0 356.470 2.639 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCC[C@H]1CCCCO1 ZINC000288840547 511087943 /nfs/dbraw/zinc/08/79/43/511087943.db2.gz JTLBWISZMSAAPB-QGZVFWFLSA-N 0 0 362.470 2.596 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H](C2CCCC2)C(F)(F)F)cc1 ZINC000297870899 511095218 /nfs/dbraw/zinc/09/52/18/511095218.db2.gz MPOFLUWPPIXCDW-OAHLLOKOSA-N 0 0 371.403 2.606 20 10 FFCDRN CC(=O)c1cc(F)cc(CN[C@@H](C)c2noc(COC(C)C)n2)c1O ZINC000289441273 511101812 /nfs/dbraw/zinc/10/18/12/511101812.db2.gz FAQDXXGEZOYIHQ-JTQLQIEISA-N 0 0 351.378 2.893 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1snnc1C1CC1 ZINC000289508431 511103452 /nfs/dbraw/zinc/10/34/52/511103452.db2.gz LNLFWHYVJICXOF-UHFFFAOYSA-N 0 0 358.467 2.524 20 10 FFCDRN CCOc1cccc(CNc2ccc(OC)c(NS(C)(=O)=O)c2)c1O ZINC000282773159 511106602 /nfs/dbraw/zinc/10/66/02/511106602.db2.gz JUDKBRRZSZUELB-UHFFFAOYSA-N 0 0 366.439 2.783 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1C(F)(F)F)[C@H]1CCS(=O)(=O)C1 ZINC000279534493 511118280 /nfs/dbraw/zinc/11/82/80/511118280.db2.gz CGHMXAADMRLRLJ-AWEZNQCLSA-N 0 0 364.433 2.780 20 10 FFCDRN CCOCc1nc([C@@H](C)NCc2cc(Br)ccc2O)no1 ZINC000290960422 511155668 /nfs/dbraw/zinc/15/56/68/511155668.db2.gz RLUOEQBDCIEQNH-SECBINFHSA-N 0 0 356.220 2.925 20 10 FFCDRN CC(=O)N1CCC[C@@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000279651951 511162540 /nfs/dbraw/zinc/16/25/40/511162540.db2.gz FEZVHSMAGNUIJY-IBGZPJMESA-N 0 0 374.529 2.931 20 10 FFCDRN COC1CCN(c2ccc(C[N@@H+]3CC[C@](O)(C(F)(F)F)C3)cc2)CC1 ZINC000294873401 511205840 /nfs/dbraw/zinc/20/58/40/511205840.db2.gz DXMALNQIVCTJIF-QGZVFWFLSA-N 0 0 358.404 2.801 20 10 FFCDRN CN(c1ccc(CNC(=O)NCc2cncnc2N)cc1)C1CCCCC1 ZINC000271488684 511222080 /nfs/dbraw/zinc/22/20/80/511222080.db2.gz FDSJVELGTCBCDR-UHFFFAOYSA-N 0 0 368.485 2.827 20 10 FFCDRN CCN(CC)c1ccc(CNc2cccc(NC(=O)C(N)=O)c2)cc1F ZINC000283101959 511236505 /nfs/dbraw/zinc/23/65/05/511236505.db2.gz XIHYBKBTTAERHR-UHFFFAOYSA-N 0 0 358.417 2.708 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2ccccc2-n2cnnn2)C2CC2)cc1 ZINC000298386159 511266899 /nfs/dbraw/zinc/26/68/99/511266899.db2.gz RADQRUBZWXPLMK-UHFFFAOYSA-N 0 0 362.437 2.533 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CC[C@](CO)(c3ccccc3)C2)cc1 ZINC000291772243 511331832 /nfs/dbraw/zinc/33/18/32/511331832.db2.gz DUYVDPHCRPKKFD-NRFANRHFSA-N 0 0 353.466 2.598 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)N(C)C)CC1 ZINC000298617138 511349193 /nfs/dbraw/zinc/34/91/93/511349193.db2.gz MVLCUDCTYQYZFB-UHFFFAOYSA-N 0 0 374.529 2.883 20 10 FFCDRN Cc1ncc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c(C)n1 ZINC000271922071 511372822 /nfs/dbraw/zinc/37/28/22/511372822.db2.gz FARGGJLVWPVSAM-STQMWFEESA-N 0 0 372.444 2.776 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2nc(-c3cccc(F)c3)no2)c1 ZINC000365335631 511387238 /nfs/dbraw/zinc/38/72/38/511387238.db2.gz FSJGHCICTAJWRM-UHFFFAOYSA-N 0 0 372.356 2.589 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295406717 511394112 /nfs/dbraw/zinc/39/41/12/511394112.db2.gz WAAJRIMGIGBVRC-NRFANRHFSA-N 0 0 370.424 2.975 20 10 FFCDRN CC(=O)NCCCCCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000298783316 511409116 /nfs/dbraw/zinc/40/91/16/511409116.db2.gz AHMFLRAJFLBMOA-GOSISDBHSA-N 0 0 362.470 2.596 20 10 FFCDRN Cn1ccnc1[C@H](O)C1CC[NH+](Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000295469090 511415899 /nfs/dbraw/zinc/41/58/99/511415899.db2.gz WJTGPRHWPRPCRH-MRXNPFEDSA-N 0 0 353.825 2.864 20 10 FFCDRN CC1(C)C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C(C)(C)O1 ZINC000272142525 511444827 /nfs/dbraw/zinc/44/48/27/511444827.db2.gz BRTALDRDMZZDPO-QGZVFWFLSA-N 0 0 361.486 2.669 20 10 FFCDRN COc1ccccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298916411 511451858 /nfs/dbraw/zinc/45/18/58/511451858.db2.gz AXXFIWSPEGDXQN-UHFFFAOYSA-N 0 0 367.449 2.891 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2cncn2)nc1 ZINC000298949771 511461921 /nfs/dbraw/zinc/46/19/21/511461921.db2.gz HRKGXMVLFRZPAX-UHFFFAOYSA-N 0 0 364.453 2.779 20 10 FFCDRN CN(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCOC1 ZINC000363296247 511468454 /nfs/dbraw/zinc/46/84/54/511468454.db2.gz UZCWHOZUFFKZTQ-ZFWWWQNUSA-N 0 0 369.412 2.687 20 10 FFCDRN COc1cc2c(cc1CNC(=O)/C=C/c1ccc(O)c(O)c1)O[C@@H](C)C2 ZINC000272376554 511492186 /nfs/dbraw/zinc/49/21/86/511492186.db2.gz FCXXEVFWGFNLRO-FUEXJSSKSA-N 0 0 355.390 2.759 20 10 FFCDRN COc1cc(C(C)=O)ccc1OCCCC(=O)NCc1ccc(O)c(O)c1 ZINC000272392260 511493042 /nfs/dbraw/zinc/49/30/42/511493042.db2.gz XYLYOUUANCZSQY-UHFFFAOYSA-N 0 0 373.405 2.784 20 10 FFCDRN C[C@H]1CN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cn2)C[C@H](C)O1 ZINC000272559120 511498935 /nfs/dbraw/zinc/49/89/35/511498935.db2.gz ZQLABMTXLXETCG-CSNMRHKHSA-N 0 0 369.421 2.758 20 10 FFCDRN Cc1ncsc1CCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000299057721 511499610 /nfs/dbraw/zinc/49/96/10/511499610.db2.gz SKIKZRPJWVAIBZ-UHFFFAOYSA-N 0 0 363.458 2.676 20 10 FFCDRN COC(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000299108324 511518551 /nfs/dbraw/zinc/51/85/51/511518551.db2.gz XOXCKLWKUCFWME-UHFFFAOYSA-N 0 0 355.438 2.985 20 10 FFCDRN Cc1cccc([C@@H]2CCN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)c1 ZINC000273227302 511520147 /nfs/dbraw/zinc/52/01/47/511520147.db2.gz LKVZLTKITTUIAP-OAHLLOKOSA-N 0 0 374.462 2.702 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cnn(C)c1Br ZINC000273258128 511520195 /nfs/dbraw/zinc/52/01/95/511520195.db2.gz SNXMFGWNHZHZOZ-UHFFFAOYSA-N 0 0 352.232 2.941 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCCS1(=O)=O ZINC000273260585 511520804 /nfs/dbraw/zinc/52/08/04/511520804.db2.gz MUZZHXHYNNEVOK-GOSISDBHSA-N 0 0 364.511 2.603 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000273361754 511523144 /nfs/dbraw/zinc/52/31/44/511523144.db2.gz ANDQPQBFKKXTLU-CJNGLKHVSA-N 0 0 368.433 2.914 20 10 FFCDRN C[C@]1(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO[C@@H]1C1CC1 ZINC000273351660 511523619 /nfs/dbraw/zinc/52/36/19/511523619.db2.gz RYSUSDYRBXQREM-MSEXLCABSA-N 0 0 356.466 2.610 20 10 FFCDRN CC(=O)N1CCN(CC[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000273386044 511524255 /nfs/dbraw/zinc/52/42/55/511524255.db2.gz JPNJUDSHVAGEKT-LLVKDONJSA-N 0 0 360.285 2.514 20 10 FFCDRN C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273403612 511525050 /nfs/dbraw/zinc/52/50/50/511525050.db2.gz NVHTYBVXZFEHBP-ZDUSSCGKSA-N 0 0 364.423 2.815 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273424144 511525191 /nfs/dbraw/zinc/52/51/91/511525191.db2.gz SXSSPHRHLVTQAN-NSHDSACASA-N 0 0 365.411 2.523 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464396 511527617 /nfs/dbraw/zinc/52/76/17/511527617.db2.gz IOVBNAYGSIFJDL-DYVFJYSZSA-N 0 0 355.394 2.752 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273480392 511529598 /nfs/dbraw/zinc/52/95/98/511529598.db2.gz UGXFSUWUGHORAI-CXAGYDPISA-N 0 0 370.409 2.537 20 10 FFCDRN COc1cc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC ZINC000273525166 511530153 /nfs/dbraw/zinc/53/01/53/511530153.db2.gz XNVHVYQECLJPFG-UHFFFAOYSA-N 0 0 373.409 2.947 20 10 FFCDRN CCOCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1 ZINC000280625992 511538263 /nfs/dbraw/zinc/53/82/63/511538263.db2.gz SIFIHYHYCFMCFH-UHFFFAOYSA-N 0 0 367.423 2.617 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC(=O)N(C)c2ccccc21 ZINC000365605724 511556870 /nfs/dbraw/zinc/55/68/70/511556870.db2.gz COMREKVFLWQQRO-MRXNPFEDSA-N 0 0 365.433 2.628 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnc(C)nc3C3CC3)CC2)cc1 ZINC000280883238 511640248 /nfs/dbraw/zinc/64/02/48/511640248.db2.gz BGDPVCBAIOGAGC-UHFFFAOYSA-N 0 0 352.438 2.633 20 10 FFCDRN CCn1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C(F)(F)F)n1 ZINC000280989359 511679173 /nfs/dbraw/zinc/67/91/73/511679173.db2.gz DUAIHMVEEDLZQE-SECBINFHSA-N 0 0 357.332 2.694 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1ncnc(-n2cccn2)c1N ZINC000301776881 511702295 /nfs/dbraw/zinc/70/22/95/511702295.db2.gz LSMFRZHXQHHKNI-UHFFFAOYSA-N 0 0 363.469 2.871 20 10 FFCDRN COC(=O)c1ccc(N2CCN(c3ccc(OC)c(F)c3)CC2)nc1C ZINC000301970725 511704684 /nfs/dbraw/zinc/70/46/84/511704684.db2.gz RPTHLXFNQWTSGX-UHFFFAOYSA-N 0 0 359.401 2.651 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000296378973 511719836 /nfs/dbraw/zinc/71/98/36/511719836.db2.gz SZPDXEYMPBFVRB-GFCCVEGCSA-N 0 0 359.401 2.790 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)N(C)CCO2 ZINC000281252273 511775931 /nfs/dbraw/zinc/77/59/31/511775931.db2.gz FCWZDWQURIAPRD-GFCCVEGCSA-N 0 0 357.410 2.679 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc([C@H]3CCOC3)cc2)cc1 ZINC000292984129 511795905 /nfs/dbraw/zinc/79/59/05/511795905.db2.gz HXGQZHNXRHJYOV-KRWDZBQOSA-N 0 0 367.449 2.511 20 10 FFCDRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000274350906 511804582 /nfs/dbraw/zinc/80/45/82/511804582.db2.gz BABNVYWCZJYQRU-CQSZACIVSA-N 0 0 364.490 2.807 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)[C@@H]2CCO[C@@H](C)C2)cc1F ZINC000296584538 511807350 /nfs/dbraw/zinc/80/73/50/511807350.db2.gz FAQSFHDWVHYWNW-DZGCQCFKSA-N 0 0 358.479 2.659 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(O)c(O)c1)N(C(=O)OC(C)(C)C)C1CC1 ZINC000296633363 511829193 /nfs/dbraw/zinc/82/91/93/511829193.db2.gz VVJBNJIJEUQRQT-NSHDSACASA-N 0 0 350.415 2.502 20 10 FFCDRN CCC(CC)(CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000293346556 511931687 /nfs/dbraw/zinc/93/16/87/511931687.db2.gz GTFAAVIEVMZSOK-UHFFFAOYSA-N 0 0 363.502 2.870 20 10 FFCDRN CNC(=O)CSCC(=O)c1cc(C)n(-c2ccc(C(=O)OC)cc2)c1C ZINC000281761608 511956708 /nfs/dbraw/zinc/95/67/08/511956708.db2.gz YVHKRNYYXWDBSX-UHFFFAOYSA-N 0 0 374.462 2.543 20 10 FFCDRN Cc1cc(C)c([C@H](C)Nc2cccc(C(=O)NCCC(N)=O)c2)c(O)c1 ZINC000284995195 511961171 /nfs/dbraw/zinc/96/11/71/511961171.db2.gz GQDHLSSANOVKKU-AWEZNQCLSA-N 0 0 355.438 2.787 20 10 FFCDRN CNC(=O)NCCC(=O)N(Cc1ccccc1O)[C@@H](C)c1ccccc1 ZINC000293472736 511978047 /nfs/dbraw/zinc/97/80/47/511978047.db2.gz MIEXMDLTROAKKT-HNNXBMFYSA-N 0 0 355.438 2.801 20 10 FFCDRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000274947447 511996019 /nfs/dbraw/zinc/99/60/19/511996019.db2.gz QZISAZRMHBNJJI-WBMJQRKESA-N 0 0 366.458 2.694 20 10 FFCDRN COc1cccc(OC)c1OC1CCN(C(=O)c2cccc(O)c2O)CC1 ZINC000274990369 512008616 /nfs/dbraw/zinc/00/86/16/512008616.db2.gz RONXVHRTEZAWAY-UHFFFAOYSA-N 0 0 373.405 2.799 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCCCCCS(C)(=O)=O ZINC000275070305 512031876 /nfs/dbraw/zinc/03/18/76/512031876.db2.gz ZCAGEGVAMKQMNW-UHFFFAOYSA-N 0 0 356.488 2.529 20 10 FFCDRN CCOc1cccc(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC000364325249 512086127 /nfs/dbraw/zinc/08/61/27/512086127.db2.gz POXFLTSRFKJOGR-HNNXBMFYSA-N 0 0 366.458 2.516 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc3c(c2)NC(=O)CCS3)c(O)c1 ZINC000373665295 512448669 /nfs/dbraw/zinc/44/86/69/512448669.db2.gz BNWCDROFTOBREO-UHFFFAOYSA-N 0 0 358.419 2.765 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1CCC[C@H]1C1CC1 ZINC000371571862 512471969 /nfs/dbraw/zinc/47/19/69/512471969.db2.gz MZAUNBKRCJHIFZ-SFHVURJKSA-N 0 0 361.461 2.871 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCO[C@@]3(CCOC3)C2)c(C)n1-c1ccccn1 ZINC000375899499 512560236 /nfs/dbraw/zinc/56/02/36/512560236.db2.gz CFJBQKXXDMPCRM-UZLBHIALSA-N 0 0 355.438 2.557 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCO[C@]3(CCOC3)C2)c(C)n1-c1ccccn1 ZINC000375899497 512560310 /nfs/dbraw/zinc/56/03/10/512560310.db2.gz CFJBQKXXDMPCRM-OXJNMPFZSA-N 0 0 355.438 2.557 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@]2(CCCOC2)O1 ZINC000369798996 512618399 /nfs/dbraw/zinc/61/83/99/512618399.db2.gz JEJNIBPWUXLIHG-UTKZUKDTSA-N 0 0 371.481 2.542 20 10 FFCDRN O=C(c1occ2c1CCOC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000376144682 512681837 /nfs/dbraw/zinc/68/18/37/512681837.db2.gz PQPVMBPPFSETGO-MRXNPFEDSA-N 0 0 357.406 2.879 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CCC(c3ccccn3)CC2)cc1 ZINC000372216992 512766423 /nfs/dbraw/zinc/76/64/23/512766423.db2.gz KKIBBDBGHBOBKI-UHFFFAOYSA-N 0 0 352.482 2.643 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)[C@H]3C[C@H](OC)CCN3C2=O)cc1F ZINC000370105972 512769682 /nfs/dbraw/zinc/76/96/82/512769682.db2.gz SSZXLGFNTZMDOJ-RHSMWYFYSA-N 0 0 363.433 2.614 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000370181928 512808622 /nfs/dbraw/zinc/80/86/22/512808622.db2.gz BUKMMDIZUMXQMH-LJQANCHMSA-N 0 0 364.442 2.664 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3nnc(C4CC4)n3C2)cc1 ZINC000368342968 512906725 /nfs/dbraw/zinc/90/67/25/512906725.db2.gz STVFPYMRVAVUQJ-KRWDZBQOSA-N 0 0 367.497 2.881 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3nnc(C4CC4)n3C2)cc1 ZINC000368342970 512906938 /nfs/dbraw/zinc/90/69/38/512906938.db2.gz STVFPYMRVAVUQJ-QGZVFWFLSA-N 0 0 367.497 2.881 20 10 FFCDRN CCN(CC)c1ccc(CN2CCOC[C@@H]2c2noc(COC)n2)cc1 ZINC000374797733 513009237 /nfs/dbraw/zinc/00/92/37/513009237.db2.gz FXJUCRMBQLHKSR-QGZVFWFLSA-N 0 0 360.458 2.636 20 10 FFCDRN CC(C)N1CC(=O)N(C2CCN(c3ccc(OC(F)F)cc3)CC2)C1=O ZINC000372935236 513108332 /nfs/dbraw/zinc/10/83/32/513108332.db2.gz QKCJUZZQPPTORR-UHFFFAOYSA-N 0 0 367.396 2.929 20 10 FFCDRN Cn1cc(-c2nn(C)cc2C(=O)N2CCCc3cc(F)c(F)cc32)cn1 ZINC000445587139 514496377 /nfs/dbraw/zinc/49/63/77/514496377.db2.gz JBVKCZRCJAATBC-UHFFFAOYSA-N 0 0 357.364 2.692 20 10 FFCDRN COc1c2cnn(C)c2ncc1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471232112 514807534 /nfs/dbraw/zinc/80/75/34/514807534.db2.gz RXLPHNDSOUFPOC-UHFFFAOYSA-N 0 0 363.421 2.707 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cn1cnc2ccccc2c1=O ZINC000471237228 514808348 /nfs/dbraw/zinc/80/83/48/514808348.db2.gz MOAVXSVUOQQXJL-UHFFFAOYSA-N 0 0 360.417 2.513 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1S(C)(=O)=O ZINC000471235228 514808790 /nfs/dbraw/zinc/80/87/90/514808790.db2.gz ONDWNCVWTJTYPN-UHFFFAOYSA-N 0 0 356.447 2.820 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccncc1N1CCCC1 ZINC000475963903 514868692 /nfs/dbraw/zinc/86/86/92/514868692.db2.gz AYOVNTMVDZAIEU-UHFFFAOYSA-N 0 0 352.438 2.787 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1CCN(C(=O)C2CC2)CC1 ZINC000471601644 514949657 /nfs/dbraw/zinc/94/96/57/514949657.db2.gz JWLLYVZKNSJQTL-UHFFFAOYSA-N 0 0 368.481 2.687 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H](C)c1nnc2n1CCC2 ZINC000471863717 515034894 /nfs/dbraw/zinc/03/48/94/515034894.db2.gz GKTTXEYEEQJLSZ-CYBMUJFWSA-N 0 0 352.442 2.585 20 10 FFCDRN CN(C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1cnn(C)c1 ZINC000460187969 516060681 /nfs/dbraw/zinc/06/06/81/516060681.db2.gz VGPUGVOCISOLGH-UHFFFAOYSA-N 0 0 358.405 2.944 20 10 FFCDRN CSc1nsc(NC(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000541093504 516871588 /nfs/dbraw/zinc/87/15/88/516871588.db2.gz CSDFQEVJZXLIIV-UHFFFAOYSA-N 0 0 351.457 2.757 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H]1c1nncn1C ZINC000525934629 517244354 /nfs/dbraw/zinc/24/43/54/517244354.db2.gz YILATWQUMHPIHB-INIZCTEOSA-N 0 0 352.442 2.662 20 10 FFCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)Nc2nncs2)C1 ZINC000515281897 517279711 /nfs/dbraw/zinc/27/97/11/517279711.db2.gz OQMIUGNXNOZXTN-UHFFFAOYSA-N 0 0 355.467 2.898 20 10 FFCDRN Cc1cc(-c2nc(-c3ncccn3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000545611522 517310585 /nfs/dbraw/zinc/31/05/85/517310585.db2.gz STMCUYJVLNQRJI-UHFFFAOYSA-N 0 0 363.402 2.718 20 10 FFCDRN Cc1ccc2c(c1)N(S(=O)(=O)c1cccc3nsnc31)C[C@H](C)O2 ZINC000531118190 518142540 /nfs/dbraw/zinc/14/25/40/518142540.db2.gz JXJCZZUKKOJHIP-NSHDSACASA-N 0 0 361.448 2.976 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000593076828 520728284 /nfs/dbraw/zinc/72/82/84/520728284.db2.gz SYHDZSVUGOCCCV-UHFFFAOYSA-N 0 0 359.357 2.768 20 10 FFCDRN COC(=O)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1F ZINC000610885768 520892197 /nfs/dbraw/zinc/89/21/97/520892197.db2.gz CROBUGKPPATKRK-UHFFFAOYSA-N 0 0 358.369 2.718 20 10 FFCDRN Cn1cc(C(=O)N2CCCc3c([N+](=O)[O-])cccc32)c(-c2cccnc2)n1 ZINC000611093566 520981698 /nfs/dbraw/zinc/98/16/98/520981698.db2.gz QCYPHCSSQCLSOP-UHFFFAOYSA-N 0 0 363.377 2.983 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@]1(C)COc2ccccc2O1 ZINC000625915918 521782423 /nfs/dbraw/zinc/78/24/23/521782423.db2.gz DRKUHUXHEIGMMM-FQEVSTJZSA-N 0 0 354.406 2.708 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2ccc[nH]c2=O)CCCC1 ZINC000629421084 522209009 /nfs/dbraw/zinc/20/90/09/522209009.db2.gz UKYCJGRUOVRQRT-UHFFFAOYSA-N 0 0 365.433 2.946 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)[C@](C)(CO)C3)ccc21 ZINC000620453159 522242806 /nfs/dbraw/zinc/24/28/06/522242806.db2.gz RJXJSJOLFSITKC-SZNDQCEHSA-N 0 0 358.482 2.995 20 10 FFCDRN Cc1cc(C(=O)OC[C@@H]2CCCO2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737243744 598623366 /nfs/dbraw/zinc/62/33/66/598623366.db2.gz VWTRPHNNHCCSHK-INIZCTEOSA-N 0 0 367.409 2.610 20 10 FFCDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000826243841 607651429 /nfs/dbraw/zinc/65/14/29/607651429.db2.gz XKWHUZGKBZAUOA-UHFFFAOYSA-N 0 0 350.426 2.513 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1O ZINC000833307571 604639737 /nfs/dbraw/zinc/63/97/37/604639737.db2.gz JHHBYJQFKATOEN-IAGOWNOFSA-N 0 0 359.447 2.950 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825483853 604933593 /nfs/dbraw/zinc/93/35/93/604933593.db2.gz BNEMWYNFDPLYBW-LSDHHAIUSA-N 0 0 365.449 2.703 20 10 FFCDRN COc1ccc(O)c([C@H](C)[NH2+]CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000833733914 605128221 /nfs/dbraw/zinc/12/82/21/605128221.db2.gz VLNPHUOJHMEOKW-LBPRGKRZSA-N 0 0 358.394 2.697 20 10 FFCDRN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1 ZINC000833419608 605552854 /nfs/dbraw/zinc/55/28/54/605552854.db2.gz HIKIGVLNSOTMSY-MRXNPFEDSA-N 0 0 364.461 2.985 20 10 FFCDRN O=C([O-])NC1CCC([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)CC1 ZINC000834163444 605588651 /nfs/dbraw/zinc/58/86/51/605588651.db2.gz MJLOWGSQISLUJN-UHFFFAOYSA-N 0 0 361.486 2.564 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821222068 606574396 /nfs/dbraw/zinc/57/43/96/606574396.db2.gz OGBFRAQXMKRZRQ-UHFFFAOYSA-N 0 0 350.426 2.595 20 10 FFCDRN CCN(Cc1ccc(-c2nn[nH]n2)cc1OC)c1ccc(OC)c(OC)c1 ZINC000825428106 608370067 /nfs/dbraw/zinc/37/00/67/608370067.db2.gz BSTFTPKUJWJXKA-UHFFFAOYSA-N 0 0 369.425 2.919 20 10 FFCDRN O=[N+]([O-])c1cccc(CS(=O)(=O)NCCCSc2nccs2)c1 ZINC000153799268 728788954 /nfs/dbraw/zinc/78/89/54/728788954.db2.gz MOZKJPDXVLJREW-UHFFFAOYSA-N 0 0 373.481 2.653 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@@H]1CCCS1(=O)=O ZINC000153592923 728783601 /nfs/dbraw/zinc/78/36/01/728783601.db2.gz IZKPIUOZHSEXOO-INIZCTEOSA-N 0 0 360.479 2.710 20 10 FFCDRN C[C@@]1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CCCO1 ZINC000153619104 728784427 /nfs/dbraw/zinc/78/44/27/728784427.db2.gz UIHQENGCZDHPGA-ACJLOTCBSA-N 0 0 354.397 2.942 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@H](O)c1cccc(F)c1 ZINC000154559973 728806996 /nfs/dbraw/zinc/80/69/96/728806996.db2.gz ZRPMRTKJKLYSIJ-ZDUSSCGKSA-N 0 0 355.460 2.797 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(Br)cn2C)c1 ZINC000157817062 728877635 /nfs/dbraw/zinc/87/76/35/728877635.db2.gz UZDWJLJWJMVWLB-SECBINFHSA-N 0 0 353.216 2.993 20 10 FFCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000743259921 735286054 /nfs/dbraw/zinc/28/60/54/735286054.db2.gz QEARFGRXTNNAJK-UHFFFAOYSA-N 0 0 355.799 2.926 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000159635356 728910206 /nfs/dbraw/zinc/91/02/06/728910206.db2.gz NFIKLTGBKGBOJE-UHFFFAOYSA-N 0 0 356.787 2.775 20 10 FFCDRN COC[C@H](O)CCNC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000161141820 728929075 /nfs/dbraw/zinc/92/90/75/728929075.db2.gz WKCADDPGNFDSQW-MRXNPFEDSA-N 0 0 350.846 2.875 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccccc2Br)c1O ZINC000161109477 728929243 /nfs/dbraw/zinc/92/92/43/728929243.db2.gz UJOMCMDOKKSIDT-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc3cnccc32)c1 ZINC000161170549 728929658 /nfs/dbraw/zinc/92/96/58/728929658.db2.gz WDQICLFGMXJJEV-LBPRGKRZSA-N 0 0 358.419 2.989 20 10 FFCDRN COC[C@@H](O)CCNC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000161462472 728932278 /nfs/dbraw/zinc/93/22/78/728932278.db2.gz FFPYQEBOIUMOCN-INIZCTEOSA-N 0 0 350.846 2.875 20 10 FFCDRN CC(C)(C)c1cnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)s1 ZINC000743738771 735317858 /nfs/dbraw/zinc/31/78/58/735317858.db2.gz DZFSMXPKWYXVMD-UHFFFAOYSA-N 0 0 369.468 2.770 20 10 FFCDRN CC(C)(C)OC(=O)CSCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000743719881 735317449 /nfs/dbraw/zinc/31/74/49/735317449.db2.gz YHQVSTOBYHKRBM-UHFFFAOYSA-N 0 0 365.495 2.962 20 10 FFCDRN COC[C@](C)(O)CNC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000743771360 735318886 /nfs/dbraw/zinc/31/88/86/735318886.db2.gz GTMMPGJCXAEPLJ-LJQANCHMSA-N 0 0 364.873 2.804 20 10 FFCDRN O=c1cc(N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])C2)nc[nH]1 ZINC000898159132 735320170 /nfs/dbraw/zinc/32/01/70/735320170.db2.gz OQVSSUYAVDOZRS-LLVKDONJSA-N 0 0 355.225 2.563 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@H]([C@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000898516185 735374222 /nfs/dbraw/zinc/37/42/22/735374222.db2.gz NQPKLKXMNRSPNY-ZFWWWQNUSA-N 0 0 350.415 2.948 20 10 FFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898720887 735399218 /nfs/dbraw/zinc/39/92/18/735399218.db2.gz NOJFBECQUDNMKZ-JTQLQIEISA-N 0 0 358.186 2.734 20 10 FFCDRN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)[C@]1(O)CCCOC1 ZINC000898979689 735429061 /nfs/dbraw/zinc/42/90/61/735429061.db2.gz KLTUDXUNQVZPAM-SFHVURJKSA-N 0 0 365.451 2.610 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1 ZINC000745827342 735446531 /nfs/dbraw/zinc/44/65/31/735446531.db2.gz FREPGINCTQVZKE-IUODEOHRSA-N 0 0 359.392 2.922 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC2(SC)CCOCC2)c1 ZINC000745868664 735448221 /nfs/dbraw/zinc/44/82/21/735448221.db2.gz LFTANQZUEUHAKQ-LBPRGKRZSA-N 0 0 354.472 2.673 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000005923666 727783801 /nfs/dbraw/zinc/78/38/01/727783801.db2.gz IVYVBVPJBUZMAW-UHFFFAOYSA-N 0 0 354.453 2.557 20 10 FFCDRN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1Cl ZINC000028257023 727884395 /nfs/dbraw/zinc/88/43/95/727884395.db2.gz WDQAEQGKYBXIMN-UHFFFAOYSA-N 0 0 360.844 2.512 20 10 FFCDRN O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1CCN1CCOCC1 ZINC000028843807 727887707 /nfs/dbraw/zinc/88/77/07/727887707.db2.gz WGOVSLWXODKDNW-KAMYIIQDSA-N 0 0 368.911 2.873 20 10 FFCDRN CCNC(=O)NC(=O)[C@H](C)N1CCCc2cc(OC(F)(F)F)ccc21 ZINC000029923122 727899224 /nfs/dbraw/zinc/89/92/24/727899224.db2.gz INZHRYJTJMYYKK-JTQLQIEISA-N 0 0 359.348 2.572 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccc(Br)cc1 ZINC000040692042 727936230 /nfs/dbraw/zinc/93/62/30/727936230.db2.gz SKZNNOQTSURPKF-UHFFFAOYSA-N 0 0 356.241 2.975 20 10 FFCDRN Cc1cccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1C ZINC000066651235 728176157 /nfs/dbraw/zinc/17/61/57/728176157.db2.gz XACNMPJUDQJZGO-VBKFSLOCSA-N 0 0 362.520 2.837 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 ZINC000077899623 728289008 /nfs/dbraw/zinc/28/90/08/728289008.db2.gz KUZPZHHGUHNRNV-UHFFFAOYSA-N 0 0 360.266 2.933 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CSCC(=O)OC(C)(C)C ZINC000078115388 728291598 /nfs/dbraw/zinc/29/15/98/728291598.db2.gz ODACGYLTGCCCEP-UHFFFAOYSA-N 0 0 352.500 2.752 20 10 FFCDRN CCCCN(CCO)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000079517615 728313849 /nfs/dbraw/zinc/31/38/49/728313849.db2.gz YDQDMUOBZDHCFR-UHFFFAOYSA-N 0 0 351.516 2.544 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)NCCC(C)(C)C)CC2)cc1F ZINC000084866833 728426498 /nfs/dbraw/zinc/42/64/98/728426498.db2.gz ZXBPMLFYAPNLRO-UHFFFAOYSA-N 0 0 351.466 2.509 20 10 FFCDRN Cc1cc(C)cc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000107354553 728515701 /nfs/dbraw/zinc/51/57/01/728515701.db2.gz IOQDUGYIQNKRTP-ZDUSSCGKSA-N 0 0 362.451 2.872 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000115592741 728566468 /nfs/dbraw/zinc/56/64/68/728566468.db2.gz ZDOFEYUGHOCZCV-UHFFFAOYSA-N 0 0 367.402 2.587 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)Cc2cc(Cl)ccc2F)c1 ZINC000119830022 728601215 /nfs/dbraw/zinc/60/12/15/728601215.db2.gz JQWXCHSAWRVEQE-UHFFFAOYSA-N 0 0 359.806 2.813 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC000120259461 728608856 /nfs/dbraw/zinc/60/88/56/728608856.db2.gz AVPZDIRQQWBAJY-IBGZPJMESA-N 0 0 354.431 2.980 20 10 FFCDRN COc1ccc(N(C)CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000121868141 728640719 /nfs/dbraw/zinc/64/07/19/728640719.db2.gz KRFXOAWPOSWESF-DOTOQJQBSA-N 0 0 352.862 2.955 20 10 FFCDRN O=C(COc1ccccc1C(F)(F)F)NCCc1ccc(O)c(O)c1 ZINC000122480924 728647854 /nfs/dbraw/zinc/64/78/54/728647854.db2.gz QGAVFRHTZOVSIS-UHFFFAOYSA-N 0 0 355.312 2.854 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ncccc1O ZINC000124455002 728670661 /nfs/dbraw/zinc/67/06/61/728670661.db2.gz ZPLCXZNKIGONML-UHFFFAOYSA-N 0 0 351.200 2.918 20 10 FFCDRN O=C(NCCCOCC(F)(F)F)NCc1ccc(N2CC=CC2)cc1 ZINC000125822280 728688228 /nfs/dbraw/zinc/68/82/28/728688228.db2.gz HUIZTPWPDDQUBW-UHFFFAOYSA-N 0 0 357.376 2.831 20 10 FFCDRN COc1cc(Br)cc(CN(C)CC(=O)OC(C)(C)C)c1O ZINC000126915196 728704936 /nfs/dbraw/zinc/70/49/36/728704936.db2.gz BUQNFUQEMBHEGW-UHFFFAOYSA-N 0 0 360.248 2.937 20 10 FFCDRN CCNc1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000127560055 728706671 /nfs/dbraw/zinc/70/66/71/728706671.db2.gz LWXMEQZEFACDGD-ZDUSSCGKSA-N 0 0 360.483 2.903 20 10 FFCDRN O=c1c2ccccc2cnn1Cc1nc(-c2ccc(O)c(O)c2)cs1 ZINC000129520674 728711891 /nfs/dbraw/zinc/71/18/91/728711891.db2.gz QUXXXLJYFRWMEY-UHFFFAOYSA-N 0 0 351.387 2.980 20 10 FFCDRN COC(=O)CCc1csc(NC(=O)NCc2ccc(N(C)C)cc2)n1 ZINC000129746516 728712978 /nfs/dbraw/zinc/71/29/78/728712978.db2.gz PBXUZYHSPURCAG-UHFFFAOYSA-N 0 0 362.455 2.636 20 10 FFCDRN COc1cccc(CNC(=O)COc2ccccc2Br)c1O ZINC000131479101 728722348 /nfs/dbraw/zinc/72/23/48/728722348.db2.gz LEVLSBXQIXJVAD-UHFFFAOYSA-N 0 0 366.211 2.859 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@H](C)N2CCSCC2)cc1F ZINC000131994903 728723433 /nfs/dbraw/zinc/72/34/33/728723433.db2.gz DCZIYVPHCXKMPS-AWEZNQCLSA-N 0 0 353.507 2.725 20 10 FFCDRN COC(=O)c1cccc(CC(=O)NCCCSc2nccs2)c1 ZINC000134576255 728731141 /nfs/dbraw/zinc/73/11/41/728731141.db2.gz HBVNMTDZUWRZHZ-UHFFFAOYSA-N 0 0 350.465 2.771 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)CO)c1cc(Br)cc(Br)c1[O-] ZINC000134925792 728734204 /nfs/dbraw/zinc/73/42/04/728734204.db2.gz AUZZCHBPCBACHJ-NKWVEPMBSA-N 0 0 353.054 2.949 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]n1 ZINC000173026024 729038391 /nfs/dbraw/zinc/03/83/91/729038391.db2.gz IGIAHRFQZIABRU-LBPRGKRZSA-N 0 0 350.369 2.718 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1c(F)cccc1F ZINC000177762324 729145874 /nfs/dbraw/zinc/14/58/74/729145874.db2.gz OILDCWURQLOPOG-UHFFFAOYSA-N 0 0 357.407 2.658 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCCCSc2nccs2)ccc1F ZINC000177763459 729145963 /nfs/dbraw/zinc/14/59/63/729145963.db2.gz OFMXROMGQRPDNB-UHFFFAOYSA-N 0 0 353.444 2.828 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCc3cscn3)CC2)cc1 ZINC000178547368 729164310 /nfs/dbraw/zinc/16/43/10/729164310.db2.gz VNBMXJHWYSQLBP-UHFFFAOYSA-N 0 0 360.483 2.616 20 10 FFCDRN CNS(=O)(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)c(F)c1 ZINC000179457698 729186781 /nfs/dbraw/zinc/18/67/81/729186781.db2.gz FZOOEZFBLOHSNA-UHFFFAOYSA-N 0 0 363.458 2.946 20 10 FFCDRN Cc1ccc(C(=O)NCCC2CCN(CC(F)(F)F)CC2)c(O)c1O ZINC000179536408 729188159 /nfs/dbraw/zinc/18/81/59/729188159.db2.gz KERWYACJNXILOD-UHFFFAOYSA-N 0 0 360.376 2.800 20 10 FFCDRN O=C(NCCCCCCO)NCc1ccc(N2CCSCC2)cc1 ZINC000180566986 729218627 /nfs/dbraw/zinc/21/86/27/729218627.db2.gz SVKWOBXHZGHHEH-UHFFFAOYSA-N 0 0 351.516 2.592 20 10 FFCDRN COc1ccc(C(=O)NCc2ccc(O)c(O)c2)cc1Br ZINC000778919706 738421021 /nfs/dbraw/zinc/42/10/21/738421021.db2.gz KHPSKWJZJUYNAL-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN CCS(=O)(=O)CC(=O)N(Cc1ccccc1O)[C@H](C)c1ccccc1 ZINC000181581063 729252002 /nfs/dbraw/zinc/25/20/02/729252002.db2.gz GGYZUUUHIYIDJL-OAHLLOKOSA-N 0 0 361.463 2.917 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3nnc(-c4ccns4)o3)ccc21 ZINC000902834215 735997162 /nfs/dbraw/zinc/99/71/62/735997162.db2.gz MWHOULKBCRYZPR-UHFFFAOYSA-N 0 0 355.423 2.506 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000182688554 729284512 /nfs/dbraw/zinc/28/45/12/729284512.db2.gz SYNLMPKYRPCWBC-UHFFFAOYSA-N 0 0 357.378 2.857 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)nc1-c1cccs1 ZINC000186407405 729364489 /nfs/dbraw/zinc/36/44/89/729364489.db2.gz XHRRSNFDVWWZHH-LLVKDONJSA-N 0 0 357.435 2.921 20 10 FFCDRN COC(=O)Cc1cccc(C(=O)NCCCSc2nccs2)c1 ZINC000189478845 729399723 /nfs/dbraw/zinc/39/97/23/729399723.db2.gz SPNJUMRINBGKKR-UHFFFAOYSA-N 0 0 350.465 2.771 20 10 FFCDRN Nc1ccc(CCNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)cc1 ZINC000193336971 729475011 /nfs/dbraw/zinc/47/50/11/729475011.db2.gz FSGXLUZIKWBTMW-UHFFFAOYSA-N 0 0 358.385 2.950 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc([S@](C)=O)c(F)c1 ZINC000193957817 729495311 /nfs/dbraw/zinc/49/53/11/729495311.db2.gz DQVOLRDGKOYYGP-JUTIIYIPSA-N 0 0 366.414 2.727 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)CCc3cccs3)ccc21 ZINC000195362169 729536524 /nfs/dbraw/zinc/53/65/24/729536524.db2.gz SWVCZRYCIWKBOR-UHFFFAOYSA-N 0 0 350.509 2.793 20 10 FFCDRN CSc1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000856209731 730316119 /nfs/dbraw/zinc/31/61/19/730316119.db2.gz ZHGJPEJJCMZNSI-UHFFFAOYSA-N 0 0 357.479 2.695 20 10 FFCDRN O=C(C[C@@H]1CSCCS1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212475 730316136 /nfs/dbraw/zinc/31/61/36/730316136.db2.gz NFVDATNIVWSQMK-QGZVFWFLSA-N 0 0 366.552 2.503 20 10 FFCDRN CCc1csc(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000856213633 730316306 /nfs/dbraw/zinc/31/63/06/730316306.db2.gz REZFPSIPQODJLI-UHFFFAOYSA-N 0 0 359.495 2.526 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[C@H](CO)C2)cc1F ZINC000856859701 730362674 /nfs/dbraw/zinc/36/26/74/730362674.db2.gz SGNPVYDORCGCDX-ZBFHGGJFSA-N 0 0 351.466 2.832 20 10 FFCDRN CCn1ncc(Cl)c1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000857098390 730378831 /nfs/dbraw/zinc/37/88/31/730378831.db2.gz GSJTUOSTYZJBJH-UHFFFAOYSA-N 0 0 362.861 2.964 20 10 FFCDRN COCc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000857224955 730386079 /nfs/dbraw/zinc/38/60/79/730386079.db2.gz BEPDUUZCILLQJP-UHFFFAOYSA-N 0 0 366.395 2.864 20 10 FFCDRN CN(C)c1cc(F)c(CNCc2nn(C)cc2Br)cc1F ZINC000858172821 730418684 /nfs/dbraw/zinc/41/86/84/730418684.db2.gz HTRGYSDEMNQVJC-UHFFFAOYSA-N 0 0 359.218 2.817 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](n2cccn2)C(F)(F)F)c1 ZINC000858449174 730426053 /nfs/dbraw/zinc/42/60/53/730426053.db2.gz JCKXIEFYMXCUBW-YGRLFVJLSA-N 0 0 357.332 2.830 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC000858678333 730431423 /nfs/dbraw/zinc/43/14/23/730431423.db2.gz VRFLFCSTBXTUTE-CQSZACIVSA-N 0 0 355.364 2.552 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000858908977 730436318 /nfs/dbraw/zinc/43/63/18/730436318.db2.gz HGNQMKVWRSSOOW-OCCSQVGLSA-N 0 0 355.232 2.521 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Cn2cc(C)c(C(F)(F)F)n2)c1 ZINC000860242433 730493267 /nfs/dbraw/zinc/49/32/67/730493267.db2.gz QZEVDZDNRXRYET-JTQLQIEISA-N 0 0 357.332 2.802 20 10 FFCDRN COc1cc(NC(=O)NCCCSc2nccs2)cnc1OC ZINC000861416604 730610278 /nfs/dbraw/zinc/61/02/78/730610278.db2.gz UHZWGGYCURZUFE-UHFFFAOYSA-N 0 0 354.457 2.859 20 10 FFCDRN CSCCc1ccc(NC(=O)C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862025545 730662322 /nfs/dbraw/zinc/66/23/22/730662322.db2.gz OAWGNMVFUPSKEX-UHFFFAOYSA-N 0 0 358.463 2.861 20 10 FFCDRN CS(=O)(=O)c1ccc([C@@H]2CN(Cc3cccc(F)c3O)CCO2)cc1 ZINC000862439258 730702519 /nfs/dbraw/zinc/70/25/19/730702519.db2.gz RISIDBBOEKKYJF-KRWDZBQOSA-N 0 0 365.426 2.508 20 10 FFCDRN Cc1cccc(CN2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)c1O ZINC000862437960 730702589 /nfs/dbraw/zinc/70/25/89/730702589.db2.gz JVBZHKVYCPGRKC-SFHVURJKSA-N 0 0 361.463 2.678 20 10 FFCDRN CC1(C)CCC(C)(C)N(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000862587405 730710256 /nfs/dbraw/zinc/71/02/56/730710256.db2.gz PRLRZSZPNVIBFR-UHFFFAOYSA-N 0 0 354.472 2.805 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C)c1 ZINC000862757746 730723736 /nfs/dbraw/zinc/72/37/36/730723736.db2.gz DBPQUXVWAAKRJX-GFCCVEGCSA-N 0 0 358.385 2.865 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2CSCN2C(=O)CC(C)(C)C)c1 ZINC000862759271 730724091 /nfs/dbraw/zinc/72/40/91/730724091.db2.gz ZWLCBZVHOHIUFH-AWEZNQCLSA-N 0 0 350.484 2.655 20 10 FFCDRN CCOc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)c(F)cc1OC ZINC000863181701 730754227 /nfs/dbraw/zinc/75/42/27/730754227.db2.gz QCIBETCDBSCUAD-DHDCSXOGSA-N 0 0 366.414 2.536 20 10 FFCDRN C[C@]1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCCCO1 ZINC000925260170 738493284 /nfs/dbraw/zinc/49/32/84/738493284.db2.gz ZRJQHLJUVZRUOG-QGZVFWFLSA-N 0 0 352.818 2.769 20 10 FFCDRN COc1cnc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(F)c1 ZINC000864919500 730891799 /nfs/dbraw/zinc/89/17/99/730891799.db2.gz XGFPBPBKGGNETN-UHFFFAOYSA-N 0 0 361.442 2.713 20 10 FFCDRN Cc1nocc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000865118117 730914255 /nfs/dbraw/zinc/91/42/55/730914255.db2.gz UQCZPUSTBVBCOT-UHFFFAOYSA-N 0 0 351.353 2.983 20 10 FFCDRN O=C1/C(=C/c2cn(C[C@H]3CCCO3)nn2)SC(=S)N1c1ccccc1 ZINC000865215328 730924769 /nfs/dbraw/zinc/92/47/69/730924769.db2.gz OHBCDYBYRNJDBS-WJQTUHTMSA-N 0 0 372.475 2.863 20 10 FFCDRN COc1ccc(N2CCN(c3nc(C(C)(C)OC)ns3)CC2)cc1F ZINC000865600626 730975213 /nfs/dbraw/zinc/97/52/13/730975213.db2.gz ARXGAQCQQNTMHA-UHFFFAOYSA-N 0 0 366.462 2.894 20 10 FFCDRN CCOC(=O)c1cc(C[NH2+]Cc2cc(C)cc(Br)c2[O-])on1 ZINC000865763775 730994679 /nfs/dbraw/zinc/99/46/79/730994679.db2.gz NGHPWBWVECGVFM-UHFFFAOYSA-N 0 0 369.215 2.918 20 10 FFCDRN COC[C@H](C)OC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000866542086 731072471 /nfs/dbraw/zinc/07/24/71/731072471.db2.gz DYGNOUVTOQYUFR-MJBXVCDLSA-N 0 0 354.422 2.700 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)CCC(C)(F)F)CC2)cc1 ZINC000866710723 731090232 /nfs/dbraw/zinc/09/02/32/731090232.db2.gz ULCLBXQHKBSDRV-UHFFFAOYSA-N 0 0 362.442 2.629 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cccn(C2CC2)c1=O ZINC000867831369 731231688 /nfs/dbraw/zinc/23/16/88/731231688.db2.gz XMBUUUAFCHCRDI-UHFFFAOYSA-N 0 0 363.211 2.581 20 10 FFCDRN Cc1ncc([C@@H](C)NC(=O)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000868130085 731261858 /nfs/dbraw/zinc/26/18/58/731261858.db2.gz INJSURPZQMCPOL-CYBMUJFWSA-N 0 0 360.483 2.849 20 10 FFCDRN C[C@@H](NC(=O)NCc1cccnc1OCC(F)F)c1ccccc1O ZINC000868460747 731294831 /nfs/dbraw/zinc/29/48/31/731294831.db2.gz CBNSXMRLSIWOKT-LLVKDONJSA-N 0 0 351.353 2.992 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)CC(F)(F)C(F)(F)F ZINC000868965513 731349526 /nfs/dbraw/zinc/34/95/26/731349526.db2.gz CHUKPOYAXAXRGM-UHFFFAOYSA-N 0 0 369.286 2.872 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCO[C@H](C(F)F)CC1 ZINC000875374133 732149287 /nfs/dbraw/zinc/14/92/87/732149287.db2.gz DTXXHSDOZCVBMI-JTQLQIEISA-N 0 0 351.444 2.691 20 10 FFCDRN CC[C@@H](NC(=O)c1ccc(C)c(O)c1O)[C@H](O)c1c(F)cccc1F ZINC000780983500 738592168 /nfs/dbraw/zinc/59/21/68/738592168.db2.gz HMIUDUBWGYNSKQ-DYVFJYSZSA-N 0 0 351.349 2.926 20 10 FFCDRN Nc1ccc(CC(=O)N[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)cc1 ZINC000877000165 732309555 /nfs/dbraw/zinc/30/95/55/732309555.db2.gz LLMHRFUBHJUKQT-RHSMWYFYSA-N 0 0 350.340 2.862 20 10 FFCDRN CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)c2ccc(N)cc2)cc1 ZINC000877078857 732322073 /nfs/dbraw/zinc/32/20/73/732322073.db2.gz HRYLNTDPOBUXDQ-UHFFFAOYSA-N 0 0 361.467 2.576 20 10 FFCDRN O=C1N[C@H](c2cc(O)cc(Br)c2O)Nc2cc(F)c(F)cc21 ZINC000877859161 732445781 /nfs/dbraw/zinc/44/57/81/732445781.db2.gz QKCYORFMXDHJPT-CYBMUJFWSA-N 0 0 371.137 2.993 20 10 FFCDRN O=C1N[C@@H](c2c(O)cccc2Br)N2CCc3ccccc3[C@H]12 ZINC000877857020 732445829 /nfs/dbraw/zinc/44/58/29/732445829.db2.gz KJCHIQHYCXBKBB-HZPDHXFCSA-N 0 0 359.223 2.883 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCC(S(C)(=O)=O)CC1 ZINC000878009331 732466781 /nfs/dbraw/zinc/46/67/81/732466781.db2.gz WXMFEDXBIAZKTC-UHFFFAOYSA-N 0 0 366.527 2.705 20 10 FFCDRN C[C@H](NC(=O)C1CCC(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000879539349 732718427 /nfs/dbraw/zinc/71/84/27/732718427.db2.gz SPGZCKDRJFSQHV-KTAKPFMOSA-N 0 0 352.500 2.533 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)c1 ZINC000781631674 738642991 /nfs/dbraw/zinc/64/29/91/738642991.db2.gz BKXMVPHERMPDLS-ZKYQVNSYSA-N 0 0 353.260 2.562 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCO[C@@]3(CCOC3)C2)c1 ZINC000781635597 738643601 /nfs/dbraw/zinc/64/36/01/738643601.db2.gz KIXAYROAOTZHAW-BBRMVZONSA-N 0 0 356.260 2.891 20 10 FFCDRN O=C(NOCc1ccc(F)cc1Br)c1cccc(O)c1O ZINC000781885052 738667548 /nfs/dbraw/zinc/66/75/48/738667548.db2.gz XDZCIHUEVPEVDQ-UHFFFAOYSA-N 0 0 356.147 2.861 20 10 FFCDRN Cc1cccc(NC(=O)CSCC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000881429234 733053464 /nfs/dbraw/zinc/05/34/64/733053464.db2.gz VKNONRYCKQIEDW-UHFFFAOYSA-N 0 0 356.447 2.915 20 10 FFCDRN O=C1CCCCN1CCC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000882988129 733318796 /nfs/dbraw/zinc/31/87/96/733318796.db2.gz BRCKVMUJHVPQIF-UHFFFAOYSA-N 0 0 359.239 2.786 20 10 FFCDRN CS(=O)(=O)c1cccc(NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000883141527 733341269 /nfs/dbraw/zinc/34/12/69/733341269.db2.gz DBGCQGJCAQOCAV-UHFFFAOYSA-N 0 0 360.479 2.663 20 10 FFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC000883187387 733348065 /nfs/dbraw/zinc/34/80/65/733348065.db2.gz MXQPCEOMSJAINZ-UHFFFAOYSA-N 0 0 351.340 2.717 20 10 FFCDRN O=C(CSc1ccc(F)c(F)c1)OCC(=O)c1ccc(O)c(O)c1 ZINC000782539392 738732326 /nfs/dbraw/zinc/73/23/26/738732326.db2.gz BKZVXWASSBNZFK-UHFFFAOYSA-N 0 0 354.330 2.894 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)c1 ZINC000886300369 733771529 /nfs/dbraw/zinc/77/15/29/733771529.db2.gz GPPVOIPSDXZWKK-INIZCTEOSA-N 0 0 350.415 2.756 20 10 FFCDRN C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]Cc3cccc(Br)c3[O-])O2)CO1 ZINC000886333919 733775110 /nfs/dbraw/zinc/77/51/10/733775110.db2.gz OLKHMFIQHWNENY-PVXIVEMSSA-N 0 0 356.260 2.971 20 10 FFCDRN COC[C@@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000886357234 733776854 /nfs/dbraw/zinc/77/68/54/733776854.db2.gz CTKIKKRITIFLJK-IUODEOHRSA-N 0 0 358.276 2.994 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCS(=O)(=O)[C@@H](C)C1 ZINC000887187907 733891219 /nfs/dbraw/zinc/89/12/19/733891219.db2.gz OAZMOFIVGRNGPY-UONOGXRCSA-N 0 0 366.508 2.851 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H]2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000887194106 733893591 /nfs/dbraw/zinc/89/35/91/733893591.db2.gz YUJSRIKSWALCMY-RDJZCZTQSA-N 0 0 360.479 2.790 20 10 FFCDRN CC(=O)N1CCC[C@H]1c1nc(-c2cn(-c3ccc(N)cc3)nn2)cs1 ZINC000887538160 733947820 /nfs/dbraw/zinc/94/78/20/733947820.db2.gz AMBGEWYLTVIABX-INIZCTEOSA-N 0 0 354.439 2.656 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@H]1C[C@H]1CCCO1 ZINC000887854027 733984734 /nfs/dbraw/zinc/98/47/34/733984734.db2.gz TWEAOFQVSOPFJT-CHWSQXEVSA-N 0 0 363.435 2.723 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)NCCCSc3nccs3)O2)CO1 ZINC000888565550 734072507 /nfs/dbraw/zinc/07/25/07/734072507.db2.gz NJJVZEPXXJTHEU-WWGRRREGSA-N 0 0 371.528 2.651 20 10 FFCDRN COc1cccc([C@H](C)OC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000783151005 738784945 /nfs/dbraw/zinc/78/49/45/738784945.db2.gz HYHGGOVVNXBNQV-NSHDSACASA-N 0 0 365.407 2.690 20 10 FFCDRN CN1C[C@@H](CC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1=O ZINC000723536962 734385411 /nfs/dbraw/zinc/38/54/11/734385411.db2.gz PAPGRXSYVANMJQ-VIFPVBQESA-N 0 0 361.667 2.766 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)CSCC(F)(F)F)[NH+](C)C)cc1 ZINC000891249362 734404593 /nfs/dbraw/zinc/40/45/93/734404593.db2.gz RPYBSQUBIXOQJJ-AWEZNQCLSA-N 0 0 363.449 2.767 20 10 FFCDRN CN(CCCNC(=S)Nc1ccc(N)c([N+](=O)[O-])c1)c1ccccc1 ZINC000726436474 734424185 /nfs/dbraw/zinc/42/41/85/734424185.db2.gz VEGKPKWAFVMJKB-UHFFFAOYSA-N 0 0 359.455 2.990 20 10 FFCDRN COc1ccc(N2CCC(NC(=S)NCCCSC)CC2)cc1 ZINC000726493399 734431143 /nfs/dbraw/zinc/43/11/43/734431143.db2.gz LOIURPGCVZXYPU-UHFFFAOYSA-N 0 0 353.557 2.881 20 10 FFCDRN COc1ccc(N2CCN(CCNc3cc(Cl)nc(C)n3)CC2)cc1 ZINC000726967588 734456404 /nfs/dbraw/zinc/45/64/04/734456404.db2.gz XUTQSTXSVJRPSF-UHFFFAOYSA-N 0 0 361.877 2.681 20 10 FFCDRN Cc1c(NNC(=S)Nc2ccc3c(c2)OCCO3)cccc1[N+](=O)[O-] ZINC000727981169 734509390 /nfs/dbraw/zinc/50/93/90/734509390.db2.gz DUOVRFLLEMFUJD-UHFFFAOYSA-N 0 0 360.395 2.988 20 10 FFCDRN CCCCCS(=O)(=O)CC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000727986236 734510521 /nfs/dbraw/zinc/51/05/21/734510521.db2.gz PGDMDHWMNYMVMD-UHFFFAOYSA-N 0 0 366.527 2.849 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)N(C)CC(F)F)cc2F)C[C@H](C)O1 ZINC000728949570 734551434 /nfs/dbraw/zinc/55/14/34/734551434.db2.gz SRDRZNDOQZWRES-RYUDHWBXSA-N 0 0 359.392 2.846 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@H](NC(C)=O)c2cccs2)c1 ZINC000728978927 734552477 /nfs/dbraw/zinc/55/24/77/734552477.db2.gz ACSCIUJJTRONFM-ABAIWWIYSA-N 0 0 362.451 2.907 20 10 FFCDRN COc1ccc(CNc2ccc(CS(C)(=O)=O)c(F)c2)c(O)c1OC ZINC000892396774 734554176 /nfs/dbraw/zinc/55/41/76/734554176.db2.gz QKJGPXKVSPDEGR-UHFFFAOYSA-N 0 0 369.414 2.705 20 10 FFCDRN Cn1cc([C@H](NCc2ccc(N3CCOCC3)cc2)C(F)(F)F)cn1 ZINC000783670798 738825892 /nfs/dbraw/zinc/82/58/92/738825892.db2.gz SINOXSCLJWUZIO-INIZCTEOSA-N 0 0 354.376 2.650 20 10 FFCDRN CCCCc1ccc([C@H](NC=C2C(=O)NC(=S)NC2=O)C(C)C)cc1 ZINC000730985866 734660630 /nfs/dbraw/zinc/66/06/30/734660630.db2.gz ZCHYJCLOEDPCMQ-MRXNPFEDSA-N 0 0 359.495 2.731 20 10 FFCDRN COc1ccc(CNc2cc(CSCCO)ccn2)c(O)c1OC ZINC000893267697 734677894 /nfs/dbraw/zinc/67/78/94/734677894.db2.gz WADATEUCEXBAEN-UHFFFAOYSA-N 0 0 350.440 2.642 20 10 FFCDRN COc1cc(NC(=O)COC(=O)C2=CC(=O)CS2)c(OC)cc1Cl ZINC000731910177 734704890 /nfs/dbraw/zinc/70/48/90/734704890.db2.gz NHEIGAQSTGTJBH-UHFFFAOYSA-N 0 0 371.798 2.920 20 10 FFCDRN C[C@@H](NC(=O)C1=CC(=O)CS1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000732283337 734730480 /nfs/dbraw/zinc/73/04/80/734730480.db2.gz HJWWYTYTEQABRO-GFCCVEGCSA-N 0 0 359.451 2.811 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCN2CCSCC2)cc1F ZINC000732890858 734773498 /nfs/dbraw/zinc/77/34/98/734773498.db2.gz QJNXBVHUDPGXAC-UHFFFAOYSA-N 0 0 368.522 2.520 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C/c2cc(C(F)(F)F)ccc2F)SC1=S ZINC000733370166 734814493 /nfs/dbraw/zinc/81/44/93/734814493.db2.gz XILAJGQBBKOFGQ-WTKPLQERSA-N 0 0 364.345 2.531 20 10 FFCDRN CCOC(=O)[C@@H](CSC)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000928292533 738853681 /nfs/dbraw/zinc/85/36/81/738853681.db2.gz XDKZAXZUCGBWIW-OAHLLOKOSA-N 0 0 361.467 2.514 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000733876654 734855354 /nfs/dbraw/zinc/85/53/54/734855354.db2.gz BHPBOFBLTXVRLA-MRXNPFEDSA-N 0 0 360.479 2.710 20 10 FFCDRN COc1ccc(COCC(=O)NCCCSc2nccs2)cc1 ZINC000733972943 734864935 /nfs/dbraw/zinc/86/49/35/734864935.db2.gz BGRFYFPTIICJIK-UHFFFAOYSA-N 0 0 352.481 2.967 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 ZINC000734016944 734867594 /nfs/dbraw/zinc/86/75/94/734867594.db2.gz PQJTYSRAQKCVOG-JTQLQIEISA-N 0 0 358.419 2.764 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc(OC)c(OC(F)F)c2)c1 ZINC000734015947 734867842 /nfs/dbraw/zinc/86/78/42/734867842.db2.gz ATLSTNKDZKWVGI-UHFFFAOYSA-N 0 0 353.321 2.941 20 10 FFCDRN CCc1ccc(CCOC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1 ZINC000734579532 734904142 /nfs/dbraw/zinc/90/41/42/734904142.db2.gz WDOXCHQKSUJIQY-UHFFFAOYSA-N 0 0 363.435 2.726 20 10 FFCDRN C[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CO1 ZINC000784123000 738863214 /nfs/dbraw/zinc/86/32/14/738863214.db2.gz RUQBNWCORCKBKM-RDBSUJKOSA-N 0 0 354.397 2.798 20 10 FFCDRN COc1ccc(N(C)CCOc2cccc(S(C)(=O)=O)c2)cc1OC ZINC000738309306 735027662 /nfs/dbraw/zinc/02/76/62/735027662.db2.gz MFUBSGUQSGBDCP-UHFFFAOYSA-N 0 0 365.451 2.623 20 10 FFCDRN CCOc1ccc(N(C)CCCN2C(=O)CS/C2=C/C(=O)OC)cc1 ZINC000739923039 735062097 /nfs/dbraw/zinc/06/20/97/735062097.db2.gz CMRKVDHWOLNXKP-SFQUDFHCSA-N 0 0 364.467 2.501 20 10 FFCDRN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(F)c(N(C)C)cc1F ZINC000895867372 735067339 /nfs/dbraw/zinc/06/73/39/735067339.db2.gz WQTOVHSEVWHSHZ-XJKSGUPXSA-N 0 0 356.413 2.621 20 10 FFCDRN O=C(COC(=O)c1ccc(Br)c(O)c1)c1ccc(O)c(O)c1 ZINC000784324479 738879258 /nfs/dbraw/zinc/87/92/58/738879258.db2.gz PYBKSRDFTYRMQZ-UHFFFAOYSA-N 0 0 367.151 2.606 20 10 FFCDRN COc1ccc(C(F)(F)C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000784365097 738883566 /nfs/dbraw/zinc/88/35/66/738883566.db2.gz DAMJNGWLSVUHHD-UHFFFAOYSA-N 0 0 352.289 2.624 20 10 FFCDRN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000896377479 735148747 /nfs/dbraw/zinc/14/87/47/735148747.db2.gz LDXVRLRRVKYOBN-PWSUYJOCSA-N 0 0 362.451 2.689 20 10 FFCDRN NC(=O)c1ccc(NC(=S)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000741873206 735167799 /nfs/dbraw/zinc/16/77/99/735167799.db2.gz CYXHEVCAWNZBKQ-UHFFFAOYSA-N 0 0 355.463 2.857 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCCN1CC(F)(F)F ZINC000896663010 735178915 /nfs/dbraw/zinc/17/89/15/735178915.db2.gz FAONTRJMMUSXGE-LLVKDONJSA-N 0 0 365.783 2.872 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC(O[C@@H]2CCOC2)CC1 ZINC000896838677 735185358 /nfs/dbraw/zinc/18/53/58/735185358.db2.gz SAAQQXSLMUGUEX-CYBMUJFWSA-N 0 0 363.435 2.723 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3sc(C)nc3C)CC2)cc1F ZINC000896899244 735187270 /nfs/dbraw/zinc/18/72/70/735187270.db2.gz QNHJSNOVXHSPMF-UHFFFAOYSA-N 0 0 363.458 2.799 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@]12CCCO2 ZINC000897390876 735227793 /nfs/dbraw/zinc/22/77/93/735227793.db2.gz XBUOQCDYARPIIG-JFIYKMOQSA-N 0 0 363.435 2.769 20 10 FFCDRN CC(C)OC[C@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897422025 735232671 /nfs/dbraw/zinc/23/26/71/735232671.db2.gz WJYZWWITWKVWKV-GFCCVEGCSA-N 0 0 351.424 2.579 20 10 FFCDRN C[C@H](CO)SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000742460194 735239208 /nfs/dbraw/zinc/23/92/08/735239208.db2.gz ZRXSBIOVOCWMOY-LLVKDONJSA-N 0 0 355.415 2.515 20 10 FFCDRN CC1(CNC(=O)NCc2c(O)cccc2F)CCC2(CC1)OCCO2 ZINC000897625667 735256610 /nfs/dbraw/zinc/25/66/10/735256610.db2.gz MKKZKFXEEYPBKK-UHFFFAOYSA-N 0 0 352.406 2.654 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2c[nH]c(C(C)C)n2)cc1 ZINC000747246835 735548911 /nfs/dbraw/zinc/54/89/11/735548911.db2.gz DFHSUGMVERKHDP-UHFFFAOYSA-N 0 0 350.488 2.858 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)c3ccccc3C)CC2)cc1 ZINC000747263111 735551560 /nfs/dbraw/zinc/55/15/60/735551560.db2.gz RRIBGRGSIAWQGU-UHFFFAOYSA-N 0 0 360.479 2.951 20 10 FFCDRN CC(C)(C)OC(=O)[C@@]1(C(=O)NCCCSc2nccs2)CCCO1 ZINC000900683771 735679826 /nfs/dbraw/zinc/67/98/26/735679826.db2.gz RGKVTOAJSGATQN-INIZCTEOSA-N 0 0 372.512 2.632 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2C)cc1Cl ZINC000749772160 735746913 /nfs/dbraw/zinc/74/69/13/735746913.db2.gz FEWJBEXANIKOAI-UHFFFAOYSA-N 0 0 355.799 2.941 20 10 FFCDRN C[C@@H](CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 ZINC000749967590 735763762 /nfs/dbraw/zinc/76/37/62/735763762.db2.gz WFBKENDDTKTCLO-ZDUSSCGKSA-N 0 0 362.451 2.687 20 10 FFCDRN CCO[C@H](C)c1noc(CN(C)Cc2cc(F)cc(C(C)=O)c2O)n1 ZINC000750825405 735818252 /nfs/dbraw/zinc/81/82/52/735818252.db2.gz BFZFOFQSTUZDPZ-LLVKDONJSA-N 0 0 351.378 2.846 20 10 FFCDRN CCCN(CCC)S(=O)(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000751120646 735847027 /nfs/dbraw/zinc/84/70/27/735847027.db2.gz KEBXHOKKJGAMKC-KRWDZBQOSA-N 0 0 370.515 2.740 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(C)c2)c1 ZINC000751326401 735864267 /nfs/dbraw/zinc/86/42/67/735864267.db2.gz QKLBMLJJDMSLKS-LBPRGKRZSA-N 0 0 351.424 2.757 20 10 FFCDRN CCOC(=O)Cn1cccc(NCc2c(O)cc(C)cc2Cl)c1=O ZINC000902228830 735920940 /nfs/dbraw/zinc/92/09/40/735920940.db2.gz JQCNBXWTEBCDPV-UHFFFAOYSA-N 0 0 350.802 2.691 20 10 FFCDRN CC(C)[C@@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N(C)C ZINC000751932416 735937005 /nfs/dbraw/zinc/93/70/05/735937005.db2.gz ZQQJLCOTLFFXAV-MRXNPFEDSA-N 0 0 361.467 2.586 20 10 FFCDRN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270270 739226157 /nfs/dbraw/zinc/22/61/57/739226157.db2.gz QTAHOWZKDSDAGT-XCBNKYQSSA-N 0 0 365.065 2.872 20 10 FFCDRN CO[C@@]1(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2[O-])CCS(=O)(=O)C1 ZINC000903361707 736080203 /nfs/dbraw/zinc/08/02/03/736080203.db2.gz AJYUVYDNTNIPNP-YMTOWFKASA-N 0 0 368.282 2.553 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H](CO)C[C@@H](O)c1ccccc1 ZINC000754079901 736122867 /nfs/dbraw/zinc/12/28/67/736122867.db2.gz LIMXXSYSPQESFS-GDBMZVCRSA-N 0 0 366.255 2.729 20 10 FFCDRN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Cl)cc(C)c2O)cn1 ZINC000754155390 736131322 /nfs/dbraw/zinc/13/13/22/736131322.db2.gz WBWWPZDLGVGAOW-UPCLLVRISA-N 0 0 367.902 2.876 20 10 FFCDRN CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)c(F)cc2[O-])CC1 ZINC000756361908 736325422 /nfs/dbraw/zinc/32/54/22/736325422.db2.gz LMERRCZYNVVSHD-VIFPVBQESA-N 0 0 359.239 2.955 20 10 FFCDRN CNC(=O)COc1cccc(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756434373 736330731 /nfs/dbraw/zinc/33/07/31/736330731.db2.gz MFHKPGBYZCEMLJ-LLVKDONJSA-N 0 0 350.365 2.646 20 10 FFCDRN C[C@@H]([NH2+]CCS(C)(=O)=O)c1cc(Br)cc(Cl)c1[O-] ZINC000756503867 736336920 /nfs/dbraw/zinc/33/69/20/736336920.db2.gz NQSFWLGACASICZ-SSDOTTSWSA-N 0 0 356.669 2.503 20 10 FFCDRN C[C@@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000756563239 736343402 /nfs/dbraw/zinc/34/34/02/736343402.db2.gz MKYCPEDGMGJEJP-MNOVXSKESA-N 0 0 362.239 2.998 20 10 FFCDRN C[C@@H]([NH2+]CCN1CCSCC1)c1cc(Br)c(F)cc1[O-] ZINC000756576126 736344688 /nfs/dbraw/zinc/34/46/88/736344688.db2.gz JRYXVHYPUJUPRG-SNVBAGLBSA-N 0 0 363.296 2.993 20 10 FFCDRN COC[C@](C)(O)C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756578932 736344741 /nfs/dbraw/zinc/34/47/41/736344741.db2.gz YORYVNGCTKQBNN-ISVAXAHUSA-N 0 0 352.656 2.856 20 10 FFCDRN COC[C@H](CCO)[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000756595074 736345785 /nfs/dbraw/zinc/34/57/85/736345785.db2.gz SSNZBKQITJYIGZ-WPRPVWTQSA-N 0 0 352.656 2.856 20 10 FFCDRN COc1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)ccc1O ZINC000756778377 736361207 /nfs/dbraw/zinc/36/12/07/736361207.db2.gz VNJKASYUXABTQA-UHFFFAOYSA-N 0 0 358.463 2.884 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN(Cc2cccc(Cl)c2)C(=O)C1 ZINC000759098692 736546895 /nfs/dbraw/zinc/54/68/95/736546895.db2.gz CALWWCKTCPQUOF-UHFFFAOYSA-N 0 0 350.827 2.592 20 10 FFCDRN CCCC1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCC1 ZINC000759148954 736550841 /nfs/dbraw/zinc/55/08/41/736550841.db2.gz IUQLGFIOOQKPIQ-UHFFFAOYSA-N 0 0 364.511 2.508 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1CCCC(=O)N1C ZINC000906993771 736569915 /nfs/dbraw/zinc/56/99/15/736569915.db2.gz NAPNGYQIPZLILE-CYBMUJFWSA-N 0 0 369.259 2.514 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H](CO)c1cccc(F)c1 ZINC000759602670 736580058 /nfs/dbraw/zinc/58/00/58/736580058.db2.gz XPARQZGEAHEERZ-ZDUSSCGKSA-N 0 0 355.460 2.797 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)NCCCSc2nccs2)[C@@]12CCCO2 ZINC000760127899 736616879 /nfs/dbraw/zinc/61/68/79/736616879.db2.gz GACZIRXIGFVOHT-IOASZLSFSA-N 0 0 371.528 2.651 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CC[C@H]2CCCO2)cc1 ZINC000760539305 736648471 /nfs/dbraw/zinc/64/84/71/736648471.db2.gz BLYVLMQSNSJBIA-GOSISDBHSA-N 0 0 352.500 2.616 20 10 FFCDRN CC1CCN(c2ccc(CN3C(=O)[C@H]4CSCCN4C3=O)cc2)CC1 ZINC000761282466 736717203 /nfs/dbraw/zinc/71/72/03/736717203.db2.gz QSGXPFUXBIXAOO-QGZVFWFLSA-N 0 0 359.495 2.803 20 10 FFCDRN CC(C)[NH+]1CCN(CCC(=O)NCc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000908212115 736740862 /nfs/dbraw/zinc/74/08/62/736740862.db2.gz NRXWYLAXQSWINM-UHFFFAOYSA-N 0 0 374.312 2.731 20 10 FFCDRN O=C(N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1)C1SCCS1 ZINC000761983022 736779228 /nfs/dbraw/zinc/77/92/28/736779228.db2.gz PXYNONXVRHLHJP-CYBMUJFWSA-N 0 0 372.943 2.932 20 10 FFCDRN Cc1cc(C(=O)CN2CC[S@@](=O)C[C@H](C)C2)c(C)n1-c1ccccc1 ZINC000763878847 736975800 /nfs/dbraw/zinc/97/58/00/736975800.db2.gz PFZBBURJXIJZGI-SGANQWHYSA-N 0 0 358.507 2.977 20 10 FFCDRN CO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)C1(C)C ZINC000764788774 737050116 /nfs/dbraw/zinc/05/01/16/737050116.db2.gz BUFNQUXCCPTRFA-VXGBXAGGSA-N 0 0 357.248 2.767 20 10 FFCDRN C[C@@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1CCCOC1 ZINC000764804445 737051442 /nfs/dbraw/zinc/05/14/42/737051442.db2.gz IECYKAFNQOPTCZ-PWSUYJOCSA-N 0 0 357.248 2.769 20 10 FFCDRN Cc1cc(NC(=O)NCc2cccc(Br)c2O)nnc1C ZINC000765293547 737105602 /nfs/dbraw/zinc/10/56/02/737105602.db2.gz LAQKSWCSQQSLDU-UHFFFAOYSA-N 0 0 351.204 2.883 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1n[nH]c(=O)c2ccccc21 ZINC000765753115 737154270 /nfs/dbraw/zinc/15/42/70/737154270.db2.gz NMKHZSAPOFCSFE-UHFFFAOYSA-N 0 0 374.194 2.734 20 10 FFCDRN Cc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2O)c1 ZINC000765904398 737171642 /nfs/dbraw/zinc/17/16/42/737171642.db2.gz SXMCOFVNDQEOQD-UHFFFAOYSA-N 0 0 363.211 2.718 20 10 FFCDRN CC(C)Cn1cc(C(=O)NCc2cc(Br)ccc2O)cn1 ZINC000804739286 740901875 /nfs/dbraw/zinc/90/18/75/740901875.db2.gz DUBQQXABOWGTMS-UHFFFAOYSA-N 0 0 352.232 2.937 20 10 FFCDRN Cc1cnc(N)c(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC000766775319 737260723 /nfs/dbraw/zinc/26/07/23/737260723.db2.gz KHALSMMCJSNKBP-UHFFFAOYSA-N 0 0 362.499 2.638 20 10 FFCDRN CSc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)ccn1 ZINC000767952947 737385700 /nfs/dbraw/zinc/38/57/00/737385700.db2.gz IHPXPFHLGPYOTD-UHFFFAOYSA-N 0 0 358.467 2.962 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCCCCCNC(=O)CC1 ZINC000913656127 737427236 /nfs/dbraw/zinc/42/72/36/737427236.db2.gz LJQGYKBCJVYGGQ-UHFFFAOYSA-N 0 0 362.451 2.835 20 10 FFCDRN O=S(=O)(CC1(F)CCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000914137503 737513284 /nfs/dbraw/zinc/51/32/84/737513284.db2.gz CWGOAYWYQBOXNO-OAHLLOKOSA-N 0 0 357.447 2.595 20 10 FFCDRN O=S1(=O)CCN(Cc2cc(Br)ccc2O)[C@@H]2CCCC[C@@H]21 ZINC000769411788 737525634 /nfs/dbraw/zinc/52/56/34/737525634.db2.gz KYKVNUVDSKRPBB-HIFRSBDPSA-N 0 0 374.300 2.696 20 10 FFCDRN C[C@@H]1[C@H](C)[S@@](=O)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769464991 737532374 /nfs/dbraw/zinc/53/23/74/737532374.db2.gz BXFOKHYBVWJCII-XESHVACXSA-N 0 0 365.499 2.926 20 10 FFCDRN CC(C)(/C=C/Cl)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000914242335 737537149 /nfs/dbraw/zinc/53/71/49/737537149.db2.gz HLMMFUFXMCOSER-AATRIKPKSA-N 0 0 355.841 2.993 20 10 FFCDRN NC(=O)c1ncc(Br)cc1NCCCSc1nccs1 ZINC000770118734 737598395 /nfs/dbraw/zinc/59/83/95/737598395.db2.gz UXOHANJIHUDRTR-UHFFFAOYSA-N 0 0 373.301 2.994 20 10 FFCDRN CCN(C)C(=O)CSc1ncc(-c2ccc3c(c2)OCCO3)n1CC ZINC000915119905 737608804 /nfs/dbraw/zinc/60/88/04/737608804.db2.gz JYURMWYYJQTHTC-UHFFFAOYSA-N 0 0 361.467 2.912 20 10 FFCDRN C[C@H]1CN(C(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)CCO1 ZINC000915217196 737615259 /nfs/dbraw/zinc/61/52/59/737615259.db2.gz NNOBBJBRIYURCJ-LBPRGKRZSA-N 0 0 358.360 2.585 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cnn(-c2ccc(Cl)cc2)c1 ZINC000915988292 737668773 /nfs/dbraw/zinc/66/87/73/737668773.db2.gz TXLOQIFJLILVHS-OQLLNIDSSA-N 0 0 374.853 2.828 20 10 FFCDRN CC(C)c1cccc(NC(=S)NNc2ccc(S(N)(=O)=O)cc2)c1 ZINC000917571899 737766131 /nfs/dbraw/zinc/76/61/31/737766131.db2.gz PMPIQSAOTZDQAV-UHFFFAOYSA-N 0 0 364.496 2.771 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)C=C2CCSCC2)cc1 ZINC000772129558 737789227 /nfs/dbraw/zinc/78/92/27/737789227.db2.gz RTORHHLYOCIOMF-UHFFFAOYSA-N 0 0 362.495 2.708 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CC1(Cl)Cl ZINC000919790677 737877111 /nfs/dbraw/zinc/87/71/11/737877111.db2.gz WVUHJDZSXKZWAJ-ZDUSSCGKSA-N 0 0 358.269 2.516 20 10 FFCDRN Cc1ccc([C@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(C)c1 ZINC000919812152 737878560 /nfs/dbraw/zinc/87/85/60/737878560.db2.gz LIAFYRZBFJEFHQ-ZDUSSCGKSA-N 0 0 362.451 2.872 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1F ZINC000773252355 737885284 /nfs/dbraw/zinc/88/52/84/737885284.db2.gz PXRYHLJEEJHGOR-UHFFFAOYSA-N 0 0 359.762 2.772 20 10 FFCDRN CCOC[C@H](O)CSc1ncc(-c2ccc3c(c2)OCCO3)n1CC ZINC000773512677 737914208 /nfs/dbraw/zinc/91/42/08/737914208.db2.gz QFBGXQHASLPUDO-AWEZNQCLSA-N 0 0 364.467 2.831 20 10 FFCDRN C[C@H](OC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1cc(F)ccc1F ZINC000920637415 737918422 /nfs/dbraw/zinc/91/84/22/737918422.db2.gz CZNLMXOLQBKCRR-VIFPVBQESA-N 0 0 371.361 2.960 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000773744194 737932480 /nfs/dbraw/zinc/93/24/80/737932480.db2.gz PETVXPJWUHSHHJ-JTQLQIEISA-N 0 0 358.419 2.503 20 10 FFCDRN CC(C)CN1C(=O)C(=CNc2ccccc2C(F)(F)F)C(=O)NC1=S ZINC000920974261 737937383 /nfs/dbraw/zinc/93/73/83/737937383.db2.gz GPZDBYXIWUPPAJ-JXMROGBWSA-N 0 0 371.384 2.901 20 10 FFCDRN CC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000921021604 737940306 /nfs/dbraw/zinc/94/03/06/737940306.db2.gz NRMBDQLFIRKCLQ-GOSISDBHSA-N 0 0 361.511 2.557 20 10 FFCDRN CN(C)C(=O)CNC(=S)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000921270814 737956237 /nfs/dbraw/zinc/95/62/37/737956237.db2.gz LHLXWULWIKGZHQ-UHFFFAOYSA-N 0 0 362.543 2.508 20 10 FFCDRN CCC(C)(C)NC(=S)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000774156063 737965021 /nfs/dbraw/zinc/96/50/21/737965021.db2.gz GCGXSBAUVGWKLN-UHFFFAOYSA-N 0 0 353.507 2.940 20 10 FFCDRN CN(C)[C@@H](CCNC(=O)NCCCSc1nccs1)C(F)(F)F ZINC000921447851 737985932 /nfs/dbraw/zinc/98/59/32/737985932.db2.gz VGMWTBMNMIIAJN-JTQLQIEISA-N 0 0 370.466 2.807 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](C)CN2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000774974125 738046826 /nfs/dbraw/zinc/04/68/26/738046826.db2.gz JCZJDKRUMBNBJC-MGPQQGTHSA-N 0 0 351.447 2.765 20 10 FFCDRN CCOC(=O)C[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C(C)C ZINC000775082009 738059982 /nfs/dbraw/zinc/05/99/82/738059982.db2.gz QZLSTYOHQOHRNA-QGZVFWFLSA-N 0 0 354.403 2.767 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1ccc(Cl)o1 ZINC000775232689 738075262 /nfs/dbraw/zinc/07/52/62/738075262.db2.gz NSBYCHYHKHASBV-UHFFFAOYSA-N 0 0 363.845 2.664 20 10 FFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3sccc3[N+](=O)[O-])cc2)C1 ZINC000775668924 738111266 /nfs/dbraw/zinc/11/12/66/738111266.db2.gz MQRCECIXEUMHQU-CYBMUJFWSA-N 0 0 360.439 2.970 20 10 FFCDRN COCc1cnc(CN2CCN(c3ccc(OC)c(F)c3)CC2)s1 ZINC000775737246 738119300 /nfs/dbraw/zinc/11/93/00/738119300.db2.gz LRVMGTGCBKBTRR-UHFFFAOYSA-N 0 0 351.447 2.759 20 10 FFCDRN Cc1cccc(CN2CCO[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000775740008 738119845 /nfs/dbraw/zinc/11/98/45/738119845.db2.gz JJEQWTLPFXSPGE-GOEBONIOSA-N 0 0 350.459 2.815 20 10 FFCDRN C[C@@H](NCc1csc(CS(C)(=O)=O)n1)c1ccc(N(C)C)cc1 ZINC000775832752 738129970 /nfs/dbraw/zinc/12/99/70/738129970.db2.gz BLGCMTGMHWFBRR-GFCCVEGCSA-N 0 0 353.513 2.605 20 10 FFCDRN Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])[nH]1 ZINC000922409803 738140227 /nfs/dbraw/zinc/14/02/27/738140227.db2.gz SQWYQQUKLAGCMT-YMTOWFKASA-N 0 0 357.241 2.993 20 10 FFCDRN CCOC(=O)C[C@H]1C[C@@H](OC)C[N@@H+]1Cc1cccc(Br)c1[O-] ZINC000776015142 738152295 /nfs/dbraw/zinc/15/22/95/738152295.db2.gz UNSXTMKEMNQYIZ-CHWSQXEVSA-N 0 0 372.259 2.697 20 10 FFCDRN CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]Cc2c([O-])ccc(Cl)c2F)cn1 ZINC000922528030 738161371 /nfs/dbraw/zinc/16/13/71/738161371.db2.gz PJEGQCMTJGIRNA-DYVFJYSZSA-N 0 0 366.824 2.511 20 10 FFCDRN CC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCCCCC1 ZINC000776493466 738199696 /nfs/dbraw/zinc/19/96/96/738199696.db2.gz FVJLGTVJYIOTKE-UHFFFAOYSA-N 0 0 354.472 2.854 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1Cl ZINC000776748371 738228938 /nfs/dbraw/zinc/22/89/38/738228938.db2.gz DRORQWJJMFWABG-UHFFFAOYSA-N 0 0 355.799 2.941 20 10 FFCDRN CCCc1nc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000777125831 738266468 /nfs/dbraw/zinc/26/64/68/738266468.db2.gz SCROHVQMGWTJCP-UHFFFAOYSA-N 0 0 360.483 2.725 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCS1 ZINC000923336376 738272539 /nfs/dbraw/zinc/27/25/39/738272539.db2.gz KGHPCZRZJSITMU-GOEBONIOSA-N 0 0 363.527 2.731 20 10 FFCDRN O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc(O)c(O)c1 ZINC000784683546 738912285 /nfs/dbraw/zinc/91/22/85/738912285.db2.gz CVWPQSJTKRRCDR-UHFFFAOYSA-N 0 0 369.688 2.838 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2cccc(Cl)c2F)c1 ZINC000786290816 739039992 /nfs/dbraw/zinc/03/99/92/739039992.db2.gz VGHXOLJTQZAPBV-UHFFFAOYSA-N 0 0 373.789 2.913 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2c(C(F)(F)F)c(C)nn2C)c1 ZINC000931351150 739249208 /nfs/dbraw/zinc/24/92/08/739249208.db2.gz FRNGRKRIJUKCAJ-UHFFFAOYSA-N 0 0 358.320 2.783 20 10 FFCDRN CC(=O)Nc1ccc(C[NH2+]Cc2cccc(Br)c2[O-])cn1 ZINC000788524586 739254302 /nfs/dbraw/zinc/25/43/02/739254302.db2.gz SQUDDPFCFDDKKC-UHFFFAOYSA-N 0 0 350.216 2.798 20 10 FFCDRN Cc1nn(C)c(NC(=O)N2Cc3cccc(O)c3C2)c1Br ZINC000931576572 739290582 /nfs/dbraw/zinc/29/05/82/739290582.db2.gz KLQCAYYJQKGIAE-UHFFFAOYSA-N 0 0 351.204 2.744 20 10 FFCDRN O=c1[nH]ccc2cc(NNC(=S)Nc3ccc4c(c3)OCO4)ccc21 ZINC000789320344 739337486 /nfs/dbraw/zinc/33/74/86/739337486.db2.gz RYDAVHUXQOLYKE-UHFFFAOYSA-N 0 0 354.391 2.570 20 10 FFCDRN C[C@@H]1CCC[C@@]([NH2+]Cc2ccc(N3CCOCC3)c(F)c2)(C(=O)[O-])C1 ZINC000789903108 739395396 /nfs/dbraw/zinc/39/53/96/739395396.db2.gz ULHDJXUAYJMQKF-KUHUBIRLSA-N 0 0 350.434 2.785 20 10 FFCDRN O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1c(F)ccc(O)c1O ZINC000789993526 739403425 /nfs/dbraw/zinc/40/34/25/739403425.db2.gz YTMJBEWKDLGXEJ-LLVKDONJSA-N 0 0 350.777 2.899 20 10 FFCDRN C[C@@H]1CN(C(=O)c2cccc(O)c2O)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000790911593 739512304 /nfs/dbraw/zinc/51/23/04/739512304.db2.gz IACYBAYEYHWMFV-VXGBXAGGSA-N 0 0 350.415 2.568 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@@H](CO)Cc2ccc(F)c(F)c2)c1 ZINC000791003714 739522754 /nfs/dbraw/zinc/52/27/54/739522754.db2.gz GTOZNSWTKKQYNZ-LBPRGKRZSA-N 0 0 352.337 2.519 20 10 FFCDRN CCNC(=O)N1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000792774111 739706308 /nfs/dbraw/zinc/70/63/08/739706308.db2.gz OJWZWOVXDYTZPL-UHFFFAOYSA-N 0 0 358.408 2.619 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCC(F)(F)CC1 ZINC000792836254 739711576 /nfs/dbraw/zinc/71/15/76/739711576.db2.gz VRGORVYKBCDQQY-UHFFFAOYSA-N 0 0 357.376 2.603 20 10 FFCDRN CN(C)c1ccc(CN[C@H](C(N)=O)c2cccc(Br)c2)cc1 ZINC000793266608 739760254 /nfs/dbraw/zinc/76/02/54/739760254.db2.gz PYELLSXRYKOWCZ-INIZCTEOSA-N 0 0 362.271 2.831 20 10 FFCDRN CCOC(=O)c1cc(COC)cc(S(=O)(=O)Nc2ccc(O)cc2)c1 ZINC000793349710 739771144 /nfs/dbraw/zinc/77/11/44/739771144.db2.gz SQJZKUOCKUZTDR-UHFFFAOYSA-N 0 0 365.407 2.516 20 10 FFCDRN CC[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@@]2(CCOC2)O1 ZINC000793360666 739773285 /nfs/dbraw/zinc/77/32/85/739773285.db2.gz CKFBSNHOZZYODG-GDBMZVCRSA-N 0 0 356.260 2.925 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@H](O)[C@@H](F)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000934568382 739806975 /nfs/dbraw/zinc/80/69/75/739806975.db2.gz VMHSZIVLOWPKOL-HOTGVXAUSA-N 0 0 365.836 2.730 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1occ2c1CCOC2 ZINC000795329175 740004699 /nfs/dbraw/zinc/00/46/99/740004699.db2.gz LHJWRRNBTMEVPK-UHFFFAOYSA-N 0 0 358.463 2.836 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c(O)c1 ZINC000795358922 740009835 /nfs/dbraw/zinc/00/98/35/740009835.db2.gz YBJQPYLGAGJLNC-UHFFFAOYSA-N 0 0 361.341 2.898 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3csc(C)c3)CC2)cc1 ZINC000795773680 740062098 /nfs/dbraw/zinc/06/20/98/740062098.db2.gz ASARRBXPGMKRBB-UHFFFAOYSA-N 0 0 359.495 2.617 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(C[S@](C)=O)cc2)c1 ZINC000797130469 740215887 /nfs/dbraw/zinc/21/58/87/740215887.db2.gz AESMLJCXBIZAKP-SHZVTRLKSA-N 0 0 361.463 2.908 20 10 FFCDRN COC(=O)c1csc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000797635017 740260497 /nfs/dbraw/zinc/26/04/97/740260497.db2.gz UBOYAZKRRQVFHW-VIFPVBQESA-N 0 0 350.396 2.699 20 10 FFCDRN C[C@H](CO)NC(=O)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC000798083943 740302802 /nfs/dbraw/zinc/30/28/02/740302802.db2.gz LPLCYRLRKGTGPH-SNVBAGLBSA-N 0 0 352.793 2.907 20 10 FFCDRN CO[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@H](C)C1 ZINC000799364886 740412991 /nfs/dbraw/zinc/41/29/91/740412991.db2.gz PQVVGMCBYLHSJI-CRAIPNDOSA-N 0 0 363.527 2.949 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@H](CCO)Cc1ccccc1 ZINC000799603504 740432282 /nfs/dbraw/zinc/43/22/82/740432282.db2.gz RPIYGHUNLRBCKC-OAHLLOKOSA-N 0 0 365.524 2.918 20 10 FFCDRN CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000800309186 740510781 /nfs/dbraw/zinc/51/07/81/740510781.db2.gz FFYAXGVXAYORLX-TVQRCGJNSA-N 0 0 367.298 2.507 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2cc(C)cc(C)c2OC)c1O ZINC000800916099 740564418 /nfs/dbraw/zinc/56/44/18/740564418.db2.gz CYXGBJHSLRLXHR-UHFFFAOYSA-N 0 0 351.424 2.505 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC000801408469 740616550 /nfs/dbraw/zinc/61/65/50/740616550.db2.gz RIPMNJNVOPXCEE-QKIRZYONSA-N 0 0 358.825 2.938 20 10 FFCDRN Cc1c(NC(=O)C2=CC(=O)CS2)nnn1CCOc1ccc(F)cc1 ZINC000802670951 740717599 /nfs/dbraw/zinc/71/75/99/740717599.db2.gz NMJSMUSSAPDYQI-UHFFFAOYSA-N 0 0 362.386 2.824 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000802783459 740730846 /nfs/dbraw/zinc/73/08/46/740730846.db2.gz SPRQTXKKDZFZER-HNNXBMFYSA-N 0 0 355.312 2.769 20 10 FFCDRN COc1cccc(C(=O)NCc2cc(Br)ccc2O)c1O ZINC000804734544 740900736 /nfs/dbraw/zinc/90/07/36/740900736.db2.gz QDUBVVHNJDEWAJ-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN NC(=O)Nc1ccc(C(=O)NCc2cc(Br)ccc2O)cc1 ZINC000804735243 740900739 /nfs/dbraw/zinc/90/07/39/740900739.db2.gz RPVMLTAMDHZJEA-UHFFFAOYSA-N 0 0 364.199 2.575 20 10 FFCDRN COCc1cncc(C(=O)NCc2cc(Br)ccc2O)c1 ZINC000804737824 740901418 /nfs/dbraw/zinc/90/14/18/740901418.db2.gz ZNERPCBXUPTEGD-UHFFFAOYSA-N 0 0 351.200 2.626 20 10 FFCDRN Cc1ccc(C(=O)N2CCCC[C@@H]2COC(=O)NC(C)C)c(O)c1O ZINC000804931650 740917334 /nfs/dbraw/zinc/91/73/34/740917334.db2.gz PDLBQJYGSJZXCN-CYBMUJFWSA-N 0 0 350.415 2.536 20 10 FFCDRN C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)[C@H](C)C1 ZINC000806191717 741045891 /nfs/dbraw/zinc/04/58/91/741045891.db2.gz NIWBSAKKBRLDEA-JHJVBQTASA-N 0 0 355.529 2.682 20 10 FFCDRN C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806275322 741048932 /nfs/dbraw/zinc/04/89/32/741048932.db2.gz BYQVZBHLNYOAGK-JHJVBQTASA-N 0 0 355.529 2.635 20 10 FFCDRN C[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CC(C)(C)C1 ZINC000806280626 741049803 /nfs/dbraw/zinc/04/98/03/741049803.db2.gz GWWXJVTVCJLTGY-LBPRGKRZSA-N 0 0 355.529 2.636 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCC2(CCCC2)C1 ZINC000806278141 741049835 /nfs/dbraw/zinc/04/98/35/741049835.db2.gz NUJJYNZLVVAAAO-UHFFFAOYSA-N 0 0 353.513 2.534 20 10 FFCDRN C[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CC(C)(C)C1 ZINC000806280625 741049892 /nfs/dbraw/zinc/04/98/92/741049892.db2.gz GWWXJVTVCJLTGY-GFCCVEGCSA-N 0 0 355.529 2.636 20 10 FFCDRN C[C@H]1CCC[C@H](NC(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806281272 741050356 /nfs/dbraw/zinc/05/03/56/741050356.db2.gz SCJQVFFOPFHVOB-STQMWFEESA-N 0 0 355.529 2.827 20 10 FFCDRN C[C@H]1CO[C@@H](C(F)(F)F)CN1C(=O)NCCCSc1nccs1 ZINC000806958347 741098446 /nfs/dbraw/zinc/09/84/46/741098446.db2.gz GXVHIODDUUGHAQ-VHSXEESVSA-N 0 0 369.434 2.987 20 10 FFCDRN CS[C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807202080 741119685 /nfs/dbraw/zinc/11/96/85/741119685.db2.gz AQBVFKYKPAZUEF-JLJPHGGASA-N 0 0 363.527 2.720 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCCCc1cccs1)c1ccc(N(C)C)cc1 ZINC000807674671 741148080 /nfs/dbraw/zinc/14/80/80/741148080.db2.gz OZOREDHOYATCDW-AWEZNQCLSA-N 0 0 359.495 2.740 20 10 FFCDRN CCC(CC)(CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)SC ZINC000807678560 741148368 /nfs/dbraw/zinc/14/83/68/741148368.db2.gz IVYISRLFTTVOLQ-AWEZNQCLSA-N 0 0 365.543 2.968 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@]1(C)CCCS1 ZINC000807775194 741157823 /nfs/dbraw/zinc/15/78/23/741157823.db2.gz ADTOTFFSBCXZEH-IBGZPJMESA-N 0 0 364.511 2.923 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@]1(C)CCCS1 ZINC000807775196 741157831 /nfs/dbraw/zinc/15/78/31/741157831.db2.gz ADTOTFFSBCXZEH-LJQANCHMSA-N 0 0 364.511 2.923 20 10 FFCDRN CC[C@@H](CSC)NC(=O)C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000807911865 741171290 /nfs/dbraw/zinc/17/12/90/741171290.db2.gz CMVOWOPQCXAWSK-INIZCTEOSA-N 0 0 365.543 2.749 20 10 FFCDRN COc1ccc(N2CCN(c3nccnc3OC(F)F)CC2)cc1F ZINC000807990824 741176540 /nfs/dbraw/zinc/17/65/40/741176540.db2.gz CHTUXQQXGIFFNH-UHFFFAOYSA-N 0 0 354.332 2.552 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN1c1nccs1 ZINC000808096123 741186051 /nfs/dbraw/zinc/18/60/51/741186051.db2.gz BWBNWJFCUVHZJJ-GFCCVEGCSA-N 0 0 352.456 2.620 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccncc1Br ZINC000808095445 741186080 /nfs/dbraw/zinc/18/60/80/741186080.db2.gz FPCOKAIUZGKCKP-UHFFFAOYSA-N 0 0 356.216 2.965 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)CC2Cc3ccccc3C2)c1 ZINC000809819467 741348026 /nfs/dbraw/zinc/34/80/26/741348026.db2.gz VBFBMWUPGKMHCO-ZDUSSCGKSA-N 0 0 361.463 2.796 20 10 FFCDRN COCC[C@@H](COC)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000810257394 741402413 /nfs/dbraw/zinc/40/24/13/741402413.db2.gz PQQOQYWWWPRXOF-UWVGGRQHSA-N 0 0 350.228 2.996 20 10 FFCDRN CC[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(Cl)c(Cl)c1[O-] ZINC000810262033 741402917 /nfs/dbraw/zinc/40/29/17/741402917.db2.gz IQXDWYUSBCLRCT-LLVKDONJSA-N 0 0 355.287 2.631 20 10 FFCDRN Cc1cc(Cl)cnc1NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000812981515 741666363 /nfs/dbraw/zinc/66/63/63/741666363.db2.gz BVDMKMLOGONDHT-LBPRGKRZSA-N 0 0 360.845 2.925 20 10 FFCDRN CN(C)c1ccc(CN2C(=O)c3cccc(Cl)c3S2(=O)=O)cc1 ZINC000814763911 741862881 /nfs/dbraw/zinc/86/28/81/741862881.db2.gz NUDYWTYWNXITQW-UHFFFAOYSA-N 0 0 350.827 2.751 20 10 FFCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(Br)c2[O-])[C@H]1n1cccn1 ZINC000815166772 741908396 /nfs/dbraw/zinc/90/83/96/741908396.db2.gz JYCJAVIWUIVSIQ-RBSFLKMASA-N 0 0 366.259 2.860 20 10 FFCDRN CC(=O)C1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000815257396 741918046 /nfs/dbraw/zinc/91/80/46/741918046.db2.gz KDYMIQYEYWBSER-UHFFFAOYSA-N 0 0 352.381 2.742 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000815601313 741947674 /nfs/dbraw/zinc/94/76/74/741947674.db2.gz SMDGIMWHHWLYJE-COPLHBTASA-N 0 0 360.376 2.697 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CC[C@H](C(=O)N(C)C)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000815601314 741947785 /nfs/dbraw/zinc/94/77/85/741947785.db2.gz SMDGIMWHHWLYJE-MISXGVKJSA-N 0 0 360.376 2.697 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1CCCC[C@H]1OC ZINC000815952646 741977423 /nfs/dbraw/zinc/97/74/23/741977423.db2.gz QZJIPIWMANBFGI-GOEBONIOSA-N 0 0 369.845 2.752 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)C[C@H](CC(C)C)OC ZINC000817130046 742090810 /nfs/dbraw/zinc/09/08/10/742090810.db2.gz MICFKJWPRYYZMU-SFHVURJKSA-N 0 0 356.532 2.965 20 10 FFCDRN Cc1c(Cl)c(CNCc2cc(F)c(N3CCOCC3)c(F)c2)nn1C ZINC000817409246 742138854 /nfs/dbraw/zinc/13/88/54/742138854.db2.gz FRXHVCZKUVHZHD-UHFFFAOYSA-N 0 0 370.831 2.787 20 10 FFCDRN Cc1nn(C)c(C)c1CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817916160 742221804 /nfs/dbraw/zinc/22/18/04/742221804.db2.gz AJJGWQCTISKUEU-UHFFFAOYSA-N 0 0 355.467 2.596 20 10 FFCDRN CC(C)OC(=O)[C@@H](C)CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817955057 742224408 /nfs/dbraw/zinc/22/44/08/742224408.db2.gz PKCHDNGMYPBZRP-LBPRGKRZSA-N 0 0 361.467 2.634 20 10 FFCDRN COC(=O)c1cnc([C@@H](C)N[C@H](C)c2cc(C(=O)OC)ccc2O)s1 ZINC000818358302 742266649 /nfs/dbraw/zinc/26/66/49/742266649.db2.gz TYLNEYSDMFZKIH-NXEZZACHSA-N 0 0 364.423 2.834 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CC2CCN(CC(F)(F)F)CC2)c1 ZINC000821064770 742582769 /nfs/dbraw/zinc/58/27/69/742582769.db2.gz HFUJVDUDJQGETM-UHFFFAOYSA-N 0 0 360.376 2.681 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3ccsc3C)CC2)cc1 ZINC000822824156 742788302 /nfs/dbraw/zinc/78/83/02/742788302.db2.gz RIPXYEDSKDJPLR-UHFFFAOYSA-N 0 0 359.495 2.617 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccnn3C(F)F)CC2)cc1 ZINC000822918387 742803505 /nfs/dbraw/zinc/80/35/05/742803505.db2.gz AWYDKWKOYXDCIQ-UHFFFAOYSA-N 0 0 350.369 2.639 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NC[C@@H]3CCCSC3)C2)cc1 ZINC000823624079 742949397 /nfs/dbraw/zinc/94/93/97/742949397.db2.gz PZSIHLBQKIWKBT-CVEARBPZSA-N 0 0 363.527 2.964 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3ocnc3C(F)(F)F)C2)cc1 ZINC000824372608 743065421 /nfs/dbraw/zinc/06/54/21/743065421.db2.gz HMDDUFIYVZCUPR-JTQLQIEISA-N 0 0 355.316 2.711 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H](O)Cc2cccc(F)c2)c1[O-] ZINC000824501514 743093368 /nfs/dbraw/zinc/09/33/68/743093368.db2.gz NEOKENPKNWJMCN-CQSZACIVSA-N 0 0 354.765 2.786 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C[C@H](n2cccn2)C(F)(F)F)cc1F ZINC000824669340 743126205 /nfs/dbraw/zinc/12/62/05/743126205.db2.gz JHTVRQFIAKKPDF-AWEZNQCLSA-N 0 0 358.339 2.898 20 10 FFCDRN CC[C@H](NCc1nn(C)cc1I)c1ccccc1O ZINC000825079245 743206724 /nfs/dbraw/zinc/20/67/24/743206724.db2.gz OWNVMAQVSGVEOB-LBPRGKRZSA-N 0 0 371.222 2.971 20 10 FFCDRN CS(=O)(=O)C[C@H]1CCCCN1Cc1ccc(Br)cc1O ZINC000826064723 743363249 /nfs/dbraw/zinc/36/32/49/743363249.db2.gz NVWHPQLZDNLPTD-CYBMUJFWSA-N 0 0 362.289 2.554 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@@H](C)CC(F)F)CC2)cc1F ZINC000827159874 743522723 /nfs/dbraw/zinc/52/27/23/743522723.db2.gz IXKNDNZBGCQVRK-LBPRGKRZSA-N 0 0 359.392 2.957 20 10 FFCDRN Fc1cc(CN2CCO[C@H](CC(F)(F)F)C2)ccc1N1CCOCC1 ZINC000827790081 744978477 /nfs/dbraw/zinc/97/84/77/744978477.db2.gz ZFIVLZMETUXKAE-CQSZACIVSA-N 0 0 362.367 2.816 20 10 FFCDRN Cc1cc(CN2CCS(=O)(=O)C[C@@H](C)C2)ccc1N1CCCCC1 ZINC000829234869 745181791 /nfs/dbraw/zinc/18/17/91/745181791.db2.gz VSCXTGSNYWVIFH-INIZCTEOSA-N 0 0 350.528 2.852 20 10 FFCDRN COC(=O)[C@H](C)N(C)CC(=O)c1cc(C)n(-c2ccc(Cl)cn2)c1C ZINC000829391018 745201849 /nfs/dbraw/zinc/20/18/49/745201849.db2.gz UIBLPMBRVFDGAE-ZDUSSCGKSA-N 0 0 363.845 2.819 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)CC3CC(F)(F)C3)CC2)cc1 ZINC000830124511 745312062 /nfs/dbraw/zinc/31/20/62/745312062.db2.gz DJUQUMLDSMEHRT-UHFFFAOYSA-N 0 0 374.453 2.582 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCOCCCOC ZINC000830150935 745315336 /nfs/dbraw/zinc/31/53/36/745315336.db2.gz SSSXWGYQEDBMOZ-UHFFFAOYSA-N 0 0 374.275 2.946 20 10 FFCDRN CS(=O)(=O)c1cccc(/C=C2/SC(N3CCCCC3)=NC2=O)c1 ZINC000834408233 745833164 /nfs/dbraw/zinc/83/31/64/745833164.db2.gz IOSQLPKTNJYMPI-SDNWHVSQSA-N 0 0 350.465 2.546 20 10 FFCDRN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000834604083 745865880 /nfs/dbraw/zinc/86/58/80/745865880.db2.gz NDLZAQCRBRGGCF-GFCCVEGCSA-N 0 0 360.435 2.953 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)c1 ZINC000835075466 745945650 /nfs/dbraw/zinc/94/56/50/745945650.db2.gz XWSDKKDKDNFSJM-TZMCWYRMSA-N 0 0 353.260 2.706 20 10 FFCDRN C[C@H](F)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000836242981 746173336 /nfs/dbraw/zinc/17/33/36/746173336.db2.gz ZLTYPDVXUFKLQE-BFHYXJOUSA-N 0 0 355.429 2.987 20 10 FFCDRN C[C@@H](F)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000836242983 746173379 /nfs/dbraw/zinc/17/33/79/746173379.db2.gz ZLTYPDVXUFKLQE-MCIONIFRSA-N 0 0 355.429 2.987 20 10 FFCDRN Cc1ccc(CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1C ZINC000837145448 746378032 /nfs/dbraw/zinc/37/80/32/746378032.db2.gz WVFKQWVYNRUEEQ-UHFFFAOYSA-N 0 0 362.451 2.653 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3sccc3-n3ccnn3)ccc21 ZINC000837379775 746434732 /nfs/dbraw/zinc/43/47/32/746434732.db2.gz YJHVNAQMSFADPA-UHFFFAOYSA-N 0 0 353.451 2.641 20 10 FFCDRN CC[C@H]1[C@@H](CO)CCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837652449 746493244 /nfs/dbraw/zinc/49/32/44/746493244.db2.gz YIDVBIIDKPPVLG-AEFFLSMTSA-N 0 0 363.527 2.542 20 10 FFCDRN C[C@H](NC(=O)N1CC[C@H]([C@H](O)C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000838559432 746665805 /nfs/dbraw/zinc/66/58/05/746665805.db2.gz MJFTYGNBTOULDI-WHOFXGATSA-N 0 0 359.392 2.768 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NOCC3CC3)cc2F)C[C@H](C)O1 ZINC000838604532 746675208 /nfs/dbraw/zinc/67/52/08/746675208.db2.gz MRFXOKDTBBGSPZ-BETUJISGSA-N 0 0 351.422 2.580 20 10 FFCDRN CCOC(=O)c1noc(CN2CCCc3cc(OC(F)F)ccc32)n1 ZINC000838878629 746727539 /nfs/dbraw/zinc/72/75/39/746727539.db2.gz WWGLWGRGZXZTPR-UHFFFAOYSA-N 0 0 353.325 2.801 20 10 FFCDRN CC(C)(C[NH2+]Cc1cc(Cl)cc(F)c1[O-])[C@H]1COCC12OCCO2 ZINC000839172120 746792760 /nfs/dbraw/zinc/79/27/60/746792760.db2.gz HNDAUVBPYVNEIH-CQSZACIVSA-N 0 0 359.825 2.690 20 10 FFCDRN Cc1ccn(CC(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)n1 ZINC000839272795 746806685 /nfs/dbraw/zinc/80/66/85/746806685.db2.gz KOYZDPGFRAKCQV-UHFFFAOYSA-N 0 0 354.376 2.849 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C)S[C@H](C)C1 ZINC000839339251 746814244 /nfs/dbraw/zinc/81/42/44/746814244.db2.gz IUAXRZHKXXZAQO-HUUCEWRRSA-N 0 0 364.511 2.873 20 10 FFCDRN C[C@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)c1cnn(C)c1 ZINC000839545410 746852019 /nfs/dbraw/zinc/85/20/19/746852019.db2.gz HSSAHIAHWDNHFL-OAHLLOKOSA-N 0 0 358.511 2.783 20 10 FFCDRN C[C@@H](CC(=O)NCc1ccc(N2CCSCC2)cc1)c1cnn(C)c1 ZINC000839545409 746852030 /nfs/dbraw/zinc/85/20/30/746852030.db2.gz HSSAHIAHWDNHFL-HNNXBMFYSA-N 0 0 358.511 2.783 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1c(C)cnn1C ZINC000839693938 746896318 /nfs/dbraw/zinc/89/63/18/746896318.db2.gz HFVAKOCCHGDSKH-UHFFFAOYSA-N 0 0 352.232 2.859 20 10 FFCDRN CN(CCCN(C)C(=O)c1c(F)ccc(O)c1O)C(=O)OC(C)(C)C ZINC000839872543 746949510 /nfs/dbraw/zinc/94/95/10/746949510.db2.gz GZXDOTFKCDPCLE-UHFFFAOYSA-N 0 0 356.394 2.566 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C1CN(CC(F)(F)F)C1 ZINC000839920943 746960750 /nfs/dbraw/zinc/96/07/50/746960750.db2.gz VRLAWMYQLJLNNR-ZDUSSCGKSA-N 0 0 357.420 2.602 20 10 FFCDRN CC1(C)CN(Cc2cc3c(cc2O)OC[C@H]3O)C[C@@](C)(C(F)(F)F)O1 ZINC000840088427 746996965 /nfs/dbraw/zinc/99/69/65/746996965.db2.gz QOLGPTPRJFYTJG-CJNGLKHVSA-N 0 0 361.360 2.750 20 10 FFCDRN COc1ccc2ccc(O)c(CN3CCS(=O)(=O)[C@H]4CCC[C@H]43)c2c1 ZINC000840147796 747019799 /nfs/dbraw/zinc/01/97/99/747019799.db2.gz YYPGLEMBNWGSCL-MJGOQNOKSA-N 0 0 361.463 2.706 20 10 FFCDRN COC1([C@H](C)NC(=O)NCc2ccc(N3CCSCC3)cc2)CCC1 ZINC000840258281 747049726 /nfs/dbraw/zinc/04/97/26/747049726.db2.gz RMBXTTDJNRYKDQ-HNNXBMFYSA-N 0 0 363.527 2.997 20 10 FFCDRN O=[N+]([O-])c1cnc(NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000840326331 747066374 /nfs/dbraw/zinc/06/63/74/747066374.db2.gz RGTZOHHJQOJGRJ-UHFFFAOYSA-N 0 0 356.354 2.778 20 10 FFCDRN Cc1nc(SCCC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)n[nH]1 ZINC000840554474 747124285 /nfs/dbraw/zinc/12/42/85/747124285.db2.gz BOYMESNTPGWPJZ-ZDUSSCGKSA-N 0 0 361.515 2.717 20 10 FFCDRN C[C@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)c1cc(F)cc(F)c1[O-] ZINC000840799863 747186612 /nfs/dbraw/zinc/18/66/12/747186612.db2.gz XLUCCPNKLMDAAB-XHDPSFHLSA-N 0 0 357.397 2.737 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)NCc2nccc(C(F)(F)F)n2)c1 ZINC000840868618 747207573 /nfs/dbraw/zinc/20/75/73/747207573.db2.gz CIWHZFWRKAINHI-VIFPVBQESA-N 0 0 355.316 2.838 20 10 FFCDRN CCc1nc(CN2CCN(Cc3c(O)cc(C)cc3Cl)CC2)no1 ZINC000840916759 747224088 /nfs/dbraw/zinc/22/40/88/747224088.db2.gz CQTVHCIFRSSZFC-UHFFFAOYSA-N 0 0 350.850 2.617 20 10 FFCDRN COc1cc(N(C)Cc2ccc(S(C)(=O)=O)s2)cc(OC)c1OC ZINC000840936218 747234149 /nfs/dbraw/zinc/23/41/49/747234149.db2.gz HHUYBSHKOKVQBQ-UHFFFAOYSA-N 0 0 371.480 2.814 20 10 FFCDRN Cc1cc(C[NH+](C)C)ccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000840952979 747240743 /nfs/dbraw/zinc/24/07/43/747240743.db2.gz JZMYVFYVBAPRJE-UHFFFAOYSA-N 0 0 362.480 2.862 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CCC[C@@H](CC(=O)[O-])C2)c1O ZINC000840995736 747252719 /nfs/dbraw/zinc/25/27/19/747252719.db2.gz PDSSFZYBNCSUCX-JTQLQIEISA-N 0 0 358.232 2.850 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+][C@H]1CCCNC1 ZINC000841042218 747259979 /nfs/dbraw/zinc/25/99/79/747259979.db2.gz GHXGTWHTDCDNBP-JTQLQIEISA-N 0 0 364.081 2.759 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3nc4c(s3)CCC4)CC2)cc1 ZINC000841071897 747263731 /nfs/dbraw/zinc/26/37/31/747263731.db2.gz UWYSTAYQXZKQGO-UHFFFAOYSA-N 0 0 357.479 2.993 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)C2CCC2)cc1 ZINC000841402015 747338323 /nfs/dbraw/zinc/33/83/23/747338323.db2.gz BGSYAVTVWXLTIG-UHFFFAOYSA-N 0 0 359.447 2.991 20 10 FFCDRN C[C@H]1OC(=O)N[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841433604 747349407 /nfs/dbraw/zinc/34/94/07/747349407.db2.gz WSMOZSJCPLAUCI-HSMVNMDESA-N 0 0 365.861 2.689 20 10 FFCDRN Cc1cc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cs1 ZINC000841494917 747369216 /nfs/dbraw/zinc/36/92/16/747369216.db2.gz FLVKCVFGFDNINQ-LCYFTJDESA-N 0 0 354.522 2.590 20 10 FFCDRN C[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)c1ccc(Cl)cc1[O-] ZINC000841744192 747446641 /nfs/dbraw/zinc/44/66/41/747446641.db2.gz MTAALSYREKOYMI-LBPRGKRZSA-N 0 0 365.861 2.951 20 10 FFCDRN O=C([O-])[C@@]1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCSC1 ZINC000841801709 747464894 /nfs/dbraw/zinc/46/48/94/747464894.db2.gz XROPXZJUZGLRJL-QGZVFWFLSA-N 0 0 365.455 2.635 20 10 FFCDRN O=S1(=O)C[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)Oc2ccccc21 ZINC000842724042 747669712 /nfs/dbraw/zinc/66/97/12/747669712.db2.gz NKLNWDMRQUPHME-SNVBAGLBSA-N 0 0 371.817 2.509 20 10 FFCDRN C[C@H](C[C@H](C)NC(=O)c1c(F)ccc(O)c1O)NC(=O)OC(C)(C)C ZINC000844145682 747978184 /nfs/dbraw/zinc/97/81/84/747978184.db2.gz CDSOJWKKXWULAP-VHSXEESVSA-N 0 0 356.394 2.659 20 10 FFCDRN COC/C(C)=C/C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000844340776 748008725 /nfs/dbraw/zinc/00/87/25/748008725.db2.gz DDNIYSDBRONPOO-XWWZYGQCSA-N 0 0 350.434 2.648 20 10 FFCDRN COc1ccc(N(C)CCN(C)CC(=O)Nc2ccc(Cl)cn2)cc1 ZINC000844402110 748021652 /nfs/dbraw/zinc/02/16/52/748021652.db2.gz UZKPHSOXIPDQFA-UHFFFAOYSA-N 0 0 362.861 2.750 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=S)NCCc2cccnc2)cc1 ZINC000844581773 748055119 /nfs/dbraw/zinc/05/51/19/748055119.db2.gz AXNGAUYZXXYSTC-UHFFFAOYSA-N 0 0 358.511 2.575 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C(C)(C)COCC(F)F)cc1 ZINC000844855788 748117757 /nfs/dbraw/zinc/11/77/57/748117757.db2.gz IESDYKXQXXHRSX-UHFFFAOYSA-N 0 0 358.429 2.898 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)C(=O)Nc1cnc2c(c1)CCCC2 ZINC000846122524 748411846 /nfs/dbraw/zinc/41/18/46/748411846.db2.gz VVTASQVTZLOOTH-UHFFFAOYSA-N 0 0 359.813 2.574 20 10 FFCDRN COCCCOc1ccc(C(=O)NCc2cc(Cl)ccc2O)cn1 ZINC000846472678 748487617 /nfs/dbraw/zinc/48/76/17/748487617.db2.gz LHDKBXZYYHOTCB-UHFFFAOYSA-N 0 0 350.802 2.786 20 10 FFCDRN CC(=O)N(CCc1ccccc1)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472728 748487726 /nfs/dbraw/zinc/48/77/26/748487726.db2.gz FDOPOCFCHAIOPX-UHFFFAOYSA-N 0 0 360.841 2.753 20 10 FFCDRN C[C@@H](CO)C1CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CC1 ZINC000846696724 748525350 /nfs/dbraw/zinc/52/53/50/748525350.db2.gz GKMHYYJIONUUNJ-ZDUSSCGKSA-N 0 0 359.495 2.797 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)CC1(Br)CC1 ZINC000846825688 748552259 /nfs/dbraw/zinc/55/22/59/748552259.db2.gz VZFIMWGGCJMGKK-UHFFFAOYSA-N 0 0 362.651 2.948 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(OCC(F)(F)F)o1 ZINC000847696220 748760965 /nfs/dbraw/zinc/76/09/65/748760965.db2.gz NQUUVGWZCDNTOF-VIFPVBQESA-N 0 0 359.300 2.993 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CCc2c(nnn2C)C1 ZINC000848310973 748898003 /nfs/dbraw/zinc/89/80/03/748898003.db2.gz VUZIJJXHAXWSDW-CYBMUJFWSA-N 0 0 355.467 2.571 20 10 FFCDRN COCC[N@@H+](Cc1cc(Br)ccc1O)C[C@H](O)C(F)(F)F ZINC000848921471 749034843 /nfs/dbraw/zinc/03/48/43/749034843.db2.gz BQFMCLRHCSIGCS-LBPRGKRZSA-N 0 0 372.181 2.526 20 10 FFCDRN COc1c(O)c(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000848927275 749036374 /nfs/dbraw/zinc/03/63/74/749036374.db2.gz DSIBTBMIJSWCAB-JQWIXIFHSA-N 0 0 364.320 2.899 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCC1 ZINC000849372572 749116977 /nfs/dbraw/zinc/11/69/77/749116977.db2.gz QRIFGBSYJXWVJA-KRWDZBQOSA-N 0 0 358.479 2.516 20 10 FFCDRN CCc1cccc(S(=O)(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000849415843 749142772 /nfs/dbraw/zinc/14/27/72/749142772.db2.gz GDPZKPFYFZTUFF-MRXNPFEDSA-N 0 0 360.479 2.815 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)C[C@H]3CCCC3(F)F)C2)cc1 ZINC000849417068 749143297 /nfs/dbraw/zinc/14/32/97/749143297.db2.gz IDYVALRYTPVGAG-ZIAGYGMSSA-N 0 0 374.453 2.629 20 10 FFCDRN COC(=O)c1cnc([C@@H](C)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000850488823 749373063 /nfs/dbraw/zinc/37/30/63/749373063.db2.gz UKVWCMSKOYJBDM-CHWSQXEVSA-N 0 0 361.467 2.868 20 10 FFCDRN COc1ccc(N(C)C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1F ZINC000851807881 749682439 /nfs/dbraw/zinc/68/24/39/749682439.db2.gz IZGHSUBVUKNAAM-CQSZACIVSA-N 0 0 354.422 2.906 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NC[C@@H]3CC3(Cl)Cl)C2)cc1 ZINC000851969673 749738946 /nfs/dbraw/zinc/73/89/46/749738946.db2.gz JRUSMXPZPWKMOR-NWDGAFQWSA-N 0 0 358.269 2.767 20 10 FFCDRN C[C@]1(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CC1(F)F ZINC000852003753 749748771 /nfs/dbraw/zinc/74/87/71/749748771.db2.gz AWDXAIBIMCXHPJ-KRWDZBQOSA-N 0 0 353.413 2.758 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H](C)c3nccs3)C2)cc1 ZINC000852252495 749815888 /nfs/dbraw/zinc/81/58/88/749815888.db2.gz IUIJZZIKNIDTCN-UONOGXRCSA-N 0 0 360.483 2.833 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@H]1CCCSC1 ZINC000852339836 749839108 /nfs/dbraw/zinc/83/91/08/749839108.db2.gz XDGBSZAPAPRIFC-INIZCTEOSA-N 0 0 363.527 2.590 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@@]3(C)CC3(F)F)CC2)cc1 ZINC000852583429 749897954 /nfs/dbraw/zinc/89/79/54/749897954.db2.gz WMKUFKGOPZRDDM-QGZVFWFLSA-N 0 0 353.413 2.962 20 10 FFCDRN COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c(O)cc1C ZINC000853622386 750117084 /nfs/dbraw/zinc/11/70/84/750117084.db2.gz GDBQBLBOJDJWME-MFKMUULPSA-N 0 0 360.376 2.598 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000853748360 750151447 /nfs/dbraw/zinc/15/14/47/750151447.db2.gz CIHWFKNSDMLSOY-OAHLLOKOSA-N 0 0 359.392 2.924 20 10 FFCDRN O=S1(=O)CCN(c2ccc(CNc3cccc(Cl)n3)cc2)CC1 ZINC000853792090 750165882 /nfs/dbraw/zinc/16/58/82/750165882.db2.gz UMTWJGIOJKVVNW-UHFFFAOYSA-N 0 0 351.859 2.582 20 10 FFCDRN CC(C)c1nnc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)s1 ZINC000853862497 750184800 /nfs/dbraw/zinc/18/48/00/750184800.db2.gz GJFFRTAFPIWYJW-UHFFFAOYSA-N 0 0 360.483 2.553 20 10 FFCDRN COc1ccc(F)cc1CN1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000854288726 750275839 /nfs/dbraw/zinc/27/58/39/750275839.db2.gz DKNGOXDCCOZMGR-UHFFFAOYSA-N 0 0 350.415 2.559 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000855022880 750411145 /nfs/dbraw/zinc/41/11/45/750411145.db2.gz LOZOGBHEQBPEJW-NWDGAFQWSA-N 0 0 367.751 2.646 20 10 FFCDRN O=C(N[C@H]1CCCC[C@@H]1NC(=O)C1=CC(=O)CS1)C1=CC(=O)CS1 ZINC000855082179 750423174 /nfs/dbraw/zinc/42/31/74/750423174.db2.gz XTYZLTNKYDFDGO-RYUDHWBXSA-N 0 0 366.464 2.692 20 10 FFCDRN COc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1Cl ZINC000049152161 845182208 /nfs/dbraw/zinc/18/22/08/845182208.db2.gz BAEABULXDRCLPI-UHFFFAOYSA-N 0 0 361.829 2.670 20 10 FFCDRN 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/nfs/dbraw/zinc/18/56/72/997185672.db2.gz TXMRJHGINOMTQS-UHFFFAOYSA-N 0 0 354.410 2.775 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cnc4ccccn34)CC2)cc1 ZINC000825113518 997217800 /nfs/dbraw/zinc/21/78/00/997217800.db2.gz FZSXDPHSKYUESY-UHFFFAOYSA-N 0 0 351.410 2.697 20 10 FFCDRN Cc1cc(CC(=O)N2CCCC[C@H]2CNC(N)=O)c(C)n1-c1ccccc1 ZINC000825330866 997320908 /nfs/dbraw/zinc/32/09/08/997320908.db2.gz FKRNDSGXPHUSBE-IBGZPJMESA-N 0 0 368.481 2.686 20 10 FFCDRN Cc1cccc2c1O[C@H](C(=O)NCc1ccc(N3CCOCC3)c(F)c1)C2 ZINC000825359227 997336483 /nfs/dbraw/zinc/33/64/83/997336483.db2.gz JFMSTMFVAJOQMX-IBGZPJMESA-N 0 0 370.424 2.591 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)Cn1nnnc1-c1ccsc1 ZINC000843882035 997472957 /nfs/dbraw/zinc/47/29/57/997472957.db2.gz YOBCRXKOMVPUNT-UHFFFAOYSA-N 0 0 371.466 2.936 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)Cc3nnn(C(C)(C)C)n3)cc2)CC1 ZINC000826861595 1016135627 /nfs/dbraw/zinc/13/56/27/1016135627.db2.gz GVFZYKCKUALCDF-UHFFFAOYSA-N 0 0 370.501 2.523 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cc2ncn(-c3ccccc3)n2)cc1 ZINC000844402443 997863669 /nfs/dbraw/zinc/86/36/69/997863669.db2.gz XLMIVRFRHXSACV-UHFFFAOYSA-N 0 0 351.454 2.844 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2ccc(C3CC3)nn2)cc1 ZINC000844559153 997983792 /nfs/dbraw/zinc/98/37/92/997983792.db2.gz SWJAGYIJZNZUQT-UHFFFAOYSA-N 0 0 355.442 2.963 20 10 FFCDRN COc1cc(Br)cc(C[NH2+][C@H](CC(F)(F)F)C(=O)[O-])c1O ZINC001599346287 998011400 /nfs/dbraw/zinc/01/14/00/998011400.db2.gz CTAOVWBWWCYRGD-MRVPVSSYSA-N 0 0 372.137 2.659 20 10 FFCDRN CCn1[nH]c(C)nc1=NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001144125695 998042375 /nfs/dbraw/zinc/04/23/75/998042375.db2.gz VKNAIXUFKUJLMX-UHFFFAOYSA-N 0 0 351.410 2.501 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cc3n(n2)CCCC3)cc1 ZINC000844661812 998064350 /nfs/dbraw/zinc/06/43/50/998064350.db2.gz WTRILPMEHHGUAM-UHFFFAOYSA-N 0 0 357.458 2.828 20 10 FFCDRN CO[C@@H]1CCC[C@H]([C@H]2NC(=O)N(Cc3ccc4c(c3)CCCN4C)C2=O)C1 ZINC000844719867 998094342 /nfs/dbraw/zinc/09/43/42/998094342.db2.gz LMNUHPNAFNGOOU-YQVWRLOYSA-N 0 0 371.481 2.695 20 10 FFCDRN C[C@@H](C(=O)NC1CCC(C)CC1)n1cc(COc2ccc(N)cc2)nn1 ZINC000881156540 1016187346 /nfs/dbraw/zinc/18/73/46/1016187346.db2.gz YWBZTAIAABURDC-BBBYJDLNSA-N 0 0 357.458 2.695 20 10 FFCDRN O=C(CCC(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1)C1CC1 ZINC001144223663 998160215 /nfs/dbraw/zinc/16/02/15/998160215.db2.gz YGWVAHAXRXVVKL-UHFFFAOYSA-N 0 0 370.371 2.993 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H]2OC(=O)c3ccccc32)cc1 ZINC000844851804 998195419 /nfs/dbraw/zinc/19/54/19/998195419.db2.gz HDWLKSXLFHQSTD-LJQANCHMSA-N 0 0 368.433 2.892 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Cc2cc(F)ccc2OC)cc1 ZINC000844854495 998198523 /nfs/dbraw/zinc/19/85/23/998198523.db2.gz BDUFRDHMMNSYLA-UHFFFAOYSA-N 0 0 360.429 2.980 20 10 FFCDRN CCN(C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000844927527 998234790 /nfs/dbraw/zinc/23/47/90/998234790.db2.gz PGYDIQQXKWVEHW-APWZRJJASA-N 0 0 361.486 2.795 20 10 FFCDRN CCC[C@H](C)[C@@H](CO)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000844928685 998235327 /nfs/dbraw/zinc/23/53/27/998235327.db2.gz YSHYENUKKYIXJW-TXPKVOOTSA-N 0 0 363.502 2.681 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2CCCc3c[nH]nc32)cc1 ZINC000845062652 998334829 /nfs/dbraw/zinc/33/48/29/998334829.db2.gz CCGVXRBUXVXGIT-KRWDZBQOSA-N 0 0 357.458 2.574 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)OCC(=O)c1cn(C)nn1 ZINC000845107391 998352788 /nfs/dbraw/zinc/35/27/88/998352788.db2.gz RBTDXIOLGIAVMZ-UHFFFAOYSA-N 0 0 352.394 2.571 20 10 FFCDRN Cc1cc(C(=O)Cn2cc(C(=O)N(C)C)nn2)c(C)n1-c1cccc(C)c1 ZINC000881228160 1016216596 /nfs/dbraw/zinc/21/65/96/1016216596.db2.gz OUYMHVOVIYXKGB-UHFFFAOYSA-N 0 0 365.437 2.579 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC(C2(O)CC2)CC1 ZINC000845261469 998477830 /nfs/dbraw/zinc/47/78/30/998477830.db2.gz LOASCQKNOASYIR-INIZCTEOSA-N 0 0 359.514 2.939 20 10 FFCDRN CCOC[C@@H]1CN(Cc2c(O)cc(O)cc2O)Cc2nn(CC3CC3)cc21 ZINC001144509964 998623591 /nfs/dbraw/zinc/62/35/91/998623591.db2.gz ONJIBHDSDCLKHD-AWEZNQCLSA-N 0 0 373.453 2.546 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCCc3c2ccc(=O)n3C)c1 ZINC000845772979 998651099 /nfs/dbraw/zinc/65/10/99/998651099.db2.gz OAGIPXDVGHGSJT-LRDDRELGSA-N 0 0 371.437 2.537 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@](C)(CO)C2CC2)CCCC1 ZINC000845825924 998668412 /nfs/dbraw/zinc/66/84/12/998668412.db2.gz NCSKKVIZYSULKN-OAQYLSRUSA-N 0 0 356.466 2.806 20 10 FFCDRN Cc1cc(C(=O)COC(=O)c2cccn(C)c2=O)c(C)n1-c1ccccc1 ZINC000733504281 999003734 /nfs/dbraw/zinc/00/37/34/999003734.db2.gz HIKUDEGVDNNETB-UHFFFAOYSA-N 0 0 364.401 2.833 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1CCN(C(C)(C)C)C1=O ZINC000826979276 1016278513 /nfs/dbraw/zinc/27/85/13/1016278513.db2.gz KSBIAGAVTRAWGG-YJBOKZPZSA-N 0 0 374.529 2.691 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(N3CCOC3=O)c2)c1 ZINC000734006644 999171964 /nfs/dbraw/zinc/17/19/64/999171964.db2.gz WZDKORZUQGFLRB-UHFFFAOYSA-N 0 0 357.366 2.679 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1 ZINC000734215202 999234746 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C[C@@H](C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cccs1 ZINC000737517596 999600052 /nfs/dbraw/zinc/60/00/52/999600052.db2.gz OIVFZZBPCUBCSO-GDBMZVCRSA-N 0 0 371.506 2.870 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCC2(O)Cc3ccccc3C2)cc1 ZINC000738461769 999627634 /nfs/dbraw/zinc/62/76/34/999627634.db2.gz XOJGLLMDEMPEHY-UHFFFAOYSA-N 0 0 367.493 2.862 20 10 FFCDRN C[C@H](NC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(C)(C)O ZINC000739005418 999637708 /nfs/dbraw/zinc/63/77/08/999637708.db2.gz QFKOACXXQJRRJQ-LBPRGKRZSA-N 0 0 371.428 2.715 20 10 FFCDRN CCc1ocnc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000739522326 999650860 /nfs/dbraw/zinc/65/08/60/999650860.db2.gz BHNFXAOKMGJVED-STQMWFEESA-N 0 0 361.417 2.920 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Cc3ccn(C(C)C)n3)CC2)cc1 ZINC000740740841 999681865 /nfs/dbraw/zinc/68/18/65/999681865.db2.gz BKUIUIXLBJCOJA-UHFFFAOYSA-N 0 0 356.470 2.754 20 10 FFCDRN Cc1cc(C(=O)CN2CCN3C(=O)CC[C@H]3C2)c(C)n1-c1cccc(F)c1 ZINC000766270720 999720073 /nfs/dbraw/zinc/72/00/73/999720073.db2.gz KZOVAORGHDYQQF-SFHVURJKSA-N 0 0 369.440 2.723 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)CCCc2ccccn2)cc1 ZINC000741337483 999722107 /nfs/dbraw/zinc/72/21/07/999722107.db2.gz SKHRXBIMJVFJNV-UHFFFAOYSA-N 0 0 369.465 2.672 20 10 FFCDRN C[C@@H]1CCC[C@H](C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000741543625 999731344 /nfs/dbraw/zinc/73/13/44/999731344.db2.gz LWLXWHVLAZVVPF-NJAFHUGGSA-N 0 0 357.498 2.831 20 10 FFCDRN C[C@@]12CCC(=O)N1[C@H](C(=O)NCc1ccc(N3CCCCC3)cc1)CS2 ZINC000742475906 999775150 /nfs/dbraw/zinc/77/51/50/999775150.db2.gz FGRPTEGYPVMDPR-FXAWDEMLSA-N 0 0 373.522 2.747 20 10 FFCDRN COC(=O)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cn1 ZINC000742475870 999775272 /nfs/dbraw/zinc/77/52/72/999775272.db2.gz BZUMNAAUAOFWRI-UHFFFAOYSA-N 0 0 353.422 2.789 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)[C@H](C)c3ccc(C)o3)CC2)cc1 ZINC000742589693 999779164 /nfs/dbraw/zinc/77/91/64/999779164.db2.gz DTHJEUIGBOGZQF-QGZVFWFLSA-N 0 0 371.481 2.639 20 10 FFCDRN Cc1cc(C(=O)N2CC(=O)N(C(C)C)C(C)(C)C2)c(C)n1-c1ccccn1 ZINC000742819462 999788436 /nfs/dbraw/zinc/78/84/36/999788436.db2.gz AOZXPEBYRCSTCB-UHFFFAOYSA-N 0 0 368.481 2.961 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000742889151 999792316 /nfs/dbraw/zinc/79/23/16/999792316.db2.gz GRBDBDMSEOPKTP-MOFZMDFASA-N 0 0 369.440 2.972 20 10 FFCDRN CO[C@@H](C)CCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743590588 999824415 /nfs/dbraw/zinc/82/44/15/999824415.db2.gz CUHCUZCSTDFREK-KBPBESRZSA-N 0 0 371.428 2.981 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000743719547 999830202 /nfs/dbraw/zinc/83/02/02/999830202.db2.gz GLINMLVNXKXUNU-HNNXBMFYSA-N 0 0 356.466 2.678 20 10 FFCDRN Cc1ccc([C@H](C)C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000745662348 999925585 /nfs/dbraw/zinc/92/55/85/999925585.db2.gz FYYUEPFQVYLLSI-HNNXBMFYSA-N 0 0 358.438 2.959 20 10 FFCDRN COc1ccc2c(c1)CCCN2CN1C(=O)CN(c2ccccc2)C1=O ZINC000766341947 999968152 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ZINC000774965335 1003164555 /nfs/dbraw/zinc/16/45/55/1003164555.db2.gz YYQQVNRUZWYKNN-CQSZACIVSA-N 0 0 357.410 2.925 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)NC[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000792869036 1003204581 /nfs/dbraw/zinc/20/45/81/1003204581.db2.gz ZDZMIIXKRGRPNX-ROUUACIJSA-N 0 0 374.529 2.553 20 10 FFCDRN COc1ccc(CNC(=O)NCCc2c[nH]c3cccc(OC)c23)c(O)c1 ZINC000793149468 1003293284 /nfs/dbraw/zinc/29/32/84/1003293284.db2.gz DMNLZTWIPHVBME-UHFFFAOYSA-N 0 0 369.421 2.933 20 10 FFCDRN C[C@H](NC(=O)N(CCCO)Cc1ccccn1)c1ccc(N(C)C)cc1 ZINC000793167477 1003295503 /nfs/dbraw/zinc/29/55/03/1003295503.db2.gz MEGMQLVOGFWABW-INIZCTEOSA-N 0 0 356.470 2.803 20 10 FFCDRN COC(=O)[C@H]1CC[C@H](NC(=O)c2cc(-n3c(C)ccc3C)ccc2O)C1 ZINC001186850566 1003436350 /nfs/dbraw/zinc/43/63/50/1003436350.db2.gz WSQQMNWYIWEPAE-GJZGRUSLSA-N 0 0 356.422 2.871 20 10 FFCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)[C@@H]1CCCO1 ZINC001187033874 1003547094 /nfs/dbraw/zinc/54/70/94/1003547094.db2.gz AVYLSGYYRRROCG-MSOLQXFVSA-N 0 0 356.378 2.778 20 10 FFCDRN O=C(NCC(F)(F)F)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001187083824 1003562361 /nfs/dbraw/zinc/56/23/61/1003562361.db2.gz HRABNPPOQYWBKK-UHFFFAOYSA-N 0 0 371.281 2.979 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)CC3CC(C)(C)C3)CC2)cc1 ZINC000794255980 1003592437 /nfs/dbraw/zinc/59/24/37/1003592437.db2.gz VOAQISJBZCWOIK-UHFFFAOYSA-N 0 0 359.514 2.760 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3c(c2F)CCNC3=O)c1 ZINC000794375938 1003619854 /nfs/dbraw/zinc/61/98/54/1003619854.db2.gz YXRSJDPYKMPXIT-JTQLQIEISA-N 0 0 373.384 2.709 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCc3ccnc(OC)c3)CC2)cc1 ZINC000102442338 1003777407 /nfs/dbraw/zinc/77/74/07/1003777407.db2.gz XXPZUPREBNEKTF-UHFFFAOYSA-N 0 0 370.453 2.567 20 10 FFCDRN Cc1cc(Br)cc(S(=O)(=O)NCc2ccc(O)cc2O)c1 ZINC001191320892 1003783158 /nfs/dbraw/zinc/78/31/58/1003783158.db2.gz ZYEXECBXFGTVNI-UHFFFAOYSA-N 0 0 372.240 2.647 20 10 FFCDRN CCOC(=O)c1cn(C)nc1NC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775718709 1003784124 /nfs/dbraw/zinc/78/41/24/1003784124.db2.gz NAHJMGDNKFKIMX-GFCCVEGCSA-N 0 0 359.430 2.546 20 10 FFCDRN COc1c(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cccc1C(N)=O ZINC000775722306 1003794930 /nfs/dbraw/zinc/79/49/30/1003794930.db2.gz PDSDCGSYNINRRV-LBPRGKRZSA-N 0 0 356.426 2.743 20 10 FFCDRN Cc1c(Br)cccc1S(=O)(=O)NCc1cccc(O)c1O ZINC001196566161 1003818115 /nfs/dbraw/zinc/81/81/15/1003818115.db2.gz GZEWOUGAAONGSS-UHFFFAOYSA-N 0 0 372.240 2.647 20 10 FFCDRN CCOC(=O)c1ccnc(CNC(=S)Nc2ccc(C(C)=O)cc2)c1 ZINC001196570520 1003822042 /nfs/dbraw/zinc/82/20/42/1003822042.db2.gz DFZALGYIORLPKJ-UHFFFAOYSA-N 0 0 357.435 2.948 20 10 FFCDRN CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000804853159 1003891828 /nfs/dbraw/zinc/89/18/28/1003891828.db2.gz LOGXUIBWUQPJKN-WBVHZDCISA-N 0 0 363.477 2.983 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1 ZINC000804966998 1003919631 /nfs/dbraw/zinc/91/96/31/1003919631.db2.gz IHHHTDRRAGYKDC-PXNSSMCTSA-N 0 0 374.529 2.537 20 10 FFCDRN O=C(NCCc1cc(O)c(O)cc1O)c1ccnc(Oc2ccccc2)c1 ZINC001191806597 1003963664 /nfs/dbraw/zinc/96/36/64/1003963664.db2.gz YZAMARSOZLBRKB-UHFFFAOYSA-N 0 0 366.373 2.963 20 10 FFCDRN COC(=O)c1cc(NS(=O)(=O)Cc2ccc(Cl)cc2F)ccc1O ZINC001191898308 1003993894 /nfs/dbraw/zinc/99/38/94/1003993894.db2.gz PLTAAEHAPJJPLO-UHFFFAOYSA-N 0 0 373.789 2.913 20 10 FFCDRN O=S(=O)(Cc1c(F)cccc1F)N1CCCc2cc(O)c(O)cc2C1 ZINC001197590601 1004289138 /nfs/dbraw/zinc/28/91/38/1004289138.db2.gz CKYXJIWJAPDQLU-UHFFFAOYSA-N 0 0 369.389 2.654 20 10 FFCDRN CC(=O)NCC[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000806432268 1004314271 /nfs/dbraw/zinc/31/42/71/1004314271.db2.gz IGKBJSYTPILGMR-IBGZPJMESA-N 0 0 372.513 2.735 20 10 FFCDRN COc1cc(C(=O)Nc2cc(C)nn2C(=O)OC(C)(C)C)cc(O)c1O ZINC001193080709 1004364427 /nfs/dbraw/zinc/36/44/27/1004364427.db2.gz CFYUQMPZFSOQRO-UHFFFAOYSA-N 0 0 363.370 2.647 20 10 FFCDRN COc1cc(C(=O)Nc2nccnc2OCc2ccccc2)cc(O)c1O ZINC001193081007 1004364930 /nfs/dbraw/zinc/36/49/30/1004364930.db2.gz HRNUMLODEIRLLN-UHFFFAOYSA-N 0 0 367.361 2.728 20 10 FFCDRN COc1cccc2c1SC[C@H](NC(=O)c1cc(O)c(O)c(OC)c1)C2 ZINC001193120380 1004380696 /nfs/dbraw/zinc/38/06/96/1004380696.db2.gz VRKSDQTUSONOEP-GFCCVEGCSA-N 0 0 361.419 2.562 20 10 FFCDRN CN(C)c1ccc(-c2nc(C(=O)N[C@@H]3CCc4n[nH]cc4C3)cs2)cc1 ZINC001193176273 1004385903 /nfs/dbraw/zinc/38/59/03/1004385903.db2.gz RWPYTRPBDWTVIW-CQSZACIVSA-N 0 0 367.478 2.887 20 10 FFCDRN COc1cc(C(=O)NCCc2cc(Br)cs2)cc(O)c1O ZINC001193131623 1004386653 /nfs/dbraw/zinc/38/66/53/1004386653.db2.gz IPNVDVZWBZTIJG-UHFFFAOYSA-N 0 0 372.240 2.903 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000806737369 1004403110 /nfs/dbraw/zinc/40/31/10/1004403110.db2.gz XUUCZUHEDOIZML-HNNXBMFYSA-N 0 0 369.465 2.563 20 10 FFCDRN Cc1noc(C2(NC(=O)c3csc(-c4ccc(N(C)C)cc4)n3)CC2)n1 ZINC001193179373 1004408412 /nfs/dbraw/zinc/40/84/12/1004408412.db2.gz PYZORYQIFBDKHK-UHFFFAOYSA-N 0 0 369.450 2.987 20 10 FFCDRN COc1cccc(C(C)(C)CNC(=O)c2ccc(O)c(O)c2Cl)n1 ZINC001193247024 1004418111 /nfs/dbraw/zinc/41/81/11/1004418111.db2.gz IFFSSRZPIBEFCV-UHFFFAOYSA-N 0 0 350.802 2.862 20 10 FFCDRN COCCCOc1ccc(CNC(=O)NCc2cc(OC)ccc2O)cc1 ZINC000806810953 1004421932 /nfs/dbraw/zinc/42/19/32/1004421932.db2.gz PLKRZRUJEZPJKC-UHFFFAOYSA-N 0 0 374.437 2.816 20 10 FFCDRN COc1cc(C)c(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c(C)c1C ZINC000806831240 1004433168 /nfs/dbraw/zinc/43/31/68/1004433168.db2.gz SREGEOVVHYPKHY-UHFFFAOYSA-N 0 0 369.465 2.941 20 10 FFCDRN Cc1cc(C(=O)CN2CCS(=O)(=O)CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000763858186 1004506360 /nfs/dbraw/zinc/50/63/60/1004506360.db2.gz ZYDBURXRLFYVAE-HNNXBMFYSA-N 0 0 374.506 2.786 20 10 FFCDRN CCOc1cc(C(N)=O)ccc1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193612686 1004522806 /nfs/dbraw/zinc/52/28/06/1004522806.db2.gz RLMBBGUGHCQSLW-UHFFFAOYSA-N 0 0 350.758 2.501 20 10 FFCDRN C[C@H](NC(=O)C(=O)N1CC[C@@H]1c1ccccc1)c1ccc(N(C)C)cc1 ZINC000807671451 1004657341 /nfs/dbraw/zinc/65/73/41/1004657341.db2.gz PFACFQGYGCIOPR-HNAYVOBHSA-N 0 0 351.450 2.903 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N(C)OCc1ccccc1)c1ccc(N(C)C)cc1 ZINC000807675276 1004658723 /nfs/dbraw/zinc/65/87/23/1004658723.db2.gz VYHRQGLNYAHMLV-OAHLLOKOSA-N 0 0 355.438 2.520 20 10 FFCDRN COCCn1cnc(C(=O)N[C@H]2c3c(c(C)cc(C)c3O)CC2(C)C)c1 ZINC001194674663 1004790798 /nfs/dbraw/zinc/79/07/98/1004790798.db2.gz ASDIHGDEJGHFHV-SFHVURJKSA-N 0 0 357.454 2.905 20 10 FFCDRN O=C(NCCc1cc(O)c(O)cc1O)c1cccn1Cc1ccccc1 ZINC001199778806 1005026277 /nfs/dbraw/zinc/02/62/77/1005026277.db2.gz VESLJXVKCWJZDT-UHFFFAOYSA-N 0 0 352.390 2.626 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cc(F)c(F)c(F)c2)cc1 ZINC000121412729 1005027479 /nfs/dbraw/zinc/02/74/79/1005027479.db2.gz QSGOGZAVRKMUJF-UHFFFAOYSA-N 0 0 365.355 2.767 20 10 FFCDRN Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccc(Cl)c1O ZINC001195883152 1005068539 /nfs/dbraw/zinc/06/85/39/1005068539.db2.gz UTEZGSMXEFQADW-UHFFFAOYSA-N 0 0 356.787 2.741 20 10 FFCDRN C[C@@H](NC(=O)N[C@H]1CCOC2(CCOCC2)C1)c1ccc(N(C)C)cc1 ZINC000776169491 1005214712 /nfs/dbraw/zinc/21/47/12/1005214712.db2.gz KEKVQMOAEJMXBS-WBVHZDCISA-N 0 0 361.486 2.841 20 10 FFCDRN C[C@H](NC(=O)NC[C@@]1(O)CCc2ccccc21)c1ccc(N(C)C)cc1 ZINC000776249342 1005318574 /nfs/dbraw/zinc/31/85/74/1005318574.db2.gz NBZDFKPIKRFAOH-BTYIYWSLSA-N 0 0 353.466 2.947 20 10 FFCDRN Cc1cccc(OCC(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000007183060 1005768424 /nfs/dbraw/zinc/76/84/24/1005768424.db2.gz TUURMISBMWKTRV-UHFFFAOYSA-N 0 0 370.449 2.642 20 10 FFCDRN C[C@H]1C[C@H](NCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c2ncnn21 ZINC000850352156 1005809392 /nfs/dbraw/zinc/80/93/92/1005809392.db2.gz NJRLRWNYJIVNGA-ZFWWWQNUSA-N 0 0 356.430 2.972 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1c(C)cnn1CC ZINC000850447381 1005816204 /nfs/dbraw/zinc/81/62/04/1005816204.db2.gz GIAPZETWGZVHQZ-UHFFFAOYSA-N 0 0 358.442 2.684 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N2CCC[C@@H](C3CCC3)C2)cc1 ZINC000850601136 1005824865 /nfs/dbraw/zinc/82/48/65/1005824865.db2.gz BJDMWRVYZHYOKR-GOSISDBHSA-N 0 0 357.498 2.750 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCC[C@H](CCF)C1 ZINC000850601871 1005825119 /nfs/dbraw/zinc/82/51/19/1005825119.db2.gz KTJOFNLJCPGXEN-MRXNPFEDSA-N 0 0 363.477 2.699 20 10 FFCDRN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](C3CCCCC3)C1)cc2=O ZINC000851709403 1005907610 /nfs/dbraw/zinc/90/76/10/1005907610.db2.gz NPHGAJFJRNRGMA-CQSZACIVSA-N 0 0 358.442 2.925 20 10 FFCDRN COc1ccccc1CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851905954 1005921840 /nfs/dbraw/zinc/92/18/40/1005921840.db2.gz JFVSCPYICAAURI-UHFFFAOYSA-N 0 0 369.465 2.656 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCCOc3ccccc3)C2)cc1 ZINC000851907430 1005921910 /nfs/dbraw/zinc/92/19/10/1005921910.db2.gz IGLIVMWGMHIWAS-INIZCTEOSA-N 0 0 355.438 2.652 20 10 FFCDRN Cc1ccc(CCNC(=O)NCc2ccc(N3CCC(O)CC3)cc2)o1 ZINC000851958920 1005926754 /nfs/dbraw/zinc/92/67/54/1005926754.db2.gz LBXWLVPTUBEJAV-UHFFFAOYSA-N 0 0 357.454 2.591 20 10 FFCDRN COC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)C1CCOCC1 ZINC000851987068 1005929536 /nfs/dbraw/zinc/92/95/36/1005929536.db2.gz 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CO[C@@H]1COCC[C@H]1N(C)c1nnc(C2SC=CC2=O)n1CC(C)C ZINC001122833139 1023502026 /nfs/dbraw/zinc/50/20/26/1023502026.db2.gz NNZOSWPMOSKSFJ-TZMCWYRMSA-N 0 0 366.487 2.608 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C(C)C)no1 ZINC001137816816 1033140915 /nfs/dbraw/zinc/14/09/15/1033140915.db2.gz RXIILXSFLLZEMC-UHFFFAOYSA-N 0 0 366.801 2.972 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc3ccn(C)c32)cc1F ZINC000190499541 1023647991 /nfs/dbraw/zinc/64/79/91/1023647991.db2.gz IDYUGNPTZRLCMA-UHFFFAOYSA-N 0 0 368.412 2.638 20 10 FFCDRN CCOC1CC(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000190542604 1023652313 /nfs/dbraw/zinc/65/23/13/1023652313.db2.gz FWCFOOAMWZUWOK-UHFFFAOYSA-N 0 0 364.461 2.608 20 10 FFCDRN CC(C)[C@H]1CCN(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000755931961 1023653109 /nfs/dbraw/zinc/65/31/09/1023653109.db2.gz CLTABAJLJBAMFX-ROUUACIJSA-N 0 0 372.513 2.576 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1 ZINC000780333090 1023662919 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20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)c1 ZINC000756415964 1023707899 /nfs/dbraw/zinc/70/78/99/1023707899.db2.gz NFJGSKRTELMBKE-CQSZACIVSA-N 0 0 355.438 2.893 20 10 FFCDRN CC[C@](C)(O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCCO1 ZINC001123291267 1023725979 /nfs/dbraw/zinc/72/59/79/1023725979.db2.gz HYHYAVGQNKKLMC-JXFKEZNVSA-N 0 0 374.485 2.807 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1cc(F)cc(F)c1[O-] ZINC000756571392 1023729182 /nfs/dbraw/zinc/72/91/82/1023729182.db2.gz ZEENJMYZHOHTHR-YPMHNXCESA-N 0 0 361.392 2.699 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccc(-n3cncn3)c2)c1 ZINC000756588019 1023731747 /nfs/dbraw/zinc/73/17/47/1023731747.db2.gz DRWVEOBUGHZDQA-CYBMUJFWSA-N 0 0 352.394 2.610 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3ccc4cc[nH]c4n3)CC2)cc1 ZINC000779381295 1023759788 /nfs/dbraw/zinc/75/97/88/1023759788.db2.gz HDFMQWZZJKUHCN-UHFFFAOYSA-N 0 0 350.422 2.970 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2cnn(Cc3ccccn3)c2)c1 ZINC000756868006 1023761363 /nfs/dbraw/zinc/76/13/63/1023761363.db2.gz PIGAQEXJPGCVFA-ZDUSSCGKSA-N 0 0 352.394 2.992 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2C[C@@H]3C[C@@H](O)[C@@H]3C2)n1CC1CC1 ZINC001123422810 1023793321 /nfs/dbraw/zinc/79/33/21/1023793321.db2.gz DDQITESKROUBPO-YWTNHNAXSA-N 0 0 368.481 2.905 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(Cc2cc[nH]n2)n1C ZINC001121486087 1023803915 /nfs/dbraw/zinc/80/39/15/1023803915.db2.gz JBQGEFRNSCWYRC-UHFFFAOYSA-N 0 0 365.485 2.756 20 10 FFCDRN Oc1cccc(F)c1CN1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001137834308 1033168347 /nfs/dbraw/zinc/16/83/47/1033168347.db2.gz BSUQPMIXEKKMGB-DFQSSKMNSA-N 0 0 365.445 2.706 20 10 FFCDRN C[C@H](NC(=O)NC1([C@H]2CCCO2)CCC1)c1ccc(N2CCOCC2)cc1 ZINC001123590582 1023887038 /nfs/dbraw/zinc/88/70/38/1023887038.db2.gz VREYUVLJWNHROF-QFBILLFUSA-N 0 0 373.497 2.985 20 10 FFCDRN COCCOc1ccc(CC(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000757945404 1023888134 /nfs/dbraw/zinc/88/81/34/1023888134.db2.gz LFBBPFSTJATFBO-UHFFFAOYSA-N 0 0 356.466 2.945 20 10 FFCDRN COc1cccc(CNC(=O)CC[C@@H]2[C@@H](C)Nc3ccnn3[C@@H]2C)c1O ZINC001123669522 1023930845 /nfs/dbraw/zinc/93/08/45/1023930845.db2.gz PYAZGHAIVUPIDU-UMVBOHGHSA-N 0 0 358.442 2.685 20 10 FFCDRN Cc1nc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2c([O-])cccc2F)cs1 ZINC001137835258 1033173479 /nfs/dbraw/zinc/17/34/79/1033173479.db2.gz ANTVACZQONDZCK-JKSUJKDBSA-N 0 0 361.442 2.672 20 10 FFCDRN CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779514079 1023947678 /nfs/dbraw/zinc/94/76/78/1023947678.db2.gz JQLXELUXFAUHAR-DPCFLFMUSA-N 0 0 369.417 2.744 20 10 FFCDRN CC(C)Oc1ccc(N(C)Cc2cnc(N3CCN(C)CC3)nc2)cc1 ZINC000192036979 1023959594 /nfs/dbraw/zinc/95/95/94/1023959594.db2.gz HGQLGUCLRGQLJJ-UHFFFAOYSA-N 0 0 355.486 2.652 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3cc(C(F)F)on3)C2)cc1 ZINC001123734856 1023977478 /nfs/dbraw/zinc/97/74/78/1023977478.db2.gz PXWHIFMXKIJRNR-NSHDSACASA-N 0 0 366.368 2.699 20 10 FFCDRN Cc1cc(CCNC(=O)N[C@H](CO)CC(F)F)c(C)n1-c1ccccc1 ZINC000758300061 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359.422 2.728 20 10 FFCDRN CC(C)c1csc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000192825997 1024285149 /nfs/dbraw/zinc/28/51/49/1024285149.db2.gz KGLUNAOKAIIXOG-UHFFFAOYSA-N 0 0 372.494 2.904 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccn1 ZINC000079855056 1024389455 /nfs/dbraw/zinc/38/94/55/1024389455.db2.gz MAJQJSRWMHDSEH-INIZCTEOSA-N 0 0 368.481 2.851 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2cnc3ccccc3c2)cc1 ZINC000080271964 1024527017 /nfs/dbraw/zinc/52/70/17/1024527017.db2.gz YHTBNLHVNUYTAU-UHFFFAOYSA-N 0 0 362.433 2.898 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2C)[C@]12CCCO2 ZINC000759318813 1024559455 /nfs/dbraw/zinc/55/94/55/1024559455.db2.gz KSSSLWDYELIGKW-NLWGTHIKSA-N 0 0 361.486 2.587 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccccc1)OC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000759578277 1024670600 /nfs/dbraw/zinc/67/06/00/1024670600.db2.gz GRGPVFIENNQGHE-CKDFRHGISA-N 0 0 356.374 2.829 20 10 FFCDRN Cc1ccccc1CNC(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000759588037 1024676584 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Cc1cc(C)c(NC(=S)NCc2ccc(S(C)(=O)=O)cn2)c(C)c1 ZINC001249739062 1040974021 /nfs/dbraw/zinc/97/40/21/1040974021.db2.gz OKDFYCHNGNOVDJ-UHFFFAOYSA-N 0 0 363.508 2.897 20 10 FFCDRN CC(C)[C@H](C)N(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CC1 ZINC001261089848 1040997521 /nfs/dbraw/zinc/99/75/21/1040997521.db2.gz ZUUZTPRDDJSYSR-INIZCTEOSA-N 0 0 355.482 2.715 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1F)c1ccc(N(C)C)cc1 ZINC001261113202 1041012030 /nfs/dbraw/zinc/01/20/30/1041012030.db2.gz POPJKCSDKFAVKQ-CQSZACIVSA-N 0 0 357.429 2.728 20 10 FFCDRN COC1(CC(=O)N2CC3(CN(Cc4ccc(Cl)cc4O)C3)C2)CCC1 ZINC001278554680 1041133853 /nfs/dbraw/zinc/13/38/53/1041133853.db2.gz ZAVPBVVWOWSAQD-UHFFFAOYSA-N 0 0 364.873 2.649 20 10 FFCDRN CN(c1c(F)ccc(O)c1Cl)S(=O)(=O)CCc1ccc(N)cc1 ZINC001250233359 1041149821 /nfs/dbraw/zinc/14/98/21/1041149821.db2.gz NROZZHCCULTCBI-UHFFFAOYSA-N 0 0 358.822 2.776 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)C1CCCC1 ZINC001255148105 1041171849 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CCOC(=O)c1snnc1-c1nc(-c2cncc(C(F)(F)F)c2)no1 ZINC001214861883 1041598561 /nfs/dbraw/zinc/59/85/61/1041598561.db2.gz SGTYREAJJACZCS-UHFFFAOYSA-N 0 0 371.300 2.846 20 10 FFCDRN O=C(NCc1c(O)cccc1F)C(=O)Nc1ccc2c(c1)C(=O)CCCC2 ZINC001262744161 1041827485 /nfs/dbraw/zinc/82/74/85/1041827485.db2.gz HIZRXAXZDUCDKW-UHFFFAOYSA-N 0 0 370.380 2.695 20 10 FFCDRN CC[C@H](C)[C@@H](NC(=O)C(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC001262776539 1041849403 /nfs/dbraw/zinc/84/94/03/1041849403.db2.gz HCKJZQLVLKPZPU-QPUJVOFHSA-N 0 0 366.767 2.755 20 10 FFCDRN CSc1ncc(N(C)S(=O)(=O)CCc2ccc(N)cc2)cc1C ZINC001215830379 1041892819 /nfs/dbraw/zinc/89/28/19/1041892819.db2.gz DAKHIPDNLCCQTH-UHFFFAOYSA-N 0 0 351.497 2.703 20 10 FFCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CC[C@@H]2OCCC[C@@H]2C1 ZINC001262927134 1041967751 /nfs/dbraw/zinc/96/77/51/1041967751.db2.gz YSZBPNONRVCNBF-YPMHNXCESA-N 0 0 371.466 2.803 20 10 FFCDRN Cn1nc(CNC(=O)c2csc(Cc3ccc(N)cc3)n2)cc1C1CC1 ZINC001263224642 1042181606 /nfs/dbraw/zinc/18/16/06/1042181606.db2.gz 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ZINC001237204388 1043052383 /nfs/dbraw/zinc/05/23/83/1043052383.db2.gz ZPVZZJNPOZQWLO-UHFFFAOYSA-N 0 0 362.470 2.693 20 10 FFCDRN COCCCNC(=O)[C@@H]1CC12CCN(c1ccc(OC)c(F)c1)CC2 ZINC001278075551 1043085245 /nfs/dbraw/zinc/08/52/45/1043085245.db2.gz PZRZWDWVTXYKTB-HNNXBMFYSA-N 0 0 350.434 2.594 20 10 FFCDRN O=C(CCc1ccc[nH]1)N1CC2(C1)C[NH+](Cc1cccc(Cl)c1[O-])C2 ZINC001279443070 1043118260 /nfs/dbraw/zinc/11/82/60/1043118260.db2.gz VXXUJEXCPSEAPO-UHFFFAOYSA-N 0 0 359.857 2.651 20 10 FFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCN(Cc3cccnc3)C2=O)C1 ZINC001237488824 1043203271 /nfs/dbraw/zinc/20/32/71/1043203271.db2.gz RQAGJESWPWAQPU-OAQYLSRUSA-N 0 0 351.450 2.720 20 10 FFCDRN Cc1cc(O)c(CN2CCN(c3ncccn3)CC2)cc1Br ZINC001237676281 1043304606 /nfs/dbraw/zinc/30/46/06/1043304606.db2.gz HUPKYSPEIXYTLB-UHFFFAOYSA-N 0 0 363.259 2.575 20 10 FFCDRN Cc1cc(O)c(C[N@H+]2CCC[C@H](C(=O)N(C)C)C2)cc1Br ZINC001237679561 1043307309 /nfs/dbraw/zinc/30/73/09/1043307309.db2.gz RAHHFNSJCGFHCK-LBPRGKRZSA-N 0 0 355.276 2.763 20 10 FFCDRN Cc1cc(O)c(CN2CCC[C@@]3(CNC(=O)O3)C2)cc1Br ZINC001237680876 1043307398 /nfs/dbraw/zinc/30/73/98/1043307398.db2.gz FKBMVAUKNSGETO-OAHLLOKOSA-N 0 0 355.232 2.538 20 10 FFCDRN [O-]c1c(I)cccc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001237777955 1043351021 /nfs/dbraw/zinc/35/10/21/1043351021.db2.gz QPUMDJPDHIEQJT-BXUZGUMPSA-N 0 0 373.234 2.998 20 10 FFCDRN Oc1c(I)cccc1CN1CCCCC12COC2 ZINC001237779374 1043352688 /nfs/dbraw/zinc/35/26/88/1043352688.db2.gz FQDLWLAELRYODD-UHFFFAOYSA-N 0 0 359.207 2.752 20 10 FFCDRN CC(C)[C@H]1COCCN1Cc1cccc(I)c1O ZINC001237778905 1043354187 /nfs/dbraw/zinc/35/41/87/1043354187.db2.gz CVNUSIHYLZJYFI-CYBMUJFWSA-N 0 0 361.223 2.854 20 10 FFCDRN [O-]c1c(Cl)cc(F)cc1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001237800750 1043366672 /nfs/dbraw/zinc/36/66/72/1043366672.db2.gz AXGZSEIEUGXJLM-UHFFFAOYSA-N 0 0 357.216 2.950 20 10 FFCDRN [NH3+]C1CN(c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 ZINC001237813917 1043376075 /nfs/dbraw/zinc/37/60/75/1043376075.db2.gz RCCPGJKNYYHDTI-UHFFFAOYSA-N 0 0 372.277 2.942 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@]3(CN(C)CCO3)C2)c1 ZINC001279648559 1043398721 /nfs/dbraw/zinc/39/87/21/1043398721.db2.gz JEHHZXUMXTWTEY-KRWDZBQOSA-N 0 0 369.303 2.760 20 10 FFCDRN COc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N3C2CCCC2)c([O-])c1Cl ZINC001279665367 1043430443 /nfs/dbraw/zinc/43/04/43/1043430443.db2.gz JOAJSNLAMVKGTD-IYBDPMFKSA-N 0 0 366.889 2.882 20 10 FFCDRN Oc1cc(Cl)c(F)cc1CN1CCn2c(COCC3CC3)nnc2C1 ZINC001237938725 1043443245 /nfs/dbraw/zinc/44/32/45/1043443245.db2.gz NZQMCMUJAUXBCT-UHFFFAOYSA-N 0 0 366.824 2.719 20 10 FFCDRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3cc(F)c(Cl)cc3O)[C@@H]2C1 ZINC001237936573 1043443387 /nfs/dbraw/zinc/44/33/87/1043443387.db2.gz JSAAICMWJQSGPB-UXEPBGEESA-N 0 0 370.852 2.689 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)CC[C@H]1CCCCO1 ZINC001309595016 1043448417 /nfs/dbraw/zinc/44/84/17/1043448417.db2.gz OFVYNJQPFDPZCT-QFBILLFUSA-N 0 0 368.543 2.871 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)c2cccc(F)c2F)cc1 ZINC001309647037 1043467435 /nfs/dbraw/zinc/46/74/35/1043467435.db2.gz HGRGHUXQKBCBIH-UHFFFAOYSA-N 0 0 370.421 2.730 20 10 FFCDRN O=c1ccc2cc(S(=O)(=O)NCc3cc(Cl)ccc3O)ccc2o1 ZINC001309654732 1043470802 /nfs/dbraw/zinc/47/08/02/1043470802.db2.gz NNXRWIXETLLNDC-UHFFFAOYSA-N 0 0 365.794 2.631 20 10 FFCDRN Cc1cc(C)cc(C(=O)c2ccccc2[N-]S(=O)(=O)[C@@H]2CC[NH2+]C2)c1 ZINC001237989117 1043471279 /nfs/dbraw/zinc/47/12/79/1043471279.db2.gz ZGZOGXDCVRLKPS-MRXNPFEDSA-N 0 0 358.463 2.638 20 10 FFCDRN [NH3+]C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])c1ccccc1 ZINC001238020594 1043488241 /nfs/dbraw/zinc/48/82/41/1043488241.db2.gz AGBSJPCXXNYCMZ-GFCCVEGCSA-N 0 0 361.250 2.677 20 10 FFCDRN CCn1ccnc1CN1C[C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3[O-])[C@@H]2C1 ZINC001279697692 1043488849 /nfs/dbraw/zinc/48/88/49/1043488849.db2.gz RPWMKJBUSZEORQ-XJKSGUPXSA-N 0 0 362.424 2.593 20 10 FFCDRN CC[C@@H](CS(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C)OC ZINC001309735475 1043502197 /nfs/dbraw/zinc/50/21/97/1043502197.db2.gz QCBYXHWUAMRMFQ-IBGZPJMESA-N 0 0 364.511 2.981 20 10 FFCDRN CN(C)c1ccc(CN2CCc3cc(C(=O)NCC(F)F)[nH]c3C2)cc1 ZINC001279744918 1043575569 /nfs/dbraw/zinc/57/55/69/1043575569.db2.gz YERMDYVODNUJKR-UHFFFAOYSA-N 0 0 362.424 2.634 20 10 FFCDRN C[C@H]([NH2+]CC1(N2CCOCC2)CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756353445 1043592068 /nfs/dbraw/zinc/59/20/68/1043592068.db2.gz ZFJGJTUOODFBHH-HNNXBMFYSA-N 0 0 363.458 2.986 20 10 FFCDRN COc1cc(C[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C(=O)[O-])cc(OC)c1 ZINC000756364713 1043599005 /nfs/dbraw/zinc/59/90/05/1043599005.db2.gz PHZAXKHQNDRSSB-LJQANCHMSA-N 0 0 358.438 2.555 20 10 FFCDRN COc1ccc(N2C[C@H]3CC[C@@H](C2)N3C(=O)Cn2cc(Cl)cn2)c(C)c1 ZINC001279767627 1043611100 /nfs/dbraw/zinc/61/11/00/1043611100.db2.gz AWKPYRMEWRZBTC-IYBDPMFKSA-N 0 0 374.872 2.733 20 10 FFCDRN CNC(=O)c1cc(NC(=O)NCc2c(O)cccc2F)ccc1Cl ZINC001310159273 1043646103 /nfs/dbraw/zinc/64/61/03/1043646103.db2.gz CSWDRZSAIPDSSS-UHFFFAOYSA-N 0 0 351.765 2.866 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2C)[C@@H]1SC ZINC001311945508 1044007358 /nfs/dbraw/zinc/00/73/58/1044007358.db2.gz VTQUGNQYBJYJEI-ZACQAIPSSA-N 0 0 351.516 2.769 20 10 FFCDRN O=C(Nc1nnco1)C12CC([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])(C1)C2 ZINC001279972173 1044011755 /nfs/dbraw/zinc/01/17/55/1044011755.db2.gz MSBJBHOLCMNOON-UHFFFAOYSA-N 0 0 369.208 2.733 20 10 FFCDRN CN([C@@H]1CCCC[C@H]1[NH3+])S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001239124013 1044041173 /nfs/dbraw/zinc/04/11/73/1044041173.db2.gz UQLJYJDCNQSEGU-GHMZBOCLSA-N 0 0 353.271 2.589 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)cc1 ZINC001312215215 1044071773 /nfs/dbraw/zinc/07/17/73/1044071773.db2.gz YSMGTAKOVSGVOJ-SZVBFZGTSA-N 0 0 372.513 2.684 20 10 FFCDRN CC(C)(C)NC(=O)[C@H]1C[N@H+](Cc2c([O-])cccc2F)C[C@H]2CCCO[C@H]21 ZINC001280006863 1044078323 /nfs/dbraw/zinc/07/83/23/1044078323.db2.gz SWANOKDAAPYDOG-QIIPPGSGSA-N 0 0 364.461 2.673 20 10 FFCDRN CCN(C(=O)[C@H]1COCCC12C[NH+](Cc1c([O-])cccc1F)C2)C(C)C ZINC001280009557 1044084839 /nfs/dbraw/zinc/08/48/39/1044084839.db2.gz UTGOAEXZFMNUMV-MRXNPFEDSA-N 0 0 364.461 2.627 20 10 FFCDRN Cc1cc(F)cc(CN2CC3(CCN3C(=O)Nc3cccnc3)C2)c1O ZINC001280027555 1044100795 /nfs/dbraw/zinc/10/07/95/1044100795.db2.gz DULQWWZXTSGZSV-UHFFFAOYSA-N 0 0 356.401 2.727 20 10 FFCDRN CN(C)c1ccc(CN2CC3(C[C@@H]3C(=O)Nc3cn[nH]c3)C2)c(Cl)c1 ZINC001280043480 1044127577 /nfs/dbraw/zinc/12/75/77/1044127577.db2.gz PFQWGODEFCHORS-OAHLLOKOSA-N 0 0 359.861 2.590 20 10 FFCDRN CN(C)c1ccc(CN2CC[C@H]3C[C@]32C(=O)N2CCCCO2)c(Cl)c1 ZINC001280044494 1044129017 /nfs/dbraw/zinc/12/90/17/1044129017.db2.gz KKZMCQHDFHAZSJ-HNAYVOBHSA-N 0 0 363.889 2.924 20 10 FFCDRN CCN(C(=O)c1n[nH]c2c1CCN(Cc1ccc(C)cc1O)C2)C(C)C ZINC001280047045 1044134493 /nfs/dbraw/zinc/13/44/93/1044134493.db2.gz VQYVRCFWDDZPNL-UHFFFAOYSA-N 0 0 356.470 2.853 20 10 FFCDRN Cc1cc(CNC(=O)N2CCO[C@H]([C@@H](C)O)C2)c(C)n1-c1cccc(C)c1 ZINC001313133699 1044245882 /nfs/dbraw/zinc/24/58/82/1044245882.db2.gz UWNFTSDKUDYJGF-XLIONFOSSA-N 0 0 371.481 2.694 20 10 FFCDRN Cn1ccc(-c2nc([Si](C)(C)C)ccc2NC(=O)C(C)(C)C)cc1=O ZINC001240977092 1044470264 /nfs/dbraw/zinc/47/02/64/1044470264.db2.gz DIDNGEZLDLJZFI-UHFFFAOYSA-N 0 0 357.530 2.977 20 10 FFCDRN CCOC(=O)c1ncnc(C(=O)OCC)c1-c1cccc2c1ccn2C ZINC001241824661 1044612562 /nfs/dbraw/zinc/61/25/62/1044612562.db2.gz UXDIKKKFBZJXEV-UHFFFAOYSA-N 0 0 353.378 2.989 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]Cc2ccccc2Cn2cncn2)c1[O-] ZINC000725847500 1044672356 /nfs/dbraw/zinc/67/23/56/1044672356.db2.gz OEGQWISPCUKQOA-UHFFFAOYSA-N 0 0 373.800 2.883 20 10 FFCDRN O=C([O-])C1CCC([NH2+]Cc2cc(F)c(N3CCOCC3)c(F)c2)CC1 ZINC001574651923 1078048289 /nfs/dbraw/zinc/04/82/89/1078048289.db2.gz OBKURWQUCFQKBQ-UHFFFAOYSA-N 0 0 354.397 2.534 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCn1nc(C)c([N+](=O)[O-])c1C ZINC000726530278 1044848522 /nfs/dbraw/zinc/84/85/22/1044848522.db2.gz FTWFNTPYGBTWIV-UHFFFAOYSA-N 0 0 373.457 2.913 20 10 FFCDRN CCCCn1c2nc(-c3ccc(N4CCCC4)cc3)n(C)c2c(=O)[nH]c1=O ZINC001317889295 1045162779 /nfs/dbraw/zinc/16/27/79/1045162779.db2.gz IUJYINVUGUKPMY-UHFFFAOYSA-N 0 0 367.453 2.903 20 10 FFCDRN CCOc1ccc(N2CCN([C@@H](C(=O)OC)c3cccnc3)CC2)cc1 ZINC001319611695 1045213064 /nfs/dbraw/zinc/21/30/64/1045213064.db2.gz HYLPDIVCTOOWGK-LJQANCHMSA-N 0 0 355.438 2.517 20 10 FFCDRN C[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)n1ccnc1 ZINC001318167512 1045233620 /nfs/dbraw/zinc/23/36/20/1045233620.db2.gz HRPKESHFUPIWQR-ZDUSSCGKSA-N 0 0 364.396 2.831 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Nc3c(C)nn(C)c3C)CC2)cc1 ZINC001319868591 1045288890 /nfs/dbraw/zinc/28/88/90/1045288890.db2.gz MWXGYCFVNYRACT-UHFFFAOYSA-N 0 0 357.458 2.836 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cncc(OCC(F)F)c2)cc1F ZINC001319879768 1045292340 /nfs/dbraw/zinc/29/23/40/1045292340.db2.gz NHZDNXNOFCBTAP-UHFFFAOYSA-N 0 0 353.344 2.861 20 10 FFCDRN C[C@@H](CCNC(=O)/C=C\c1ccc(O)c(O)c1)N(C)C(=O)OC(C)(C)C ZINC001319921924 1045304178 /nfs/dbraw/zinc/30/41/78/1045304178.db2.gz IPYMTFZONKZZHV-JWJUJFCLSA-N 0 0 364.442 2.873 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)/C=C\c3cncc(O)c3)CC2)cc1 ZINC001319927056 1045305063 /nfs/dbraw/zinc/30/50/63/1045305063.db2.gz GTZYUVPLOJRBSF-BAQGIRSFSA-N 0 0 353.422 2.548 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)CC(C)(CO)CO)c1 ZINC001319950603 1045310917 /nfs/dbraw/zinc/31/09/17/1045310917.db2.gz WHRGJMNZWAFPDN-UHFFFAOYSA-N 0 0 364.873 2.810 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CONC(=O)OC(C)(C)C ZINC001539467862 1070644268 /nfs/dbraw/zinc/64/42/68/1070644268.db2.gz GKYJNBYEUKOAID-UHFFFAOYSA-N 0 0 363.458 2.702 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCSc3ccccc32)cc1 ZINC001321350946 1045637301 /nfs/dbraw/zinc/63/73/01/1045637301.db2.gz YRAWRCVEQPXRPZ-KRWDZBQOSA-N 0 0 369.490 2.722 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C1CC1)C1CC1 ZINC001321365916 1045641793 /nfs/dbraw/zinc/64/17/93/1045641793.db2.gz BNJGMPFIFSSTIG-INIZCTEOSA-N 0 0 361.438 2.515 20 10 FFCDRN CNC(=O)Cc1ccccc1NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001321387499 1045650355 /nfs/dbraw/zinc/65/03/55/1045650355.db2.gz UQPSXTMEALBGGV-AWEZNQCLSA-N 0 0 354.454 2.924 20 10 FFCDRN O=C(N[C@@H]1[C@@H]2CCC[C@@H]21)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC001323862920 1045755562 /nfs/dbraw/zinc/75/55/62/1045755562.db2.gz DZNPEOZBWLDDBF-IZZQQSIFSA-N 0 0 356.466 2.968 20 10 FFCDRN COc1cc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)ccn1 ZINC001321887143 1045857063 /nfs/dbraw/zinc/85/70/63/1045857063.db2.gz CCNFQURANDNZMK-ZIAGYGMSSA-N 0 0 373.428 2.773 20 10 FFCDRN C[C@H](c1ccco1)N(C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)C1CC1 ZINC001321988227 1045902913 /nfs/dbraw/zinc/90/29/13/1045902913.db2.gz QYXQWDMIIRRLIM-CYBMUJFWSA-N 0 0 373.428 2.853 20 10 FFCDRN CN1C[C@H](CN(Cc2cccs2)c2ccc3c(c2)OCCO3)OC1=O ZINC001324213195 1045919894 /nfs/dbraw/zinc/91/98/94/1045919894.db2.gz IYOGUUZPALZFAY-CQSZACIVSA-N 0 0 360.435 2.977 20 10 FFCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)n1ccnc1 ZINC001322290211 1046032318 /nfs/dbraw/zinc/03/23/18/1046032318.db2.gz NTUTZHALBPZFAL-QFBILLFUSA-N 0 0 356.470 2.718 20 10 FFCDRN CC[C@@H]1CC[C@H](C)N1C(=O)C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC001322442802 1046086879 /nfs/dbraw/zinc/08/68/79/1046086879.db2.gz RXHQMPXUWVKFKB-DOTOQJQBSA-N 0 0 373.497 2.570 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Cc3c[nH]c4cnccc34)CC2)cc1 ZINC001324673211 1046159891 /nfs/dbraw/zinc/15/98/91/1046159891.db2.gz JPFOBUXFDKQURN-UHFFFAOYSA-N 0 0 364.449 2.899 20 10 FFCDRN CNC(=O)c1cccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001324775980 1046218937 /nfs/dbraw/zinc/21/89/37/1046218937.db2.gz LVFDBNZHJVSXJB-UHFFFAOYSA-N 0 0 356.445 2.549 20 10 FFCDRN CN(CCC1CC1)C(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001324786341 1046225685 /nfs/dbraw/zinc/22/56/85/1046225685.db2.gz KPQXOTXQKLHXAA-UHFFFAOYSA-N 0 0 356.422 2.773 20 10 FFCDRN CCOc1ccc(N2CCN(CC(=O)NCc3sccc3C)CC2)cc1 ZINC001323032305 1046315494 /nfs/dbraw/zinc/31/54/94/1046315494.db2.gz CXZJZIWEARWQRB-UHFFFAOYSA-N 0 0 373.522 2.894 20 10 FFCDRN C=CC(=O)Nc1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000727996838 1046334205 /nfs/dbraw/zinc/33/42/05/1046334205.db2.gz WQMISWMKKOAMAC-UHFFFAOYSA-N 0 0 351.406 2.900 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCCC2(CCOCC2)C1 ZINC001325189233 1046409481 /nfs/dbraw/zinc/40/94/81/1046409481.db2.gz NOWOVLAZCYOCRV-UHFFFAOYSA-N 0 0 374.481 2.550 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C(/C)c1ccccc1 ZINC001325381969 1046490269 /nfs/dbraw/zinc/49/02/69/1046490269.db2.gz DIIDWFUHDNFWSC-IFCKCIONSA-N 0 0 369.417 2.792 20 10 FFCDRN CS(=O)(=O)c1ccc(NCc2ccc(N3CCSCC3)cc2)nc1 ZINC001325552282 1046550317 /nfs/dbraw/zinc/55/03/17/1046550317.db2.gz GLMUPDKSKZTGCO-UHFFFAOYSA-N 0 0 363.508 2.650 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)C1CCCCC1 ZINC001325944490 1046695536 /nfs/dbraw/zinc/69/55/36/1046695536.db2.gz CAAMCWLKUAHOGI-MRXNPFEDSA-N 0 0 355.482 2.764 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCC[C@@H](F)C3)CC2)cc1F ZINC001326299045 1046857670 /nfs/dbraw/zinc/85/76/70/1046857670.db2.gz MHHCYXMHTATKFU-ZIAGYGMSSA-N 0 0 353.413 2.947 20 10 FFCDRN CS(=O)(=O)c1ccc(NCc2cccc(Br)c2O)nc1 ZINC001326441355 1046934208 /nfs/dbraw/zinc/93/42/08/1046934208.db2.gz BZQGPSMCGPMTKI-UHFFFAOYSA-N 0 0 357.229 2.565 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H](C)CC(F)F ZINC001326450323 1046938248 /nfs/dbraw/zinc/93/82/48/1046938248.db2.gz DXPCPWACXFHYJN-CYBMUJFWSA-N 0 0 355.429 2.509 20 10 FFCDRN COc1ccc(CN2CC[C@@H]2C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC001540494622 1070907754 /nfs/dbraw/zinc/90/77/54/1070907754.db2.gz YLIOJVJRPNXRNY-HXUWFJFHSA-N 0 0 353.466 2.652 20 10 FFCDRN Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CCO[C@@H](C)C1 ZINC001289423657 1047670080 /nfs/dbraw/zinc/67/00/80/1047670080.db2.gz MQDVEOXBJYAUAP-HNNXBMFYSA-N 0 0 355.486 2.803 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CN1Cc2ccccc2C1=O ZINC001540567238 1070933194 /nfs/dbraw/zinc/93/31/94/1070933194.db2.gz FGDDMXXSNLBGCM-UHFFFAOYSA-N 0 0 363.461 2.901 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)Cc2ccn(C)n2)CCCC1 ZINC001289711961 1047723116 /nfs/dbraw/zinc/72/31/16/1047723116.db2.gz RGBNOKJWTXDZPS-UHFFFAOYSA-N 0 0 366.465 2.921 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC001327545021 1047941363 /nfs/dbraw/zinc/94/13/63/1047941363.db2.gz MBDVUWVDRARVTK-MRXNPFEDSA-N 0 0 371.868 2.597 20 10 FFCDRN CN(C)c1ccc(CN(C)c2cnc(I)nc2)cc1 ZINC001327605311 1047965215 /nfs/dbraw/zinc/96/52/15/1047965215.db2.gz XPVKRNDVHSTLKT-UHFFFAOYSA-N 0 0 368.222 2.784 20 10 FFCDRN COc1cc(C)cc(CNc2cccc(N3CCN(C(C)=O)CC3)c2)c1O ZINC001331549091 1047998047 /nfs/dbraw/zinc/99/80/47/1047998047.db2.gz OICVHAAFEJTPHP-UHFFFAOYSA-N 0 0 369.465 2.990 20 10 FFCDRN Cc1cc(C=O)c(O)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001290324756 1048016630 /nfs/dbraw/zinc/01/66/30/1048016630.db2.gz YJMJJQXFUUDQHZ-UHFFFAOYSA-N 0 0 368.433 2.622 20 10 FFCDRN Cc1cnc(C2CCN(C(=O)C(=O)N(C)Cc3ccccc3O)CC2)s1 ZINC001328482965 1048320709 /nfs/dbraw/zinc/32/07/09/1048320709.db2.gz AMHAHYOCSLSLNQ-UHFFFAOYSA-N 0 0 373.478 2.522 20 10 FFCDRN CN(C(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](CO)Cc1ccccc1 ZINC001328551946 1048351884 /nfs/dbraw/zinc/35/18/84/1048351884.db2.gz AAGLWYQPGLTKEI-HXUWFJFHSA-N 0 0 367.493 2.814 20 10 FFCDRN CN(C)c1cc(F)c(CNCc2cccc(N3CCOCC3)n2)cc1F ZINC001328705013 1048428035 /nfs/dbraw/zinc/42/80/35/1048428035.db2.gz WRCJUNXDUAWLDK-UHFFFAOYSA-N 0 0 362.424 2.552 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC001328980539 1048540742 /nfs/dbraw/zinc/54/07/42/1048540742.db2.gz JFFYXODSBSAWQS-HNNXBMFYSA-N 0 0 369.465 2.563 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@H]1C=CCCC1 ZINC001329062724 1048568001 /nfs/dbraw/zinc/56/80/01/1048568001.db2.gz UFMTUFXVYHSUMO-SFHVURJKSA-N 0 0 355.482 2.860 20 10 FFCDRN O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001332846582 1048588090 /nfs/dbraw/zinc/58/80/90/1048588090.db2.gz UFNWOCCSEGVVAL-DGCLKSJQSA-N 0 0 370.371 2.719 20 10 FFCDRN CC[C@@H]1c2ccccc2CC[N@H+]1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000737795682 1048657353 /nfs/dbraw/zinc/65/73/53/1048657353.db2.gz JQICVODVAJVRMV-MRXNPFEDSA-N 0 0 352.394 2.643 20 10 FFCDRN CC[NH+]1CCN(c2ccc(CNc3ccc(C(=O)[O-])cn3)cc2F)CC1 ZINC000737854504 1048659162 /nfs/dbraw/zinc/65/91/62/1048659162.db2.gz UUJVJWOVPYZCIZ-UHFFFAOYSA-N 0 0 358.417 2.673 20 10 FFCDRN O=C(C(=O)N1CC[C@@H]2C[C@@H]2C1)N(Cc1ccccc1O)C1CCCCC1 ZINC001333342509 1048847596 /nfs/dbraw/zinc/84/75/96/1048847596.db2.gz VCRXEUBXHATVAL-NVXWUHKLSA-N 0 0 356.466 2.922 20 10 FFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNc3nccc4cccnc43)cc2)C1 ZINC001333351658 1048854240 /nfs/dbraw/zinc/85/42/40/1048854240.db2.gz OANQEQASVNGTLT-KRWDZBQOSA-N 0 0 361.449 2.944 20 10 FFCDRN CC(C)(C)c1ccc(CNC(=O)C(=O)NCCc2ccc(N)cc2)s1 ZINC001333425555 1048897176 /nfs/dbraw/zinc/89/71/76/1048897176.db2.gz YLPVPVSVAYJHFZ-UHFFFAOYSA-N 0 0 359.495 2.603 20 10 FFCDRN C[C@H](NC(=O)C(=O)N1CCC2(CC2(F)F)CC1)c1ccc(N(C)C)cc1 ZINC001329826864 1048928187 /nfs/dbraw/zinc/92/81/87/1048928187.db2.gz NAJMQKNOTKBTIQ-ZDUSSCGKSA-N 0 0 365.424 2.578 20 10 FFCDRN CCNC(=O)c1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001541026803 1071044684 /nfs/dbraw/zinc/04/46/84/1071044684.db2.gz XMHOUMDMFWNLLI-UHFFFAOYSA-N 0 0 353.382 2.529 20 10 FFCDRN Oc1cc(Br)ccc1C[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC001333735421 1049090537 /nfs/dbraw/zinc/09/05/37/1049090537.db2.gz ZOEXMMHXWOUPKT-AWEZNQCLSA-N 0 0 356.260 2.518 20 10 FFCDRN CC1(C)OC[C@H](/C=C\C(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC001541080756 1071049518 /nfs/dbraw/zinc/04/95/18/1071049518.db2.gz NQNRUMWCUQLKLR-QWPQOLDESA-N 0 0 362.495 2.564 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCC1(F)F ZINC001330599026 1049222762 /nfs/dbraw/zinc/22/27/62/1049222762.db2.gz SAWDRNGBFYBDLK-STQMWFEESA-N 0 0 371.380 2.514 20 10 FFCDRN Cc1cc(C(=O)CN2CCC3(CCNC3=O)CC2)c(C)n1-c1ccccc1 ZINC001331172642 1049496721 /nfs/dbraw/zinc/49/67/21/1049496721.db2.gz JQALUNOKPVZXAN-UHFFFAOYSA-N 0 0 365.477 2.879 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCC[C@H]2CC2(F)F)cc1 ZINC001334703100 1049535824 /nfs/dbraw/zinc/53/58/24/1049535824.db2.gz PEWKCKSMGHYEBO-HNNXBMFYSA-N 0 0 367.440 2.653 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C(=O)c1cc(Cl)cc(Cl)c1 ZINC001294913181 1049836465 /nfs/dbraw/zinc/83/64/65/1049836465.db2.gz NDSSQDHSGSACFK-UHFFFAOYSA-N 0 0 354.189 2.946 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1CCOCC1 ZINC001295595470 1049957153 /nfs/dbraw/zinc/95/71/53/1049957153.db2.gz TVBLEZIZZPNQPQ-QGZVFWFLSA-N 0 0 354.450 2.814 20 10 FFCDRN CCCC(CCC)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC ZINC001296055410 1050016935 /nfs/dbraw/zinc/01/69/35/1050016935.db2.gz TZVDMOWAKSELHK-HNNXBMFYSA-N 0 0 351.443 2.905 20 10 FFCDRN CNC(=O)N[C@H]1CCN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001296166970 1050033435 /nfs/dbraw/zinc/03/34/35/1050033435.db2.gz JMRDZCBKJBQGHZ-INIZCTEOSA-N 0 0 354.454 2.546 20 10 FFCDRN COc1ccc(CNC(=O)c2cccc(CNc3ccncn3)c2)c(O)c1 ZINC001296968108 1050108683 /nfs/dbraw/zinc/10/86/83/1050108683.db2.gz 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Cn1nc(C2CCOCC2)cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001338991705 1055995362 /nfs/dbraw/zinc/99/53/62/1055995362.db2.gz ZDHDMRDTMJKAFR-UHFFFAOYSA-N 0 0 361.789 2.756 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C(C)=C/c3ccccn3)CC2)cc1F ZINC000847556423 1056045134 /nfs/dbraw/zinc/04/51/34/1056045134.db2.gz DFBKOOYDTFMKFM-FYWRMAATSA-N 0 0 355.413 2.981 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001351035962 1056051195 /nfs/dbraw/zinc/05/11/95/1056051195.db2.gz XFVVDQFQLWTAGR-YUELXQCFSA-N 0 0 367.392 2.965 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc(-c3cccnc3)nn2C)cc1F ZINC001358004098 1056096704 /nfs/dbraw/zinc/09/67/04/1056096704.db2.gz NCMJVVBDUBYTBJ-UHFFFAOYSA-N 0 0 353.401 2.617 20 10 FFCDRN COc1cnc(F)c(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000847604431 1056149000 /nfs/dbraw/zinc/14/90/00/1056149000.db2.gz LULVCAQKVBQFAG-AWEZNQCLSA-N 0 0 360.385 2.756 20 10 FFCDRN CC[C@H](C)CNC(=S)N1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001200263216 1056181151 /nfs/dbraw/zinc/18/11/51/1056181151.db2.gz 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ZINC000849271812 1056815565 /nfs/dbraw/zinc/81/55/65/1056815565.db2.gz VDMSXFYFUNVZAV-UHFFFAOYSA-N 0 0 368.506 2.785 20 10 FFCDRN COc1ccc(CNC(=S)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000849270303 1056815765 /nfs/dbraw/zinc/81/57/65/1056815765.db2.gz AYRBAOHGQSWAIV-MRXNPFEDSA-N 0 0 371.506 2.947 20 10 FFCDRN COc1ccc(N2CC[C@@H](N3C(=O)N[C@@H](c4ccccc4F)C3=O)C2)cc1 ZINC000849356454 1056841525 /nfs/dbraw/zinc/84/15/25/1056841525.db2.gz FICIEZDMCIRZRS-KDOFPFPSSA-N 0 0 369.396 2.706 20 10 FFCDRN COc1cc(CN(C)C(=S)NCc2ccco2)cc(OC)c1OC ZINC001200562571 1058596295 /nfs/dbraw/zinc/59/62/95/1058596295.db2.gz PVQFAXNPLHILBO-UHFFFAOYSA-N 0 0 350.440 2.812 20 10 FFCDRN Cc1cnn(Cc2ccccc2F)c1NC(=O)Cc1ccc(O)c(O)c1 ZINC001448101078 1058737410 /nfs/dbraw/zinc/73/74/10/1058737410.db2.gz YUMBFTZAYRUHTE-UHFFFAOYSA-N 0 0 355.369 2.971 20 10 FFCDRN CNC(=S)Nc1ccc(Br)cc1C(=O)c1ccccn1 ZINC001200610761 1058777783 /nfs/dbraw/zinc/77/77/83/1058777783.db2.gz RFPKOQAXXBNNCT-UHFFFAOYSA-N 0 0 350.241 2.991 20 10 FFCDRN CN(C)C(=O)CCn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001503366425 1059014449 /nfs/dbraw/zinc/01/44/49/1059014449.db2.gz AMYMBPAZBRODAA-UHFFFAOYSA-N 0 0 371.485 2.756 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCCOC[C@H]2CCOC2)c1 ZINC001200682821 1059081533 /nfs/dbraw/zinc/08/15/33/1059081533.db2.gz QSIJECVGBREWDS-CYBMUJFWSA-N 0 0 358.276 2.996 20 10 FFCDRN Nc1c(C(=O)NCc2ccc3cccnc3c2O)cnn1-c1ccccc1 ZINC001451965106 1059169406 /nfs/dbraw/zinc/16/94/06/1059169406.db2.gz XJGQGKOQXPTZCF-UHFFFAOYSA-N 0 0 359.389 2.638 20 10 FFCDRN CN1C(=O)CCc2cc(C(=O)NCc3ccc4cccnc4c3O)ccc21 ZINC001451957376 1059169442 /nfs/dbraw/zinc/16/94/42/1059169442.db2.gz STWXAQKVLZLWLV-UHFFFAOYSA-N 0 0 361.401 2.779 20 10 FFCDRN COC(=O)C1(C)CN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C1 ZINC001452022080 1059173506 /nfs/dbraw/zinc/17/35/06/1059173506.db2.gz ASTPKVQUDQEAKW-UHFFFAOYSA-N 0 0 370.449 2.550 20 10 FFCDRN CO[C@H]1CN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)CC1(C)C ZINC001504499412 1059193836 /nfs/dbraw/zinc/19/38/36/1059193836.db2.gz PFXSYGSIERDZAX-SFHVURJKSA-N 0 0 357.502 2.870 20 10 FFCDRN COCCN(C)c1nnc(C2SC=CC2=O)n1Cc1cccs1 ZINC001515010757 1059218288 /nfs/dbraw/zinc/21/82/88/1059218288.db2.gz GDBPWWIKFMUTGA-UHFFFAOYSA-N 0 0 350.469 2.905 20 10 FFCDRN Cc1cc(C(=O)N2CC(N3CCOCC3)C2)c(C)n1-c1cccc(C)c1 ZINC001452689239 1059276316 /nfs/dbraw/zinc/27/63/16/1059276316.db2.gz GRAFXKBKOFZMME-UHFFFAOYSA-N 0 0 353.466 2.559 20 10 FFCDRN COc1cc(CNC(=O)c2cccc(O)c2O)c(Br)cc1O ZINC001452869043 1059311164 /nfs/dbraw/zinc/31/11/64/1059311164.db2.gz YICDOZRJXYRZBP-UHFFFAOYSA-N 0 0 368.183 2.505 20 10 FFCDRN O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCc1cc(Cl)ccc1O ZINC001452936633 1059315824 /nfs/dbraw/zinc/31/58/24/1059315824.db2.gz QJMBZPQBGQFZTH-UHFFFAOYSA-N 0 0 371.824 2.963 20 10 FFCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)c1ccc(S(C)(=O)=O)cc1 ZINC001452935398 1059316370 /nfs/dbraw/zinc/31/63/70/1059316370.db2.gz GCXWBMIWYUEWKP-LLVKDONJSA-N 0 0 367.854 2.869 20 10 FFCDRN CC(C)C1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)COC1 ZINC001354659198 1059326039 /nfs/dbraw/zinc/32/60/39/1059326039.db2.gz UMDADAHYSHFFBW-GJZGRUSLSA-N 0 0 364.461 2.728 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)/C(C)=C/c1cccnc1 ZINC000848231376 1059429728 /nfs/dbraw/zinc/42/97/28/1059429728.db2.gz ABQAWAQEZATYJL-RVDMUPIBSA-N 0 0 354.406 2.782 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccn3c(C)cnc3c2)cc1 ZINC000848244003 1059466875 /nfs/dbraw/zinc/46/68/75/1059466875.db2.gz VTUHWCSQCAYGDC-UHFFFAOYSA-N 0 0 352.438 2.860 20 10 FFCDRN Oc1ccc(O)c(CNc2ccc3nnc(-c4ccccc4F)n3n2)c1 ZINC001472868926 1059620818 /nfs/dbraw/zinc/62/08/18/1059620818.db2.gz BNOINBJDPIVXNF-UHFFFAOYSA-N 0 0 351.341 2.954 20 10 FFCDRN C[C@@H](NC(=O)c1cc(NC(=O)OC(C)(C)C)n(C)n1)c1ccccc1O ZINC001454807282 1059628260 /nfs/dbraw/zinc/62/82/60/1059628260.db2.gz RTQIMCGTTWWNJQ-LLVKDONJSA-N 0 0 360.414 2.964 20 10 FFCDRN Cc1cc(C(=O)N[C@@]2(C(N)=O)CCOC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000848318973 1059732292 /nfs/dbraw/zinc/73/22/92/1059732292.db2.gz DFFNPLLOKXZTRL-NRFANRHFSA-N 0 0 369.465 2.592 20 10 FFCDRN CC(C)(C)OC(=O)c1ccc(/C=C/C(=O)NCc2cccc(O)c2O)o1 ZINC001455314709 1059756726 /nfs/dbraw/zinc/75/67/26/1059756726.db2.gz HYTNLKNJUQRLDX-CSKARUKUSA-N 0 0 359.378 2.976 20 10 FFCDRN C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)O2 ZINC001455919654 1059952830 /nfs/dbraw/zinc/95/28/30/1059952830.db2.gz QMCPKCNNXPJZCT-SJECXTJVSA-N 0 0 360.414 2.551 20 10 FFCDRN COC(=O)C(C)(C)[C@@H]1CCCN(c2nnc(C3SC=CC3=O)n2C)C1 ZINC001355344988 1060152388 /nfs/dbraw/zinc/15/23/88/1060152388.db2.gz QODPLGJUAHSOPF-LLVKDONJSA-N 0 0 364.471 2.665 20 10 FFCDRN Cc1sc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)nc1C(=O)[O-] ZINC001355416701 1060223344 /nfs/dbraw/zinc/22/33/44/1060223344.db2.gz LMTPHNPOSQIPNY-CYBMUJFWSA-N 0 0 374.510 2.752 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC1=CCCOC1 ZINC001517147792 1060371284 /nfs/dbraw/zinc/37/12/84/1060371284.db2.gz MECKCAKQHPUTAN-UHFFFAOYSA-N 0 0 354.454 2.919 20 10 FFCDRN CN(c1nnc(C2SC=CC2=O)n1C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC001517669282 1060585939 /nfs/dbraw/zinc/58/59/39/1060585939.db2.gz IDOONMRLNDUIIJ-NEPJUHHUSA-N 0 0 366.512 2.833 20 10 FFCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H](O)c1c[nH]cn1 ZINC001458591735 1060630868 /nfs/dbraw/zinc/63/08/68/1060630868.db2.gz PRICDKLQLTVKQW-KRWDZBQOSA-N 0 0 352.350 2.694 20 10 FFCDRN C[C@@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)c2ccc(F)cc2O1 ZINC001459572666 1060776387 /nfs/dbraw/zinc/77/63/87/1060776387.db2.gz LZCLJKKNUGBKGH-CQSZACIVSA-N 0 0 357.429 2.795 20 10 FFCDRN COC(=O)c1nsc(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)n1 ZINC001460001335 1060870960 /nfs/dbraw/zinc/87/09/60/1060870960.db2.gz AWFQUKMSNRRRMJ-UHFFFAOYSA-N 0 0 370.434 2.913 20 10 FFCDRN COC(=O)N1CCC[C@@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC001461143823 1061222740 /nfs/dbraw/zinc/22/27/40/1061222740.db2.gz QGIQJHLDYLVANR-LLVKDONJSA-N 0 0 361.211 2.614 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2CCc3ccccc3O2)cc1 ZINC001461334567 1061291061 /nfs/dbraw/zinc/29/10/61/1061291061.db2.gz DAYXYKUOHSIYAB-FQEVSTJZSA-N 0 0 354.450 2.984 20 10 FFCDRN COC(=O)c1ccc2c(n1)CCCN2C(=O)/C=C/c1ccc(Cl)nc1 ZINC001461553026 1061348174 /nfs/dbraw/zinc/34/81/74/1061348174.db2.gz YNGDTAGDRAGJQJ-WEVVVXLNSA-N 0 0 357.797 2.909 20 10 FFCDRN COCc1cc(NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)ncn1 ZINC001476253209 1061377305 /nfs/dbraw/zinc/37/73/05/1061377305.db2.gz JVFOPSITJPGWFH-UHFFFAOYSA-N 0 0 355.442 2.887 20 10 FFCDRN Cc1ccc(CN2CCO[C@H](C[NH2+]Cc3cc([N+](=O)[O-])ccc3[O-])C2)cc1 ZINC001461699900 1061383984 /nfs/dbraw/zinc/38/39/84/1061383984.db2.gz KWHUCSKFWWKQRE-LJQANCHMSA-N 0 0 371.437 2.599 20 10 FFCDRN COc1ccc(C[N@H+](CCO)Cc2cc(F)c(F)cc2[O-])c(OC)c1 ZINC001461985735 1061470342 /nfs/dbraw/zinc/47/03/42/1061470342.db2.gz FQSUYKLEAVUOOV-UHFFFAOYSA-N 0 0 353.365 2.682 20 10 FFCDRN CO[C@@H](CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C1CC1 ZINC001476768647 1061475367 /nfs/dbraw/zinc/47/53/67/1061475367.db2.gz OBRHIFCTXARKDJ-HNNXBMFYSA-N 0 0 351.410 2.943 20 10 FFCDRN C[C@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@H]1O ZINC001476767738 1061475969 /nfs/dbraw/zinc/47/59/69/1061475969.db2.gz HMYIRVVKHBQQEJ-DZGCQCFKSA-N 0 0 351.410 2.631 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)COCC(=O)OC(C)(C)C)cc1 ZINC001527394106 1061485013 /nfs/dbraw/zinc/48/50/13/1061485013.db2.gz MRMARNAANFUNIA-UHFFFAOYSA-N 0 0 350.459 2.507 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCC(=O)N2CCC[C@H](C)C2)cc1 ZINC001527537901 1061526028 /nfs/dbraw/zinc/52/60/28/1061526028.db2.gz IARFDXADEHVBGQ-KRWDZBQOSA-N 0 0 374.529 2.981 20 10 FFCDRN [O-]c1cc(F)c(F)cc1C[NH2+]CC1(OCCO)CCC(F)(F)CC1 ZINC001462436897 1061622144 /nfs/dbraw/zinc/62/21/44/1061622144.db2.gz GAWRRRZNQICNQH-UHFFFAOYSA-N 0 0 351.340 2.717 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCO[C@](C)(C(F)(F)F)C3)ccc21 ZINC001477634998 1061760891 /nfs/dbraw/zinc/76/08/91/1061760891.db2.gz NJDVKXKZGOACAE-KRWDZBQOSA-N 0 0 371.403 2.932 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCC(=O)NC(C)(C)C ZINC001477765833 1061791422 /nfs/dbraw/zinc/79/14/22/1061791422.db2.gz UNXVDWWEIBNQFV-UHFFFAOYSA-N 0 0 360.502 2.733 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)[C@]3(C(=O)OC(C)(C)C)C[C@H]3C)C2)cc1 ZINC001528318197 1061860713 /nfs/dbraw/zinc/86/07/13/1061860713.db2.gz SEJMWSMKOQWBKO-WIEQDCTASA-N 0 0 374.481 2.758 20 10 FFCDRN CN(CC(=O)NCc1ccccc1O)c1ccc(C(F)(F)F)cc1C=O ZINC000769360971 1061889564 /nfs/dbraw/zinc/88/95/64/1061889564.db2.gz MFZVOQBPJDWOEI-UHFFFAOYSA-N 0 0 366.339 2.976 20 10 FFCDRN O=S(=O)(CCc1cccc(F)c1)NCCCSc1nccs1 ZINC001463045579 1061912691 /nfs/dbraw/zinc/91/26/91/1061912691.db2.gz WUTKEFCQUFIFOH-UHFFFAOYSA-N 0 0 360.501 2.927 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3c(C)csc3C)CC2)cc1 ZINC001463349483 1062066113 /nfs/dbraw/zinc/06/61/13/1062066113.db2.gz JNDIJGREWPPNPA-UHFFFAOYSA-N 0 0 366.508 2.884 20 10 FFCDRN C[C@H](NS(=O)(=O)C[C@@H]1CC2(CCC2)CO1)c1ccc(N(C)C)cc1 ZINC001463551246 1062156531 /nfs/dbraw/zinc/15/65/31/1062156531.db2.gz FPNJNSDYNMFFRY-YOEHRIQHSA-N 0 0 352.500 2.692 20 10 FFCDRN Cc1cc(CNC(=O)NC(C)(C)CNC(N)=O)c(C)n1-c1cccc(C)c1 ZINC001479100445 1062223925 /nfs/dbraw/zinc/22/39/25/1062223925.db2.gz UCPKWOKKDUZMPP-UHFFFAOYSA-N 0 0 371.485 2.649 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2Oc3ccccc3O[C@@H]2C)cc1 ZINC001531375033 1062755275 /nfs/dbraw/zinc/75/52/75/1062755275.db2.gz PKFQZFMTQDDCQG-QRWLVFNGSA-N 0 0 370.449 2.818 20 10 FFCDRN COC[C@]1(C(=O)OC)CCCN1C(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC001531956631 1062932862 /nfs/dbraw/zinc/93/28/62/1062932862.db2.gz YZSADUSWPFKBOF-NRFANRHFSA-N 0 0 370.449 2.888 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@]3(C)OCCc4ccccc43)C2)cc1 ZINC001532105273 1062977639 /nfs/dbraw/zinc/97/76/39/1062977639.db2.gz JVGDMYAMRIBFCG-VGOFRKELSA-N 0 0 366.461 2.878 20 10 FFCDRN CO[C@@H]1CCCN(c2nnc(C3SC=CC3=O)n2C[C@@H]2CCCO2)C1 ZINC001525097205 1063143822 /nfs/dbraw/zinc/14/38/22/1063143822.db2.gz BCZXVNJMDNGBST-OLZOCXBDSA-N 0 0 364.471 2.506 20 10 FFCDRN Cc1cccn2cc(CCNC(=O)c3ccc(N=NC(N)=O)cc3)nc12 ZINC001465600987 1063150538 /nfs/dbraw/zinc/15/05/38/1063150538.db2.gz IGFVSFBYWYNWAV-UHFFFAOYSA-N 0 0 350.382 2.778 20 10 FFCDRN CCc1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001546464102 1063195511 /nfs/dbraw/zinc/19/55/11/1063195511.db2.gz IZZGOJZHJGWLJG-DLBZAZTESA-N 0 0 369.513 2.960 20 10 FFCDRN Cc1cc(NC(=O)NCc2cc(C)ccc2O)n(Cc2ccccn2)n1 ZINC001465793883 1063215014 /nfs/dbraw/zinc/21/50/14/1063215014.db2.gz HOZPQPLAIJNSLC-UHFFFAOYSA-N 0 0 351.410 2.971 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccc4cccnn43)CC2)cc1 ZINC001466208611 1063363504 /nfs/dbraw/zinc/36/35/04/1063363504.db2.gz MSVLNJVXFMKIKN-UHFFFAOYSA-N 0 0 350.422 2.695 20 10 FFCDRN CCOC(=O)[C@H](C(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(C)C ZINC001441928176 1063482649 /nfs/dbraw/zinc/48/26/49/1063482649.db2.gz FMFWYYPIVFRSKQ-SFHVURJKSA-N 0 0 362.470 2.569 20 10 FFCDRN O=C(c1ccnc2c1CC(=O)N2)N1CCCc2cc(Br)ccc21 ZINC001441947353 1063484587 /nfs/dbraw/zinc/48/45/87/1063484587.db2.gz GJMXKZFVBNIIDL-UHFFFAOYSA-N 0 0 372.222 2.932 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)[C@H]3CCCC[C@H]3C)CC2)cc1 ZINC001442463985 1063535199 /nfs/dbraw/zinc/53/51/99/1063535199.db2.gz BAMSYAOCMWMNAM-XLIONFOSSA-N 0 0 359.514 2.760 20 10 FFCDRN C[C@@H](NC(=O)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1)c1ccc(N(C)C)cc1 ZINC001467365453 1063722843 /nfs/dbraw/zinc/72/28/43/1063722843.db2.gz RNSWDBSZHKCTOT-LLVKDONJSA-N 0 0 371.397 2.642 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccsc1CC(=O)OC ZINC001467840189 1063865170 /nfs/dbraw/zinc/86/51/70/1063865170.db2.gz KWUOMQSGEGVXJI-UHFFFAOYSA-N 0 0 354.424 2.585 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)Cc1ccccc1F ZINC001467994218 1063901683 /nfs/dbraw/zinc/90/16/83/1063901683.db2.gz KRJNXDGLRSYFJH-LJQANCHMSA-N 0 0 371.456 2.829 20 10 FFCDRN CC(C)(C)OC(=O)N=c1[nH]cc(C(=O)NCc2ccc(O)cc2O)s1 ZINC001469164056 1064102067 /nfs/dbraw/zinc/10/20/67/1064102067.db2.gz VSSSRVRJVBTOAW-UHFFFAOYSA-N 0 0 365.411 2.831 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)CCN2C(=O)CCc3cc(F)ccc32)c1 ZINC001470255406 1064289343 /nfs/dbraw/zinc/28/93/43/1064289343.db2.gz VGXVCYZXLQRXHK-UHFFFAOYSA-N 0 0 356.397 2.825 20 10 FFCDRN COC(=O)COCCNC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C 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FFCDRN Cc1cc(C(=O)N2C[C@@H]3CCC[C@]3(C(N)=O)C2)c(C)n1-c1ccc(F)cc1 ZINC001472140688 1064950081 /nfs/dbraw/zinc/95/00/81/1064950081.db2.gz MZXOQPQKFXHVFH-BTYIYWSLSA-N 0 0 369.440 2.961 20 10 FFCDRN Cn1ccnc1[C@@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1F ZINC001472277761 1064997407 /nfs/dbraw/zinc/99/74/07/1064997407.db2.gz RACPIGFKEQPLFF-HNNXBMFYSA-N 0 0 359.332 2.629 20 10 FFCDRN NC(=O)CSc1ccccc1C(=O)NCc1cccc(Cl)c1O ZINC001472315890 1065010969 /nfs/dbraw/zinc/01/09/69/1065010969.db2.gz HWNIOUUMJNQEJI-UHFFFAOYSA-N 0 0 350.827 2.553 20 10 FFCDRN COc1ccc(N2CCN(CC(F)(F)Br)CC2)c(OC)c1 ZINC001473732635 1065338300 /nfs/dbraw/zinc/33/83/00/1065338300.db2.gz ULBPWJBTGRVGBB-UHFFFAOYSA-N 0 0 365.218 2.814 20 10 FFCDRN [O-]c1c(F)cc(Cl)cc1C[NH2+]C[C@@H](O)COc1ccc(F)c(F)c1 ZINC001473986794 1065434314 /nfs/dbraw/zinc/43/43/14/1065434314.db2.gz PVGCHGUMIXHRNE-LLVKDONJSA-N 0 0 361.747 2.992 20 10 FFCDRN C[C@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001474473160 1065531196 /nfs/dbraw/zinc/53/11/96/1065531196.db2.gz ZTWFHZXKVDYBJD-GFCCVEGCSA-N 0 0 370.421 2.517 20 10 FFCDRN CC[C@H](NC(=O)c1csc(Cc2ccc(N)cc2)n1)c1noc(C)n1 ZINC001577164850 1078311772 /nfs/dbraw/zinc/31/17/72/1078311772.db2.gz ULLUGYJCOZRDFP-ZDUSSCGKSA-N 0 0 357.439 2.889 20 10 FFCDRN CN(C(=O)CCCCN1C(=O)c2ccccc2C1=O)c1ccc(N)cc1 ZINC001578374478 1078466978 /nfs/dbraw/zinc/46/69/78/1078466978.db2.gz OWQNQTRAJYZOPB-UHFFFAOYSA-N 0 0 351.406 2.698 20 10 FFCDRN C[C@@H](NC(=O)c1n[nH]c2c1C[C@H](C)CC2)c1ccc(N2CCOCC2)cc1 ZINC001583676489 1079249069 /nfs/dbraw/zinc/24/90/69/1079249069.db2.gz NVVSIRKKLWSXCD-HUUCEWRRSA-N 0 0 368.481 2.862 20 10 FFCDRN CCOC(=O)[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC001583753582 1079259099 /nfs/dbraw/zinc/25/90/99/1079259099.db2.gz YTUZDLGWZKBJEX-GOSISDBHSA-N 0 0 358.413 2.855 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)C[C@@H]3CC=CCC3)CC2)cc1 ZINC001583758638 1079259894 /nfs/dbraw/zinc/25/98/94/1079259894.db2.gz WOIMIAQFXBCIRA-GOSISDBHSA-N 0 0 357.498 2.680 20 10 FFCDRN Cc1ccc(C)c(C2=NO[C@H](C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)C2)c1 ZINC001556157555 1075710000 /nfs/dbraw/zinc/71/00/00/1075710000.db2.gz DZEKWJHFARHLDA-VLIAUNLRSA-N 0 0 368.433 2.955 20 10 FFCDRN Cc1cc(C(=O)N2CC(N3CCOCC3)C2)c(C)n1-c1ccccc1C ZINC001557305887 1075836219 /nfs/dbraw/zinc/83/62/19/1075836219.db2.gz IZUZQRGBKWAXCV-UHFFFAOYSA-N 0 0 353.466 2.559 20 10 FFCDRN NC(=O)CC1(CNC(=O)c2cc3cc(O)c(O)cc3s2)CCCCC1 ZINC001585620534 1079481011 /nfs/dbraw/zinc/48/10/11/1079481011.db2.gz DWHKVHBNCGDMJN-UHFFFAOYSA-N 0 0 362.451 2.868 20 10 FFCDRN C[C@@H](NC(=O)c1ccn(-c2ccc([N+](=O)[O-])cc2)n1)c1ccccc1O ZINC001557966621 1075919097 /nfs/dbraw/zinc/91/90/97/1075919097.db2.gz KNHITWNULSIIAX-GFCCVEGCSA-N 0 0 352.350 2.977 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)Nc1cc([N+](=O)[O-])n[nH]1 ZINC001558336378 1075984672 /nfs/dbraw/zinc/98/46/72/1075984672.db2.gz CEQOYYLQGQATEK-UHFFFAOYSA-N 0 0 353.338 2.790 20 10 FFCDRN CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)[C@@H]2COC[C@H]2O)cc1 ZINC001558406925 1075999129 /nfs/dbraw/zinc/99/91/29/1075999129.db2.gz IRNOQFCWEHVCJW-RTBURBONSA-N 0 0 368.437 3.000 20 10 FFCDRN O=C(NCc1c(O)cccc1O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC001558534572 1076027078 /nfs/dbraw/zinc/02/70/78/1076027078.db2.gz UYXMMLSKXPONSQ-MRXNPFEDSA-N 0 0 370.405 2.515 20 10 FFCDRN O=C(NCCCc1ccccc1)C(=O)NCc1c(O)ccc2ccccc21 ZINC001558553939 1076031512 /nfs/dbraw/zinc/03/15/12/1076031512.db2.gz GWIJXGOJQCZHFD-UHFFFAOYSA-N 0 0 362.429 2.911 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CC[C@H](O)[C@@H]3CCCC[C@H]32)c([N+](=O)[O-])c1 ZINC001559263174 1076142199 /nfs/dbraw/zinc/14/21/99/1076142199.db2.gz NLRGBAQZAPBHKY-SUUYHABCSA-N 0 0 360.410 2.911 20 10 FFCDRN Cc1cc(CNC(=O)NC[C@@H](O)[C@@H]2CCCO2)c(C)n1-c1cccc(C)c1 ZINC001565192704 1076695912 /nfs/dbraw/zinc/69/59/12/1076695912.db2.gz DHUWMFPCVQNNOJ-UXHICEINSA-N 0 0 371.481 2.742 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001565702272 1076755703 /nfs/dbraw/zinc/75/57/03/1076755703.db2.gz YQTNIULQWUTZSH-QGZVFWFLSA-N 0 0 355.413 2.627 20 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/nfs/dbraw/zinc/05/85/98/1077058598.db2.gz UDHSAFYPJUVZTB-SFHLNBCPSA-N 0 0 356.466 2.945 20 10 FFCDRN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001568527187 1077100133 /nfs/dbraw/zinc/10/01/33/1077100133.db2.gz UTFBJZJTXATYAS-UHFFFAOYSA-N 0 0 359.332 2.958 20 10 FFCDRN CCc1c[nH]c(=O)c(C(=O)NCc2cccc(Br)c2O)c1 ZINC001568604984 1077102615 /nfs/dbraw/zinc/10/26/15/1077102615.db2.gz LRMIKPOFCYKRQK-UHFFFAOYSA-N 0 0 351.200 2.748 20 10 FFCDRN O=C(Cc1cccc(OCC(F)(F)F)c1)NCc1ccc(O)cc1O ZINC001570462428 1077207685 /nfs/dbraw/zinc/20/76/85/1077207685.db2.gz STLGIIYCPDZMPW-UHFFFAOYSA-N 0 0 355.312 2.898 20 10 FFCDRN CC(C)c1nc([C@@H](CO)NC(=O)c2ccc(N=NC(N)=O)cc2)cs1 ZINC001570890381 1077239954 /nfs/dbraw/zinc/23/99/54/1077239954.db2.gz XKSZFHYXGAUAQK-GFCCVEGCSA-N 0 0 361.427 2.892 20 10 FFCDRN CC(C)CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001574389881 1077975595 /nfs/dbraw/zinc/97/55/95/1077975595.db2.gz QHMSKSPQBSKFTC-OAGGEKHMSA-N 0 0 371.441 2.757 20 10 FFCDRN COC(=O)[C@@H](C)N(C)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001586478232 1079636083 /nfs/dbraw/zinc/63/60/83/1079636083.db2.gz QSVRKUKGYMEFTQ-CYBMUJFWSA-N 0 0 358.438 2.549 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCn2sc3ccccc3c2=O)cc1 ZINC001587317202 1079772338 /nfs/dbraw/zinc/77/23/38/1079772338.db2.gz UCVQOVHLKDPYMO-UHFFFAOYSA-N 0 0 355.463 2.836 20 10 FFCDRN Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc(C)c(O)c3O)c2)n1 ZINC001587412784 1079788702 /nfs/dbraw/zinc/78/87/02/1079788702.db2.gz CUYPPNPOSBFCNU-UHFFFAOYSA-N 0 0 352.394 2.915 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC001587846060 1079876644 /nfs/dbraw/zinc/87/66/44/1079876644.db2.gz XAZNCPNOULMVJE-YXXDKCBFSA-N 0 0 367.401 2.749 20 10 FFCDRN CC(C)Oc1ccc(-c2nn[nH]n2)cc1NC(=O)NCc1ccccc1O ZINC001589755382 1080708747 /nfs/dbraw/zinc/70/87/47/1080708747.db2.gz QQDVWCXBUYCPBH-UHFFFAOYSA-N 0 0 368.397 2.681 20 10 FFCDRN CC(C)Oc1ccc(N(C)CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC001589755072 1080709532 /nfs/dbraw/zinc/70/95/32/1080709532.db2.gz XCFNAUIXNKFBND-UHFFFAOYSA-N 0 0 366.425 2.729 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589962162 1080905189 /nfs/dbraw/zinc/90/51/89/1080905189.db2.gz HCLBWWGDNUVMRP-OUJBWJOFSA-N 0 0 371.363 2.723 20 10 FFCDRN C[C@@H]([NH2+]C[C@H](C[C@H](C)O)c1ccccc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589999583 1080929443 /nfs/dbraw/zinc/92/94/43/1080929443.db2.gz XRWRRENEMQIAJM-LZWOXQAQSA-N 0 0 367.453 2.778 20 10 FFCDRN Cc1cc(Br)cc(C[NH2+][C@H](Cc2cncs2)C(=O)[O-])c1O ZINC001607563634 1126234081 /nfs/dbraw/zinc/23/40/81/1126234081.db2.gz RYLWRHXLNTWKIV-GFCCVEGCSA-N 0 0 371.256 2.705 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(-c4ccco4)on3)CC2)cc1 ZINC000036150678 506400025 /nfs/dbraw/zinc/40/00/25/506400025.db2.gz BTVLIUSONUORDB-UHFFFAOYSA-N 0 0 353.378 2.906 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)COc3ccccc3C=O)CC2)cc1 ZINC000066330844 506482908 /nfs/dbraw/zinc/48/29/08/506482908.db2.gz GNFBVVOQFRSOPE-UHFFFAOYSA-N 0 0 368.433 2.625 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1c1ccncc1 ZINC000054786113 506622927 /nfs/dbraw/zinc/62/29/27/506622927.db2.gz QDBWZACAQKPFMQ-HXUWFJFHSA-N 0 0 366.465 2.965 20 10 FFCDRN COCCCN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000066985436 506719285 /nfs/dbraw/zinc/71/92/85/506719285.db2.gz KGPXTRQKCBICDL-HUUCEWRRSA-N 0 0 367.465 2.617 20 10 FFCDRN Cc1cc(C)n(CC(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n1 ZINC000055530279 506771949 /nfs/dbraw/zinc/77/19/49/506771949.db2.gz GSCDQYQEQJZUFI-HZPDHXFCSA-N 0 0 374.460 2.569 20 10 FFCDRN C[C@@H](CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccccc1 ZINC000067177943 506784863 /nfs/dbraw/zinc/78/48/63/506784863.db2.gz YKJZSYGFELQGOL-ZDUSSCGKSA-N 0 0 362.451 2.639 20 10 FFCDRN CN(c1ccc(CNC(=O)CCCCNC(N)=O)cc1)C1CCCCC1 ZINC000067299654 506821995 /nfs/dbraw/zinc/82/19/95/506821995.db2.gz RFFPFQLYYQALIA-UHFFFAOYSA-N 0 0 360.502 2.910 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)cc1 ZINC000055877893 506874415 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ZINC000073152842 507899354 /nfs/dbraw/zinc/89/93/54/507899354.db2.gz PXIKCHWHYCPYEU-UHFFFAOYSA-N 0 0 369.465 2.602 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C2CCN(c3cnccn3)CC2)cc1 ZINC000079389851 507957704 /nfs/dbraw/zinc/95/77/04/507957704.db2.gz YHKDEWCTVKPNJQ-UHFFFAOYSA-N 0 0 367.497 2.856 20 10 FFCDRN C[C@H](Cn1cncn1)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000073965330 507971715 /nfs/dbraw/zinc/97/17/15/507971715.db2.gz RSNHOYTZALZYBI-OAHLLOKOSA-N 0 0 357.458 2.917 20 10 FFCDRN CN(CC(=O)Nc1ccccc1N1CCCC1=O)Cc1ccccc1O ZINC000109773087 507986053 /nfs/dbraw/zinc/98/60/53/507986053.db2.gz LSYUUYANRRLRMF-UHFFFAOYSA-N 0 0 353.422 2.590 20 10 FFCDRN Cc1cc(CC(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)no1 ZINC000074249963 508001679 /nfs/dbraw/zinc/00/16/79/508001679.db2.gz YFHCZDDOWQDULJ-LJQANCHMSA-N 0 0 357.454 2.799 20 10 FFCDRN Cn1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C(C)(C)C)n1 ZINC000092239122 508053429 /nfs/dbraw/zinc/05/34/29/508053429.db2.gz MITRTITZWGGRGS-UHFFFAOYSA-N 0 0 374.460 2.623 20 10 FFCDRN 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CC[C@@H]([NH2+][C@H](C)c1ccc(Cl)c(Cl)c1[O-])C(=O)N1CCOCC1 ZINC000185665606 509294667 /nfs/dbraw/zinc/29/46/67/509294667.db2.gz CIOQUONJXVQKET-ZWNOBZJWSA-N 0 0 361.269 2.987 20 10 FFCDRN COCCOCCC(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000264049628 509303569 /nfs/dbraw/zinc/30/35/69/509303569.db2.gz WFMVBEKRDBMQIF-UHFFFAOYSA-N 0 0 362.392 2.697 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188907213 509318982 /nfs/dbraw/zinc/31/89/82/509318982.db2.gz XEGZPEHYYBSGLR-UHFFFAOYSA-N 0 0 374.462 2.585 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)C1CCCCC1 ZINC000264086873 509324260 /nfs/dbraw/zinc/32/42/60/509324260.db2.gz FJOCZUNJLCDSIV-UHFFFAOYSA-N 0 0 352.500 2.618 20 10 FFCDRN COc1cccc(N2CC[C@H](NC(=O)N(C)Cc3ccccc3O)C2)c1 ZINC000264090948 509325743 /nfs/dbraw/zinc/32/57/43/509325743.db2.gz WJWVZRJDPTXCOK-INIZCTEOSA-N 0 0 355.438 2.821 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 ZINC000163226060 509353750 /nfs/dbraw/zinc/35/37/50/509353750.db2.gz 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509779676 /nfs/dbraw/zinc/77/96/76/509779676.db2.gz GEKGEWWQCSEYFK-IBGZPJMESA-N 0 0 355.507 2.718 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2=O)cc1 ZINC000237947913 509781706 /nfs/dbraw/zinc/78/17/06/509781706.db2.gz NXFATMOZQFPFDS-QGZVFWFLSA-N 0 0 357.841 2.634 20 10 FFCDRN Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183477996 509813892 /nfs/dbraw/zinc/81/38/92/509813892.db2.gz UWOADKNKMAHAHC-VIFPVBQESA-N 0 0 353.369 2.596 20 10 FFCDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000186647953 509824288 /nfs/dbraw/zinc/82/42/88/509824288.db2.gz GFBGYPQLWWGCMD-OAHLLOKOSA-N 0 0 359.392 2.524 20 10 FFCDRN COC(=O)c1cc(NC(=O)NCc2ccc(N3CCCC3)cc2)cn1C ZINC000268317795 509868065 /nfs/dbraw/zinc/86/80/65/509868065.db2.gz FCLRZLUDRBTYOD-UHFFFAOYSA-N 0 0 356.426 2.734 20 10 FFCDRN CN(CC1(c2ccccc2)CC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000186760059 509892091 /nfs/dbraw/zinc/89/20/91/509892091.db2.gz CAFBOTICUHTDMW-UHFFFAOYSA-N 0 0 374.462 2.568 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN([C@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000177170686 509915724 /nfs/dbraw/zinc/91/57/24/509915724.db2.gz LYKVYBASNPTOEH-SNVBAGLBSA-N 0 0 359.875 2.646 20 10 FFCDRN C[C@H]1Cc2cc(S(=O)(=O)N3CCOc4cc(N(C)C)ccc43)ccc2O1 ZINC000174062751 509928943 /nfs/dbraw/zinc/92/89/43/509928943.db2.gz ZADDCKZEMUJGGZ-ZDUSSCGKSA-N 0 0 374.462 2.664 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCCC(=O)N(C)C ZINC000268468216 509950672 /nfs/dbraw/zinc/95/06/72/509950672.db2.gz FPSUVMGQXHBQEX-UHFFFAOYSA-N 0 0 371.275 2.762 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)N[C@@H](C)c2cccs2)cc1 ZINC000183803912 509984281 /nfs/dbraw/zinc/98/42/81/509984281.db2.gz YCUYQGTVVSPEGP-ZDUSSCGKSA-N 0 0 362.451 2.614 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccnn2C(C)(C)C)cc1 ZINC000180610618 510012827 /nfs/dbraw/zinc/01/28/27/510012827.db2.gz RXOGGQBNLVQZND-UHFFFAOYSA-N 0 0 371.485 2.739 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)Cc2cc(C)on2)cc1F ZINC000265381138 510023180 /nfs/dbraw/zinc/02/31/80/510023180.db2.gz YPROMNDDSIMUFD-UHFFFAOYSA-N 0 0 355.435 2.588 20 10 FFCDRN O=C(c1cccc(O)c1O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000187174616 510104035 /nfs/dbraw/zinc/10/40/35/510104035.db2.gz LLKLKNMALPCSJB-AWEZNQCLSA-N 0 0 366.417 2.854 20 10 FFCDRN Cc1cc(N2CCN(C(=O)c3ccc(C)c(O)c3O)CC2)nc(C(C)C)n1 ZINC000177663792 510187640 /nfs/dbraw/zinc/18/76/40/510187640.db2.gz GURFDKLYWPEXFV-UHFFFAOYSA-N 0 0 370.453 2.590 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ccc2nnc(C(F)F)n2n1 ZINC000269040688 510206875 /nfs/dbraw/zinc/20/68/75/510206875.db2.gz CMFSBNHFXKBJGA-UHFFFAOYSA-N 0 0 374.395 2.535 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000269095799 510232604 /nfs/dbraw/zinc/23/26/04/510232604.db2.gz MXHFGTCFHOREPO-OAHLLOKOSA-N 0 0 369.421 2.658 20 10 FFCDRN COc1ccc(C(=O)N2CCN(C)CC2)cc1NCc1cccc(C)c1O ZINC000181006124 510235329 /nfs/dbraw/zinc/23/53/29/510235329.db2.gz CLAFIWIBPFLYOK-UHFFFAOYSA-N 0 0 369.465 2.709 20 10 FFCDRN Cc1c(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)nnn1C ZINC000265864581 510270731 /nfs/dbraw/zinc/27/07/31/510270731.db2.gz DUURYOAVANUMKH-UHFFFAOYSA-N 0 0 353.426 2.625 20 10 FFCDRN CO[C@H](C)CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000181088053 510271397 /nfs/dbraw/zinc/27/13/97/510271397.db2.gz UZHMKEXXRMZMAW-CYBMUJFWSA-N 0 0 374.403 2.973 20 10 FFCDRN COc1ncc(C)cc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000174977728 510416972 /nfs/dbraw/zinc/41/69/72/510416972.db2.gz CRUHFPWJKPMAPT-UHFFFAOYSA-N 0 0 370.453 2.899 20 10 FFCDRN COC[C@H](NCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccc(C)o1 ZINC000184638524 510433615 /nfs/dbraw/zinc/43/36/15/510433615.db2.gz GWMYTHJCZLOFBP-SFHVURJKSA-N 0 0 359.470 2.590 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1ccc(F)c(F)c1[O-] ZINC000187800911 510444219 /nfs/dbraw/zinc/44/42/19/510444219.db2.gz PJZUSPOQENYBDL-KWQFWETISA-N 0 0 352.303 2.874 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(Cl)nc(N2CCCC2)c1 ZINC000269521537 510445447 /nfs/dbraw/zinc/44/54/47/510445447.db2.gz ZCYMNDQNWMCEGG-UHFFFAOYSA-N 0 0 361.829 2.719 20 10 FFCDRN COc1cc(Cl)cc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000184703114 510472609 /nfs/dbraw/zinc/47/26/09/510472609.db2.gz WGVOSELQIGMMGZ-CABCVRRESA-N 0 0 367.829 2.972 20 10 FFCDRN Cc1ccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)c(O)c1O ZINC000181837096 510619741 /nfs/dbraw/zinc/61/97/41/510619741.db2.gz QIOGZHVDXBEJMW-UHFFFAOYSA-N 0 0 374.824 2.658 20 10 FFCDRN O=C(C[C@H]1Oc2ccccc2NC1=O)NCc1c(O)ccc2c1CCCC2 ZINC000266549891 510652588 /nfs/dbraw/zinc/65/25/88/510652588.db2.gz MYQPSZATFMDLMI-LJQANCHMSA-N 0 0 366.417 2.677 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)N1CCS[C@@H]2CCCC[C@H]21 ZINC000175474985 510658904 /nfs/dbraw/zinc/65/89/04/510658904.db2.gz UOCRDMFTHJASKP-HUUCEWRRSA-N 0 0 353.509 2.980 20 10 FFCDRN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N(C)Cc2ccccc2O)cc1 ZINC000175504107 510666778 /nfs/dbraw/zinc/66/67/78/510666778.db2.gz KGBRYEFNVHLNIV-GOSISDBHSA-N 0 0 352.434 2.850 20 10 FFCDRN C[C@H]1CC[C@@H](CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)O1 ZINC000175529382 510671834 /nfs/dbraw/zinc/67/18/34/510671834.db2.gz YPEYFHVEPVULSD-JXFKEZNVSA-N 0 0 360.498 2.859 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCCC(=O)N2)cc1 ZINC000270249452 510734766 /nfs/dbraw/zinc/73/47/66/510734766.db2.gz MAJQCFQLMRTGLG-SFHVURJKSA-N 0 0 355.438 2.543 20 10 FFCDRN COC1CCN(c2ccc(C[N@@H+]3CCCN(C(=O)C(C)C)CC3)cc2)CC1 ZINC000297253528 510873447 /nfs/dbraw/zinc/87/34/47/510873447.db2.gz VMXUURKWMHKSBH-UHFFFAOYSA-N 0 0 373.541 2.992 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1 ZINC000275614566 510908010 /nfs/dbraw/zinc/90/80/10/510908010.db2.gz VGKVXNVCNNXZML-RBUKOAKNSA-N 0 0 356.470 2.660 20 10 FFCDRN Cc1noc(C)c1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275785145 510918095 /nfs/dbraw/zinc/91/80/95/510918095.db2.gz WMYLAEBQVRZLKP-UHFFFAOYSA-N 0 0 358.442 2.733 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CC2OCCCO2)cc1 ZINC000275872292 510920406 /nfs/dbraw/zinc/92/04/06/510920406.db2.gz JVEXONVXZPHBHK-UHFFFAOYSA-N 0 0 360.376 2.797 20 10 FFCDRN CC[C@@H](N[C@@H](C(N)=O)c1ccccn1)c1cc(Br)ccc1O ZINC000297428711 510942326 /nfs/dbraw/zinc/94/23/26/510942326.db2.gz VDBLPHQDMBGLBN-IUODEOHRSA-N 0 0 364.243 2.817 20 10 FFCDRN COc1cncc(C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n1 ZINC000276571283 510942880 /nfs/dbraw/zinc/94/28/80/510942880.db2.gz LXIOXXLGFSEEKN-UHFFFAOYSA-N 0 0 366.421 2.987 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCOCC(F)F)cc2F)C[C@H](C)O1 ZINC000276922246 510949408 /nfs/dbraw/zinc/94/94/08/510949408.db2.gz QEMYVWVDDKHAPS-BETUJISGSA-N 0 0 374.403 2.727 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000277062702 510952997 /nfs/dbraw/zinc/95/29/97/510952997.db2.gz JAMMCSMQMVYLGS-FRRDWIJNSA-N 0 0 366.458 2.694 20 10 FFCDRN CO[C@@](C)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1F ZINC000277129151 510955887 /nfs/dbraw/zinc/95/58/87/510955887.db2.gz TZMCIQDUBMGQBO-OAQYLSRUSA-N 0 0 372.440 2.840 20 10 FFCDRN CN1C(=O)N(Cc2ccc(N3CCOCC3)cc2)C(=O)[C@H]1c1ccccc1 ZINC000277202812 510956538 /nfs/dbraw/zinc/95/65/38/510956538.db2.gz DVOQBXVGARUWBE-LJQANCHMSA-N 0 0 365.433 2.659 20 10 FFCDRN CC(C)c1noc(CCC(=O)NCc2cccc(Br)c2O)n1 ZINC000277415615 510961533 /nfs/dbraw/zinc/96/15/33/510961533.db2.gz CNOSISFUVDLNPZ-UHFFFAOYSA-N 0 0 368.231 2.910 20 10 FFCDRN CC(C)(C)OC(=O)CCNC(=O)NCc1cccc(Br)c1O ZINC000277491980 510964681 /nfs/dbraw/zinc/96/46/81/510964681.db2.gz QMYRIXSHDVYZAP-UHFFFAOYSA-N 0 0 373.247 2.686 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1CSCCS1 ZINC000277499886 510964793 /nfs/dbraw/zinc/96/47/93/510964793.db2.gz VKQKHZCHWHKVFN-LBPRGKRZSA-N 0 0 372.899 2.658 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ncsc1C(F)(F)F ZINC000277696312 510968552 /nfs/dbraw/zinc/96/85/52/510968552.db2.gz OBCZDDHHCQQSEB-UHFFFAOYSA-N 0 0 371.384 2.929 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1(N2CCOCC2)CC1 ZINC000277663225 510969333 /nfs/dbraw/zinc/96/93/33/510969333.db2.gz RHBDCECQRXGTCE-UHFFFAOYSA-N 0 0 374.529 2.537 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@@H]1CCC[C@H]1CCO ZINC000277850422 510974856 /nfs/dbraw/zinc/97/48/56/510974856.db2.gz ZKLFGBUVUZPYDP-GXFFZTMASA-N 0 0 357.248 2.505 20 10 FFCDRN CCC[C@@H](C)c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000278079876 510981064 /nfs/dbraw/zinc/98/10/64/510981064.db2.gz NPDOPUXRNYPHRV-OAHLLOKOSA-N 0 0 372.469 2.873 20 10 FFCDRN C[C@H](C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)N(C)CC(F)(F)F ZINC000278368426 510990605 /nfs/dbraw/zinc/99/06/05/510990605.db2.gz MDQBJNCTHLCEGY-UKRRQHHQSA-N 0 0 374.403 2.782 20 10 FFCDRN C[C@@H]1CN(C(=O)/C=C/c2cnc3ccccc3n2)c2ccccc2C(=O)N1 ZINC000361146118 511001043 /nfs/dbraw/zinc/00/10/43/511001043.db2.gz WQPDIEQFPGJKMA-PLSXKVAHSA-N 0 0 358.401 2.808 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2cc(Cl)c(F)cc2[O-])c1 ZINC000294245079 511003235 /nfs/dbraw/zinc/00/32/35/511003235.db2.gz NAVIFHDMTPJDGR-JTQLQIEISA-N 0 0 372.849 2.944 20 10 FFCDRN C[C@H]1C[C@@H](NC(=O)NCc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000278866783 511011486 /nfs/dbraw/zinc/01/14/86/511011486.db2.gz XQGYDYRVKWIOSA-ZFWWWQNUSA-N 0 0 363.458 2.979 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cc([C@H]3CCCO3)nn2C)cc1F ZINC000278993849 511016013 /nfs/dbraw/zinc/01/60/13/511016013.db2.gz MWSMZHJZCASPTF-MRXNPFEDSA-N 0 0 361.421 2.798 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nc(Cl)cs1 ZINC000279037566 511017535 /nfs/dbraw/zinc/01/75/35/511017535.db2.gz NMFGRKKELDMHHP-UHFFFAOYSA-N 0 0 369.849 2.827 20 10 FFCDRN CN(C)C(=O)C[C@H]1CN(C(=O)c2cccc(O)c2O)c2ccc(Cl)cc21 ZINC000279267511 511023517 /nfs/dbraw/zinc/02/35/17/511023517.db2.gz KATQJCMNOOINHK-NSHDSACASA-N 0 0 374.824 2.974 20 10 FFCDRN C[C@](O)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000286404547 511024677 /nfs/dbraw/zinc/02/46/77/511024677.db2.gz UMROXNRXFGFTBZ-SCLBCKFNSA-N 0 0 354.397 2.534 20 10 FFCDRN O=C(NC[C@@H]1CCSC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000279320733 511044260 /nfs/dbraw/zinc/04/42/60/511044260.db2.gz PISPPLALINXBQL-HOCLYGCPSA-N 0 0 350.484 2.836 20 10 FFCDRN CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)cc1[O-] ZINC000287507358 511051907 /nfs/dbraw/zinc/05/19/07/511051907.db2.gz NZNSNFUTAMJPSH-KRWDZBQOSA-N 0 0 367.442 2.538 20 10 FFCDRN COc1cc(N(C)Cc2nc(-c3ccccn3)no2)cc(OC)c1OC ZINC000361490464 511060089 /nfs/dbraw/zinc/06/00/89/511060089.db2.gz LFHWKOZXSDTKOE-UHFFFAOYSA-N 0 0 356.382 2.794 20 10 FFCDRN C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000288439877 511075232 /nfs/dbraw/zinc/07/52/32/511075232.db2.gz DWIKKCVRIXNCKK-YWZLYKJASA-N 0 0 367.449 2.845 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@H]1COc2ccccc21 ZINC000288655908 511082201 /nfs/dbraw/zinc/08/22/01/511082201.db2.gz FUKHEVNPICHLQG-ZDUSSCGKSA-N 0 0 372.808 2.986 20 10 FFCDRN COc1cccc(CNc2cccc(N3C(=O)N[C@@H](C)C3=O)c2C)c1O ZINC000288646827 511082907 /nfs/dbraw/zinc/08/29/07/511082907.db2.gz UTSKWDUDXZYGDF-LBPRGKRZSA-N 0 0 355.394 2.766 20 10 FFCDRN CCS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000282775971 511107904 /nfs/dbraw/zinc/10/79/04/511107904.db2.gz WOQJCAQKOZKTJW-CYBMUJFWSA-N 0 0 372.918 2.627 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@@H](c3ncc4n3CCCC4)C2)c(O)c1O ZINC000282800278 511116492 /nfs/dbraw/zinc/11/64/92/511116492.db2.gz OBBABEZPQZHFPV-CQSZACIVSA-N 0 0 355.438 2.959 20 10 FFCDRN CCN(Cc1noc(CCOC)n1)Cc1cc(Br)ccc1O ZINC000290085913 511126737 /nfs/dbraw/zinc/12/67/37/511126737.db2.gz VMDAZSCTTWESRN-UHFFFAOYSA-N 0 0 370.247 2.749 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCc2nnc(C3CC3)[nH]2)C2CC2)cc1 ZINC000298011361 511141407 /nfs/dbraw/zinc/14/14/07/511141407.db2.gz DWMGGZJNOCKISA-UHFFFAOYSA-N 0 0 354.458 2.622 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)CCC(C)(C)C)cc1C ZINC000290657016 511147622 /nfs/dbraw/zinc/14/76/22/511147622.db2.gz NLNNIQKLSYEAQT-UHFFFAOYSA-N 0 0 362.517 2.935 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CCC1(F)F ZINC000290689886 511148507 /nfs/dbraw/zinc/14/85/07/511148507.db2.gz JRCVZIDLHJKALX-AWEZNQCLSA-N 0 0 353.413 2.710 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccn2ccnc2c1 ZINC000290856536 511151256 /nfs/dbraw/zinc/15/12/56/511151256.db2.gz ZWUARHJJWSSRMG-UHFFFAOYSA-N 0 0 365.437 2.835 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCCC[C@H]1c1nnc(CC(F)(F)F)o1 ZINC000290800607 511152178 /nfs/dbraw/zinc/15/21/78/511152178.db2.gz YDEAUFFRCBANAV-JTQLQIEISA-N 0 0 371.315 2.953 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CCCN1CC(F)(F)F ZINC000291309130 511165362 /nfs/dbraw/zinc/16/53/62/511165362.db2.gz GSWJJHFMVKSQAQ-CQSZACIVSA-N 0 0 357.376 2.505 20 10 FFCDRN CCn1ccnc(NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c1=O ZINC000271331067 511166669 /nfs/dbraw/zinc/16/66/69/511166669.db2.gz AJVIMASTMBFKTD-KBPBESRZSA-N 0 0 360.433 2.628 20 10 FFCDRN CCOCc1nc([C@H](C)NC(=O)N(C)Cc2ccc(N(C)C)cc2)no1 ZINC000291413534 511188335 /nfs/dbraw/zinc/18/83/35/511188335.db2.gz HZVDESIGBQWPFD-ZDUSSCGKSA-N 0 0 361.446 2.575 20 10 FFCDRN Cc1cc(=O)cc(C)n1CCCC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000291455629 511204429 /nfs/dbraw/zinc/20/44/29/511204429.db2.gz JBTSVYSTFGSDMG-UHFFFAOYSA-N 0 0 369.465 2.737 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCN(c2ccccc2F)C1 ZINC000291492087 511218554 /nfs/dbraw/zinc/21/85/54/511218554.db2.gz BKTFNAUASQHMQO-HIFRSBDPSA-N 0 0 358.413 2.811 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1cnccn1 ZINC000279895543 511256609 /nfs/dbraw/zinc/25/66/09/511256609.db2.gz MIDFWEVNMMOEJL-UHFFFAOYSA-N 0 0 364.243 2.926 20 10 FFCDRN CON(C)C(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000298390531 511268484 /nfs/dbraw/zinc/26/84/84/511268484.db2.gz QTSCPDMUXAJJOA-LUAWRHEFSA-N 0 0 356.494 2.749 20 10 FFCDRN CO[C@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000295073168 511272654 /nfs/dbraw/zinc/27/26/54/511272654.db2.gz SGQOGBOATRPSNP-UXHICEINSA-N 0 0 360.498 2.717 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)c2cccnc2)cc1F ZINC000283223453 511283435 /nfs/dbraw/zinc/28/34/35/511283435.db2.gz VAOFKFQDLPBQSP-CQSZACIVSA-N 0 0 372.444 2.561 20 10 FFCDRN Cc1ccoc1CN(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000291749056 511321587 /nfs/dbraw/zinc/32/15/87/511321587.db2.gz ZNLAOCWELGXMLI-UHFFFAOYSA-N 0 0 361.417 2.905 20 10 FFCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000280102057 511337110 /nfs/dbraw/zinc/33/71/10/511337110.db2.gz BMPFYEBHZMODSL-NRFANRHFSA-N 0 0 373.497 2.766 20 10 FFCDRN Cc1cc(C(=O)NCCCOC[C@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000298659476 511365463 /nfs/dbraw/zinc/36/54/63/511365463.db2.gz HUMPRCXEZLXQOU-QGZVFWFLSA-N 0 0 357.454 2.805 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N(Cc2cccs2)C2CC2)cc1 ZINC000283515776 511397431 /nfs/dbraw/zinc/39/74/31/511397431.db2.gz OIPIXNFHHZVYOI-UHFFFAOYSA-N 0 0 357.479 2.622 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)O[C@@]3(CCOC3)C2)cc1 ZINC000280283473 511405893 /nfs/dbraw/zinc/40/58/93/511405893.db2.gz OHAUSPKFSUFTGN-JXFKEZNVSA-N 0 0 361.486 2.622 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccn(C(C)C)n2)cc1 ZINC000280301628 511413527 /nfs/dbraw/zinc/41/35/27/511413527.db2.gz IXNHETNKLSMSBC-UHFFFAOYSA-N 0 0 357.458 2.565 20 10 FFCDRN Cc1csc2ncc(C(=O)NCc3ccc(N4CCCC4)cc3)c(=O)n12 ZINC000272081154 511425003 /nfs/dbraw/zinc/42/50/03/511425003.db2.gz MUAAYYPGQPNBPX-UHFFFAOYSA-N 0 0 368.462 2.595 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cn(C)nc2C(C)C)cc1 ZINC000280339572 511428310 /nfs/dbraw/zinc/42/83/10/511428310.db2.gz MARPLXJLYXVSIE-UHFFFAOYSA-N 0 0 371.485 2.645 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC(c4ccncn4)CC3)ccc21 ZINC000298849944 511430527 /nfs/dbraw/zinc/43/05/27/511430527.db2.gz IWPWYJZFAJVROP-UHFFFAOYSA-N 0 0 365.481 2.948 20 10 FFCDRN CC(C)OCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000298867905 511436346 /nfs/dbraw/zinc/43/63/46/511436346.db2.gz SSDLIJLMLYAMFQ-GASCZTMLSA-N 0 0 352.450 2.871 20 10 FFCDRN CCOC(=O)c1ccc(CS(=O)(=O)N(C)Cc2ccccc2O)cc1 ZINC000295592971 511454688 /nfs/dbraw/zinc/45/46/88/511454688.db2.gz MQTWYPNTCPXMBO-UHFFFAOYSA-N 0 0 363.435 2.531 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)OC)CC1 ZINC000283688793 511462790 /nfs/dbraw/zinc/46/27/90/511462790.db2.gz IMLNTWGNYTXFPX-UHFFFAOYSA-N 0 0 363.458 2.935 20 10 FFCDRN CCOCCCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298992528 511476723 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FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cnn(C)c2Br)cc1 ZINC000273165804 511519043 /nfs/dbraw/zinc/51/90/43/511519043.db2.gz ARNQDDZQCOOFSW-UHFFFAOYSA-N 0 0 351.248 2.521 20 10 FFCDRN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273162239 511519077 /nfs/dbraw/zinc/51/90/77/511519077.db2.gz KSMTZXSACANWGX-GXTWGEPZSA-N 0 0 357.406 2.815 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000273190453 511520929 /nfs/dbraw/zinc/52/09/29/511520929.db2.gz PROCNCMAMQFACA-JSGCOSHPSA-N 0 0 364.442 2.545 20 10 FFCDRN C[C@]1(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO[C@H]1C1CC1 ZINC000273351662 511523218 /nfs/dbraw/zinc/52/32/18/511523218.db2.gz RYSUSDYRBXQREM-ZVCYJJEASA-N 0 0 356.466 2.610 20 10 FFCDRN CC(C)NC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000280594823 511524543 /nfs/dbraw/zinc/52/45/43/511524543.db2.gz QPQNHEFASQKXPH-ZDUSSCGKSA-N 0 0 371.437 2.989 20 10 FFCDRN C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273456544 511526452 /nfs/dbraw/zinc/52/64/52/511526452.db2.gz HCHMWMWNMNMADA-SOVGHPHASA-N 0 0 363.458 2.719 20 10 FFCDRN COC(=O)COc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273544146 511530856 /nfs/dbraw/zinc/53/08/56/511530856.db2.gz ZCZQLLRCPYXWOP-GFCCVEGCSA-N 0 0 360.366 2.703 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2cn(C)nc2C(F)(F)F)c1 ZINC000273524487 511531205 /nfs/dbraw/zinc/53/12/05/511531205.db2.gz UWSHBJACHLCNMW-VIFPVBQESA-N 0 0 357.332 2.782 20 10 FFCDRN O=C(CCn1cnc2ccccc21)NCc1ccc(N2CCOCC2)cc1 ZINC000299161881 511535614 /nfs/dbraw/zinc/53/56/14/511535614.db2.gz ZBZDUUOEWSPDFJ-UHFFFAOYSA-N 0 0 364.449 2.579 20 10 FFCDRN Cc1noc(C2CN(C(=O)NCc3ccc(N4CCC(C)CC4)cc3)C2)n1 ZINC000365597701 511551924 /nfs/dbraw/zinc/55/19/24/511551924.db2.gz QTDCYKUBSTYWFK-UHFFFAOYSA-N 0 0 369.469 2.923 20 10 FFCDRN C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000295935006 511560767 /nfs/dbraw/zinc/56/07/67/511560767.db2.gz SQKOGXHRKHABFT-PWSUYJOCSA-N 0 0 368.405 2.612 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COc1ccc(N2CCN(c3c4c(ccc3[N+](=O)[O-])NCC4)CC2)cc1 ZINC000302842730 511716883 /nfs/dbraw/zinc/71/68/83/511716883.db2.gz MRFFLGCHDGNKIQ-UHFFFAOYSA-N 0 0 354.410 2.898 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCn3cc(C)nc3C2)cc1F ZINC000363711901 511717393 /nfs/dbraw/zinc/71/73/93/511717393.db2.gz KGMJQAZPHFBPCK-UHFFFAOYSA-N 0 0 359.449 2.902 20 10 FFCDRN CC[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(N(C)C)cc1 ZINC000284430721 511721015 /nfs/dbraw/zinc/72/10/15/511721015.db2.gz RZORCXDQTQZXOP-LJQANCHMSA-N 0 0 368.481 2.873 20 10 FFCDRN CO[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1cnn(C)c1 ZINC000281111766 511724248 /nfs/dbraw/zinc/72/42/48/511724248.db2.gz BJNTYCBCIJFWQM-LJQANCHMSA-N 0 0 356.470 2.660 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(OC2COC2)cc1 ZINC000281159361 511742680 /nfs/dbraw/zinc/74/26/80/511742680.db2.gz WSNMUUMDZOJTNJ-LBPRGKRZSA-N 0 0 358.394 2.628 20 10 FFCDRN CC(=O)CCc1ccc(OCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000274187996 511748420 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Nc1ccc(CNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000296813760 511908584 /nfs/dbraw/zinc/90/85/84/511908584.db2.gz ACISKVXNNIXFSN-UHFFFAOYSA-N 0 0 358.463 2.915 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@@H]1C[C@]12CCOC2 ZINC000364094969 511956383 /nfs/dbraw/zinc/95/63/83/511956383.db2.gz HQJJJBAUMBUFCQ-BBRMVZONSA-N 0 0 354.244 2.930 20 10 FFCDRN COc1ccc(C(=O)CCC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000274914907 511986382 /nfs/dbraw/zinc/98/63/82/511986382.db2.gz JUNNJHZEABMYLO-CYBMUJFWSA-N 0 0 357.406 2.817 20 10 FFCDRN CCCN(CCC)C(=O)CCCC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000274929044 511990481 /nfs/dbraw/zinc/99/04/81/511990481.db2.gz NBSDYEZQUWBLPJ-OAHLLOKOSA-N 0 0 364.486 2.964 20 10 FFCDRN CC(C)C[C@H]1C(=O)NCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000297047373 511999843 /nfs/dbraw/zinc/99/98/43/511999843.db2.gz BOHQEHUQKCNEGZ-IBGZPJMESA-N 0 0 370.497 2.509 20 10 FFCDRN CNC(=O)C1(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)CC1 ZINC000282013000 512046153 /nfs/dbraw/zinc/04/61/53/512046153.db2.gz IVPVTFZGLZRJFS-ZDUSSCGKSA-N 0 0 363.889 2.719 20 10 FFCDRN COc1cccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)c1F ZINC000285240447 512049521 /nfs/dbraw/zinc/04/95/21/512049521.db2.gz YRDAGKIGOZNCQR-UHFFFAOYSA-N 0 0 372.440 2.920 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)C(=O)N1CCCC1 ZINC000282057762 512062420 /nfs/dbraw/zinc/06/24/20/512062420.db2.gz ZSVDZIRXJTVGFS-KRWDZBQOSA-N 0 0 372.513 2.733 20 10 FFCDRN COCc1cc(NC(=O)N(C)Cc2ccccc2O)cc(C(=O)OC)c1 ZINC000297249896 512076161 /nfs/dbraw/zinc/07/61/61/512076161.db2.gz BVEFVAJLVMAFJF-UHFFFAOYSA-N 0 0 358.394 2.989 20 10 FFCDRN COc1ccc(CNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c(O)c1 ZINC000373658479 512446046 /nfs/dbraw/zinc/44/60/46/512446046.db2.gz GBXCZARTEHLDOB-CQSZACIVSA-N 0 0 354.406 2.608 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c(O)c1 ZINC000375681347 512453392 /nfs/dbraw/zinc/45/33/92/512453392.db2.gz YUDGIUXTQUSUAI-HNNXBMFYSA-N 0 0 358.442 2.535 20 10 FFCDRN COc1cc2c(cc1OC)CCN(C(=O)/C=C/c1ccc(O)c(O)c1)CC2 ZINC000371553543 512461907 /nfs/dbraw/zinc/46/19/07/512461907.db2.gz NWWVCAWYLSXABA-GQCTYLIASA-N 0 0 369.417 2.756 20 10 FFCDRN COc1c(O)c(CNc2cn(C)nc2-c2ccccn2)ccc1[N+](=O)[O-] ZINC000375734746 512478644 /nfs/dbraw/zinc/47/86/44/512478644.db2.gz XTKDFRNCZHALIY-UHFFFAOYSA-N 0 0 355.354 2.717 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000373746316 512484769 /nfs/dbraw/zinc/48/47/69/512484769.db2.gz RYQIXQRKMCBGEO-CQSZACIVSA-N 0 0 351.406 3.000 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000370032496 512735605 /nfs/dbraw/zinc/73/56/05/512735605.db2.gz LKNYAGDHBFALDR-BDJLRTHQSA-N 0 0 372.259 2.543 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H](c3ccnn3C)C2)cc1F ZINC000374791780 513005516 /nfs/dbraw/zinc/00/55/16/513005516.db2.gz FGHBMCGFZKXEDG-OAHLLOKOSA-N 0 0 359.449 2.714 20 10 FFCDRN CO[C@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000377026070 513093012 /nfs/dbraw/zinc/09/30/12/513093012.db2.gz DQMXQYROKTXSEY-GFCCVEGCSA-N 0 0 357.401 2.591 20 10 FFCDRN [NH3+]C1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCC1 ZINC000370779499 513096225 /nfs/dbraw/zinc/09/62/25/513096225.db2.gz KMPRISHTVCUKKK-UHFFFAOYSA-N 0 0 353.413 2.645 20 10 FFCDRN Cc1cc(C(=O)Nc2cccnc2-n2cncn2)c(C)n1-c1ccccn1 ZINC000368828666 513116694 /nfs/dbraw/zinc/11/66/94/513116694.db2.gz DUWPFGKRZFBYDQ-UHFFFAOYSA-N 0 0 359.393 2.717 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N=c3nc[nH]n3C(C)C)ccc21 ZINC000412910455 513337749 /nfs/dbraw/zinc/33/77/49/513337749.db2.gz FWTXAWWXOKXSTI-UHFFFAOYSA-N 0 0 355.442 2.751 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@@H](C1CC1)C1CCC1 ZINC000422389838 513744349 /nfs/dbraw/zinc/74/43/49/513744349.db2.gz ZLQWTTQNKDBADQ-LJQANCHMSA-N 0 0 353.466 2.798 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cn1ncc(=O)c2ccccc21 ZINC000471225923 514804183 /nfs/dbraw/zinc/80/41/83/514804183.db2.gz IRRKHEAOLDIGJP-UHFFFAOYSA-N 0 0 360.417 2.513 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCOc1ccc(C(N)=O)cc1 ZINC000471227951 514807842 /nfs/dbraw/zinc/80/78/42/514807842.db2.gz NCOGZQBWQWXVQH-UHFFFAOYSA-N 0 0 365.433 2.671 20 10 FFCDRN CC(=O)NCC[C@@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000503370395 515014016 /nfs/dbraw/zinc/01/40/16/515014016.db2.gz NUUQXMCYLMOROJ-KRWDZBQOSA-N 0 0 370.497 2.935 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc2c1CC(=O)CC2 ZINC000463957148 515671852 /nfs/dbraw/zinc/67/18/52/515671852.db2.gz FSYICSAUAXLWBE-UHFFFAOYSA-N 0 0 350.418 2.850 20 10 FFCDRN COC(=O)C1=CC(NC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)=S=C1 ZINC000531603140 516548254 /nfs/dbraw/zinc/54/82/54/516548254.db2.gz ZBYCQEMFOVKXGV-UHFFFAOYSA-N 0 0 369.398 2.657 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCn2cccc2[C@H]1C ZINC000561629080 516688889 /nfs/dbraw/zinc/68/88/89/516688889.db2.gz ZSKBDQQPPIKPMJ-OAHLLOKOSA-N 0 0 364.449 2.508 20 10 FFCDRN C[C@]1(Br)C[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000529169015 516977247 /nfs/dbraw/zinc/97/72/47/516977247.db2.gz HHRSPNPONAYVNW-PELKAZGASA-N 0 0 363.049 2.944 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@H]1CSCN1C(=O)C1CCC1 ZINC000548428739 516979236 /nfs/dbraw/zinc/97/92/36/516979236.db2.gz OYXWOHBTZMXWRZ-GOSISDBHSA-N 0 0 371.506 2.805 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@@H]1CCCCC[C@H]1C(N)=O ZINC000525925141 517236985 /nfs/dbraw/zinc/23/69/85/517236985.db2.gz JMLAKZDYWIYGBU-HZPDHXFCSA-N 0 0 356.470 2.720 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCc2c1cccc2F ZINC000525932894 517242511 /nfs/dbraw/zinc/24/25/11/517242511.db2.gz CDARXGOKNGBBFC-UHFFFAOYSA-N 0 0 365.408 2.831 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CNC(=O)NC1CCCCC1 ZINC000527185723 517549304 /nfs/dbraw/zinc/54/93/04/517549304.db2.gz QGMSPBUHRDYJJB-UHFFFAOYSA-N 0 0 356.470 2.735 20 10 FFCDRN CC[C@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)C[C@@]2(CCOC2)O1 ZINC000527228338 517577455 /nfs/dbraw/zinc/57/74/55/517577455.db2.gz UUBQWFUXAFJMBI-HRAATJIYSA-N 0 0 371.481 2.966 20 10 FFCDRN CCOCc1cc(C[NH2+][C@@]2(CO)COc3ccccc3C2)ccc1OC ZINC000527769309 517901880 /nfs/dbraw/zinc/90/18/80/517901880.db2.gz LRCUNTMBKZSRDT-NRFANRHFSA-N 0 0 357.450 2.688 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc2ncccc2c1 ZINC000530856144 518014834 /nfs/dbraw/zinc/01/48/34/518014834.db2.gz ZSLUVLQHNYSVRM-UHFFFAOYSA-N 0 0 369.446 2.889 20 10 FFCDRN CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H]2CC[C@@H](CO)C2)C1 ZINC000578294538 519516909 /nfs/dbraw/zinc/51/69/09/519516909.db2.gz RGNBNOLPMFZWNK-SJORKVTESA-N 0 0 369.509 2.685 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC3(C(N)=O)CCCC3)ccc21 ZINC000604368572 520539244 /nfs/dbraw/zinc/53/92/44/520539244.db2.gz QXZISUVIAUHJRB-UHFFFAOYSA-N 0 0 371.481 2.680 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC[C@@H](O)C(F)F)ccc21 ZINC000633997257 523123703 /nfs/dbraw/zinc/12/37/03/523123703.db2.gz AQVVCFFXAORUIY-MRXNPFEDSA-N 0 0 354.397 2.650 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000007059923 536700375 /nfs/dbraw/zinc/70/03/75/536700375.db2.gz OBSKNCLMJULZHI-UHFFFAOYSA-N 0 0 366.870 2.860 20 10 FFCDRN C[NH+]1CCC(N2C(=O)/C(=C/c3cccc(C(=O)[O-])c3)SC2=S)CC1 ZINC000820619938 598201147 /nfs/dbraw/zinc/20/11/47/598201147.db2.gz BBADOKQNABPXJA-UVTDQMKNSA-N 0 0 362.476 2.680 20 10 FFCDRN CN(C)C(=O)C1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737349311 600409592 /nfs/dbraw/zinc/40/95/92/600409592.db2.gz ZTWISJAAMTZGNX-UHFFFAOYSA-N 0 0 356.422 2.544 20 10 FFCDRN O=C([O-])NC[C@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000834226316 605573141 /nfs/dbraw/zinc/57/31/41/605573141.db2.gz VXZOBGRWQPBVLR-OAHLLOKOSA-N 0 0 362.430 2.675 20 10 FFCDRN O=C([O-])N1CCC[C@@H]([NH2+]C2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000834105051 605602210 /nfs/dbraw/zinc/60/22/10/605602210.db2.gz XRSCUZFAPATEFY-CQSZACIVSA-N 0 0 369.412 2.989 20 10 FFCDRN O=C([O-])N1CCC[C@@H]1[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000834109764 605987543 /nfs/dbraw/zinc/98/75/43/605987543.db2.gz VOCJRGIKZRPRLI-SLFFLAALSA-N 0 0 373.497 2.924 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000821198949 606515070 /nfs/dbraw/zinc/51/50/70/606515070.db2.gz YWDUZMRSKDWOQB-UHFFFAOYSA-N 0 0 364.453 2.572 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](CCO)CSC)c2C)cc1 ZINC000153077544 728771742 /nfs/dbraw/zinc/77/17/42/728771742.db2.gz WMHALYFQUHHTBZ-OAHLLOKOSA-N 0 0 362.495 2.947 20 10 FFCDRN Cc1cc(F)cc(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000153456369 728780641 /nfs/dbraw/zinc/78/06/41/728780641.db2.gz OUKOICBBYFDKLT-UHFFFAOYSA-N 0 0 353.444 2.828 20 10 FFCDRN CN(C)C(=O)C1(CNC(=O)NCCCSc2nccs2)CCCC1 ZINC000153557550 728783004 /nfs/dbraw/zinc/78/30/04/728783004.db2.gz YPEZJXNHUGTIQG-UHFFFAOYSA-N 0 0 370.544 2.573 20 10 FFCDRN Cn1ccnc1SCc1ccc(C(=O)NCc2ccc(O)c(O)c2)o1 ZINC000158917787 728896825 /nfs/dbraw/zinc/89/68/25/728896825.db2.gz BRLSYVPWXLMPMT-UHFFFAOYSA-N 0 0 359.407 2.647 20 10 FFCDRN COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000897987015 735300444 /nfs/dbraw/zinc/30/04/44/735300444.db2.gz MWMLAZOYFFEXNU-GFCCVEGCSA-N 0 0 353.781 2.793 20 10 FFCDRN O=c1[nH]ncc(N2CC[C@H]([NH2+]Cc3c([O-])ccc(Cl)c3F)C2)c1Cl ZINC000898367751 735348638 /nfs/dbraw/zinc/34/86/38/735348638.db2.gz TXKRYBOVCVIHBB-QMMMGPOBSA-N 0 0 373.215 2.702 20 10 FFCDRN Cc1cccc(O)c1CN1C[C@@H]2[C@](C(F)(F)F)(C1)CCCS2(=O)=O ZINC000898457911 735362899 /nfs/dbraw/zinc/36/28/99/735362899.db2.gz VIRXLLDPSXQBDE-HUUCEWRRSA-N 0 0 363.401 2.642 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCCC(=O)OC(C)(C)C)cc1F ZINC000745788369 735444432 /nfs/dbraw/zinc/44/44/32/735444432.db2.gz ISSZZGFBZHBERN-UHFFFAOYSA-N 0 0 353.438 2.813 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2cccs2)cc1 ZINC000009932541 727803568 /nfs/dbraw/zinc/80/35/68/727803568.db2.gz RLEXNDCWHSOWCC-UHFFFAOYSA-N 0 0 359.495 2.983 20 10 FFCDRN COc1ccc2c(c1)CCCN2Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000027959777 727881716 /nfs/dbraw/zinc/88/17/16/727881716.db2.gz AGZSKISOXKKWBP-UHFFFAOYSA-N 0 0 360.479 2.898 20 10 FFCDRN CCS(=O)(=O)c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000043952804 727976992 /nfs/dbraw/zinc/97/69/92/727976992.db2.gz DKLBSMBVNJLXIJ-UHFFFAOYSA-N 0 0 361.467 2.868 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c(C)s1 ZINC000053697339 728083116 /nfs/dbraw/zinc/08/31/16/728083116.db2.gz JWEAUUINLQPSDO-UHFFFAOYSA-N 0 0 366.508 2.680 20 10 FFCDRN O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)OCC(=O)c1ccc(O)c(O)c1 ZINC000924328846 738403353 /nfs/dbraw/zinc/40/33/53/738403353.db2.gz QQYPTLLCWMXIGK-HZMBPMFUSA-N 0 0 362.300 2.714 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)c3cc4cc(O)c(O)cc4s3)O2)CO1 ZINC000899476942 735501525 /nfs/dbraw/zinc/50/15/25/735501525.db2.gz ODYZCCQQGOLKDZ-MYFIVHGGSA-N 0 0 363.435 2.769 20 10 FFCDRN CCCN(Cc1ccccc1O)CC1=NS(=O)(=O)c2ccccc2N1 ZINC000068973562 728194335 /nfs/dbraw/zinc/19/43/35/728194335.db2.gz ZHEFIDYURIZPDA-UHFFFAOYSA-N 0 0 359.451 2.817 20 10 FFCDRN CCCCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000076196280 728256566 /nfs/dbraw/zinc/25/65/66/728256566.db2.gz UPAODIFGCOXZRV-QGZVFWFLSA-N 0 0 363.527 2.803 20 10 FFCDRN Cc1cc(C(=O)N(C)CCS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 ZINC000076212394 728257346 /nfs/dbraw/zinc/25/73/46/728257346.db2.gz VWTLJTIHIUPPQY-UHFFFAOYSA-N 0 0 368.886 2.864 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000077613211 728279024 /nfs/dbraw/zinc/27/90/24/728279024.db2.gz GKJSQQAQUMCLPE-UHFFFAOYSA-N 0 0 353.827 2.721 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCC[C@H]1O ZINC000077777556 728284752 /nfs/dbraw/zinc/28/47/52/728284752.db2.gz CJFNHJWNEIKYRY-FUHWJXTLSA-N 0 0 363.527 2.590 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@H]1CCCC[C@@H]1O ZINC000077777555 728284815 /nfs/dbraw/zinc/28/48/15/728284815.db2.gz CJFNHJWNEIKYRY-AEFFLSMTSA-N 0 0 363.527 2.590 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)OCCC(C)C)CC2)cc1F ZINC000084814470 728425967 /nfs/dbraw/zinc/42/59/67/728425967.db2.gz VOZYWXXSMBDBDT-OAHLLOKOSA-N 0 0 352.450 2.934 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)CCSC)CC2)cc1F ZINC000084890219 728426804 /nfs/dbraw/zinc/42/68/04/728426804.db2.gz BYBBXJSKCMLVNN-ZDUSSCGKSA-N 0 0 355.479 2.808 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)CSc3ccncc3)CC2)cc1 ZINC000102382099 728490375 /nfs/dbraw/zinc/49/03/75/728490375.db2.gz LYWWPRHGXCLEBO-UHFFFAOYSA-N 0 0 357.479 2.968 20 10 FFCDRN CCC(CC)CS(=O)(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000113283367 728553768 /nfs/dbraw/zinc/55/37/68/728553768.db2.gz SXNTVGVSVVYCMG-HNNXBMFYSA-N 0 0 354.516 2.940 20 10 FFCDRN CCC[C@H](C)N1C[C@@H](C(=O)NCCCSc2nccs2)CC1=O ZINC000114376093 728559997 /nfs/dbraw/zinc/55/99/97/728559997.db2.gz ABUQHQSJQGXOMK-STQMWFEESA-N 0 0 355.529 2.779 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@H](CO)Cc1ccccc1 ZINC000120042546 728604565 /nfs/dbraw/zinc/60/45/65/728604565.db2.gz DFZUGXPGXFMAMU-AWEZNQCLSA-N 0 0 351.497 2.528 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)[C@H](CO)SC)cc1F ZINC000120314281 728609634 /nfs/dbraw/zinc/60/96/34/728609634.db2.gz JWMRDQPBXJHAMM-WBMJQRKESA-N 0 0 357.495 2.584 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCCOc2ccc(F)cc2)cc1F ZINC000121765157 728638714 /nfs/dbraw/zinc/63/87/14/728638714.db2.gz CKCFTPHXSZGFRK-UHFFFAOYSA-N 0 0 350.365 2.605 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(Br)c(F)c1 ZINC000122377189 728646914 /nfs/dbraw/zinc/64/69/14/728646914.db2.gz JVLBAXURIAIZCK-UHFFFAOYSA-N 0 0 354.175 2.972 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCC[C@H](C)[S@@](C)=O)cc1F ZINC000122690830 728650705 /nfs/dbraw/zinc/65/07/05/728650705.db2.gz BPFHSJVKQZSIFP-RZFZLAGVSA-N 0 0 357.495 2.628 20 10 FFCDRN C[C@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCCO1 ZINC000133384183 728726837 /nfs/dbraw/zinc/72/68/37/728726837.db2.gz VKUSYLIDWBHQOU-GOSISDBHSA-N 0 0 354.397 2.942 20 10 FFCDRN C[C@H](CO)[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000134913732 728734054 /nfs/dbraw/zinc/73/40/54/728734054.db2.gz AUZZCHBPCBACHJ-RNFRBKRXSA-N 0 0 353.054 2.949 20 10 FFCDRN O=C(NCCCF)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000137315919 728740266 /nfs/dbraw/zinc/74/02/66/728740266.db2.gz VWJUQGIVCVMGJB-UHFFFAOYSA-N 0 0 363.355 2.701 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000151375377 728745218 /nfs/dbraw/zinc/74/52/18/728745218.db2.gz SMWUWCWFKRFLEC-UHFFFAOYSA-N 0 0 363.439 2.623 20 10 FFCDRN CCC(CC)(CNC(=O)NCc1ccc(N(C)C)c(F)c1)C(=O)OC ZINC000163331814 728955952 /nfs/dbraw/zinc/95/59/52/728955952.db2.gz OSZLLJKVFUIQOW-UHFFFAOYSA-N 0 0 353.438 2.670 20 10 FFCDRN COCc1csc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000174397405 729070911 /nfs/dbraw/zinc/07/09/11/729070911.db2.gz HWEVHCULKUDXRX-UHFFFAOYSA-N 0 0 362.455 2.652 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cccc(Cl)c1Cl ZINC000179945756 729199127 /nfs/dbraw/zinc/19/91/27/729199127.db2.gz LKJMORDRBAIDHQ-UHFFFAOYSA-N 0 0 369.204 2.702 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)c(C)c1F ZINC000181620261 729253516 /nfs/dbraw/zinc/25/35/16/729253516.db2.gz GNHLRMHNBKAXAE-UHFFFAOYSA-N 0 0 352.431 2.687 20 10 FFCDRN COc1ccc(N(C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])cc1F ZINC000181998815 729266279 /nfs/dbraw/zinc/26/62/79/729266279.db2.gz AWXCQQBZFDCJKP-CYBMUJFWSA-N 0 0 350.346 2.619 20 10 FFCDRN Cc1ccc(CS(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cc1F ZINC000184127971 729320755 /nfs/dbraw/zinc/32/07/55/729320755.db2.gz FGKJORXQQQIORU-UHFFFAOYSA-N 0 0 354.422 2.959 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(F)cc2[nH]c(=S)[nH]c21 ZINC000186423460 729364916 /nfs/dbraw/zinc/36/49/16/729364916.db2.gz VQSGOAOPRYFPMZ-MRVPVSSYSA-N 0 0 361.398 2.763 20 10 FFCDRN C[C@H](CC1CCCCC1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000192554076 729452387 /nfs/dbraw/zinc/45/23/87/729452387.db2.gz PKXIJCOEEUSUBI-GFCCVEGCSA-N 0 0 354.472 2.852 20 10 FFCDRN O=S(=O)(c1cccc2nsnc21)N(c1ccccc1)[C@H]1CCOC1 ZINC000192837373 729460762 /nfs/dbraw/zinc/46/07/62/729460762.db2.gz FTTPIBLOUSGQDN-ZDUSSCGKSA-N 0 0 361.448 2.676 20 10 FFCDRN O=S(=O)(c1cccc2nsnc21)N(c1ccccc1)[C@@H]1CCOC1 ZINC000192837357 729460937 /nfs/dbraw/zinc/46/09/37/729460937.db2.gz FTTPIBLOUSGQDN-CYBMUJFWSA-N 0 0 361.448 2.676 20 10 FFCDRN CCN(CC)c1ccc(CNc2ccc(S(=O)(=O)N(C)C)cn2)cc1 ZINC000193713992 729487746 /nfs/dbraw/zinc/48/77/46/729487746.db2.gz XWHTUTLLOAHLMD-UHFFFAOYSA-N 0 0 362.499 2.790 20 10 FFCDRN O=C(CSC(F)(F)F)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000194058807 729498443 /nfs/dbraw/zinc/49/84/43/729498443.db2.gz YULXJPYZDQKSJN-UHFFFAOYSA-N 0 0 362.417 2.765 20 10 FFCDRN CN1CCCN(S(=O)(=O)c2cccc3nsnc32)c2ccccc21 ZINC000194780015 729520054 /nfs/dbraw/zinc/52/00/54/729520054.db2.gz REYXZWAHXCDWRS-UHFFFAOYSA-N 0 0 360.464 2.727 20 10 FFCDRN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000779028341 738430840 /nfs/dbraw/zinc/43/08/40/738430840.db2.gz HFFXNQPYMBQTGY-LRDDRELGSA-N 0 0 354.422 2.645 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CC12CCSCC2 ZINC000856207831 730316186 /nfs/dbraw/zinc/31/61/86/730316186.db2.gz MXQMQCHNSAABCU-GOSISDBHSA-N 0 0 360.523 2.797 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1cc(Cl)c2c(c1)OCCO2 ZINC000779498408 738468169 /nfs/dbraw/zinc/46/81/69/738468169.db2.gz QXMZPZDTZDINAK-DUXPYHPUSA-N 0 0 361.781 2.852 20 10 FFCDRN COc1cccc(O)c1CN1CC(O)(c2cccc(Br)c2)C1 ZINC000857069735 730377370 /nfs/dbraw/zinc/37/73/70/730377370.db2.gz RMNWLNMJAWOBLD-UHFFFAOYSA-N 0 0 364.239 2.867 20 10 FFCDRN CC[C@H]([NH2+]C[C@@]1(CO)COCC2(CCC2)N1C)c1cccc(Cl)c1[O-] ZINC000858465915 730426508 /nfs/dbraw/zinc/42/65/08/730426508.db2.gz QGRITCHIIRMCOK-QFBILLFUSA-N 0 0 368.905 2.702 20 10 FFCDRN O=C(Cn1ccc(C(F)F)n1)NCc1ccc(N2CCSCC2)cc1 ZINC000858589981 730429292 /nfs/dbraw/zinc/42/92/92/730429292.db2.gz FTYGWGYUHOMHSN-UHFFFAOYSA-N 0 0 366.437 2.690 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3[C@H](C)O[C@H](C)[C@H]3C)CC2)cc1F ZINC000859966484 730470760 /nfs/dbraw/zinc/47/07/60/730470760.db2.gz YXYVZMCIPDMGSV-ZXTQRBJTSA-N 0 0 350.434 2.542 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000860606114 730529439 /nfs/dbraw/zinc/52/94/39/730529439.db2.gz SKCFUXIUVLARIZ-JJHQXXDFSA-N 0 0 369.845 2.607 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c1 ZINC000860765815 730545031 /nfs/dbraw/zinc/54/50/31/730545031.db2.gz GLCGXWFLIXCUSI-SXBQZSJRSA-N 0 0 360.479 2.746 20 10 FFCDRN Cc1oc(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1S(C)(=O)=O ZINC000860949789 730561002 /nfs/dbraw/zinc/56/10/02/730561002.db2.gz DNKAILSTTWCCDB-LLVKDONJSA-N 0 0 350.440 2.549 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCOC(=O)N3)cc2Cl)C1 ZINC000861537831 730622356 /nfs/dbraw/zinc/62/23/56/730622356.db2.gz DIJGIRIBWMTRMQ-SWLSCSKDSA-N 0 0 365.861 2.691 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1 ZINC000862024682 730662279 /nfs/dbraw/zinc/66/22/79/730662279.db2.gz DIXUGBBUUAFCLN-CYBMUJFWSA-N 0 0 360.376 2.800 20 10 FFCDRN C[C@](CO)([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(O)c1 ZINC000862432631 730702241 /nfs/dbraw/zinc/70/22/41/730702241.db2.gz LKPYDCHINDKWEG-MRXNPFEDSA-N 0 0 352.774 2.657 20 10 FFCDRN Cc1ccc(O)c(CN2CCO[C@H](c3ccc(S(C)(=O)=O)cc3)C2)c1 ZINC000862438769 730702505 /nfs/dbraw/zinc/70/25/05/730702505.db2.gz OHQIPYNLBAXAHH-IBGZPJMESA-N 0 0 361.463 2.678 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c1 ZINC000862757184 730723769 /nfs/dbraw/zinc/72/37/69/730723769.db2.gz KMLJYJWBXPXXOH-UHFFFAOYSA-N 0 0 361.463 2.742 20 10 FFCDRN CN(C)c1cc(F)c(C[NH2+][C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1F ZINC000864505789 730853974 /nfs/dbraw/zinc/85/39/74/730853974.db2.gz UBGAWGCAYNMBFZ-INIZCTEOSA-N 0 0 350.365 2.522 20 10 FFCDRN O=C1N(Cc2ccc(N3CCSCC3)cc2)C(=O)C23CCC(CC2)N13 ZINC000865300109 730936940 /nfs/dbraw/zinc/93/69/40/730936940.db2.gz XTBDMCQCEQBYHE-UHFFFAOYSA-N 0 0 357.479 2.699 20 10 FFCDRN COC[C@H](C)Cc1noc(-c2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC000650644870 731017013 /nfs/dbraw/zinc/01/70/13/731017013.db2.gz ZFBFBQQLTSFNFE-GFCCVEGCSA-N 0 0 357.435 2.778 20 10 FFCDRN C[C@H]([NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1)c1ccc(F)cc1[O-] ZINC000866526985 731070895 /nfs/dbraw/zinc/07/08/95/731070895.db2.gz RVGVCLXFJQXTAN-ZDUSSCGKSA-N 0 0 352.450 2.988 20 10 FFCDRN CCS(=O)(CC)=NS(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000866842307 731107299 /nfs/dbraw/zinc/10/72/99/731107299.db2.gz BQGYIFOJVIYDLC-UHFFFAOYSA-N 0 0 374.528 2.889 20 10 FFCDRN COC(=O)c1scc(C)c1S(=O)(=O)N[C@@H](C)c1ccccc1O ZINC000867836090 731232432 /nfs/dbraw/zinc/23/24/32/731232432.db2.gz DSHMPWUAMPOHRB-JTQLQIEISA-N 0 0 355.437 2.588 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCNC3=O)cc2Cl)C1 ZINC000868064973 731255927 /nfs/dbraw/zinc/25/59/27/731255927.db2.gz IKWGEAIXSKNICA-HIFRSBDPSA-N 0 0 363.889 2.719 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H](O)c3c[nH]cn3)cc2Cl)C1 ZINC000868066563 731256021 /nfs/dbraw/zinc/25/60/21/731256021.db2.gz YZXRSGNIEPYEEX-YVEFUNNKSA-N 0 0 362.861 2.649 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1c[nH]nc1[C@@H]1CCCO1 ZINC000868307184 731279827 /nfs/dbraw/zinc/27/98/27/731279827.db2.gz REWJHGMMFJHBQJ-ZDUSSCGKSA-N 0 0 366.215 2.659 20 10 FFCDRN CCS(=O)(=O)c1ccc(CNC(=O)N[C@@H](C)c2ccccc2O)s1 ZINC000868558020 731304980 /nfs/dbraw/zinc/30/49/80/731304980.db2.gz HIQJBUFDHDKENX-NSHDSACASA-N 0 0 368.480 2.808 20 10 FFCDRN CC[C@H](CNC(=O)NCc1cccc(OC)c1O)C(=O)OC(C)(C)C ZINC000925673641 738522182 /nfs/dbraw/zinc/52/21/82/738522182.db2.gz DPDQWMPXURLEJP-GFCCVEGCSA-N 0 0 352.431 2.568 20 10 FFCDRN Cc1cc(Br)cc(CN2CCN(C(=O)C(C)C)CC2)c1O ZINC000775647608 738109031 /nfs/dbraw/zinc/10/90/31/738109031.db2.gz ZCIODZNPNPNBFR-UHFFFAOYSA-N 0 0 355.276 2.763 20 10 FFCDRN [NH3+]C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@H]1C(F)(F)F ZINC000873227505 731893420 /nfs/dbraw/zinc/89/34/20/731893420.db2.gz KTLFRKIQJIEDBY-WPRPVWTQSA-N 0 0 353.728 2.523 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC000874465398 732061641 /nfs/dbraw/zinc/06/16/41/732061641.db2.gz YKMCHCVIVDIWSA-ZDUSSCGKSA-N 0 0 365.480 2.526 20 10 FFCDRN COc1cccc(CNC(=O)NCCSCCC(F)(F)F)c1O ZINC000876175461 732221384 /nfs/dbraw/zinc/22/13/84/732221384.db2.gz GGEYSIXHFQSGRM-UHFFFAOYSA-N 0 0 352.378 2.886 20 10 FFCDRN Nc1ncc(CCC(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC000876730733 732273655 /nfs/dbraw/zinc/27/36/55/732273655.db2.gz MBMMRKQNJDFHSJ-UHFFFAOYSA-N 0 0 362.524 2.528 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](CO)c2ccc(C(F)(F)F)cc2)c(O)c1O ZINC000780997510 738592612 /nfs/dbraw/zinc/59/26/12/738592612.db2.gz FWZCZGRJYNJPHO-CYBMUJFWSA-N 0 0 355.312 2.888 20 10 FFCDRN Cc1nnsc1CNCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000876946079 732301124 /nfs/dbraw/zinc/30/11/24/732301124.db2.gz NJXGYQQNJLKHQA-TXEJJXNPSA-N 0 0 350.463 2.889 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000876976671 732305944 /nfs/dbraw/zinc/30/59/44/732305944.db2.gz OHDOSPAGZBWSRR-SNVBAGLBSA-N 0 0 356.394 2.893 20 10 FFCDRN CN(C(=O)[C@H]1CCCN1c1ncnc2sccc21)c1ccc(N)cc1 ZINC000877078213 732322039 /nfs/dbraw/zinc/32/20/39/732322039.db2.gz IFAGAWHEAYTKAV-OAHLLOKOSA-N 0 0 353.451 2.905 20 10 FFCDRN CSCC[C@H](NC(=O)c1ccccc1)C(=O)N(C)c1ccc(N)cc1 ZINC000877079000 732322154 /nfs/dbraw/zinc/32/21/54/732322154.db2.gz NKGNEADXOMIHJE-KRWDZBQOSA-N 0 0 357.479 2.783 20 10 FFCDRN COc1cc(N(C)CCCS(=O)(=O)C(C)(C)C)cc(OC)c1OC ZINC000878128705 732486614 /nfs/dbraw/zinc/48/66/14/732486614.db2.gz GNNVULOEXFSYOD-UHFFFAOYSA-N 0 0 359.488 2.752 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)NC[C@]12CCC[C@H]1OCC2 ZINC000926416780 738613137 /nfs/dbraw/zinc/61/31/37/738613137.db2.gz FBNYHLYHDVEATD-CZUORRHYSA-N 0 0 369.259 2.913 20 10 FFCDRN COC[C@@H](CNC(=O)N(Cc1ccccc1O)C1CCCCC1)OC ZINC000781394008 738623477 /nfs/dbraw/zinc/62/34/77/738623477.db2.gz KHFBEANWVMVUIN-QGZVFWFLSA-N 0 0 350.459 2.898 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2c(Br)c(C)nn2C)c1 ZINC000879697543 732752830 /nfs/dbraw/zinc/75/28/30/732752830.db2.gz CXFRUUNWNHULTK-UHFFFAOYSA-N 0 0 369.219 2.527 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1nn(C)cc1Br ZINC000879963930 732810100 /nfs/dbraw/zinc/81/01/00/732810100.db2.gz RDKUSVCMRQJFSM-UHFFFAOYSA-N 0 0 366.263 2.879 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccn(C3CCSCC3)n2)c(O)c1 ZINC000880348442 732894823 /nfs/dbraw/zinc/89/48/23/732894823.db2.gz YSROLZDKCQMEBN-UHFFFAOYSA-N 0 0 362.455 2.987 20 10 FFCDRN CN(C)Cc1cc(NC(=O)NCCCSc2nccs2)ccn1 ZINC000880611602 732931954 /nfs/dbraw/zinc/93/19/54/732931954.db2.gz WZSCBGOEDRYCHA-UHFFFAOYSA-N 0 0 351.501 2.904 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2CCOC[C@H]2C)cc1F ZINC000881873438 733125036 /nfs/dbraw/zinc/12/50/36/733125036.db2.gz AGIAZLVYSRMWGU-DYVFJYSZSA-N 0 0 358.479 2.516 20 10 FFCDRN C[C@H]1COCC[C@@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000881920876 733136749 /nfs/dbraw/zinc/13/67/49/733136749.db2.gz RSJFRSWXUAQOKM-KSSFIOAISA-N 0 0 353.484 2.892 20 10 FFCDRN c1nc(SCCn2cnnn2)n(C[C@@H]2CCCO2)c1-c1ccccc1 ZINC000882089643 733169766 /nfs/dbraw/zinc/16/97/66/733169766.db2.gz SKUNWXIZFCBXOR-HNNXBMFYSA-N 0 0 356.455 2.508 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ncc(C)s2)cc1 ZINC000782104791 738689320 /nfs/dbraw/zinc/68/93/20/738689320.db2.gz LIRGXDOIDIVCHX-UHFFFAOYSA-N 0 0 360.483 2.895 20 10 FFCDRN COc1cc(NC(=O)C(=O)NCCCSc2nccs2)ccc1F ZINC000782115655 738690256 /nfs/dbraw/zinc/69/02/56/738690256.db2.gz TWLODEFJHUVJLV-UHFFFAOYSA-N 0 0 369.443 2.528 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C1(CCO)CCOCC1 ZINC000883045763 733325881 /nfs/dbraw/zinc/32/58/81/733325881.db2.gz MECDYAHCUUDNME-UHFFFAOYSA-N 0 0 364.667 2.829 20 10 FFCDRN CC(C)c1nsc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)n1 ZINC000884693942 733550244 /nfs/dbraw/zinc/55/02/44/733550244.db2.gz UOBHUAKYYLRJPJ-UHFFFAOYSA-N 0 0 359.499 2.975 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@@H](C[NH2+]Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])O2)CO1 ZINC000886333741 733775022 /nfs/dbraw/zinc/77/50/22/733775022.db2.gz MQVZDBFDIWBHHZ-HICWGWBUSA-N 0 0 356.806 2.770 20 10 FFCDRN C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)c1c([O-])cccc1F ZINC000886601342 733808030 /nfs/dbraw/zinc/80/80/30/733808030.db2.gz PQOFFCKWIORXJN-LBPRGKRZSA-N 0 0 358.479 2.775 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@@H]1C[C@@H]1CCOC1 ZINC000887818235 733979826 /nfs/dbraw/zinc/97/98/26/733979826.db2.gz BCPSSHQPGFSSHJ-AAEUAGOBSA-N 0 0 363.435 2.580 20 10 FFCDRN CC(=O)N[C@H](CC(=O)NCc1cccc(Cl)c1O)c1cccs1 ZINC000890757746 734336421 /nfs/dbraw/zinc/33/64/21/734336421.db2.gz KITUPUALRUNTCG-CYBMUJFWSA-N 0 0 352.843 2.991 20 10 FFCDRN CSc1nc(C)c(CCC(=O)NCc2cccc(Cl)c2O)c(=O)[nH]1 ZINC000890757713 734336438 /nfs/dbraw/zinc/33/64/38/734336438.db2.gz ITSAMASNKBXORX-UHFFFAOYSA-N 0 0 367.858 2.821 20 10 FFCDRN COCCN(CC(=O)NCc1cccc(Cl)c1O)C(=O)OC(C)(C)C ZINC000890760237 734336783 /nfs/dbraw/zinc/33/67/83/734336783.db2.gz LGWIXKIEBCEDHP-UHFFFAOYSA-N 0 0 372.849 2.545 20 10 FFCDRN CN(C)Cc1csc(C[NH2+]Cc2cccc(Br)c2[O-])n1 ZINC000722379967 734384134 /nfs/dbraw/zinc/38/41/34/734384134.db2.gz FCLGTZJZTKQKDA-UHFFFAOYSA-N 0 0 356.289 2.963 20 10 FFCDRN O=C(CC[NH2+]Cc1cccc(Br)c1[O-])Nc1ccccn1 ZINC000725848739 734396068 /nfs/dbraw/zinc/39/60/68/734396068.db2.gz FYBQLXUWEVIQEV-UHFFFAOYSA-N 0 0 350.216 2.668 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)Cc2cnccc2Cl)[NH+](C)C)cc1 ZINC000891249921 734404505 /nfs/dbraw/zinc/40/45/05/734404505.db2.gz UKJRENFOSXYJDW-SFHVURJKSA-N 0 0 360.889 2.763 20 10 FFCDRN CN(CCCNC(=S)Nc1ccc(C(N)=O)cc1)c1ccccc1F ZINC000726471555 734428531 /nfs/dbraw/zinc/42/85/31/734428531.db2.gz ATZQSIRNIOEQAJ-UHFFFAOYSA-N 0 0 360.458 2.738 20 10 FFCDRN Cc1nc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)c(O)c2O)sc1C ZINC000727005491 734459453 /nfs/dbraw/zinc/45/94/53/734459453.db2.gz RCTODAUPSRDRRH-SECBINFHSA-N 0 0 350.396 2.664 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NCc2ccc(OC)c(OC)c2O)cc1 ZINC000892330745 734544114 /nfs/dbraw/zinc/54/41/14/734544114.db2.gz MGTFTRIRIQIFOY-UHFFFAOYSA-N 0 0 366.439 2.783 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C2CCN(CC(F)(F)F)CC2)c1 ZINC000728978878 734552475 /nfs/dbraw/zinc/55/24/75/734552475.db2.gz VXFFNVIYIVCOTL-NSHDSACASA-N 0 0 360.376 2.852 20 10 FFCDRN COc1cc[nH]c(=NNC(=S)Nc2ccc(Br)cc2)n1 ZINC000783722951 738829025 /nfs/dbraw/zinc/82/90/25/738829025.db2.gz PADXZHNUHIAERE-UHFFFAOYSA-N 0 0 354.233 2.561 20 10 FFCDRN CCS(=O)(=O)c1ccc(NC(=O)NCc2cccc(OC)c2O)cc1 ZINC000729552467 734584693 /nfs/dbraw/zinc/58/46/93/734584693.db2.gz LXLPQEFZZXFBMJ-UHFFFAOYSA-N 0 0 364.423 2.516 20 10 FFCDRN NC(=O)COc1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC000731451255 734679338 /nfs/dbraw/zinc/67/93/38/734679338.db2.gz HXNQMPNVDPKFNY-UHFFFAOYSA-N 0 0 355.221 2.853 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@]12C[C@H]1COC21CCC1 ZINC000893645124 734731591 /nfs/dbraw/zinc/73/15/91/734731591.db2.gz GVHKYBWQQWMPOX-SWLSCSKDSA-N 0 0 353.513 2.884 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCN2CCSCC2)cc1 ZINC000732891640 734773553 /nfs/dbraw/zinc/77/35/53/734773553.db2.gz AGYMJDODFXTDHT-UHFFFAOYSA-N 0 0 364.559 2.723 20 10 FFCDRN Cn1ncc(NCc2ccc(N3CCCC3)cc2)c(Br)c1=O ZINC000732983034 734779912 /nfs/dbraw/zinc/77/99/12/734779912.db2.gz YVVLJLRXLURHNK-UHFFFAOYSA-N 0 0 363.259 2.755 20 10 FFCDRN O=C1CC2(CN1)CC[NH+](Cc1cc(Cl)cc(Br)c1[O-])CC2 ZINC000894032265 734789916 /nfs/dbraw/zinc/78/99/16/734789916.db2.gz GAEASTMSBYHPHQ-UHFFFAOYSA-N 0 0 373.678 2.910 20 10 FFCDRN COc1ccc([N+](=O)[O-])cc1C(=O)NCCCSc1nccs1 ZINC000733880809 734855924 /nfs/dbraw/zinc/85/59/24/734855924.db2.gz OQGZIUYCYUYQDK-UHFFFAOYSA-N 0 0 353.425 2.972 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)c1cnn(-c2ccccc2)c1 ZINC000733971677 734864450 /nfs/dbraw/zinc/86/44/50/734864450.db2.gz AQBQHFZJNNESMG-UHFFFAOYSA-N 0 0 372.475 2.810 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)c1 ZINC000734016795 734867837 /nfs/dbraw/zinc/86/78/37/734867837.db2.gz HFSYBEXEDBRRNG-HNNXBMFYSA-N 0 0 352.431 2.566 20 10 FFCDRN C[C@H]1CCCC[C@@H]1CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000734017143 734867917 /nfs/dbraw/zinc/86/79/17/734867917.db2.gz CEYFFHUOZVMHLB-QWHCGFSZSA-N 0 0 354.472 2.710 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)c3ccoc3Cl)cc2)CC1 ZINC000894591370 734883867 /nfs/dbraw/zinc/88/38/67/734883867.db2.gz CSTHSTJIEMDHQL-UHFFFAOYSA-N 0 0 361.829 2.565 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1CCN(CC(F)F)CC1 ZINC000734525265 734902055 /nfs/dbraw/zinc/90/20/55/734902055.db2.gz YDFABHHJFZROMO-UHFFFAOYSA-N 0 0 354.445 2.590 20 10 FFCDRN COc1cc(Cl)cc(CN2CCc3nc[nH]c3C23CCOCC3)c1O ZINC000895071008 734959412 /nfs/dbraw/zinc/95/94/12/734959412.db2.gz IWHQTYBZQQHSAZ-UHFFFAOYSA-N 0 0 363.845 2.841 20 10 FFCDRN CS(C)(=O)=NC(=O)[C@@H]1CCCN1Cc1ccc(N2CCCCC2)cc1 ZINC000895201103 734973886 /nfs/dbraw/zinc/97/38/86/734973886.db2.gz CIHMTJGXOZBSAU-SFHVURJKSA-N 0 0 363.527 2.896 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N1CCC=C(Cl)C1 ZINC000895292383 734988010 /nfs/dbraw/zinc/98/80/10/734988010.db2.gz UIRUXMFUGRUOIF-UHFFFAOYSA-N 0 0 371.815 2.839 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000895445662 735007232 /nfs/dbraw/zinc/00/72/32/735007232.db2.gz VQDQNHRLSJRNQT-WCBMZHEXSA-N 0 0 372.156 2.896 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1n[nH]cc1Br ZINC000739019357 735045865 /nfs/dbraw/zinc/04/58/65/735045865.db2.gz CFRAMHNZLPNZHN-UHFFFAOYSA-N 0 0 367.247 3.000 20 10 FFCDRN COc1ccc(CN2CCn3cnc(C(F)(F)F)c3C2)c(O)c1OC ZINC000896003450 735087181 /nfs/dbraw/zinc/08/71/81/735087181.db2.gz WMJIBQKSPSWEEQ-UHFFFAOYSA-N 0 0 357.332 2.641 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H](CCO)c2cccs2)cc1F ZINC000741081899 735116856 /nfs/dbraw/zinc/11/68/56/735116856.db2.gz AIOUWGOOYCCQHW-AWEZNQCLSA-N 0 0 351.447 2.876 20 10 FFCDRN C[C@]1([C@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)COC(=O)N1 ZINC000896394028 735152294 /nfs/dbraw/zinc/15/22/94/735152294.db2.gz CWBBZAOSDVJSPL-BLLLJJGKSA-N 0 0 369.259 2.865 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000896428388 735158743 /nfs/dbraw/zinc/15/87/43/735158743.db2.gz LGYAUCWGJXXXFQ-AWEZNQCLSA-N 0 0 368.861 2.821 20 10 FFCDRN O=c1[nH]c2cccc(N3CC[NH+](Cc4cccc(Cl)c4[O-])CC3)c2[nH]1 ZINC000896749884 735182326 /nfs/dbraw/zinc/18/23/26/735182326.db2.gz ZXDKAOWMYMFAPJ-UHFFFAOYSA-N 0 0 358.829 2.950 20 10 FFCDRN O=C1OCCCN1C1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000897592655 735252584 /nfs/dbraw/zinc/25/25/84/735252584.db2.gz ZBMZXFVIPHXIEP-UHFFFAOYSA-N 0 0 369.805 2.761 20 10 FFCDRN CSc1cccc(N2C[C@@H](C(=O)NCc3ccccc3O)CC2=O)c1 ZINC000748355190 735637780 /nfs/dbraw/zinc/63/77/80/735637780.db2.gz VHWDCCCZYCQDGP-AWEZNQCLSA-N 0 0 356.447 2.783 20 10 FFCDRN O=C(N[C@@H]1CCCSC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000748966165 735685732 /nfs/dbraw/zinc/68/57/32/735685732.db2.gz MTYBZJJMUCMVHQ-CVEARBPZSA-N 0 0 350.484 2.978 20 10 FFCDRN O=C(CC(F)(F)C(F)F)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000900756945 735689244 /nfs/dbraw/zinc/68/92/44/735689244.db2.gz XIRWJBFQVRSYLZ-UHFFFAOYSA-N 0 0 362.367 2.802 20 10 FFCDRN CC[C@H](O)[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000900867827 735709835 /nfs/dbraw/zinc/70/98/35/735709835.db2.gz OSRXZSMKZCAVDN-WWGRRREGSA-N 0 0 356.413 2.780 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)c1 ZINC000787422131 739135860 /nfs/dbraw/zinc/13/58/60/739135860.db2.gz AIACUODFUOXTHP-ZKYQVNSYSA-N 0 0 353.260 2.549 20 10 FFCDRN C[S@@](=O)c1ccc(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000751154653 735849836 /nfs/dbraw/zinc/84/98/36/735849836.db2.gz ZOXPONGZVCPQJY-HSZRJFAPSA-N 0 0 354.815 2.981 20 10 FFCDRN Cn1cc(CCCOC(=O)c2csc(Cc3ccc(N)cc3)n2)cn1 ZINC000751930786 735936712 /nfs/dbraw/zinc/93/67/12/735936712.db2.gz JHXZGYKAZZTSOZ-UHFFFAOYSA-N 0 0 356.451 2.839 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc3ccsc32)c1 ZINC000752395159 735982799 /nfs/dbraw/zinc/98/27/99/735982799.db2.gz WDNDPSLRKPPTCA-UHFFFAOYSA-N 0 0 356.403 2.870 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCc2csc([C@@H](C)OC)n2)c1 ZINC000752967065 736027006 /nfs/dbraw/zinc/02/70/06/736027006.db2.gz SAEQOQNRXNVPTD-SNVBAGLBSA-N 0 0 351.428 2.564 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1cnc(-c2ccncc2)s1 ZINC000753142493 736040689 /nfs/dbraw/zinc/04/06/89/736040689.db2.gz QUAOYRPNZBMVMT-LCYFTJDESA-N 0 0 358.448 2.508 20 10 FFCDRN C[C@H]([NH2+]CC[C@H]1CC(=O)N(C)C1)c1cc(Br)c(F)cc1[O-] ZINC000903212636 736056425 /nfs/dbraw/zinc/05/64/25/736056425.db2.gz IQQTUQBSVOQAHO-UWVGGRQHSA-N 0 0 359.239 2.813 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1ccc(C(N)=O)nc1 ZINC000753657347 736084419 /nfs/dbraw/zinc/08/44/19/736084419.db2.gz IOYUZKXTJGONOH-UHFFFAOYSA-N 0 0 354.435 2.580 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1c([O-])cccc1F ZINC000903423975 736091075 /nfs/dbraw/zinc/09/10/75/736091075.db2.gz JUXMCVMWSIOLDZ-GFCCVEGCSA-N 0 0 352.431 2.778 20 10 FFCDRN CCn1cc([C@@H]2C[S@](=O)CCN2Cc2cc(Cl)ccc2O)cn1 ZINC000754153869 736131426 /nfs/dbraw/zinc/13/14/26/736131426.db2.gz JWIWUPYFVMGHGB-NPMXOYFQSA-N 0 0 353.875 2.568 20 10 FFCDRN CCOC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCCOC1 ZINC000754259126 736141048 /nfs/dbraw/zinc/14/10/48/736141048.db2.gz GSKIYSBKKQNYKZ-MLGOLLRUSA-N 0 0 369.845 2.696 20 10 FFCDRN CC(C)(C)[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(=O)[O-] ZINC000756312944 736322233 /nfs/dbraw/zinc/32/22/33/736322233.db2.gz SMHYGYQJFZPPIP-HNNXBMFYSA-N 0 0 352.450 2.889 20 10 FFCDRN C[C@@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)c(F)cc1[O-] ZINC000756389994 736327372 /nfs/dbraw/zinc/32/73/72/736327372.db2.gz FTAUZWFFMPAHOC-MRVPVSSYSA-N 0 0 355.211 2.682 20 10 FFCDRN CC(C)COC[C@H](O)C[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756460761 736333308 /nfs/dbraw/zinc/33/33/08/736333308.db2.gz SVAYXWFNAHQMCS-WDEREUQCSA-N 0 0 364.255 2.978 20 10 FFCDRN C[C@H]([NH2+]CCN1CCO[C@@H](C)C1)c1cc(Br)c(F)cc1[O-] ZINC000756542477 736340792 /nfs/dbraw/zinc/34/07/92/736340792.db2.gz ANOQJIMKGGQVME-QWRGUYRKSA-N 0 0 361.255 2.665 20 10 FFCDRN CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000756654614 736349929 /nfs/dbraw/zinc/34/99/29/736349929.db2.gz LJZYLQHSYBRHFC-NXEZZACHSA-N 0 0 359.239 2.955 20 10 FFCDRN C[C@H](Nc1cnn(CC(=O)N(C)C)c1)c1cc(Br)ccc1O ZINC000757640524 736414943 /nfs/dbraw/zinc/41/49/43/736414943.db2.gz XMZGHUCBYNLPNV-JTQLQIEISA-N 0 0 367.247 2.613 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1F ZINC000757852364 736430972 /nfs/dbraw/zinc/43/09/72/736430972.db2.gz LMSHMVSEVLLMGZ-PBHICJAKSA-N 0 0 352.450 2.982 20 10 FFCDRN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000758168935 736457985 /nfs/dbraw/zinc/45/79/85/736457985.db2.gz HPXBNMONSKJHIT-UHFFFAOYSA-N 0 0 353.371 2.736 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)C2CCC(=O)CC2)cc1F ZINC000906931506 736561477 /nfs/dbraw/zinc/56/14/77/736561477.db2.gz 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736802745 /nfs/dbraw/zinc/80/27/45/736802745.db2.gz TXQACZZDNQQTFP-UHFFFAOYSA-N 0 0 357.439 2.762 20 10 FFCDRN O=C1/C(=C/c2cccc3c2OCCO3)SC(=S)N1Cc1ccon1 ZINC000764417949 737016370 /nfs/dbraw/zinc/01/63/70/737016370.db2.gz QTYBLYAIRHWCNJ-JYRVWZFOSA-N 0 0 360.416 2.847 20 10 FFCDRN CC[C@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1CCCO1 ZINC000764798213 737050448 /nfs/dbraw/zinc/05/04/48/737050448.db2.gz BKLAVMIRSSQLPR-QWHCGFSZSA-N 0 0 357.248 2.912 20 10 FFCDRN Cc1cc(C(=O)COC(=O)CO)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000765399482 737114855 /nfs/dbraw/zinc/11/48/55/737114855.db2.gz DVCKIIYDBKUPOT-UHFFFAOYSA-N 0 0 355.312 2.831 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1c[nH]nc1-c1ccncc1 ZINC000765728564 737149511 /nfs/dbraw/zinc/14/95/11/737149511.db2.gz VVNIULIGDKCOKH-UHFFFAOYSA-N 0 0 373.210 2.870 20 10 FFCDRN C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1cccc(Br)c1O ZINC000765751594 737153768 /nfs/dbraw/zinc/15/37/68/737153768.db2.gz HFCKMIAJQJSPLZ-WCQYABFASA-N 0 0 372.259 2.745 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1ccc(-c2nc[nH]n2)cc1 ZINC000765754915 737154327 /nfs/dbraw/zinc/15/43/27/737154327.db2.gz YDGXKAAXBMZDOS-UHFFFAOYSA-N 0 0 373.210 2.870 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1ccnn1CC(F)F ZINC000804738548 740901908 /nfs/dbraw/zinc/90/19/08/740901908.db2.gz UMIMBTOCRNTJFS-UHFFFAOYSA-N 0 0 360.158 2.546 20 10 FFCDRN Cc1cnc(N)c(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)c1 ZINC000766820747 737265717 /nfs/dbraw/zinc/26/57/17/737265717.db2.gz WUICCNDQHHIZIU-UHFFFAOYSA-N 0 0 361.467 2.811 20 10 FFCDRN COC[C@](C)(CO)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000768454289 737423574 /nfs/dbraw/zinc/42/35/74/737423574.db2.gz PBEZTWOAMRYWGT-IBGZPJMESA-N 0 0 364.873 2.804 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2occc2Br)cc1 ZINC000913861096 737459758 /nfs/dbraw/zinc/45/97/58/737459758.db2.gz WTJQHDIXISTOEX-UHFFFAOYSA-N 0 0 373.272 2.929 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2cc(F)ccc2OC(C)C)c1O ZINC000914153088 737516512 /nfs/dbraw/zinc/51/65/12/737516512.db2.gz RERGWPHNMOHLCE-UHFFFAOYSA-N 0 0 369.414 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COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C)c(C)cc1F ZINC000793396285 739777205 /nfs/dbraw/zinc/77/72/05/739777205.db2.gz XUEZBAOUYGQMNH-UHFFFAOYSA-N 0 0 353.371 2.736 20 10 FFCDRN CN1CCN(Cc2cc(Cl)ccc2O)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000793604945 739798836 /nfs/dbraw/zinc/79/88/36/739798836.db2.gz SVHXSUZWCRHKQI-HNNXBMFYSA-N 0 0 369.893 2.686 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cc(Br)ccn2)c(O)c1 ZINC000794337753 739879355 /nfs/dbraw/zinc/87/93/55/739879355.db2.gz VVQCJYFJTFJHBE-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)nc1Br ZINC000794361561 739883058 /nfs/dbraw/zinc/88/30/58/739883058.db2.gz WEEBHWBBKDMEJT-UHFFFAOYSA-N 0 0 366.215 2.928 20 10 FFCDRN COc1ccc(CNC(=O)c2ncccc2OCC(F)(F)F)c(O)c1 ZINC000794388431 739885759 /nfs/dbraw/zinc/88/57/59/739885759.db2.gz UATYYQBZWQUJBZ-UHFFFAOYSA-N 0 0 356.300 2.667 20 10 FFCDRN C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCCOC2)O1 ZINC000796031935 740093724 /nfs/dbraw/zinc/09/37/24/740093724.db2.gz 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FFCDRN CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000835066856 745943293 /nfs/dbraw/zinc/94/32/93/745943293.db2.gz CYLRKNSXUWSIOD-NSHDSACASA-N 0 0 374.840 2.910 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](C)CS2(=O)=O)c(C)n1-c1ccc(F)cc1 ZINC000835570907 746040086 /nfs/dbraw/zinc/04/00/86/746040086.db2.gz UXWJGXNOABWZDK-NSHDSACASA-N 0 0 350.415 2.655 20 10 FFCDRN CO[C@H]([C@@H](C)NC(=O)NCc1cc(Br)ccc1O)C1CC1 ZINC000836640257 746274197 /nfs/dbraw/zinc/27/41/97/746274197.db2.gz GEMJOGCGHNLXCL-YMTOWFKASA-N 0 0 357.248 2.767 20 10 FFCDRN Cc1cc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)c(C)o1 ZINC000837705123 746503100 /nfs/dbraw/zinc/50/31/00/746503100.db2.gz QOFPVFOAQAHYGF-UHFFFAOYSA-N 0 0 350.365 2.941 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)cc1 ZINC000837707773 746503179 /nfs/dbraw/zinc/50/31/79/746503179.db2.gz ZORXUAYKZXWSBY-UHFFFAOYSA-N 0 0 350.340 2.871 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cncc(Cl)c1 ZINC000837715135 746505259 /nfs/dbraw/zinc/50/52/59/746505259.db2.gz 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ZINC000840913713 747222688 /nfs/dbraw/zinc/22/26/88/747222688.db2.gz IKJZMVGBQNHYEC-WMLDXEAASA-N 0 0 361.419 2.867 20 10 FFCDRN COc1ccc(NCc2ccc(N(C)C)c(F)c2)cc1S(C)(=O)=O ZINC000840972132 747247159 /nfs/dbraw/zinc/24/71/59/747247159.db2.gz QANMOCBHKMCWLV-UHFFFAOYSA-N 0 0 352.431 2.916 20 10 FFCDRN Nc1ccc(NC(=O)NCCCCn2cc(Br)cn2)cc1 ZINC000841297003 747314436 /nfs/dbraw/zinc/31/44/36/747314436.db2.gz KIHOYJPFONWQQQ-UHFFFAOYSA-N 0 0 352.236 2.830 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000841381301 747330361 /nfs/dbraw/zinc/33/03/61/747330361.db2.gz DGKXITVJAGLXTD-CABCVRRESA-N 0 0 354.516 2.559 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)C1SCCCS1 ZINC000841394909 747335426 /nfs/dbraw/zinc/33/54/26/747335426.db2.gz RADHHQDPOCKMRF-UHFFFAOYSA-N 0 0 366.552 2.708 20 10 FFCDRN C[C@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)[C@H](C)S(C)(=O)=O ZINC000841402712 747338849 /nfs/dbraw/zinc/33/88/49/747338849.db2.gz GMNJVEULLGMBJE-KBPBESRZSA-N 0 0 365.451 2.583 20 10 FFCDRN O=S(=O)(CCOCC1CCCC1)NCCCSc1nccs1 ZINC000841487477 747366352 /nfs/dbraw/zinc/36/63/52/747366352.db2.gz UKQCKYPPUMCAMO-UHFFFAOYSA-N 0 0 364.558 2.752 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCNC[C@@](C)(F)C2)cc1F ZINC000841798138 747463042 /nfs/dbraw/zinc/46/30/42/747463042.db2.gz FGAKTZRQLXSQKV-GOSISDBHSA-N 0 0 354.445 2.515 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1cccc(Cl)c1 ZINC000842158720 747536374 /nfs/dbraw/zinc/53/63/74/747536374.db2.gz ZKXNYPKPVYZYAO-QGZVFWFLSA-N 0 0 359.857 2.848 20 10 FFCDRN CCc1noc(C)c1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842250078 747556319 /nfs/dbraw/zinc/55/63/19/747556319.db2.gz SNJJCXLFCMHEBB-UHFFFAOYSA-N 0 0 363.801 2.869 20 10 FFCDRN CO[C@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C12CCC2 ZINC000842260840 747559649 /nfs/dbraw/zinc/55/96/49/747559649.db2.gz KUINZAUKFJXGNH-CABCVRRESA-N 0 0 364.829 2.767 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)CN(C)[C@@H]3CCSC3)C2)cc1 ZINC000842874226 747711534 /nfs/dbraw/zinc/71/15/34/747711534.db2.gz ATPNRHKRUBNRLT-NVXWUHKLSA-N 0 0 364.511 2.502 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1cc(F)cc(F)c1[O-] ZINC000842884370 747713828 /nfs/dbraw/zinc/71/38/28/747713828.db2.gz QHJSNCBZRHHLAW-JQWIXIFHSA-N 0 0 369.389 2.556 20 10 FFCDRN [NH3+]C[C@H]1CCCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000843054632 747757811 /nfs/dbraw/zinc/75/78/11/747757811.db2.gz YCPOKDCYAFBLKQ-SNVBAGLBSA-N 0 0 364.081 2.840 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cc4cc[nH]c(=O)c4s3)ccc21 ZINC000843779197 747892702 /nfs/dbraw/zinc/89/27/02/747892702.db2.gz QTZWOUHWAQVPNE-UHFFFAOYSA-N 0 0 353.447 2.902 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@@H]2C2CCC2)c1 ZINC000844124761 747973824 /nfs/dbraw/zinc/97/38/24/747973824.db2.gz WBSCZVVRESYRJO-OAHLLOKOSA-N 0 0 352.456 2.559 20 10 FFCDRN Nc1ccc(CCNC(=O)CN[C@@H](c2ccccc2)C(F)(F)F)cc1 ZINC000844164354 747982496 /nfs/dbraw/zinc/98/24/96/747982496.db2.gz ASBONSUHPFVGGB-KRWDZBQOSA-N 0 0 351.372 2.821 20 10 FFCDRN C[C@@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)Cn1ccnc1 ZINC000844175533 747983358 /nfs/dbraw/zinc/98/33/58/747983358.db2.gz JCOQDOACVLRLAV-ZDUSSCGKSA-N 0 0 355.467 2.579 20 10 FFCDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NCc1cc(Cl)ccc1O ZINC000844649321 748064735 /nfs/dbraw/zinc/06/47/35/748064735.db2.gz JEDAJHDUVZDGNL-LLVKDONJSA-N 0 0 364.833 2.995 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2ncc(Br)cn2)cc1 ZINC000845672798 748302764 /nfs/dbraw/zinc/30/27/64/748302764.db2.gz NZOVYZONVAMHRP-UHFFFAOYSA-N 0 0 351.248 2.820 20 10 FFCDRN COc1ccc(N[C@H](C)c2cccc(OC)c2O)cc1NS(C)(=O)=O ZINC000846158885 748417316 /nfs/dbraw/zinc/41/73/16/748417316.db2.gz GHUABOVQQWYJJX-LLVKDONJSA-N 0 0 366.439 2.954 20 10 FFCDRN Cc1cc(CC(=O)N[C@H]2C[C@@H](C(N)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000846439980 748479414 /nfs/dbraw/zinc/47/94/14/748479414.db2.gz JVNWJSHTBSKFPJ-FZNQNYSPSA-N 0 0 359.857 2.670 20 10 FFCDRN CCOC(=O)C(C)(C)CC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000846442771 748480062 /nfs/dbraw/zinc/48/00/62/748480062.db2.gz WXCTZBQZZSUNBM-UHFFFAOYSA-N 0 0 350.459 2.569 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c1O ZINC000847251208 748661526 /nfs/dbraw/zinc/66/15/26/748661526.db2.gz SSKUFKLMGHIWPN-YPMHNXCESA-N 0 0 362.348 2.700 20 10 FFCDRN C[C@@H](CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1)NC(N)=O ZINC000848035734 748832027 /nfs/dbraw/zinc/83/20/27/748832027.db2.gz BVQRVPJMTZCKCB-OLZOCXBDSA-N 0 0 366.893 2.639 20 10 FFCDRN COc1cc(Br)cc([C@H](C)Nc2cnn(CCO)c2)c1O ZINC000848540339 748954217 /nfs/dbraw/zinc/95/42/17/748954217.db2.gz SKOPBYCIMVZWST-VIFPVBQESA-N 0 0 356.220 2.525 20 10 FFCDRN COc1cc(Br)cc([C@@H](C)N[C@@H](C)c2ncn(C)n2)c1O ZINC000848546572 748956500 /nfs/dbraw/zinc/95/65/00/748956500.db2.gz BPEBVJAPKOBHLE-BDAKNGLRSA-N 0 0 355.236 2.704 20 10 FFCDRN CCc1cccc(CNc2cc(NS(C)(=O)=O)ccc2OC)c1O ZINC000848913679 749033714 /nfs/dbraw/zinc/03/37/14/749033714.db2.gz BLNNQBABSHZIMN-UHFFFAOYSA-N 0 0 350.440 2.947 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=S)NCC3CC3)cc2F)C[C@@H](C)O1 ZINC000849255648 749078610 /nfs/dbraw/zinc/07/86/10/749078610.db2.gz XIPOQJRIRZPDEQ-CHWSQXEVSA-N 0 0 351.491 2.813 20 10 FFCDRN CCc1ccccc1S(=O)(=O)N[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849416506 749143456 /nfs/dbraw/zinc/14/34/56/749143456.db2.gz RKPLKYWELHYTOT-MRXNPFEDSA-N 0 0 360.479 2.815 20 10 FFCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1coc(S(N)(=O)=O)c1 ZINC000852187664 749798050 /nfs/dbraw/zinc/79/80/50/749798050.db2.gz QIHUYAVZKSJQNN-OAHLLOKOSA-N 0 0 364.467 2.771 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)CC3=CCSC3)C2)cc1 ZINC000852386517 749850821 /nfs/dbraw/zinc/85/08/21/749850821.db2.gz GQODVIWUEYLXRG-OAHLLOKOSA-N 0 0 361.511 2.836 20 10 FFCDRN CC(C)(C)n1cc(Br)c(C(=O)NCCc2ccc(N)cc2)n1 ZINC000852796818 749957512 /nfs/dbraw/zinc/95/75/12/749957512.db2.gz YGXPTQKJHJSHBQ-UHFFFAOYSA-N 0 0 365.275 2.955 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)C(=O)c3ccc(Cl)cc3)C2)cc1 ZINC000853818691 750172698 /nfs/dbraw/zinc/17/26/98/750172698.db2.gz ZLRZBOIURZSNDB-OAHLLOKOSA-N 0 0 358.825 2.926 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)NC/C=C/CO)cc2Cl)C1 ZINC000854039250 750229907 /nfs/dbraw/zinc/22/99/07/750229907.db2.gz KVBCILZSZFLRKT-HSWBROFVSA-N 0 0 351.878 2.924 20 10 FFCDRN C[C@@H](Sc1nccs1)C(=O)N(C)C[C@H]1COc2ccccc2O1 ZINC000052914514 845265172 /nfs/dbraw/zinc/26/51/72/845265172.db2.gz UTCLFNCKXKAJIH-NEPJUHHUSA-N 0 0 350.465 2.922 20 10 FFCDRN Cc1csc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000068479435 845522479 /nfs/dbraw/zinc/52/24/79/845522479.db2.gz OXYFSESULDFMTD-AWEZNQCLSA-N 0 0 360.483 2.849 20 10 FFCDRN CN(c1ccc(CNC(=O)[C@H]2CCS(=O)(=O)C2)cc1)C1CCCCC1 ZINC000072043675 845554748 /nfs/dbraw/zinc/55/47/48/845554748.db2.gz PPCGADBJJLXYCP-INIZCTEOSA-N 0 0 364.511 2.506 20 10 FFCDRN Cc1ccc(S(C)(=O)=O)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000392269277 845851851 /nfs/dbraw/zinc/85/18/51/845851851.db2.gz RUHKNUCVSLNKSG-UHFFFAOYSA-N 0 0 360.479 2.847 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(c2ccc(Cl)cn2)CC1 ZINC000588404711 845957492 /nfs/dbraw/zinc/95/74/92/845957492.db2.gz LRXBDJZAHOEOJI-KXFIGUGUSA-N 0 0 359.813 2.508 20 10 FFCDRN CCCNC(=O)c1cccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000180937459 970872160 /nfs/dbraw/zinc/87/21/60/970872160.db2.gz STBQRXWEEXCMBG-VQHVLOKHSA-N 0 0 354.406 2.567 20 10 FFCDRN C[C@H](NC(=O)CCNS(=O)(=O)/C=C\c1ccccc1)c1ccccc1O ZINC001151892113 1032058271 /nfs/dbraw/zinc/05/82/71/1032058271.db2.gz JSFNNGADKGNSED-ZSMUJPCHSA-N 0 0 374.462 2.550 20 10 FFCDRN Cc1ccc([C@H](CNC(=O)c2ccc(C)c(O)c2O)N2CCOCC2)cc1 ZINC000182148789 971000516 /nfs/dbraw/zinc/00/05/16/971000516.db2.gz FRLCMUAEOYSEEM-SFHVURJKSA-N 0 0 370.449 2.518 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCCCC3=O)cc2)c(O)c1O ZINC000182183820 971005257 /nfs/dbraw/zinc/00/52/57/971005257.db2.gz WRSGZYZZHWAHHW-UHFFFAOYSA-N 0 0 354.406 2.853 20 10 FFCDRN COc1cc(N(C)Cc2ccccc2-c2nn[nH]n2)cc(OC)c1OC ZINC000737054844 944939998 /nfs/dbraw/zinc/93/99/98/944939998.db2.gz XUJSIOOHBYLQEH-UHFFFAOYSA-N 0 0 355.398 2.529 20 10 FFCDRN COc1ccc(F)cc1CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000185525020 971293634 /nfs/dbraw/zinc/29/36/34/971293634.db2.gz HXHOCCZQEMTJTH-UHFFFAOYSA-N 0 0 372.440 2.872 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@]3(C2)CC(=O)c2ccccc2O3)c(O)c1O ZINC000840517422 971443812 /nfs/dbraw/zinc/44/38/12/971443812.db2.gz FXTPATHSOLVVCD-HXUWFJFHSA-N 0 0 353.374 2.656 20 10 FFCDRN CC[C@H]1CN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@@H]1O ZINC000888590042 1013104998 /nfs/dbraw/zinc/10/49/98/1013104998.db2.gz QZUKSHIOZQOYJV-ZFWWWQNUSA-N 0 0 351.410 2.631 20 10 FFCDRN Cc1cc(C(=O)CN(C)CC2(O)CCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000759878358 971870288 /nfs/dbraw/zinc/87/02/88/971870288.db2.gz XJHZHRNLJXNPFP-UHFFFAOYSA-N 0 0 370.449 2.852 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccccc2C(=O)[O-])[NH+](C)C)cc1 ZINC001593708831 954167293 /nfs/dbraw/zinc/16/72/93/954167293.db2.gz FQUBDSHVFFEMJB-GOSISDBHSA-N 0 0 370.453 2.875 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1ccnn1CC1CC1 ZINC000160167846 958816888 /nfs/dbraw/zinc/81/68/88/958816888.db2.gz QREAMSPSEUCMMX-UHFFFAOYSA-N 0 0 369.469 2.794 20 10 FFCDRN CN(CC(=O)NC(C)(C)C)Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000728194979 959388292 /nfs/dbraw/zinc/38/82/92/959388292.db2.gz OULNCDYOZOIKCB-UHFFFAOYSA-N 0 0 370.449 2.675 20 10 FFCDRN COC(=O)CCCc1nc(CN(Cc2ccc(N(C)C)cc2)C2CC2)no1 ZINC001167108317 960138378 /nfs/dbraw/zinc/13/83/78/960138378.db2.gz OXPSADNJRVPCQJ-UHFFFAOYSA-N 0 0 372.469 2.796 20 10 FFCDRN O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCO2 ZINC000049740499 960326426 /nfs/dbraw/zinc/32/64/26/960326426.db2.gz OARWUFPDELSIHE-UHFFFAOYSA-N 0 0 374.462 2.884 20 10 FFCDRN Nc1ccc(N(c2ccc(N)cc2)c2cnc(N3CCOCC3)nc2)cc1 ZINC001174452771 1013230147 /nfs/dbraw/zinc/23/01/47/1013230147.db2.gz MCAZDDZZZUHKKF-UHFFFAOYSA-N 0 0 362.437 2.947 20 10 FFCDRN C[C@H](NC(=O)NCCNC(=O)c1ccccc1F)c1ccc(N(C)C)cc1 ZINC000773396084 1013277248 /nfs/dbraw/zinc/27/72/48/1013277248.db2.gz GAYQBLOFUYPHRF-AWEZNQCLSA-N 0 0 372.444 2.682 20 10 FFCDRN CCOC1CC2(C[C@H]2NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000873062492 1013369296 /nfs/dbraw/zinc/36/92/96/1013369296.db2.gz 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/nfs/dbraw/zinc/18/54/67/1000185467.db2.gz RELWBOSVQOHZGE-CYBMUJFWSA-N 0 0 372.444 2.774 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(S(C)(=O)=O)cc1 ZINC000768208460 1000191842 /nfs/dbraw/zinc/19/18/42/1000191842.db2.gz QOWFXSFQTSGWKW-UHFFFAOYSA-N 0 0 374.506 2.559 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C(=O)Nc2ccc(C)cc2F)cc1 ZINC000846097991 1000207275 /nfs/dbraw/zinc/20/72/75/1000207275.db2.gz AYJXYEKRAVQEHW-UHFFFAOYSA-N 0 0 373.428 2.676 20 10 FFCDRN COc1ccc(C2CCN(C(=O)NCCc3ccc(N)cc3)CC2)nc1 ZINC000846172455 1000215816 /nfs/dbraw/zinc/21/58/16/1000215816.db2.gz MIGZLCKYXVHHFT-UHFFFAOYSA-N 0 0 354.454 2.804 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000846173477 1000216756 /nfs/dbraw/zinc/21/67/56/1000216756.db2.gz SGMFBHSXNBKYPU-UHFFFAOYSA-N 0 0 356.470 2.598 20 10 FFCDRN CC[N@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)[C@H](C)c1ccc(F)cc1 ZINC000846242278 1000242050 /nfs/dbraw/zinc/24/20/50/1000242050.db2.gz QXKZBBNSTGELCU-LLVKDONJSA-N 0 0 358.373 2.855 20 10 FFCDRN C[C@H]1C[C@H](c2cccc(F)c2)[N@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846250331 1000244345 /nfs/dbraw/zinc/24/43/45/1000244345.db2.gz YVSAUXZVSCPGMK-MEDUHNTESA-N 0 0 370.384 2.855 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2nnc(CCc3ccco3)n2C)cc1 ZINC000846294586 1000259341 /nfs/dbraw/zinc/25/93/41/1000259341.db2.gz SUECQOZVKWXBPX-UHFFFAOYSA-N 0 0 369.469 2.775 20 10 FFCDRN COCCn1c(C(C)C)nnc1N(C)CCN(C)c1ccc(OC)cc1 ZINC000846310134 1000264391 /nfs/dbraw/zinc/26/43/91/1000264391.db2.gz LZCDMNPHGSSMGC-UHFFFAOYSA-N 0 0 361.490 2.629 20 10 FFCDRN COc1cc2c(cc1NC(=O)/C=C/c1ccc(O)c(O)c1)NC(=O)CC2 ZINC000768575601 1000303633 /nfs/dbraw/zinc/30/36/33/1000303633.db2.gz XYNVHSYDCGNUAS-ZZXKWVIFSA-N 0 0 354.362 2.643 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C[C@H](C)O1 ZINC000846487619 1000331341 /nfs/dbraw/zinc/33/13/41/1000331341.db2.gz SFGMZUKKXZBWDL-UGSOOPFHSA-N 0 0 374.412 2.636 20 10 FFCDRN O=C(CN1C(=O)CSC1=S)Nc1cc(-c2cccc(F)c2)ccn1 ZINC001144840887 1000331848 /nfs/dbraw/zinc/33/18/48/1000331848.db2.gz HZKOBJBIASUXTI-UHFFFAOYSA-N 0 0 361.423 2.687 20 10 FFCDRN O=C(CN1C(=O)CSC1=S)N[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1ccccc1 ZINC001144853208 1000339288 /nfs/dbraw/zinc/33/92/88/1000339288.db2.gz ROKGBDLEJGFPNK-UWWPHRKUSA-N 0 0 360.504 2.545 20 10 FFCDRN COCCc1cc(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n(C)n1 ZINC000768996355 1000413721 /nfs/dbraw/zinc/41/37/21/1000413721.db2.gz USFUZXAPSHIJNN-UHFFFAOYSA-N 0 0 371.485 2.872 20 10 FFCDRN Cc1cc(C(=O)COC(=O)C2(C(N)=O)CCC2)c(C)n1-c1cccc(F)c1 ZINC000769097881 1000423690 /nfs/dbraw/zinc/42/36/90/1000423690.db2.gz DULSXPZUVNZKPJ-UHFFFAOYSA-N 0 0 372.396 2.615 20 10 FFCDRN C[C@@H](CC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000769065333 1000426548 /nfs/dbraw/zinc/42/65/48/1000426548.db2.gz JPHHBWVZDBSGKB-INIZCTEOSA-N 0 0 369.465 2.843 20 10 FFCDRN O=C1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)[C@H]2CCCC[C@H]2N1 ZINC000769193315 1000449149 /nfs/dbraw/zinc/44/91/49/1000449149.db2.gz XGIXATBAKJROQR-SJORKVTESA-N 0 0 372.469 2.828 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc3[nH]c(=O)n(C(C)C)c3c2)c(O)c1 ZINC000846949692 1000494541 /nfs/dbraw/zinc/49/45/41/1000494541.db2.gz JHEHXTQKFMMZOK-UHFFFAOYSA-N 0 0 355.394 2.967 20 10 FFCDRN CCOc1ccc(CN2CCN(Cc3cccc(F)c3)C(=O)C2)c(O)c1 ZINC000769483166 1000521036 /nfs/dbraw/zinc/52/10/36/1000521036.db2.gz NBXFQKTVYSCURV-UHFFFAOYSA-N 0 0 358.413 2.774 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C2(NC(=O)OC(C)(C)C)CCCC2)c1 ZINC000769540943 1000532909 /nfs/dbraw/zinc/53/29/09/1000532909.db2.gz WPMPGQBQQTZLSP-UHFFFAOYSA-N 0 0 364.442 2.855 20 10 FFCDRN C[C@@H](C(=O)NCc1cc(Cl)ccc1O)S(=O)(=O)c1ccc(F)cc1 ZINC001146233221 1000645830 /nfs/dbraw/zinc/64/58/30/1000645830.db2.gz RCBPODSXFXCZJM-JTQLQIEISA-N 0 0 371.817 2.663 20 10 FFCDRN COc1ccc(C2(CNC(=O)c3ccc(C)c(O)c3O)CCOCC2)cc1 ZINC000770486095 1000813099 /nfs/dbraw/zinc/81/30/99/1000813099.db2.gz CDERFNVJUKWRTE-UHFFFAOYSA-N 0 0 371.433 2.893 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@]2(CCOC)CCOC2)cc1F ZINC000770563474 1000853412 /nfs/dbraw/zinc/85/34/12/1000853412.db2.gz CSVOSZGUHJXMLE-IBGZPJMESA-N 0 0 367.465 2.667 20 10 FFCDRN O=C(c1cccc2nccn21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000770652694 1000881019 /nfs/dbraw/zinc/88/10/19/1000881019.db2.gz KLFUKDGOIOOAFJ-MRXNPFEDSA-N 0 0 351.406 2.861 20 10 FFCDRN Cc1cc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)c(N)cc1F ZINC001147390795 1000884277 /nfs/dbraw/zinc/88/42/77/1000884277.db2.gz PTCZZCGCBCRCPG-UHFFFAOYSA-N 0 0 370.428 2.670 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)cc1 ZINC000012400202 1016457243 /nfs/dbraw/zinc/45/72/43/1016457243.db2.gz ODYIMLJWONQLHS-CQSZACIVSA-N 0 0 369.421 2.628 20 10 FFCDRN CCOC(=O)c1cc(C(=O)NCc2cc(C)ccc2O)cc([N+](=O)[O-])c1 ZINC001147956932 1001014907 /nfs/dbraw/zinc/01/49/07/1001014907.db2.gz KIGJOUHOWBYQMB-UHFFFAOYSA-N 0 0 358.350 2.716 20 10 FFCDRN C[C@H]1[C@@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1cccc(O)c1O ZINC001148212080 1001067805 /nfs/dbraw/zinc/06/78/05/1001067805.db2.gz LAFITHYGFCUWFW-QWHCGFSZSA-N 0 0 364.442 2.863 20 10 FFCDRN C[C@H]1[C@H](CNC(=O)OC(C)(C)C)CCCN1C(=O)c1cccc(O)c1O ZINC001148212081 1001068119 /nfs/dbraw/zinc/06/81/19/1001068119.db2.gz LAFITHYGFCUWFW-STQMWFEESA-N 0 0 364.442 2.863 20 10 FFCDRN O=C(NCC1CC1)[C@H]1CCC2(C1)CCN(C(=O)c1cccc(O)c1O)CC2 ZINC001148214046 1001069196 /nfs/dbraw/zinc/06/91/96/1001069196.db2.gz NQQIDIAFWUVEFZ-HNNXBMFYSA-N 0 0 372.465 2.647 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccnn2C2CCCC2)c1 ZINC000746506469 1001095592 /nfs/dbraw/zinc/09/55/92/1001095592.db2.gz WDHHLHILSDLPBJ-GFCCVEGCSA-N 0 0 372.425 2.528 20 10 FFCDRN C[NH+]1CCN(c2ccc(/C=C/c3ncc([N+](=O)[O-])cc3C(=O)[O-])cc2)CC1 ZINC000771517398 1001135342 /nfs/dbraw/zinc/13/53/42/1001135342.db2.gz GRCFZVCXNKHUJO-QPJJXVBHSA-N 0 0 368.393 2.610 20 10 FFCDRN CC(C)c1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)cn1 ZINC000771586321 1001144296 /nfs/dbraw/zinc/14/42/96/1001144296.db2.gz HKSOYLUILFIHRQ-UHFFFAOYSA-N 0 0 374.422 2.999 20 10 FFCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000771620736 1001161393 /nfs/dbraw/zinc/16/13/93/1001161393.db2.gz FMGGZHPUOLBHNB-CHWSQXEVSA-N 0 0 364.442 2.951 20 10 FFCDRN COc1cccc([C@@H]2CSCCN2C(=O)c2cc(O)c(O)c(O)c2)c1 ZINC001148588292 1001176605 /nfs/dbraw/zinc/17/66/05/1001176605.db2.gz RDZYOTDBNSQWAE-AWEZNQCLSA-N 0 0 361.419 2.742 20 10 FFCDRN COc1ccc2cccc(CCNC(=O)c3cc(O)c(O)c(O)c3)c2c1 ZINC001148589980 1001176777 /nfs/dbraw/zinc/17/67/77/1001176777.db2.gz UDWUATPHCPGTKW-UHFFFAOYSA-N 0 0 353.374 2.938 20 10 FFCDRN Cc1cc(C(=O)N2CCc3c(cccc3C(N)=O)C2)c(C)n1-c1ccccn1 ZINC001148845421 1001221119 /nfs/dbraw/zinc/22/11/19/1001221119.db2.gz BVLQTIVYVLPEQV-UHFFFAOYSA-N 0 0 374.444 2.787 20 10 FFCDRN Cc1ncc(CCNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000771967582 1001257639 /nfs/dbraw/zinc/25/76/39/1001257639.db2.gz ACBFUSZLHKUZRZ-AWEZNQCLSA-N 0 0 374.510 2.891 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cnc2n1CCC2 ZINC000772350453 1001359144 /nfs/dbraw/zinc/35/91/44/1001359144.db2.gz QWEMQTNDFQQNIY-UHFFFAOYSA-N 0 0 374.510 2.640 20 10 FFCDRN CCOCCN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000772444452 1001395794 /nfs/dbraw/zinc/39/57/94/1001395794.db2.gz QPXVKJJVDJCIAE-GJZGRUSLSA-N 0 0 367.465 2.617 20 10 FFCDRN C[C@H](NC(=O)NCCCc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000772606530 1001439317 /nfs/dbraw/zinc/43/93/17/1001439317.db2.gz WWDFKWYSXJLBKL-KRWDZBQOSA-N 0 0 368.481 2.911 20 10 FFCDRN CC[C@]1(C)Oc2ccc(NC(=O)C(=O)N(C)Cc3ccccc3O)cc2O1 ZINC000785986819 1001514185 /nfs/dbraw/zinc/51/41/85/1001514185.db2.gz YNVCBTJDDIFLLP-HXUWFJFHSA-N 0 0 370.405 2.887 20 10 FFCDRN CCc1cc(C)nc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)n1 ZINC000786073208 1001520530 /nfs/dbraw/zinc/52/05/30/1001520530.db2.gz KJIWOYNYYKXECL-UHFFFAOYSA-N 0 0 353.470 2.628 20 10 FFCDRN COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2cnn(C)n2)cc1 ZINC000786138687 1001544431 /nfs/dbraw/zinc/54/44/31/1001544431.db2.gz CNFBJCFGAUZSSB-UHFFFAOYSA-N 0 0 365.437 2.737 20 10 FFCDRN Cc1cccc(C[C@H](CO)NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000786237208 1001561293 /nfs/dbraw/zinc/56/12/93/1001561293.db2.gz SCWKLWJYJLZVML-LJQANCHMSA-N 0 0 355.482 2.772 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(OCC)cc1 ZINC000787193664 1001674393 /nfs/dbraw/zinc/67/43/93/1001674393.db2.gz REMYSUGOTKHHNE-UHFFFAOYSA-N 0 0 370.449 2.846 20 10 FFCDRN Cc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(C)c1 ZINC000787297291 1001680666 /nfs/dbraw/zinc/68/06/66/1001680666.db2.gz HGFCMIFIYURKIR-INIZCTEOSA-N 0 0 353.466 2.863 20 10 FFCDRN Cc1cc(C(=O)NCc2ncnn2-c2ccccc2)c(C)n1-c1ccccn1 ZINC000787605017 1001700110 /nfs/dbraw/zinc/70/01/10/1001700110.db2.gz RPVBNDNQNRPLHH-UHFFFAOYSA-N 0 0 372.432 3.000 20 10 FFCDRN Cc1cc(C(=O)COC(=O)CCn2ccnn2)c(C)n1-c1cccc(F)c1 ZINC000787625652 1001701715 /nfs/dbraw/zinc/70/17/15/1001701715.db2.gz ZECHMGLAYFEXNX-UHFFFAOYSA-N 0 0 370.384 2.641 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)NCCCC2CCCCC2)cc1F ZINC000788221196 1001774862 /nfs/dbraw/zinc/77/48/62/1001774862.db2.gz AHUZMGZOYLDARC-UHFFFAOYSA-N 0 0 363.477 2.985 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@](N)(c2cccc(F)c2)C(F)(F)F)c1 ZINC000788299654 1001781757 /nfs/dbraw/zinc/78/17/57/1001781757.db2.gz SVGINNOPGKSFBW-INIZCTEOSA-N 0 0 372.318 2.573 20 10 FFCDRN C[C@@H](NC(=O)c1cnn(-c2ccc(F)cc2)n1)c1ccc(N(C)C)cc1 ZINC000773000351 1001798115 /nfs/dbraw/zinc/79/81/15/1001798115.db2.gz OQOIVEALORKRBG-CYBMUJFWSA-N 0 0 353.401 2.963 20 10 FFCDRN O=C(NCCC1CCCCC1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000788430889 1001799185 /nfs/dbraw/zinc/79/91/85/1001799185.db2.gz FMTQRYWCWPHWMI-UHFFFAOYSA-N 0 0 357.498 2.990 20 10 FFCDRN O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(O[C@H]2CCOC2)cc1 ZINC000788742857 1001865629 /nfs/dbraw/zinc/86/56/29/1001865629.db2.gz PJHHIKGGOSEMQD-FQEVSTJZSA-N 0 0 368.433 2.943 20 10 FFCDRN C[C@@H](NC(=O)[C@@H]1CCC(=O)c2cccn21)c1ccc(N2CCOCC2)cc1 ZINC000788741915 1001866820 /nfs/dbraw/zinc/86/68/20/1001866820.db2.gz JIKDPAAHRPGCIJ-BEFAXECRSA-N 0 0 367.449 2.720 20 10 FFCDRN CCO[C@@H]1C[C@@](O)(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000788833106 1001886820 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2.508 20 10 FFCDRN Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)[nH]n1 ZINC000123470765 1012714209 /nfs/dbraw/zinc/71/42/09/1012714209.db2.gz YLATVLITDRJWNN-UHFFFAOYSA-N 0 0 370.432 2.562 20 10 FFCDRN Cc1ccc(N2CC[C@H](NC(=O)N[C@@H](C)c3ccccc3O)C2=O)cc1 ZINC001222012908 1032652995 /nfs/dbraw/zinc/65/29/95/1032652995.db2.gz CVENXSPKQUCESJ-YOEHRIQHSA-N 0 0 353.422 2.866 20 10 FFCDRN O=C([C@H]1CCC(=O)N(c2cccc(F)c2)C1)N1Cc2cccc(O)c2C1 ZINC000871205621 1012784453 /nfs/dbraw/zinc/78/44/53/1012784453.db2.gz IRODUSMXKOCEKV-AWEZNQCLSA-N 0 0 354.381 2.817 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000097550245 1012869165 /nfs/dbraw/zinc/86/91/65/1012869165.db2.gz KIFQVXXZBCIRKL-QMMMGPOBSA-N 0 0 368.311 2.634 20 10 FFCDRN CN(C)c1ccc(CN2CC[C@@]3(CC[N@H+](Cc4nccs4)C3)C2=O)cc1 ZINC001275722967 1012923976 /nfs/dbraw/zinc/92/39/76/1012923976.db2.gz BLYKNMWTVUSKAC-HXUWFJFHSA-N 0 0 370.522 2.834 20 10 FFCDRN CN(C)c1ccc(CN2C(=O)CC[C@@H]3[C@H]2CCN3Cc2nccs2)cc1 ZINC001275723919 1012929107 /nfs/dbraw/zinc/92/91/07/1012929107.db2.gz JQQVJFRBUGCEAE-QZTJIDSGSA-N 0 0 370.522 2.975 20 10 FFCDRN COC(OC)[C@@H](C)NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888583370 1013016214 /nfs/dbraw/zinc/01/62/14/1013016214.db2.gz FUHQAPVHAATGGC-GFCCVEGCSA-N 0 0 355.398 2.525 20 10 FFCDRN C[C@@H](Nc1ccn(C)n1)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000123706093 1013018343 /nfs/dbraw/zinc/01/83/43/1013018343.db2.gz GWQXSDXNQKYLSE-GFCCVEGCSA-N 0 0 374.400 2.635 20 10 FFCDRN CN(C)c1ccc(CN2C(=O)[C@H]3c4ccccc4OCCN3C2=O)cc1 ZINC000924445431 1017295025 /nfs/dbraw/zinc/29/50/25/1017295025.db2.gz NNHSBOZVJBQJSD-GOSISDBHSA-N 0 0 351.406 2.651 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)CCCn3ccnc3)cc2F)C[C@H](C)O1 ZINC000748625369 1017451864 /nfs/dbraw/zinc/45/18/64/1017451864.db2.gz ZPPMPPSUDHBFIP-HOTGVXAUSA-N 0 0 374.460 2.732 20 10 FFCDRN CCN1CCC[C@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1=O ZINC000925967603 1017924314 /nfs/dbraw/zinc/92/43/14/1017924314.db2.gz RYUULNYIVZVMCW-KRWDZBQOSA-N 0 0 371.437 2.708 20 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/nfs/dbraw/zinc/82/43/52/1018824352.db2.gz IXQVKXYVAGFIKR-SFHVURJKSA-N 0 0 355.438 2.986 20 10 FFCDRN COc1ccc(CNC(=O)c2nn(-c3ccc(F)cc3)cc2C)c(O)c1 ZINC000801300178 1018825147 /nfs/dbraw/zinc/82/51/47/1018825147.db2.gz WBTVERCFMDXOTH-UHFFFAOYSA-N 0 0 355.369 2.964 20 10 FFCDRN Cc1cc(CC(=O)NCCOC[C@@H]2CCCO2)c(C)n1-c1ccccc1 ZINC000827898926 1018947298 /nfs/dbraw/zinc/94/72/98/1018947298.db2.gz WSHCQQYGLAOQSS-FQEVSTJZSA-N 0 0 356.466 2.948 20 10 FFCDRN C[C@@H](NC(=O)[C@@H](c1ccccc1F)N1CCOCC1)c1ccccc1O ZINC000827937169 1019051794 /nfs/dbraw/zinc/05/17/94/1019051794.db2.gz MYZOOWPBEOLKTO-AUUYWEPGSA-N 0 0 358.413 2.782 20 10 FFCDRN COc1cc(C(=O)N[C@H](C)c2ccccc2O)cc(NC(C)=O)c1OC ZINC000827937455 1019052351 /nfs/dbraw/zinc/05/23/51/1019052351.db2.gz XHVUTSNOQRQPFA-LLVKDONJSA-N 0 0 358.394 2.859 20 10 FFCDRN C[C@@H](NC(=O)[C@@H]1CC(=O)N(c2c(F)cccc2F)C1)c1ccccc1O ZINC000827940835 1019056748 /nfs/dbraw/zinc/05/67/48/1019056748.db2.gz JDORLOMASFLCCS-VXGBXAGGSA-N 0 0 360.360 2.901 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)CNC(=O)COc1ccccc1 ZINC000801548981 1019101299 /nfs/dbraw/zinc/10/12/99/1019101299.db2.gz ZJIPHGQWNVXSHL-UHFFFAOYSA-N 0 0 370.449 2.716 20 10 FFCDRN CCN1CC[C@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C1=O ZINC000801747327 1019329212 /nfs/dbraw/zinc/32/92/12/1019329212.db2.gz NNLGBTUDRKVLQO-IBGZPJMESA-N 0 0 372.513 2.876 20 10 FFCDRN O=C(NCc1c(O)cccc1F)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 ZINC000929523218 1019479850 /nfs/dbraw/zinc/47/98/50/1019479850.db2.gz GRYYJHOXTZXXKK-KRWDZBQOSA-N 0 0 373.384 2.971 20 10 FFCDRN CCn1cc(CC(=O)NCCc2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000929551491 1019504540 /nfs/dbraw/zinc/50/45/40/1019504540.db2.gz DMJIOPCITQBVGH-UHFFFAOYSA-N 0 0 351.454 2.607 20 10 FFCDRN O=C(Cn1cnc2c1CCCC2)NCc1ccc(N2CCSCC2)cc1 ZINC000777797765 1019520269 /nfs/dbraw/zinc/52/02/69/1019520269.db2.gz ZBAFRBWAUVFBQD-UHFFFAOYSA-N 0 0 370.522 2.632 20 10 FFCDRN Cc1nc(N)nc(C)c1C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000777846339 1019710036 /nfs/dbraw/zinc/71/00/36/1019710036.db2.gz GGJRXKUUPLEHNB-UHFFFAOYSA-N 0 0 353.470 2.938 20 10 FFCDRN C[C@@H]1OCCO[C@@H]1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000929950227 1019763161 /nfs/dbraw/zinc/76/31/61/1019763161.db2.gz GUZDTNAYCXETJX-KXBFYZLASA-N 0 0 358.438 2.678 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000802225141 1019905233 /nfs/dbraw/zinc/90/52/33/1019905233.db2.gz YKNFMOJUKIHUOQ-OIISXLGYSA-N 0 0 359.470 2.713 20 10 FFCDRN C[C@@]1(C(=O)NCc2ccc(N3CCOCC3)cc2)CCOc2ccccc21 ZINC000930524380 1020068604 /nfs/dbraw/zinc/06/86/04/1020068604.db2.gz XCBNSMJRLLBBRE-JOCHJYFZSA-N 0 0 366.461 2.880 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CCCN(C2CC2)C1=O ZINC000930933386 1020245829 /nfs/dbraw/zinc/24/58/29/1020245829.db2.gz COVQDBCZRRCFBJ-LJQANCHMSA-N 0 0 355.482 2.694 20 10 FFCDRN Cc1noc(C)c1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000725865753 1020273594 /nfs/dbraw/zinc/27/35/94/1020273594.db2.gz OYVBARBZOZCZLJ-ZDUSSCGKSA-N 0 0 358.442 2.688 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C[C@@H]2C(=O)Nc3c2cccc3F)cc1F ZINC000931146984 1020347287 /nfs/dbraw/zinc/34/72/87/1020347287.db2.gz NRPYEVNBYIKLCB-ZDUSSCGKSA-N 0 0 359.376 2.773 20 10 FFCDRN CNC(=O)Nc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000931152653 1020349370 /nfs/dbraw/zinc/34/93/70/1020349370.db2.gz WCBQGYPHPNEJGN-UHFFFAOYSA-N 0 0 352.438 2.750 20 10 FFCDRN CN(c1ccc(CNC(=O)/C=C\Cn2cncn2)cc1)C1CCCCC1 ZINC000900406410 1020405848 /nfs/dbraw/zinc/40/58/48/1020405848.db2.gz QASBELFRNVGOLK-YVMONPNESA-N 0 0 353.470 2.920 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)C(=O)NCCF)c(C)n1-c1cc(C)cc(C)c1 ZINC000800598309 1020415917 /nfs/dbraw/zinc/41/59/17/1020415917.db2.gz HEHCALNTCYLHNV-HNNXBMFYSA-N 0 0 359.445 2.915 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Cn3cnc4ccccc43)CC2)cc1 ZINC000726562625 1020484896 /nfs/dbraw/zinc/48/48/96/1020484896.db2.gz MVZJGZBFMFKKIQ-UHFFFAOYSA-N 0 0 364.449 2.830 20 10 FFCDRN C[C@@H](NC(=O)N(C)CCc1ccncc1)c1ccc(N2CCOCC2)cc1 ZINC000726709500 1020511741 /nfs/dbraw/zinc/51/17/41/1020511741.db2.gz XGBKQIZJAIUXRR-QGZVFWFLSA-N 0 0 368.481 2.863 20 10 FFCDRN C[C@H]1COCCN1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726722899 1020512579 /nfs/dbraw/zinc/51/25/79/1020512579.db2.gz XMWOAFAHXZTPHF-ZDUSSCGKSA-N 0 0 369.412 2.687 20 10 FFCDRN COCc1cccc(-c2cn(Cc3ccc(N4CCOCC4)cc3)nn2)c1 ZINC000900600282 1020536831 /nfs/dbraw/zinc/53/68/31/1020536831.db2.gz GYIWMOCCVNPEQV-UHFFFAOYSA-N 0 0 364.449 2.976 20 10 FFCDRN CCn1nc(C)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000726939724 1020553020 /nfs/dbraw/zinc/55/30/20/1020553020.db2.gz OUUQOAJFJWGETG-CQSZACIVSA-N 0 0 356.470 2.847 20 10 FFCDRN CC[C@H](OC(=O)c1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)C(N)=O ZINC000726990371 1020566718 /nfs/dbraw/zinc/56/67/18/1020566718.db2.gz LOPCZFZNOOASRK-ZDUSSCGKSA-N 0 0 371.776 2.536 20 10 FFCDRN C[C@@H](NC(=O)c1ccnc(NC(=O)C2CC2)c1)c1ccc(N(C)C)cc1 ZINC000803121832 1020630109 /nfs/dbraw/zinc/63/01/09/1020630109.db2.gz UMBMLRYDEIMNKK-CYBMUJFWSA-N 0 0 352.438 2.987 20 10 FFCDRN Cc1ccc(O)cc1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC000900793078 1020647713 /nfs/dbraw/zinc/64/77/13/1020647713.db2.gz RAWXNWLQMGOCTJ-UHFFFAOYSA-N 0 0 353.422 2.655 20 10 FFCDRN Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1C ZINC000900869732 1020690766 /nfs/dbraw/zinc/69/07/66/1020690766.db2.gz PMYZHKHVROIZOG-CYBMUJFWSA-N 0 0 364.396 2.729 20 10 FFCDRN CCOC(=O)N[C@@H](CNC(=O)N[C@H](C)c1ccccc1O)CC(C)C ZINC001222380821 1032927333 /nfs/dbraw/zinc/92/73/33/1032927333.db2.gz ANLQRUXWVCYLCV-ZIAGYGMSSA-N 0 0 351.447 2.913 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000903400408 1020823955 /nfs/dbraw/zinc/82/39/55/1020823955.db2.gz UPJZZWSPKGPNMT-WDEREUQCSA-N 0 0 368.359 2.836 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCc2cccnc21 ZINC000932750474 1020891493 /nfs/dbraw/zinc/89/14/93/1020891493.db2.gz RXJWGPQZFKXLCI-KRWDZBQOSA-N 0 0 367.449 2.720 20 10 FFCDRN CCc1noc(C)c1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000749405848 1020972662 /nfs/dbraw/zinc/97/26/62/1020972662.db2.gz 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CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ncc(C(N)=O)cc1Cl ZINC001116352772 1021175700 /nfs/dbraw/zinc/17/57/00/1021175700.db2.gz XFUMUIASJGATGQ-UHFFFAOYSA-N 0 0 360.845 2.562 20 10 FFCDRN Cn1cnc(/C=C/C(=O)N2C[C@@H](CCN3CCCC3=O)c3ccccc32)c1 ZINC000934327608 1021198005 /nfs/dbraw/zinc/19/80/05/1021198005.db2.gz CYSHGLYTZAGHHZ-ROJDOSBLSA-N 0 0 364.449 2.576 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)CCCOc3cccnc3)CC2)cc1 ZINC001116419565 1021208397 /nfs/dbraw/zinc/20/83/97/1021208397.db2.gz NUNYZNYUFXCFTA-UHFFFAOYSA-N 0 0 369.465 2.988 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3nncc4ccccc43)CC2)cc1F ZINC000934405226 1021224022 /nfs/dbraw/zinc/22/40/22/1021224022.db2.gz SQZUXOPWLFKOQU-UHFFFAOYSA-N 0 0 366.396 2.740 20 10 FFCDRN COC(=O)N1CCCN(Cc2cc(C)cc(Br)c2O)CC1 ZINC001116525979 1021263586 /nfs/dbraw/zinc/26/35/86/1021263586.db2.gz LTTKRGIEOWDPMZ-UHFFFAOYSA-N 0 0 357.248 2.737 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3ccnc(F)c3OC)C2)cc1 ZINC000934857094 1021433507 /nfs/dbraw/zinc/43/35/07/1021433507.db2.gz PNVGCFXMIOLUHW-CYBMUJFWSA-N 0 0 374.416 2.886 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000750236736 1021578987 /nfs/dbraw/zinc/57/89/87/1021578987.db2.gz RUUUGTVGKRBBJI-GFCCVEGCSA-N 0 0 364.442 2.835 20 10 FFCDRN CSc1ccncc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000750255988 1021616042 /nfs/dbraw/zinc/61/60/42/1021616042.db2.gz NNOHMVHWQRLSPP-UHFFFAOYSA-N 0 0 371.462 2.643 20 10 FFCDRN CCCC(=O)N1CSC[C@H]1C(=O)Nc1c2nonc2ccc1Cl ZINC001117507097 1021733192 /nfs/dbraw/zinc/73/31/92/1021733192.db2.gz AXRKWFYIVFFJOU-JTQLQIEISA-N 0 0 354.819 2.516 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H]4C[C@@H]4C[C@H]3C)cc2)CC1 ZINC000935570125 1021768034 /nfs/dbraw/zinc/76/80/34/1021768034.db2.gz TWRLLXDMLGBXBG-PXDUREFJSA-N 0 0 369.509 2.654 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](c2ccccc2)C1 ZINC001117843946 1021935353 /nfs/dbraw/zinc/93/53/53/1021935353.db2.gz VASYWMNJUCUFOM-KRWDZBQOSA-N 0 0 352.434 2.757 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)CCC(F)(F)F ZINC001117880877 1021957094 /nfs/dbraw/zinc/95/70/94/1021957094.db2.gz STTSQGVGEIMMHD-UHFFFAOYSA-N 0 0 359.392 2.512 20 10 FFCDRN O=S(=O)(NCc1cccc(O)c1O)c1cc(Cl)c(Cl)s1 ZINC001257521554 1022070436 /nfs/dbraw/zinc/07/04/36/1022070436.db2.gz UXJVQQQNRVMOGJ-UHFFFAOYSA-N 0 0 354.236 2.945 20 10 FFCDRN CNC(=O)c1cccc(CNC(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000041405147 1022074210 /nfs/dbraw/zinc/07/42/10/1022074210.db2.gz NXCGXEGVBCQQOD-UHFFFAOYSA-N 0 0 366.465 2.646 20 10 FFCDRN COC(=O)[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)[C@H]1C ZINC000829147588 1033027739 /nfs/dbraw/zinc/02/77/39/1033027739.db2.gz WZABBRWXXWPJNK-BBRMVZONSA-N 0 0 373.428 2.694 20 10 FFCDRN CN(C)c1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000041925338 1022122557 /nfs/dbraw/zinc/12/25/57/1022122557.db2.gz RLFHQELHXJEFLI-UHFFFAOYSA-N 0 0 366.465 2.608 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N1CCC[C@H](F)C1 ZINC001118315467 1022175874 /nfs/dbraw/zinc/17/58/74/1022175874.db2.gz BVZOWSCMHYKCML-KRWDZBQOSA-N 0 0 361.461 2.596 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1C(C)(C)C1(F)F ZINC001118451964 1022240830 /nfs/dbraw/zinc/24/08/30/1022240830.db2.gz URPHMHOKYXEVGE-HNNXBMFYSA-N 0 0 368.424 2.928 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 ZINC000750638661 1022276187 /nfs/dbraw/zinc/27/61/87/1022276187.db2.gz PGWDHYWSVMCMFV-INIZCTEOSA-N 0 0 360.502 2.731 20 10 FFCDRN C[C@H](O)[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC001118531333 1022276441 /nfs/dbraw/zinc/27/64/41/1022276441.db2.gz CZSURQXCOLKGTC-MGPUTAFESA-N 0 0 353.466 2.990 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 ZINC000155988206 1022311283 /nfs/dbraw/zinc/31/12/83/1022311283.db2.gz IADIEOSXTMZSJA-UHFFFAOYSA-N 0 0 371.393 2.839 20 10 FFCDRN Cc1ccc(O)c(CNS(=O)(=O)c2cc(C)c(C)cc2[N+](=O)[O-])c1 ZINC001118821923 1022425746 /nfs/dbraw/zinc/42/57/46/1022425746.db2.gz SQMFLZJITYPSHJ-UHFFFAOYSA-N 0 0 350.396 2.704 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H]2C(=O)NC2CC2)cc1 ZINC000045750956 1022425799 /nfs/dbraw/zinc/42/57/99/1022425799.db2.gz XGJFDGKFDQPWNR-LJQANCHMSA-N 0 0 351.450 2.977 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCCN2C(=O)c2ccco2)c1 ZINC000157820743 1022462401 /nfs/dbraw/zinc/46/24/01/1022462401.db2.gz GBXWAGUANQSTOO-CZUORRHYSA-N 0 0 372.421 2.866 20 10 FFCDRN C[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCO1 ZINC000829252273 1033063670 /nfs/dbraw/zinc/06/36/70/1033063670.db2.gz BRVSCVGFMNGUAJ-KUHUBIRLSA-N 0 0 364.461 2.608 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3CC[N@H+](C)C[C@H]3C(C)C)CC2)cc1 ZINC000158633150 1022549069 /nfs/dbraw/zinc/54/90/69/1022549069.db2.gz QKWCPLBYXNAYEF-FQEVSTJZSA-N 0 0 374.529 2.646 20 10 FFCDRN Cc1cc(C(=O)COC(=O)c2ccn(C)c(=O)c2)c(C)n1-c1ccccc1 ZINC000047484847 1022562342 /nfs/dbraw/zinc/56/23/42/1022562342.db2.gz MSRJLFUBEPXQJM-UHFFFAOYSA-N 0 0 364.401 2.833 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCO[C@@H](c3noc(C4CC4)n3)C2)c1O ZINC000750821780 1022586254 /nfs/dbraw/zinc/58/62/54/1022586254.db2.gz BUPNIMFIZJNFFA-OAHLLOKOSA-N 0 0 361.373 2.568 20 10 FFCDRN Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(O)c(O)c3)cc2F)n1 ZINC000158993808 1022603588 /nfs/dbraw/zinc/60/35/88/1022603588.db2.gz YJAXOJWPTWMKOD-UHFFFAOYSA-N 0 0 355.369 2.969 20 10 FFCDRN CN(C)[C@@H](CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccco1 ZINC000047792551 1022606389 /nfs/dbraw/zinc/60/63/89/1022606389.db2.gz WLHNUZJMOCAEFK-SFHVURJKSA-N 0 0 356.470 2.982 20 10 FFCDRN Cc1cc(O[C@H]2CNCC(F)(F)C2)c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001218273759 1033078254 /nfs/dbraw/zinc/07/82/54/1033078254.db2.gz BXTUBZPJUKIDBD-LLVKDONJSA-N 0 0 373.355 2.852 20 10 FFCDRN O=C(CNC(=O)CC1CCCC1)NCc1ccc(N2CCCCC2)cc1 ZINC000751387148 1022821448 /nfs/dbraw/zinc/82/14/48/1022821448.db2.gz ZMVSYKVUMJRDEF-UHFFFAOYSA-N 0 0 357.498 2.990 20 10 FFCDRN Cc1cc(C(=O)N2CCN(CCO)[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000779124612 1022851976 /nfs/dbraw/zinc/85/19/76/1022851976.db2.gz QOKJYZQGXBRBAB-QGZVFWFLSA-N 0 0 355.482 2.541 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COc3ccc4[nH]ccc4c3)CC2)cc1 ZINC000160020532 1022875214 /nfs/dbraw/zinc/87/52/14/1022875214.db2.gz FXEBMVDKLCHJFL-UHFFFAOYSA-N 0 0 365.433 2.904 20 10 FFCDRN Cc1coc2ccc(NC(=O)C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cc12 ZINC000187891986 1022960474 /nfs/dbraw/zinc/96/04/74/1022960474.db2.gz PFDODBJRPLRVGC-LBPRGKRZSA-N 0 0 368.389 2.838 20 10 FFCDRN COc1ccc([C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1C ZINC001119742224 1022968571 /nfs/dbraw/zinc/96/85/71/1022968571.db2.gz MKAYXNASMIICHE-OAHLLOKOSA-N 0 0 369.465 2.563 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCC(CSC)CC1 ZINC001122354907 1023211768 /nfs/dbraw/zinc/21/17/68/1023211768.db2.gz JOOFIDBFJUJFLJ-UHFFFAOYSA-N 0 0 368.528 2.938 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC(Cc2ccccc2)C1 ZINC000752912000 1023223823 /nfs/dbraw/zinc/22/38/23/1023223823.db2.gz PIMZMOSXDYKKCT-UHFFFAOYSA-N 0 0 365.477 2.907 20 10 FFCDRN C[C@@H]1CN(c2ccnc(C(=O)N(C)Cc3ccccc3O)c2)C[C@H](C)O1 ZINC000189282157 1023246042 /nfs/dbraw/zinc/24/60/42/1023246042.db2.gz HZDFZTYKKUGJEG-GASCZTMLSA-N 0 0 355.438 2.673 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCC[C@@H](CCF)C1 ZINC001122446474 1023275255 /nfs/dbraw/zinc/27/52/55/1023275255.db2.gz LHMJNKBYWYBSGJ-LBPRGKRZSA-N 0 0 354.451 2.935 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC[C@@H](C2(C)OCCO2)C1 ZINC000753191259 1023284826 /nfs/dbraw/zinc/28/48/26/1023284826.db2.gz PLNPHSLWSGTCSL-QGZVFWFLSA-N 0 0 361.486 2.746 20 10 FFCDRN COc1ccc(C=O)c(OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000076423643 1023299957 /nfs/dbraw/zinc/29/99/57/1023299957.db2.gz YZPVRQBVTZQNAN-UHFFFAOYSA-N 0 0 356.422 2.611 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1F ZINC000076563030 1023325090 /nfs/dbraw/zinc/32/50/90/1023325090.db2.gz FHWYMLCEUKZOQW-UHFFFAOYSA-N 0 0 356.397 2.973 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c(F)cccc3OC)CC2)cc1F ZINC000753738284 1023373856 /nfs/dbraw/zinc/37/38/56/1023373856.db2.gz HPCNXELOBOQTGV-UHFFFAOYSA-N 0 0 362.376 2.944 20 10 FFCDRN COCCn1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000190112978 1023405542 /nfs/dbraw/zinc/40/55/42/1023405542.db2.gz QUPMUGIFCLGCIC-UHFFFAOYSA-N 0 0 355.394 2.671 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc2nccnc21 ZINC000754359347 1023459876 /nfs/dbraw/zinc/45/98/76/1023459876.db2.gz SVLFPNVIVWETKI-UHFFFAOYSA-N 0 0 362.433 2.739 20 10 FFCDRN COc1cccc(-c2noc(SCC(=O)NCc3ccccc3O)n2)c1 ZINC000755516397 1023605858 /nfs/dbraw/zinc/60/58/58/1023605858.db2.gz QYFMDYCNINTVCC-UHFFFAOYSA-N 0 0 371.418 2.859 20 10 FFCDRN Cc1nccc(NCc2cccc(C(=O)NCc3ccc(O)c(O)c3)c2)n1 ZINC000755529858 1023606979 /nfs/dbraw/zinc/60/69/79/1023606979.db2.gz KLVDEOWZFOWWPB-UHFFFAOYSA-N 0 0 364.405 2.738 20 10 FFCDRN O=C(CSc1nc(-c2ccccc2)no1)NCCc1ccc(O)c(O)c1 ZINC000755532403 1023608209 /nfs/dbraw/zinc/60/82/09/1023608209.db2.gz PUPSKTYEGITVHF-UHFFFAOYSA-N 0 0 371.418 2.599 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C[C@](C)(O)C3CC3)cc2F)C[C@@H](C)O1 ZINC000755578711 1023611484 /nfs/dbraw/zinc/61/14/84/1023611484.db2.gz HYWHCRMXKUYCCK-JZKQVHKSSA-N 0 0 364.461 2.607 20 10 FFCDRN Cc1cc(-n2cccn2)ccc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000190717192 1023690463 /nfs/dbraw/zinc/69/04/63/1023690463.db2.gz UNNVGUZIEKIPHQ-UHFFFAOYSA-N 0 0 352.394 2.956 20 10 FFCDRN CC(C)Oc1ccc(CCNC(=O)CN(C)c2ccc3c(c2)OCO3)cc1 ZINC000756654667 1023741267 /nfs/dbraw/zinc/74/12/67/1023741267.db2.gz LCGFOTPSELOYFH-UHFFFAOYSA-N 0 0 370.449 2.998 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000756734250 1023750888 /nfs/dbraw/zinc/75/08/88/1023750888.db2.gz VHCOOOBPBOOWMX-KSSFIOAISA-N 0 0 368.433 2.943 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3ccc(O)c(OC)c3)CC2)cc1 ZINC000756778119 1023754085 /nfs/dbraw/zinc/75/40/85/1023754085.db2.gz BBRZLCZYXUWTSQ-UHFFFAOYSA-N 0 0 356.422 2.808 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc(O)c(OC)c3)CC2)cc1 ZINC000756778509 1023754308 /nfs/dbraw/zinc/75/43/08/1023754308.db2.gz NRCHMXWJZGHMIX-UHFFFAOYSA-N 0 0 356.422 2.762 20 10 FFCDRN COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000756855382 1023759948 /nfs/dbraw/zinc/75/99/48/1023759948.db2.gz FSVWDFFMIGSIAQ-KSSFIOAISA-N 0 0 360.429 2.556 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C[C@H](O)c2ccc(F)c(F)c2)n1C ZINC001121534999 1023833763 /nfs/dbraw/zinc/83/37/63/1023833763.db2.gz IVNUEDPMIOJWTB-KRWDZBQOSA-N 0 0 374.391 2.711 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2CN(C)Cc3ccccc32)c1 ZINC000757730937 1023852599 /nfs/dbraw/zinc/85/25/99/1023852599.db2.gz FMKDBFPYGXKCDR-ACJLOTCBSA-N 0 0 355.438 2.948 20 10 FFCDRN Cc1cc(C(=O)N2CCC(OCCO)CC2)c(C)n1-c1ccc(F)cc1 ZINC000757989201 1023899701 /nfs/dbraw/zinc/89/97/01/1023899701.db2.gz YPWLAMXHARRQNL-UHFFFAOYSA-N 0 0 360.429 2.847 20 10 FFCDRN CCn1c(-c2cncc(NC(C)=O)c2)nnc1N(C)Cc1ccccc1O ZINC001121648768 1023902752 /nfs/dbraw/zinc/90/27/52/1023902752.db2.gz QNHQGJLPIUTMFZ-UHFFFAOYSA-N 0 0 366.425 2.660 20 10 FFCDRN Cc1nc(N)nc(C)c1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001123654646 1023922678 /nfs/dbraw/zinc/92/26/78/1023922678.db2.gz YQESBSFPZBJDDV-UHFFFAOYSA-N 0 0 353.470 2.842 20 10 FFCDRN CCOC(=O)[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000779481246 1023935295 /nfs/dbraw/zinc/93/52/95/1023935295.db2.gz HAEPGHGPBTZSBI-KAMXEHQASA-N 0 0 369.417 2.649 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC[C@H]1C(=O)OCc1ccccc1 ZINC000779515516 1023948631 /nfs/dbraw/zinc/94/86/31/1023948631.db2.gz TXYLDMKGXWTIAY-KAMXEHQASA-N 0 0 367.401 2.845 20 10 FFCDRN CN(C)c1ccc(CN(C)CN2C[C@](C)(c3ccccn3)CC2=O)cc1 ZINC000758178455 1023949287 /nfs/dbraw/zinc/94/92/87/1023949287.db2.gz NHTSQNDPHYPZKL-OAQYLSRUSA-N 0 0 352.482 2.727 20 10 FFCDRN CCOC(=O)[C@@]1(NC(=O)/C=C\c2ccc(O)c(O)c2)CCc2ccccc21 ZINC000779523029 1023952425 /nfs/dbraw/zinc/95/24/25/1023952425.db2.gz YQTKHHOUDLYQEV-IZUALYBUSA-N 0 0 367.401 2.632 20 10 FFCDRN COC(=O)c1cc(NC(=O)/C=C\c2ccc(O)c(O)c2)c(OC)c(OC)c1 ZINC000779524823 1023955656 /nfs/dbraw/zinc/95/56/56/1023955656.db2.gz MDGWLUCTPCOBSM-ALCCZGGFSA-N 0 0 373.361 2.554 20 10 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1028631522 /nfs/dbraw/zinc/63/15/22/1028631522.db2.gz MREBTNFQVUJWTB-UHFFFAOYSA-N 0 0 369.358 2.770 20 10 FFCDRN CN(Cc1ccc(F)cc1F)C(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155226268 1028633753 /nfs/dbraw/zinc/63/37/53/1028633753.db2.gz SJNHYQQDZGIQGC-UHFFFAOYSA-N 0 0 361.300 2.755 20 10 FFCDRN Cc1cccc2c1[C@H](NC(=O)c1cc3cc(O)c(O)cc3oc1=O)CCO2 ZINC001155233090 1028638595 /nfs/dbraw/zinc/63/85/95/1028638595.db2.gz ZNBPADHGQAPPFI-CYBMUJFWSA-N 0 0 367.357 2.766 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@H](Cc3nccn3C)C2)cc1OC ZINC001162762721 1028648379 /nfs/dbraw/zinc/64/83/79/1028648379.db2.gz OBZXFRWNNXONMP-CYBMUJFWSA-N 0 0 360.414 2.805 20 10 FFCDRN COC(=O)N1CC(C)(NC(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 ZINC001155407929 1028722768 /nfs/dbraw/zinc/72/27/68/1028722768.db2.gz DVOVLZUJFLWXGN-UHFFFAOYSA-N 0 0 355.438 2.973 20 10 FFCDRN CCO[C@@H]1C[C@](CO)(NC(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1(C)C ZINC000780619570 1028749576 /nfs/dbraw/zinc/74/95/76/1028749576.db2.gz ANKWGDGYDZNNFT-WIBUTAKZSA-N 0 0 363.502 2.679 20 10 FFCDRN COc1cc2c(cc1O)CCN(C(=O)c1ccc(N=NC(N)=O)cc1)C2 ZINC001155576745 1028797667 /nfs/dbraw/zinc/79/76/67/1028797667.db2.gz AMGMAEWGVLQTTM-UHFFFAOYSA-N 0 0 354.366 2.762 20 10 FFCDRN CC(C)(C)C(=O)Nc1ccc(N2CCCc3cc(O)c(O)cc3C2)nn1 ZINC001155941709 1028985375 /nfs/dbraw/zinc/98/53/75/1028985375.db2.gz WMFVKPLIPCNHGA-UHFFFAOYSA-N 0 0 356.426 2.825 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COC(=O)C3(C)CCCCC3)CC2)cc1 ZINC000781268874 1029115590 /nfs/dbraw/zinc/11/55/90/1029115590.db2.gz PTSLXBFFOVWHTA-UHFFFAOYSA-N 0 0 374.481 2.857 20 10 FFCDRN Cc1ccc(CNC(=O)/C=C/c2ccc(O)c(O)c2)c(N2CCCC2)n1 ZINC000781386925 1029181204 /nfs/dbraw/zinc/18/12/04/1029181204.db2.gz UYZQOTBEZUDXMH-RMKNXTFCSA-N 0 0 353.422 2.731 20 10 FFCDRN CC(C)Cn1cc(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000781614161 1029306132 /nfs/dbraw/zinc/30/61/32/1029306132.db2.gz LXSPAOCNBWEQMQ-MRXNPFEDSA-N 0 0 356.470 2.867 20 10 FFCDRN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1c(O)cccc1O ZINC001156881141 1029388988 /nfs/dbraw/zinc/38/89/88/1029388988.db2.gz QXQZSVDWEWJXSA-ZDUSSCGKSA-N 0 0 350.415 2.504 20 10 FFCDRN O=C(C[C@H]1Oc2ccccc2NC1=O)NCc1c(O)ccc2ccccc21 ZINC001157041969 1029448779 /nfs/dbraw/zinc/44/87/79/1029448779.db2.gz RIIWKMIBRCYXAK-LJQANCHMSA-N 0 0 362.385 2.951 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)COc1ccc([N+](=O)[O-])c(F)c1 ZINC001157103321 1029467075 /nfs/dbraw/zinc/46/70/75/1029467075.db2.gz ZXHYJCVUAVOKAH-UHFFFAOYSA-N 0 0 369.345 2.620 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000782014611 1029522661 /nfs/dbraw/zinc/52/26/61/1029522661.db2.gz QOYJWCTWMLWGRT-UHFFFAOYSA-N 0 0 359.338 2.800 20 10 FFCDRN CCc1cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nc(C)n1 ZINC000782139886 1029586833 /nfs/dbraw/zinc/58/68/33/1029586833.db2.gz DOAMMPNGJQMKRW-INIZCTEOSA-N 0 0 353.470 2.661 20 10 FFCDRN Cc1nc2c(cnn2C(C)C)cc1C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782205265 1029609535 /nfs/dbraw/zinc/60/95/35/1029609535.db2.gz JAEYUEUFDGJEAV-UHFFFAOYSA-N 0 0 369.377 2.772 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](c1nc[nH]n1)c1ccccc1 ZINC000782971186 1029869122 /nfs/dbraw/zinc/86/91/22/1029869122.db2.gz IKXDAIMABKEEPE-SFHVURJKSA-N 0 0 364.453 2.768 20 10 FFCDRN O=C(Cc1ccc(OC(F)(F)F)cc1)OCC(=O)c1ccc(O)c(O)c1 ZINC000782976768 1029870430 /nfs/dbraw/zinc/87/04/30/1029870430.db2.gz OVYUQZZZLBSPJR-UHFFFAOYSA-N 0 0 370.279 2.965 20 10 FFCDRN COC(=O)CCCOC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000783094712 1029894722 /nfs/dbraw/zinc/89/47/22/1029894722.db2.gz IMELSADACGJGRQ-UHFFFAOYSA-N 0 0 352.342 2.572 20 10 FFCDRN COC(=O)[C@H](NCc1ccc(N(C)C)cc1C)c1ccc(OC)c(O)c1 ZINC000840941577 1029936652 /nfs/dbraw/zinc/93/66/52/1029936652.db2.gz DCTOMTIRFRNDBC-LJQANCHMSA-N 0 0 358.438 2.779 20 10 FFCDRN CCOc1ccc([C@H](C)NC(=O)C(=O)Nc2ccc(N)cc2)cc1OCC ZINC000841000624 1029966855 /nfs/dbraw/zinc/96/68/55/1029966855.db2.gz FURSGZPFGQMQCQ-ZDUSSCGKSA-N 0 0 371.437 2.882 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CCC[C@H]2COc2ccc(Cl)cc2)cc1 ZINC000841016500 1029978555 /nfs/dbraw/zinc/97/85/55/1029978555.db2.gz QKMNOLYRVLIVHE-INIZCTEOSA-N 0 0 373.840 2.931 20 10 FFCDRN C[C@@H]1CN(c2ccc(NC(=O)NCCc3ccc(N)cc3)cc2)CCO1 ZINC000841119322 1030052234 /nfs/dbraw/zinc/05/22/34/1030052234.db2.gz BVUBCXDANIRZLH-OAHLLOKOSA-N 0 0 354.454 2.858 20 10 FFCDRN COc1ccc2c(c1)CCC[C@@H]2N(C)C(=O)C(=O)Nc1ccc(N)cc1 ZINC000841119671 1030052572 /nfs/dbraw/zinc/05/25/72/1030052572.db2.gz GGDQKGBJIYUWQE-SFHVURJKSA-N 0 0 353.422 2.752 20 10 FFCDRN CC(C)c1ccc(O[C@@H](C)CNC(=O)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841131073 1030060848 /nfs/dbraw/zinc/06/08/48/1030060848.db2.gz WOECCIOCKLNOCX-AWEZNQCLSA-N 0 0 355.438 2.914 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 ZINC000841174381 1030090996 /nfs/dbraw/zinc/09/09/96/1030090996.db2.gz JZUNPPRNQBDXBK-UHFFFAOYSA-N 0 0 367.449 2.888 20 10 FFCDRN CC(C)[C@@H](C(=O)NCc1ccc(O)c(O)c1)[C@H](C)NC(=O)OC(C)(C)C ZINC000841406251 1030267193 /nfs/dbraw/zinc/26/71/93/1030267193.db2.gz QBJSIZFYWYQXCN-BLLLJJGKSA-N 0 0 366.458 2.899 20 10 FFCDRN C[C@@H]1CCCc2nc(S(=O)(=O)NCc3ccc4c(c3)CCCN4C)cn21 ZINC000841481137 1030312921 /nfs/dbraw/zinc/31/29/21/1030312921.db2.gz ZGVICDAIIYBRQO-CQSZACIVSA-N 0 0 374.510 2.641 20 10 FFCDRN COC(=O)C(C)(C)CCNC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841585954 1030350641 /nfs/dbraw/zinc/35/06/41/1030350641.db2.gz MVDOOHFBZUTPCO-HNNXBMFYSA-N 0 0 363.502 2.881 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1ccc2ncnn2c1 ZINC000841723514 1030429139 /nfs/dbraw/zinc/42/91/39/1030429139.db2.gz KSNLXXRHTCOZHZ-AWEZNQCLSA-N 0 0 352.442 2.856 20 10 FFCDRN CCn1cccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1=O ZINC000841730365 1030430861 /nfs/dbraw/zinc/43/08/61/1030430861.db2.gz LXGXWCRMGQAVFO-MRXNPFEDSA-N 0 0 371.437 2.787 20 10 FFCDRN COCCCOc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000784035191 1030432923 /nfs/dbraw/zinc/43/29/23/1030432923.db2.gz UDNHJZJKRFHPNK-UHFFFAOYSA-N 0 0 360.362 2.553 20 10 FFCDRN C[C@H]1C[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CO1 ZINC000784067918 1030450506 /nfs/dbraw/zinc/45/05/06/1030450506.db2.gz XMEIJSXNFOAABL-JSGCOSHPSA-N 0 0 372.387 2.583 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc3c2CCNC3=O)c1 ZINC000841781530 1030462508 /nfs/dbraw/zinc/46/25/08/1030462508.db2.gz SVELIUGOTRJOTQ-LLVKDONJSA-N 0 0 355.394 2.569 20 10 FFCDRN Nc1ccc(CCNC(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)cc1 ZINC000841855418 1030503647 /nfs/dbraw/zinc/50/36/47/1030503647.db2.gz GLNFGCJQEHJVLM-QGZVFWFLSA-N 0 0 372.856 2.569 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2nc(C)ccc2C(N)=O)C1 ZINC001166818710 1030533316 /nfs/dbraw/zinc/53/33/16/1030533316.db2.gz QVIWHDFUGTUFQB-UHFFFAOYSA-N 0 0 350.422 2.552 20 10 FFCDRN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CC[N@@H+]3Cc2cc(F)c(F)cc2[O-])n1 ZINC001142517545 1030565753 /nfs/dbraw/zinc/56/57/53/1030565753.db2.gz QWBAAHFLJKKTDF-ZWKOTPCHSA-N 0 0 373.403 2.749 20 10 FFCDRN Cc1cc(C(=O)CN(CCO)C2CCC2)c(C)n1-c1ccc2c(c1)OCO2 ZINC000784394289 1030602940 /nfs/dbraw/zinc/60/29/40/1030602940.db2.gz STTIMPVEAOTRFG-UHFFFAOYSA-N 0 0 370.449 2.852 20 10 FFCDRN C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842238782 1030652933 /nfs/dbraw/zinc/65/29/33/1030652933.db2.gz YKISRIBBBLMLHG-AUUYWEPGSA-N 0 0 369.440 2.676 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)N[C@H](c2ccc(O)cc2)C1=O ZINC000842264774 1030663615 /nfs/dbraw/zinc/66/36/15/1030663615.db2.gz NFEJIGLMGJMZFK-AUUYWEPGSA-N 0 0 367.449 2.991 20 10 FFCDRN COC(=O)COc1ccc(N(C)C[C@@H](O)COc2ccc(C)cc2C)cc1 ZINC000784559497 1030682679 /nfs/dbraw/zinc/68/26/79/1030682679.db2.gz TURLCEVPBPIADK-GOSISDBHSA-N 0 0 373.449 2.731 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 ZINC000784567195 1030686615 /nfs/dbraw/zinc/68/66/15/1030686615.db2.gz QKXDLZOECJAHFL-UHFFFAOYSA-N 0 0 353.378 2.524 20 10 FFCDRN Cn1cc(Br)cc1C(=O)NCc1ccc2cccnc2c1O ZINC001142728151 1030769752 /nfs/dbraw/zinc/76/97/52/1030769752.db2.gz MZQGGDMTNWIUFT-UHFFFAOYSA-N 0 0 360.211 2.971 20 10 FFCDRN CCN(CC)c1ccnc([C@H]2COCCN2Cc2cccc(OC)c2O)n1 ZINC001203594174 1030778109 /nfs/dbraw/zinc/77/81/09/1030778109.db2.gz UAJRMWJGMSZIOS-MRXNPFEDSA-N 0 0 372.469 2.611 20 10 FFCDRN COC[C@@H]1CN(Cc2cc(Br)ccc2O)Cc2ncn(C)c21 ZINC001203640056 1030799904 /nfs/dbraw/zinc/79/99/04/1030799904.db2.gz PSGNLSZJOLPBJI-LBPRGKRZSA-N 0 0 366.259 2.634 20 10 FFCDRN COC[C@@H]1CN(Cc2cc(OC)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001203671275 1030817546 /nfs/dbraw/zinc/81/75/46/1030817546.db2.gz MCDFNVPVDDJRPD-INIZCTEOSA-N 0 0 357.454 2.753 20 10 FFCDRN COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(C)cc1C ZINC000796829842 1030928631 /nfs/dbraw/zinc/92/86/31/1030928631.db2.gz OQSVMTASSIBIEU-UHFFFAOYSA-N 0 0 369.465 2.941 20 10 FFCDRN CN(C)c1ccc(CN2CCOC[C@H]2c2nccc(N3CCCC3)n2)cc1 ZINC001203932040 1030992577 /nfs/dbraw/zinc/99/25/77/1030992577.db2.gz PBLWQHZNDZLVSP-IBGZPJMESA-N 0 0 367.497 2.716 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)CCOC[C@H]3CCCO3)C2)cc1 ZINC000842877180 1031009274 /nfs/dbraw/zinc/00/92/74/1031009274.db2.gz AFIIBAYXBZBKSP-QFBILLFUSA-N 0 0 363.454 2.650 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H](C)OC[C@@H]3CCCO3)C2)cc1 ZINC000842877368 1031010187 /nfs/dbraw/zinc/01/01/87/1031010187.db2.gz BXHCUAICZBMJGT-GJYPPUQNSA-N 0 0 363.454 2.649 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)C(C)(C)c3cnn(C)c3)C2)cc1 ZINC000842876759 1031010244 /nfs/dbraw/zinc/01/02/44/1031010244.db2.gz WRHQWLYOJOYYAT-OAHLLOKOSA-N 0 0 357.454 2.776 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@@H]3CC(=O)N(C(C)(C)C)C3)C2)cc1 ZINC000842879153 1031011881 /nfs/dbraw/zinc/01/18/81/1031011881.db2.gz RBTPTYIMLZQJBF-JKSUJKDBSA-N 0 0 374.481 2.712 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)CCNC(=O)C(C)(C)C)C2)cc1 ZINC000842882830 1031014790 /nfs/dbraw/zinc/01/47/90/1031014790.db2.gz ZGFZRIYHXYMRQO-HNNXBMFYSA-N 0 0 362.470 2.617 20 10 FFCDRN Cc1cc(OCC(=O)NCc2ccc3c(c2)CCCN3C)ccc1[N+](=O)[O-] ZINC000797441364 1031111576 /nfs/dbraw/zinc/11/15/76/1031111576.db2.gz CQQCGVHXJGLLMX-UHFFFAOYSA-N 0 0 369.421 2.981 20 10 FFCDRN Cn1cc(C(N)=O)cc1C(=O)Oc1ccc2c(c1)c1c(n2C)CCCC1 ZINC000843020353 1031130393 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/nfs/dbraw/zinc/84/05/54/1049840554.db2.gz DZNLBFCLVHYLTF-UHFFFAOYSA-N 0 0 352.312 2.752 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](O)c2cccc(Br)c2)c1O ZINC001294936297 1049843021 /nfs/dbraw/zinc/84/30/21/1049843021.db2.gz FEKRCEKNRLCHJJ-OAHLLOKOSA-N 0 0 366.211 2.513 20 10 FFCDRN Cc1n[nH]c(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000743432915 1050071774 /nfs/dbraw/zinc/07/17/74/1050071774.db2.gz VRHPFFJPPPJXPL-UHFFFAOYSA-N 0 0 356.338 2.768 20 10 FFCDRN CC[C@H](CO)c1nnc(N(C)Cc2ccc(N3CCCCC3)cc2)n1C ZINC001341505957 1050144854 /nfs/dbraw/zinc/14/48/54/1050144854.db2.gz YBAWOZDPFCOVAZ-QGZVFWFLSA-N 0 0 357.502 2.928 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CCc2cc(Cl)nnc2C1 ZINC001340026821 1050438308 /nfs/dbraw/zinc/43/83/08/1050438308.db2.gz UGUGJSIRFVTVGO-UHFFFAOYSA-N 0 0 362.846 2.738 20 10 FFCDRN CC(C)(C)C[C@@H](NC(=O)C(=O)NCc1c(O)cccc1F)C(F)(F)F ZINC001340192951 1050600854 /nfs/dbraw/zinc/60/08/54/1050600854.db2.gz JBYWGWDEXMUGOM-GFCCVEGCSA-N 0 0 364.339 2.631 20 10 FFCDRN C[C@H](NC(=O)C=Cc1ccc(O)c(O)c1)c1ccc(N2CCNC2=O)cc1 ZINC001299808461 1050610812 /nfs/dbraw/zinc/61/08/12/1050610812.db2.gz ZVUOHJWVVWFRFJ-YMSVAJCUSA-N 0 0 367.405 2.518 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)ccc21 ZINC000746813640 1050926890 /nfs/dbraw/zinc/92/68/90/1050926890.db2.gz WGYKDOMXNRWSLV-UHFFFAOYSA-N 0 0 369.377 2.636 20 10 FFCDRN C=CC(=O)NCc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000746804997 1050926929 /nfs/dbraw/zinc/92/69/29/1050926929.db2.gz CVYCUCSNGIWFNO-UHFFFAOYSA-N 0 0 355.413 2.624 20 10 FFCDRN CCO[C@H]1COCC[C@H]1Cc1nnc(N(C)Cc2ccccc2O)n1CC ZINC001340760114 1051113676 /nfs/dbraw/zinc/11/36/76/1051113676.db2.gz BEEAMLDTNTXMBY-YJBOKZPZSA-N 0 0 374.485 2.624 20 10 FFCDRN Cc1nc2c(c(=O)[nH]n2C)c(C)c1CCC(=O)N[C@H](C)c1ccccc1O ZINC001302532456 1051130355 /nfs/dbraw/zinc/13/03/55/1051130355.db2.gz DEHKVYKEMLXESO-CYBMUJFWSA-N 0 0 368.437 2.806 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)OC2(CCOCC2)C1 ZINC001340902334 1051231054 /nfs/dbraw/zinc/23/10/54/1051231054.db2.gz HLUFDGYILCOGSB-LBPRGKRZSA-N 0 0 364.471 2.506 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cccc4c3OCCO4)CC2)cc1 ZINC001340946653 1051278419 /nfs/dbraw/zinc/27/84/19/1051278419.db2.gz VMTDRNNLUIQHPE-UHFFFAOYSA-N 0 0 368.433 2.819 20 10 FFCDRN Cc1ccc(C2N=NC(=S)N2CCC(=O)NCc2ccccc2O)cc1 ZINC000748353030 1051379326 /nfs/dbraw/zinc/37/93/26/1051379326.db2.gz JBBYZHAKKFNZKO-UHFFFAOYSA-N 0 0 368.462 2.954 20 10 FFCDRN COc1cn(C)nc1[C@@H](C)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001304055033 1051517420 /nfs/dbraw/zinc/51/74/20/1051517420.db2.gz KEAXURNIUPREPC-CYBMUJFWSA-N 0 0 353.426 2.722 20 10 FFCDRN COC(=O)CCCONC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001304132152 1051550381 /nfs/dbraw/zinc/55/03/81/1051550381.db2.gz OKGSPHVVKXBBRJ-UHFFFAOYSA-N 0 0 372.421 2.830 20 10 FFCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCC[C@@H]1c1nncn1C ZINC001342940617 1051553122 /nfs/dbraw/zinc/55/31/22/1051553122.db2.gz GRIJRWOCSHXKMJ-GFCCVEGCSA-N 0 0 373.486 2.838 20 10 FFCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CC[C@]2(CCOC2=O)C1 ZINC001342943399 1051557419 /nfs/dbraw/zinc/55/74/19/1051557419.db2.gz SQUSXCGMOFCDPZ-KRWDZBQOSA-N 0 0 362.455 2.512 20 10 FFCDRN Cc1nccn1CCCCn1c(C)nnc1N(C)Cc1ccccc1O ZINC001304705695 1051673571 /nfs/dbraw/zinc/67/35/71/1051673571.db2.gz WLGNOISQZVPIGW-UHFFFAOYSA-N 0 0 354.458 2.914 20 10 FFCDRN Cc1cc(Br)cc([C@H](C)[NH2+]CCN2CCC(CO)CC2)c1O ZINC001343086488 1051703094 /nfs/dbraw/zinc/70/30/94/1051703094.db2.gz CZSWGMCSMIUDIQ-ZDUSSCGKSA-N 0 0 371.319 2.818 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(CCCCCO)n1C[C@H]1CCCO1 ZINC001343157195 1051780947 /nfs/dbraw/zinc/78/09/47/1051780947.db2.gz PLRKKZFGWYAWNH-QGZVFWFLSA-N 0 0 374.485 2.504 20 10 FFCDRN O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccc(Cl)c1O ZINC001305069727 1051794581 /nfs/dbraw/zinc/79/45/81/1051794581.db2.gz MKVBMLGGERHKRI-UHFFFAOYSA-N 0 0 372.808 2.738 20 10 FFCDRN CCc1nnc(N(C)Cc2ccccc2O)n1CCCOCC(F)F ZINC001306079913 1052006860 /nfs/dbraw/zinc/00/68/60/1052006860.db2.gz FLOWBGBMCIUAAX-UHFFFAOYSA-N 0 0 354.401 2.854 20 10 FFCDRN C[C@@]1(C(F)F)CN(c2nnc(C3SC=CC3=O)n2CC2CC2)CCO1 ZINC001345203354 1052317401 /nfs/dbraw/zinc/31/74/01/1052317401.db2.gz XJZMRECLOXHHIC-INIZCTEOSA-N 0 0 370.425 2.983 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCO[C@H](c3ccco3)C2)c([N+](=O)[O-])c1 ZINC000754021675 1052441150 /nfs/dbraw/zinc/44/11/50/1052441150.db2.gz PBGXLHWFDIMTRJ-WVRJYTFGSA-N 0 0 358.350 2.952 20 10 FFCDRN COc1cc(OC)cc(OCCC[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000754048391 1052445540 /nfs/dbraw/zinc/44/55/40/1052445540.db2.gz QKRCFVWOCNJBGK-UHFFFAOYSA-N 0 0 362.382 2.876 20 10 FFCDRN O=C(N[C@H]1CCC[C@@H]2C[C@@H]21)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001345435940 1052445981 /nfs/dbraw/zinc/44/59/81/1052445981.db2.gz DEMLAXKCCYDYNL-JLSDUUJJSA-N 0 0 368.433 2.819 20 10 FFCDRN Cc1cc2c(cc1[N+](=O)[O-])N(CCN1C(=O)c3ccccc3C1=O)CC2 ZINC000754109535 1052448020 /nfs/dbraw/zinc/44/80/20/1052448020.db2.gz MZMSQHPLUPFGIN-UHFFFAOYSA-N 0 0 351.362 2.562 20 10 FFCDRN CCCNC(=O)[C@H]1CN(Cc2cc(F)c(F)cc2O)c2ccccc2O1 ZINC001308707495 1052488929 /nfs/dbraw/zinc/48/89/29/1052488929.db2.gz UWZMQAVMPNUWOR-GOSISDBHSA-N 0 0 362.376 2.964 20 10 FFCDRN COc1cc(Cl)cc(CN2CCC(CN=S(C)(C)=O)CC2)c1O ZINC001308948008 1052524696 /nfs/dbraw/zinc/52/46/96/1052524696.db2.gz SSDOFGXPXIJFHT-UHFFFAOYSA-N 0 0 360.907 2.994 20 10 FFCDRN COCCCCN(C)c1nnc(C2SC=CC2=O)n1C[C@H]1CCOC1 ZINC001344470559 1052787632 /nfs/dbraw/zinc/78/76/32/1052787632.db2.gz QCRLHSKKLQPYRK-CYBMUJFWSA-N 0 0 366.487 2.612 20 10 FFCDRN CC[C@@H](C(=O)NCCCSc1nccs1)N1CCO[C@H](CC)C1 ZINC001542956217 1071346661 /nfs/dbraw/zinc/34/66/61/1071346661.db2.gz NWFQUXXPZJMCNM-KGLIPLIRSA-N 0 0 357.545 2.631 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CCC(F)(F)C2)cc1F ZINC001346629401 1053167348 /nfs/dbraw/zinc/16/73/48/1053167348.db2.gz CMUPHJZTTQUDDA-CYBMUJFWSA-N 0 0 371.403 2.592 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCCC(F)(F)C1 ZINC001346688137 1053222866 /nfs/dbraw/zinc/22/28/66/1053222866.db2.gz XWPRHTRLVAAVJF-HNNXBMFYSA-N 0 0 367.440 2.795 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3ccc(N)cc3)C2)cc1 ZINC001335568233 1053441130 /nfs/dbraw/zinc/44/11/30/1053441130.db2.gz JXBUYAMQAKPHKA-INIZCTEOSA-N 0 0 354.454 2.603 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC001347016412 1053538473 /nfs/dbraw/zinc/53/84/73/1053538473.db2.gz FJPWFJCSOHMOPC-PKOBYXMFSA-N 0 0 366.461 2.878 20 10 FFCDRN Cc1cc2cc(NC(=O)/C=C/c3ccc(O)c(O)c3)ccc2n(C)c1=O ZINC001347729708 1054263888 /nfs/dbraw/zinc/26/38/88/1054263888.db2.gz WRDRNRVEIAYCLK-XBXARRHUSA-N 0 0 350.374 2.910 20 10 FFCDRN CC(C)N(C[C@H](O)COc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC001337020116 1054414442 /nfs/dbraw/zinc/41/44/42/1054414442.db2.gz YDXOTHNZFZFPAN-SFHVURJKSA-N 0 0 357.454 2.629 20 10 FFCDRN COC(=O)CN(Cc1cc(Br)cc(OC)c1O)CC(C)C ZINC001337042451 1054434309 /nfs/dbraw/zinc/43/43/09/1054434309.db2.gz NHELFJOFQULWFH-UHFFFAOYSA-N 0 0 360.248 2.794 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ncc(Cl)s1 ZINC001348048342 1054592731 /nfs/dbraw/zinc/59/27/31/1054592731.db2.gz YIODNNRBQKHVLE-UHFFFAOYSA-N 0 0 373.812 2.841 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3cnn4cc(C)cnc34)C2)cc1 ZINC001348303618 1054618922 /nfs/dbraw/zinc/61/89/22/1054618922.db2.gz PZAHFCNMWNNHMT-HNNXBMFYSA-N 0 0 366.421 2.730 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCCc2cnn(C)c2)cc1 ZINC001348111078 1054660735 /nfs/dbraw/zinc/66/07/35/1054660735.db2.gz SDDULYQFCCSKSM-UHFFFAOYSA-N 0 0 364.449 2.542 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCCC[C@@H]2CO)cc1 ZINC001348111156 1054660865 /nfs/dbraw/zinc/66/08/65/1054660865.db2.gz SFGWYUVCWCKWKV-HXUWFJFHSA-N 0 0 354.450 2.823 20 10 FFCDRN Cn1nccc1C[C@@H]1CCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001348405552 1054677073 /nfs/dbraw/zinc/67/70/73/1054677073.db2.gz UCAIVHJPGOCMOC-FQEVSTJZSA-N 0 0 365.481 2.713 20 10 FFCDRN Cc1c[nH]c(=O)c(CNC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC001351647217 1054937547 /nfs/dbraw/zinc/93/75/47/1054937547.db2.gz ZDFOIOBNETUHIL-KRWDZBQOSA-N 0 0 371.437 2.692 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cc(C)ccn2)cc1 ZINC001337789174 1055017896 /nfs/dbraw/zinc/01/78/96/1055017896.db2.gz BANVRAGMTVALQN-UHFFFAOYSA-N 0 0 354.454 2.833 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc4c(cn3)OCCC4)C2)cc1 ZINC001348967963 1055025105 /nfs/dbraw/zinc/02/51/05/1055025105.db2.gz UUWMFVKSHWOJJH-HNNXBMFYSA-N 0 0 367.449 2.672 20 10 FFCDRN Cc1cc(CC(=O)N2CC[C@@H]3NC(=O)OC[C@H]3C2)c(C)n1-c1ccccc1 ZINC000847105191 1055070379 /nfs/dbraw/zinc/07/03/79/1055070379.db2.gz SWZXDGQUQPBMON-MJGOQNOKSA-N 0 0 367.449 2.594 20 10 FFCDRN CCc1nc(NC(=O)C(=O)NCc2cccc(Cl)c2O)sc1C ZINC001349360439 1055206533 /nfs/dbraw/zinc/20/65/33/1055206533.db2.gz TWUQVNXLEAAXCH-UHFFFAOYSA-N 0 0 353.831 2.628 20 10 FFCDRN COC(=O)[C@H](NCc1cc(C)cc(OC)c1O)[C@@H]1CCC[C@H](OC)C1 ZINC001338272982 1055378060 /nfs/dbraw/zinc/37/80/60/1055378060.db2.gz DCTYMAZHPMUMNR-UKPHBRMFSA-N 0 0 351.443 2.546 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1CCC2(CCCC2)O1 ZINC000847294852 1055407296 /nfs/dbraw/zinc/40/72/96/1055407296.db2.gz FPSZDZKBBZZGQE-IBGZPJMESA-N 0 0 373.497 2.814 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)/C(C)=C/c3ccco3)CC2)cc1 ZINC000847398867 1055699881 /nfs/dbraw/zinc/69/98/81/1055699881.db2.gz AZJSRDAQVSNKKI-WUKNDPDISA-N 0 0 369.465 2.630 20 10 FFCDRN CC(C)(C)OC(=O)C1(C(=O)NCc2cccc(O)c2O)CCSCC1 ZINC001352669855 1055702879 /nfs/dbraw/zinc/70/28/79/1055702879.db2.gz LQYMYWHYJAXJTM-UHFFFAOYSA-N 0 0 367.467 2.569 20 10 FFCDRN CN1CCN(c2ccc(C[NH+]3CCC(c4ccon4)CC3)cc2F)CC1 ZINC001350710326 1055905227 /nfs/dbraw/zinc/90/52/27/1055905227.db2.gz FZSZAEFTDWQMBV-UHFFFAOYSA-N 0 0 358.461 2.945 20 10 FFCDRN Nc1ccc(CNC(=O)NCc2cccc(COC[C@H]3CCCO3)c2)cc1 ZINC001357516553 1055929978 /nfs/dbraw/zinc/92/99/78/1055929978.db2.gz CUQCUNPKKALDOU-HXUWFJFHSA-N 0 0 369.465 2.964 20 10 FFCDRN CO[C@@H](C(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001352944122 1055960045 /nfs/dbraw/zinc/96/00/45/1055960045.db2.gz ISVUFYISBYXROF-QGZVFWFLSA-N 0 0 364.486 2.846 20 10 FFCDRN CCCn1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC001357790642 1056013696 /nfs/dbraw/zinc/01/36/96/1056013696.db2.gz FLKVPNRKVOEPKJ-UHFFFAOYSA-N 0 0 360.433 2.507 20 10 FFCDRN Cc1cccc(Cl)c1NC(=S)NCc1ccc(S(C)(=O)=O)cn1 ZINC001200200218 1056015532 /nfs/dbraw/zinc/01/55/32/1056015532.db2.gz LXLZNNXOVMFTCX-UHFFFAOYSA-N 0 0 369.899 2.934 20 10 FFCDRN O=C(NCc1cc(C2CC2)no1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001353113609 1056081327 /nfs/dbraw/zinc/08/13/27/1056081327.db2.gz MTOUACBVLKDOMM-UHFFFAOYSA-N 0 0 370.453 2.513 20 10 FFCDRN Cc1cc(CNC(=O)NCCNC(=O)C2CC2)c(C)n1-c1cccc(C)c1 ZINC001351313923 1056189376 /nfs/dbraw/zinc/18/93/76/1056189376.db2.gz FLZCDJYFFCAHRC-UHFFFAOYSA-N 0 0 368.481 2.728 20 10 FFCDRN CC(C)(CNC(=O)NCc1ccc(N2CCCC2)cc1)C(=O)N1CCCC1 ZINC001351331455 1056202926 /nfs/dbraw/zinc/20/29/26/1056202926.db2.gz USZDOMQDJOFGTC-UHFFFAOYSA-N 0 0 372.513 2.735 20 10 FFCDRN COCCn1c(Cc2ncccc2C)nnc1N(C)Cc1ccccc1O ZINC001358314120 1056245099 /nfs/dbraw/zinc/24/50/99/1056245099.db2.gz KLIQYTWHJINIMT-UHFFFAOYSA-N 0 0 367.453 2.561 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3ccn(C)n3)ccc21 ZINC001339349632 1056356987 /nfs/dbraw/zinc/35/69/87/1056356987.db2.gz HDFDFJDNWUPEFF-UHFFFAOYSA-N 0 0 354.454 2.910 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3ccc4c(c3)OCO4)C2)cc1 ZINC000849225355 1056802855 /nfs/dbraw/zinc/80/28/55/1056802855.db2.gz SLNHXAWITAHYDK-HNNXBMFYSA-N 0 0 369.421 2.502 20 10 FFCDRN COc1ccc(N2CC[C@@H](N3C(=O)N(C)C4(CCCCC4)C3=O)C2)cc1 ZINC000849357969 1056841466 /nfs/dbraw/zinc/84/14/66/1056841466.db2.gz RCRGWAPKNXGXMA-MRXNPFEDSA-N 0 0 357.454 2.871 20 10 FFCDRN CC(C)[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1nc(-c2ccncc2)no1 ZINC001442858296 1058168729 /nfs/dbraw/zinc/16/87/29/1058168729.db2.gz FUXGGGDDBLQGNZ-KRWDZBQOSA-N 0 0 368.393 2.599 20 10 FFCDRN CCc1nnc(N(C)C[C@H]2CCCO2)n1Cc1ccc(N(C)C)cc1C ZINC001498737264 1058171080 /nfs/dbraw/zinc/17/10/80/1058171080.db2.gz BEKGTUHDNGOHOH-GOSISDBHSA-N 0 0 357.502 2.878 20 10 FFCDRN COc1cccc(CNC(=S)N2CCc3cccc(O)c3C2)c1OC ZINC001200521219 1058452005 /nfs/dbraw/zinc/45/20/05/1058452005.db2.gz QGCMINGODNGJLE-UHFFFAOYSA-N 0 0 358.463 2.842 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(Cn2cc(Cl)cn2)cc1 ZINC001445904061 1058454390 /nfs/dbraw/zinc/45/43/90/1058454390.db2.gz VNKOBXIBEYFXFT-UHFFFAOYSA-N 0 0 357.797 2.926 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C\c3ccc(C=O)cc3)CC2)cc1 ZINC001545556726 1071799637 /nfs/dbraw/zinc/79/96/37/1071799637.db2.gz WEJXPJFPNSBQAE-WDZFZDKYSA-N 0 0 350.418 2.870 20 10 FFCDRN CC(C)c1oncc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC001519512354 1058794464 /nfs/dbraw/zinc/79/44/64/1058794464.db2.gz HWRCCCQBBNZFPE-UHFFFAOYSA-N 0 0 357.454 2.937 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC/C=C\c1ccccc1 ZINC001354509021 1059088418 /nfs/dbraw/zinc/08/84/18/1059088418.db2.gz ICJHGNCVOMKOMV-YFHOEESVSA-N 0 0 351.450 2.507 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2nnc(C[C@@H](C)SC)n2C)cc1 ZINC001519839542 1059122105 /nfs/dbraw/zinc/12/21/05/1059122105.db2.gz LVHLJCSLUVSDGX-CQSZACIVSA-N 0 0 363.531 2.690 20 10 FFCDRN Cc1c(C(=O)NCc2ccc(O)cc2O)cnn1-c1ccc(F)cc1F ZINC001451772399 1059144988 /nfs/dbraw/zinc/14/49/88/1059144988.db2.gz VPVMPCQDNAJBRA-UHFFFAOYSA-N 0 0 359.332 2.800 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)COc1ccc(CC)cc1 ZINC001451898399 1059161405 /nfs/dbraw/zinc/16/14/05/1059161405.db2.gz BFNLISJVJSOSPB-UHFFFAOYSA-N 0 0 371.433 2.925 20 10 FFCDRN CC(=O)N1c2ccccc2C[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC001451946074 1059168758 /nfs/dbraw/zinc/16/87/58/1059168758.db2.gz BXZRMUQAMMNWNS-SFHVURJKSA-N 0 0 361.401 2.534 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC001451955477 1059169202 /nfs/dbraw/zinc/16/92/02/1059169202.db2.gz QEIYIVSURNCCQF-IAGOWNOFSA-N 0 0 362.385 2.861 20 10 FFCDRN Cc1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)S3(=O)=O)c(C)n1-c1ccccn1 ZINC001520021406 1059314653 /nfs/dbraw/zinc/31/46/53/1059314653.db2.gz FMEVSGCOWUCRCB-MQVJKMGUSA-N 0 0 374.462 2.754 20 10 FFCDRN Cn1c(C=O)c(Br)cc1C(=O)NCc1cc(Cl)ccc1O ZINC001452947657 1059317807 /nfs/dbraw/zinc/31/78/07/1059317807.db2.gz 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FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc3c(=O)cc[nH]c3c2)cc1 ZINC001478781843 1062113081 /nfs/dbraw/zinc/11/30/81/1062113081.db2.gz XICDLUBLSTVRJA-UHFFFAOYSA-N 0 0 364.449 2.936 20 10 FFCDRN Cc1cc(CNC(=O)N(C[C@H](C)O)[C@H](C)CO)c(C)n1-c1cccc(C)c1 ZINC001479099780 1062225254 /nfs/dbraw/zinc/22/52/54/1062225254.db2.gz OWZCDZFWNDYIHA-SJORKVTESA-N 0 0 373.497 2.676 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1O ZINC001464268119 1062514568 /nfs/dbraw/zinc/51/45/68/1062514568.db2.gz AIHFGLNZLJHVHW-SECBINFHSA-N 0 0 356.787 2.993 20 10 FFCDRN CS(C)(=O)=Nc1ccc(NC(=O)C2=S=CC(Br)=C2)cc1 ZINC001523662861 1062567544 /nfs/dbraw/zinc/56/75/44/1062567544.db2.gz NVCSEZZLETWLCA-UHFFFAOYSA-N 0 0 373.297 2.984 20 10 FFCDRN Cn1[nH]c(-c2ccccc2)c2c(NC(=O)Cc3ccc(O)c(O)c3)nnc1-2 ZINC001465029634 1062951031 /nfs/dbraw/zinc/95/10/31/1062951031.db2.gz DNPWEFCMIRCPTN-UHFFFAOYSA-N 0 0 363.377 2.556 20 10 FFCDRN CCN1CCOC[C@@H]1C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001524937346 1063059883 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CN(C)c1ccc(CNC(=O)N2CCC[C@@]2(CO)c2ccccc2)cc1 ZINC001467968346 1063896592 /nfs/dbraw/zinc/89/65/92/1063896592.db2.gz MGGPYWKKZQNCHW-OAQYLSRUSA-N 0 0 353.466 2.946 20 10 FFCDRN COC1(C(F)(F)F)CN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC001467993293 1063901398 /nfs/dbraw/zinc/90/13/98/1063901398.db2.gz GQDIVNQKRQFEIV-UHFFFAOYSA-N 0 0 357.376 2.760 20 10 FFCDRN CC(C)(C)CC[C@@H](CO)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001468239524 1063949554 /nfs/dbraw/zinc/94/95/54/1063949554.db2.gz BCSCCDPIUJKDOB-KRWDZBQOSA-N 0 0 363.502 2.510 20 10 FFCDRN O=C(NCc1n[nH]cc1Br)NCc1cc(Cl)ccc1O ZINC001468902847 1064056332 /nfs/dbraw/zinc/05/63/32/1064056332.db2.gz OTWHDDWYBCRQMU-UHFFFAOYSA-N 0 0 359.611 2.531 20 10 FFCDRN C[C@@H](NC(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1O ZINC001468983582 1064070388 /nfs/dbraw/zinc/07/03/88/1064070388.db2.gz JMLBQJSIOYZDIU-LLVKDONJSA-N 0 0 355.373 2.877 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC001469103453 1064092056 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O=C(Cc1ccc(O)c(O)c1)NC1CN(c2ccc(C(F)(F)F)cc2)C1 ZINC001471942456 1064862677 /nfs/dbraw/zinc/86/26/77/1064862677.db2.gz RVUOKPZOJUXCAG-UHFFFAOYSA-N 0 0 366.339 2.664 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1c(Cl)nc2cc(Cl)ccn21 ZINC001472063923 1064915378 /nfs/dbraw/zinc/91/53/78/1064915378.db2.gz SWYBTJRAOXOLOG-UHFFFAOYSA-N 0 0 352.177 2.982 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)/C=C/C(=O)OC)ccc21 ZINC001472399557 1065045532 /nfs/dbraw/zinc/04/55/32/1065045532.db2.gz PSNXRGSMOIPECG-YSKGHYERSA-N 0 0 358.438 2.752 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC(Cc3noc(C)n3)CC2)cc1OC ZINC001472883603 1065167170 /nfs/dbraw/zinc/16/71/70/1065167170.db2.gz ALSMLCFUCWAFMI-UHFFFAOYSA-N 0 0 362.386 2.763 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H](CO)Cc1ccc(O)cc1 ZINC001474437959 1065522470 /nfs/dbraw/zinc/52/24/70/1065522470.db2.gz AJXQSONYJRNEBE-CYBMUJFWSA-N 0 0 370.218 2.693 20 10 FFCDRN O=S1(=O)C[C@@H](NCc2c(O)cccc2Br)c2ccccc21 ZINC001474502423 1065536829 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C[C@H](Nc1ncc(C(N)=O)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000068463408 507240862 /nfs/dbraw/zinc/24/08/62/507240862.db2.gz IWONDIFPNXPAKV-LBPRGKRZSA-N 0 0 360.845 2.844 20 10 FFCDRN CCOC(=O)N[C@H](CNC(=O)N(C)Cc1ccccc1O)CC(C)C ZINC000047056216 507258047 /nfs/dbraw/zinc/25/80/47/507258047.db2.gz UOPYXVGWZNBMRR-HNNXBMFYSA-N 0 0 351.447 2.694 20 10 FFCDRN CC(C)C(=O)N1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000069282221 507456433 /nfs/dbraw/zinc/45/64/33/507456433.db2.gz CKCCTDSEWCVXAE-UHFFFAOYSA-N 0 0 372.513 2.687 20 10 FFCDRN COc1ccc(N2CCN([C@@H](C)c3nc4ccccc4c(=O)[nH]3)CC2)cc1 ZINC000049636410 507626561 /nfs/dbraw/zinc/62/65/61/507626561.db2.gz NHHGCTLNGSNBQJ-HNNXBMFYSA-N 0 0 364.449 2.815 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNc3cn[nH]c(=O)c3Cl)cc2F)C[C@@H](C)O1 ZINC000052457166 507809675 /nfs/dbraw/zinc/80/96/75/507809675.db2.gz DRJZUSQYFFPZJX-GHMZBOCLSA-N 0 0 366.824 2.788 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1nncn1C ZINC000108443879 507894452 /nfs/dbraw/zinc/89/44/52/507894452.db2.gz 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359.407 2.986 20 10 FFCDRN O=C(NCCc1ccncc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000268603903 510031320 /nfs/dbraw/zinc/03/13/20/510031320.db2.gz HEKQPGSNKWHXLU-SFHVURJKSA-N 0 0 355.438 2.721 20 10 FFCDRN O=C(CCc1cscn1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000171260485 510041305 /nfs/dbraw/zinc/04/13/05/510041305.db2.gz FSTZURWJBUDMDW-UHFFFAOYSA-N 0 0 359.495 2.601 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCc1cccc(C(N)=O)c1 ZINC000265439006 510054417 /nfs/dbraw/zinc/05/44/17/510054417.db2.gz PIYGKVHTAACXAQ-UHFFFAOYSA-N 0 0 368.481 2.972 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccc(-n3ccnc3)c(F)c2)c1O ZINC000174335010 510065835 /nfs/dbraw/zinc/06/58/35/510065835.db2.gz JJZUXDABYJEYOI-UHFFFAOYSA-N 0 0 370.384 2.725 20 10 FFCDRN CSC(C)(C)CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000174354480 510074388 /nfs/dbraw/zinc/07/43/88/510074388.db2.gz YYRUUDLQGZJQFW-UHFFFAOYSA-N 0 0 369.506 2.728 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(CCSC)cc2)c1O ZINC000265526791 510100514 /nfs/dbraw/zinc/10/05/14/510100514.db2.gz 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O=C(NCCc1ccc(O)c(O)c1)[C@H](c1ccccc1)N1CCSCC1 ZINC000269216073 510295412 /nfs/dbraw/zinc/29/54/12/510295412.db2.gz PQOXLBVEKYJYFH-IBGZPJMESA-N 0 0 372.490 2.547 20 10 FFCDRN Nc1ccc(CC(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)cc1 ZINC000269258889 510313285 /nfs/dbraw/zinc/31/32/85/510313285.db2.gz LKCNEHNAFRERHT-UHFFFAOYSA-N 0 0 371.456 2.610 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000265944202 510315868 /nfs/dbraw/zinc/31/58/68/510315868.db2.gz LYUBOVPASTXAJF-QGZVFWFLSA-N 0 0 351.454 2.875 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(Cc1ccccc1)[C@H](CO)C1CC1 ZINC000181308501 510348905 /nfs/dbraw/zinc/34/89/05/510348905.db2.gz OKDRYJREEJVQOC-JGZYNSJSSA-N 0 0 353.418 2.911 20 10 FFCDRN COc1ccc(N2CCN(CCNc3nnc(C(F)F)s3)CC2)cc1 ZINC000269365083 510362825 /nfs/dbraw/zinc/36/28/25/510362825.db2.gz NTOMYMWYKKCDIZ-UHFFFAOYSA-N 0 0 369.441 2.718 20 10 FFCDRN Cc1c(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1C ZINC000266350174 510532084 /nfs/dbraw/zinc/53/20/84/510532084.db2.gz 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ZINC000266631789 510698630 /nfs/dbraw/zinc/69/86/30/510698630.db2.gz WYNCMARCYKJZCK-XNJGSVPQSA-N 0 0 352.475 2.951 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CN1CCCC1=O ZINC000266681736 510727312 /nfs/dbraw/zinc/72/73/12/510727312.db2.gz CRKTVDJLKRXJRB-MRXNPFEDSA-N 0 0 360.502 2.684 20 10 FFCDRN CC(=O)NC1CCC(NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC000263669928 510779759 /nfs/dbraw/zinc/77/97/59/510779759.db2.gz IGHKHJPRHQSCBY-UHFFFAOYSA-N 0 0 372.513 2.874 20 10 FFCDRN Cc1nn(C)cc1[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000172599463 510813486 /nfs/dbraw/zinc/81/34/86/510813486.db2.gz WKXJQTKZHGWCRB-YOEHRIQHSA-N 0 0 372.469 2.886 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000191779559 510827322 /nfs/dbraw/zinc/82/73/22/510827322.db2.gz BOHRJYAZCHFFLY-UHFFFAOYSA-N 0 0 370.428 2.816 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)Nc3ccccc3F)cc2)CC1 ZINC000191785653 510829032 /nfs/dbraw/zinc/82/90/32/510829032.db2.gz VCDJRGDIXDOMMI-UHFFFAOYSA-N 0 0 370.428 2.816 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CC(C)(C)[C@H]2c2nccn2C)cc1F ZINC000297258809 510876471 /nfs/dbraw/zinc/87/64/71/510876471.db2.gz OZGNBUQLBXQHRN-MRXNPFEDSA-N 0 0 359.449 2.918 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[S@](=O)C[C@@H](C)C2)cc1F ZINC000297272932 510881899 /nfs/dbraw/zinc/88/18/99/510881899.db2.gz OZOPGJXSOVAJSX-SXBQZSJRSA-N 0 0 369.506 2.582 20 10 FFCDRN COc1cc2c(cc1OC)CCN(C(=O)c1ccc(C)c(O)c1O)CC2 ZINC000360335944 510898694 /nfs/dbraw/zinc/89/86/94/510898694.db2.gz OLFNFMHAJTVNEI-UHFFFAOYSA-N 0 0 357.406 2.664 20 10 FFCDRN COc1ccc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c(C)c1 ZINC000275536847 510905781 /nfs/dbraw/zinc/90/57/81/510905781.db2.gz SOVYYXDMICGZLA-UHFFFAOYSA-N 0 0 367.449 2.924 20 10 FFCDRN COc1ccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000275733423 510912307 /nfs/dbraw/zinc/91/23/07/510912307.db2.gz PLBAAVCPYRFGPR-UHFFFAOYSA-N 0 0 370.453 2.532 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ncc([N+](=O)[O-])cc3C)cc2)CC1 ZINC000276246227 510930100 /nfs/dbraw/zinc/93/01/00/510930100.db2.gz CWCHLADUTBOYLP-UHFFFAOYSA-N 0 0 369.425 2.579 20 10 FFCDRN COc1ccc(N(Cc2nnc(S(C)(=O)=O)s2)[C@H](C)C2CC2)cc1 ZINC000276259806 510932402 /nfs/dbraw/zinc/93/24/02/510932402.db2.gz ATLZSUKFJRPSMT-LLVKDONJSA-N 0 0 367.496 2.755 20 10 FFCDRN CCN(C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1)CC(F)(F)F ZINC000276512718 510940160 /nfs/dbraw/zinc/94/01/60/510940160.db2.gz FCSDZTXXESTWID-JTQLQIEISA-N 0 0 364.339 2.583 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NC1CCN(c2cccnn2)CC1 ZINC000277045371 510953373 /nfs/dbraw/zinc/95/33/73/510953373.db2.gz HGMHUBOAJIETJW-UHFFFAOYSA-N 0 0 369.469 2.773 20 10 FFCDRN COc1cccc(CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)c1O ZINC000277082139 510953495 /nfs/dbraw/zinc/95/34/95/510953495.db2.gz CMDHAQVVJUUNMS-KSSFIOAISA-N 0 0 359.426 2.572 20 10 FFCDRN CN1C(=O)N(Cc2ccc(N3CCOCC3)cc2)C(=O)[C@@H]1c1ccccc1 ZINC000277202809 510957125 /nfs/dbraw/zinc/95/71/25/510957125.db2.gz DVOQBXVGARUWBE-IBGZPJMESA-N 0 0 365.433 2.659 20 10 FFCDRN Cc1nnc([C@H](C)NC(=O)NCc2cccc(Br)c2O)s1 ZINC000277293154 510960955 /nfs/dbraw/zinc/96/09/55/510960955.db2.gz BNVWSAPZYBLXLH-ZETCQYMHSA-N 0 0 371.260 2.875 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)NOCCC(F)(F)F ZINC000277396670 510962087 /nfs/dbraw/zinc/96/20/87/510962087.db2.gz JMXSVQDCNBJTFQ-UHFFFAOYSA-N 0 0 357.126 2.838 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000277587195 510967278 /nfs/dbraw/zinc/96/72/78/510967278.db2.gz CUQHCOKZWXSILH-VQHVLOKHSA-N 0 0 367.445 2.955 20 10 FFCDRN COc1c(O)c(CN(C)CC(=O)Nc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000278221038 510985339 /nfs/dbraw/zinc/98/53/39/510985339.db2.gz LJPPUJGBIYVKEW-UHFFFAOYSA-N 0 0 373.409 2.996 20 10 FFCDRN COc1c(O)c(CN(C)Cc2c(C)nc3sccn23)ccc1[N+](=O)[O-] ZINC000278238613 510986561 /nfs/dbraw/zinc/98/65/61/510986561.db2.gz NOFVZDXZDHNATO-UHFFFAOYSA-N 0 0 362.411 2.959 20 10 FFCDRN C[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(F)cc1O ZINC000278506287 510995712 /nfs/dbraw/zinc/99/57/12/510995712.db2.gz RANIANCRJNZCKK-GFCCVEGCSA-N 0 0 356.405 2.877 20 10 FFCDRN C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1cc(F)ccc1O ZINC000278510166 510996116 /nfs/dbraw/zinc/99/61/16/510996116.db2.gz RJWBWNBPKLTAHS-LBPRGKRZSA-N 0 0 356.405 2.877 20 10 FFCDRN Cc1cnccc1OC1CCN(C(=O)/C=C/c2ccc(O)c(O)c2)CC1 ZINC000278539161 510996678 /nfs/dbraw/zinc/99/66/78/510996678.db2.gz IJJOZQVATKNVEH-HWKANZROSA-N 0 0 354.406 2.884 20 10 FFCDRN CCC[C@@H](C)C(=O)NCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000294229618 510998859 /nfs/dbraw/zinc/99/88/59/510998859.db2.gz YYRRVQMHLXFRHF-CQSZACIVSA-N 0 0 356.470 2.771 20 10 FFCDRN C[C@@H](Sc1ccccc1C(=O)NCc1ccc(N(C)C)cc1)C(N)=O ZINC000282514993 511008387 /nfs/dbraw/zinc/00/83/87/511008387.db2.gz GCPGOBATRJFWRG-CYBMUJFWSA-N 0 0 357.479 2.649 20 10 FFCDRN CC(=O)N(C)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000278913779 511012999 /nfs/dbraw/zinc/01/29/99/511012999.db2.gz CIMXTEWVEPXCQG-UHFFFAOYSA-N 0 0 353.422 2.775 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3sc4nccn4c3C)CC2)cc1F ZINC000270879945 511013904 /nfs/dbraw/zinc/01/39/04/511013904.db2.gz LDZKBCAXKMACEX-UHFFFAOYSA-N 0 0 374.441 2.814 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)Nc3ccncn3)cc2F)C[C@H](C)O1 ZINC000279130395 511019704 /nfs/dbraw/zinc/01/97/04/511019704.db2.gz WZCXKZLLRGZIGQ-STQMWFEESA-N 0 0 359.405 2.551 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)Nc1cc2n(n1)CCCC2 ZINC000286224965 511020867 /nfs/dbraw/zinc/02/08/67/511020867.db2.gz NMUJYRQNDAPWLX-RMKNXTFCSA-N 0 0 352.438 2.708 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@H](C(F)(F)F)[C@H](CO)C2)cc1OC ZINC000286510785 511027459 /nfs/dbraw/zinc/02/74/59/511027459.db2.gz YXXARYTVZYEFAG-UWVGGRQHSA-N 0 0 364.320 2.609 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)N[C@H]1CCO[C@@H]1c1cccnc1 ZINC000287123030 511040929 /nfs/dbraw/zinc/04/09/29/511040929.db2.gz XCQKJNDOQKAZHS-AZUAARDMSA-N 0 0 367.449 2.995 20 10 FFCDRN CCNC(=O)C[C@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287453148 511049395 /nfs/dbraw/zinc/04/93/95/511049395.db2.gz GPWJFIJLRPUPFS-LJQANCHMSA-N 0 0 372.513 2.877 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cn(CCOC)c(C)cc1=O ZINC000287478546 511050654 /nfs/dbraw/zinc/05/06/54/511050654.db2.gz RUTOYXMSBZVBQC-UHFFFAOYSA-N 0 0 358.438 2.561 20 10 FFCDRN CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1ccc(F)cc1[O-] ZINC000287507361 511051700 /nfs/dbraw/zinc/05/17/00/511051700.db2.gz NZNSNFUTAMJPSH-QGZVFWFLSA-N 0 0 367.442 2.538 20 10 FFCDRN Cc1nnc([C@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)[nH]1 ZINC000287622577 511054121 /nfs/dbraw/zinc/05/41/21/511054121.db2.gz IMZUZZMJMXMNPB-AWEZNQCLSA-N 0 0 356.474 2.910 20 10 FFCDRN CCC[C@H](OC)C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000294408164 511055040 /nfs/dbraw/zinc/05/50/40/511055040.db2.gz JPJVPTRJSMKFLG-INIZCTEOSA-N 0 0 374.403 2.973 20 10 FFCDRN Oc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000282654787 511062349 /nfs/dbraw/zinc/06/23/49/511062349.db2.gz IEBHLCMOBMBCAF-LRDDRELGSA-N 0 0 370.287 2.812 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CCCN(C(N)=O)C1 ZINC000288023243 511062373 /nfs/dbraw/zinc/06/23/73/511062373.db2.gz CTYJMXQNVXRQFX-AWEZNQCLSA-N 0 0 360.483 2.676 20 10 FFCDRN CC(C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271038596 511065014 /nfs/dbraw/zinc/06/50/14/511065014.db2.gz HDVSAQSYPKXKBF-UHFFFAOYSA-N 0 0 355.822 2.690 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N(C)Cc2cccc(F)c2)cc1 ZINC000297809606 511074707 /nfs/dbraw/zinc/07/47/07/511074707.db2.gz JQFKTAYKUWOKGZ-UHFFFAOYSA-N 0 0 357.429 2.509 20 10 FFCDRN O=S(=O)(CC[NH2+]Cc1cccc(Cl)c1[O-])CCc1ccccc1 ZINC000282691238 511075160 /nfs/dbraw/zinc/07/51/60/511075160.db2.gz IZHSVRMCJFXNGV-UHFFFAOYSA-N 0 0 353.871 2.793 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](c1nncn1C)C(C)C ZINC000288617630 511081736 /nfs/dbraw/zinc/08/17/36/511081736.db2.gz ZZFVDIYMCPKSFA-KRWDZBQOSA-N 0 0 358.490 2.810 20 10 FFCDRN Cc1ccc(CN(C)C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000297858031 511090570 /nfs/dbraw/zinc/09/05/70/511090570.db2.gz MVROVNPAYINYES-UHFFFAOYSA-N 0 0 353.466 2.678 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1nc(-c2cccc(F)c2)no1 ZINC000364817776 511096986 /nfs/dbraw/zinc/09/69/86/511096986.db2.gz VKCANNWFXCZCIH-FNORWQNLSA-N 0 0 355.325 2.617 20 10 FFCDRN CO[C@H]1COCC[C@@H]1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000294542893 511098687 /nfs/dbraw/zinc/09/86/87/511098687.db2.gz ICMFBNYZHCUKRX-QUCCMNQESA-N 0 0 360.498 2.981 20 10 FFCDRN OCCOC1(C[NH2+]Cc2cc(-c3ccccc3)ccc2O)CCOCC1 ZINC000282800590 511115932 /nfs/dbraw/zinc/11/59/32/511115932.db2.gz XCFYBCKLESYLRO-UHFFFAOYSA-N 0 0 357.450 2.707 20 10 FFCDRN Cn1cc2c(n1)CCC[C@H]2NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000282813472 511120956 /nfs/dbraw/zinc/12/09/56/511120956.db2.gz RALHMWJBQSDZBI-GOSISDBHSA-N 0 0 351.454 2.673 20 10 FFCDRN CCc1nnc(CN[C@@H](C)c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000290021011 511125943 /nfs/dbraw/zinc/12/59/43/511125943.db2.gz CIDNCVRUGQZNRD-LBPRGKRZSA-N 0 0 350.463 2.927 20 10 FFCDRN C[C@@H](O)C[C@@H]1CCCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000279624196 511150496 /nfs/dbraw/zinc/15/04/96/511150496.db2.gz HZOLIXMEFFDNMN-FIOCOWKDSA-N 0 0 358.482 2.688 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](O)c1ccccc1 ZINC000290890377 511152896 /nfs/dbraw/zinc/15/28/96/511152896.db2.gz BPQBJGKMDVRLFE-OXQOHEQNSA-N 0 0 351.450 2.984 20 10 FFCDRN COC(=O)c1cc(C[NH2+]Cc2cccc(Br)c2[O-])n(C)c1C ZINC000291017925 511157045 /nfs/dbraw/zinc/15/70/45/511157045.db2.gz GHOYIVQOIQIMJC-UHFFFAOYSA-N 0 0 367.243 2.878 20 10 FFCDRN COCCOC1CCC(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000279640549 511157594 /nfs/dbraw/zinc/15/75/94/511157594.db2.gz CVXQWIANAJPDRQ-UHFFFAOYSA-N 0 0 360.498 2.907 20 10 FFCDRN Cc1cc(Cl)cnc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000291216997 511163256 /nfs/dbraw/zinc/16/32/56/511163256.db2.gz BUUIPDJFXGIPJD-UHFFFAOYSA-N 0 0 373.840 2.883 20 10 FFCDRN Cc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)nnn1CC1CCCC1 ZINC000279658988 511164832 /nfs/dbraw/zinc/16/48/32/511164832.db2.gz FJLNVBXKBYPMON-LBPRGKRZSA-N 0 0 358.442 2.549 20 10 FFCDRN CCn1c(CNC(=O)c2cccs2)nnc1N(C)Cc1ccccc1O ZINC000291359282 511165107 /nfs/dbraw/zinc/16/51/07/511165107.db2.gz UHZFGWDHSLZZIT-UHFFFAOYSA-N 0 0 371.466 2.632 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc2c([nH]1)CCCC2 ZINC000294783087 511176591 /nfs/dbraw/zinc/17/65/91/511176591.db2.gz GWDOTRHAZVFEGX-UHFFFAOYSA-N 0 0 371.456 2.924 20 10 FFCDRN CC[C@@H](C)[C@@H]1CCCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271399591 511191365 /nfs/dbraw/zinc/19/13/65/511191365.db2.gz NJDSMVSHFRDMMS-DOMZBBRYSA-N 0 0 354.472 2.805 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2cc(F)ccc2OC)SC1=S ZINC000291481265 511214201 /nfs/dbraw/zinc/21/42/01/511214201.db2.gz HQGBZROQECYDIE-LCYFTJDESA-N 0 0 369.439 2.989 20 10 FFCDRN COC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)[C@H]1CCCO1 ZINC000279787987 511215267 /nfs/dbraw/zinc/21/52/67/511215267.db2.gz VDHNBCHJCVLONE-RTBURBONSA-N 0 0 363.502 2.867 20 10 FFCDRN COCCOC[C@@H](O)CN(Cc1cccs1)c1ccc(OC)cc1 ZINC000294970742 511239521 /nfs/dbraw/zinc/23/95/21/511239521.db2.gz OGZCOYSNFZDWLD-INIZCTEOSA-N 0 0 351.468 2.787 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCc3cnn(C(C)C)c3C2)c1 ZINC000365070445 511240897 /nfs/dbraw/zinc/24/08/97/511240897.db2.gz YKYQUCLTZCEZLB-HNNXBMFYSA-N 0 0 358.442 2.535 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2c(Br)cnn2C)cc1 ZINC000294993554 511246338 /nfs/dbraw/zinc/24/63/38/511246338.db2.gz ZIBYCAUTHQYYFK-UHFFFAOYSA-N 0 0 365.275 2.959 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000283133089 511249120 /nfs/dbraw/zinc/24/91/20/511249120.db2.gz GTJVMVDCBPJSEX-AHIWAGSCSA-N 0 0 350.415 2.519 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)CCNC(=O)c2ccco2)C2CC2)cc1 ZINC000298399695 511271074 /nfs/dbraw/zinc/27/10/74/511271074.db2.gz SZNOSIAATICTIL-UHFFFAOYSA-N 0 0 355.438 2.657 20 10 FFCDRN CC1(C)CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)[C@@H]1[C@H]1CCCO1 ZINC000291666649 511288739 /nfs/dbraw/zinc/28/87/39/511288739.db2.gz QVMPWGVBNLKSKL-YRRZFLOVSA-N 0 0 370.493 2.952 20 10 FFCDRN C[C@@H]1C(=O)CC[C@H]1CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000280000299 511297670 /nfs/dbraw/zinc/29/76/70/511297670.db2.gz DFTFJQOYOXEDEX-YJBOKZPZSA-N 0 0 358.482 2.517 20 10 FFCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccnn2C(C)C)s1 ZINC000295162625 511305715 /nfs/dbraw/zinc/30/57/15/511305715.db2.gz HEEZVUQEAGQMTD-VIFPVBQESA-N 0 0 354.457 2.826 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nccc2c1C(=O)OC2(C)C ZINC000363031494 511308980 /nfs/dbraw/zinc/30/89/80/511308980.db2.gz JGQBKEWAGHDLEQ-UHFFFAOYSA-N 0 0 367.449 2.960 20 10 FFCDRN CC(C)(CCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1)[N+](=O)[O-] ZINC000295254495 511338966 /nfs/dbraw/zinc/33/89/66/511338966.db2.gz NAWMEHKNYKGVBD-OAHLLOKOSA-N 0 0 350.415 2.735 20 10 FFCDRN CC(C)(CCC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)[N+](=O)[O-] ZINC000295254493 511339134 /nfs/dbraw/zinc/33/91/34/511339134.db2.gz NAWMEHKNYKGVBD-HNNXBMFYSA-N 0 0 350.415 2.735 20 10 FFCDRN CC[C@H]1CCC[C@H]1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000295262919 511340855 /nfs/dbraw/zinc/34/08/55/511340855.db2.gz YIEFTEKHTQUNAT-AZUAARDMSA-N 0 0 357.498 2.798 20 10 FFCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)s1 ZINC000295260252 511341095 /nfs/dbraw/zinc/34/10/95/511341095.db2.gz ILGSCYPSPYUMEZ-QMMMGPOBSA-N 0 0 366.420 2.778 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1C[C@H]1CCOC1 ZINC000291804798 511345601 /nfs/dbraw/zinc/34/56/01/511345601.db2.gz LGQLIQBTCKVUAW-OAHLLOKOSA-N 0 0 365.437 2.719 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)NCCc2ccccc2C)s1 ZINC000295304594 511355806 /nfs/dbraw/zinc/35/58/06/511355806.db2.gz MOFFNVSOIBCKNP-UHFFFAOYSA-N 0 0 350.465 2.689 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1cnc(C)s1 ZINC000298654445 511363185 /nfs/dbraw/zinc/36/31/85/511363185.db2.gz LOICSYJMXUYTTG-UHFFFAOYSA-N 0 0 361.467 2.554 20 10 FFCDRN CCCCOCCCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000298663329 511367117 /nfs/dbraw/zinc/36/71/17/511367117.db2.gz QLLXBDLPGUDGLB-UHFFFAOYSA-N 0 0 363.502 2.871 20 10 FFCDRN C[C@H]1OCC[C@]12CN(C(=O)NCc1ccc(N3CCCC3)cc1)C[C@@H](C)O2 ZINC000280233507 511385321 /nfs/dbraw/zinc/38/53/21/511385321.db2.gz XTZFOIROFPVPSU-LZJOCLMNSA-N 0 0 373.497 2.765 20 10 FFCDRN C[C@@H](O)c1ncc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)s1 ZINC000283555367 511413741 /nfs/dbraw/zinc/41/37/41/511413741.db2.gz VJMFLAWJARESBU-TZMCWYRMSA-N 0 0 362.451 2.723 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@H]2CCCN(C(C)=O)C2)cc1 ZINC000280339994 511428500 /nfs/dbraw/zinc/42/85/00/511428500.db2.gz SHWCFXPWSJEKHF-SFHVURJKSA-N 0 0 360.502 2.591 20 10 FFCDRN COc1ccc(CNC(=O)N(C)Cc2ccccc2O)c(OC)c1OC ZINC000298906950 511449353 /nfs/dbraw/zinc/44/93/53/511449353.db2.gz CNFOCYLJJVJKNZ-UHFFFAOYSA-N 0 0 360.410 2.760 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)N3CCSCC3)cc2F)C[C@H](C)O1 ZINC000298913327 511450824 /nfs/dbraw/zinc/45/08/24/511450824.db2.gz DURLMFXWFVTSLC-KBPBESRZSA-N 0 0 367.490 2.698 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC[C@H](Cc3cnn(C)c3)C2)c([N+](=O)[O-])c1 ZINC000363316913 511477664 /nfs/dbraw/zinc/47/76/64/511477664.db2.gz QZZLNLFZUFPEQH-CSPWOOARSA-N 0 0 370.409 2.584 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H](C(=O)NCc1ccc(O)c(O)c1)C(C)(C)C ZINC000272285880 511490418 /nfs/dbraw/zinc/49/04/18/511490418.db2.gz GILQMKCEKLCYKM-CQSZACIVSA-N 0 0 352.431 2.653 20 10 FFCDRN COc1cccc([C@@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)CCO2)c1 ZINC000272706301 511505770 /nfs/dbraw/zinc/50/57/70/511505770.db2.gz XDPZSGJIOBDMNF-FNQPIQQGSA-N 0 0 355.390 2.720 20 10 FFCDRN COCCOCc1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000292223724 511511874 /nfs/dbraw/zinc/51/18/74/511511874.db2.gz FAPWRDCFTVHFLY-UHFFFAOYSA-N 0 0 360.429 2.985 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nnc(C2CCCC2)o1 ZINC000273136736 511518071 /nfs/dbraw/zinc/51/80/71/511518071.db2.gz DBVMXRQJXNYFCG-LBPRGKRZSA-N 0 0 359.426 2.818 20 10 FFCDRN Cc1cc(C)c([C@H](C)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c(O)c1 ZINC000283874113 511529198 /nfs/dbraw/zinc/52/91/98/511529198.db2.gz FGCFYWVESBEVNC-AWEZNQCLSA-N 0 0 355.438 2.739 20 10 FFCDRN CCN(CCOC)C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000299169171 511537925 /nfs/dbraw/zinc/53/79/25/511537925.db2.gz INTQOYUKXSMHIS-HUUCEWRRSA-N 0 0 367.465 2.617 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c1O ZINC000292305518 511545450 /nfs/dbraw/zinc/54/54/50/511545450.db2.gz VYSQQLDZVXQITE-APPDUMDISA-N 0 0 362.451 2.964 20 10 FFCDRN C[C@@H]([NH2+]CCNc1nccc(C(F)(F)F)n1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273610792 511550786 /nfs/dbraw/zinc/55/07/86/511550786.db2.gz VTDKJSQQFVUCOE-SECBINFHSA-N 0 0 371.319 2.872 20 10 FFCDRN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000295935003 511560512 /nfs/dbraw/zinc/56/05/12/511560512.db2.gz SQKOGXHRKHABFT-JQWIXIFHSA-N 0 0 368.405 2.612 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCCCCCSC)cc1 ZINC000283977942 511563457 /nfs/dbraw/zinc/56/34/57/511563457.db2.gz JBSRZNBUARXELV-UHFFFAOYSA-N 0 0 365.543 2.799 20 10 FFCDRN CCCCO[C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000299268409 511571731 /nfs/dbraw/zinc/57/17/31/511571731.db2.gz SMOKUUKGCKKCQF-AWEZNQCLSA-N 0 0 352.450 2.608 20 10 FFCDRN COC(=O)c1coc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000273753930 511597913 /nfs/dbraw/zinc/59/79/13/511597913.db2.gz UDWIISDHCCVMDP-OAHLLOKOSA-N 0 0 359.378 2.593 20 10 FFCDRN CCN(C(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1)C(C)C ZINC000273907935 511651743 /nfs/dbraw/zinc/65/17/43/511651743.db2.gz AAUBSQWIUWTNQH-UHFFFAOYSA-N 0 0 365.474 2.685 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1COc2ccccc2[C@@H]1O ZINC000292589595 511653514 /nfs/dbraw/zinc/65/35/14/511653514.db2.gz VSCFVNYPIDRAHL-QUCCMNQESA-N 0 0 367.449 2.581 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCn2ccnc2)cc1 ZINC000299686220 511667190 /nfs/dbraw/zinc/66/71/90/511667190.db2.gz UFSOYDDNXCQCLR-IBGZPJMESA-N 0 0 356.470 2.547 20 10 FFCDRN CC(C)(C)OC(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000274068512 511710611 /nfs/dbraw/zinc/71/06/11/511710611.db2.gz KIHFUKKJJIQKPA-LBPRGKRZSA-N 0 0 370.396 2.715 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)c3cc(C=O)c[nH]3)cc2F)C[C@@H](C)O1 ZINC000292777671 511717228 /nfs/dbraw/zinc/71/72/28/511717228.db2.gz KGLUEYQMPMPYOX-CHWSQXEVSA-N 0 0 359.401 2.510 20 10 FFCDRN COc1nccc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)n1 ZINC000296423142 511736646 /nfs/dbraw/zinc/73/66/46/511736646.db2.gz MSHMETLPNYZLHS-OKILXGFUSA-N 0 0 360.433 2.528 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(C)(C)C1CCOCC1 ZINC000281183096 511751225 /nfs/dbraw/zinc/75/12/25/511751225.db2.gz QTHLPNHUEXFZJT-UHFFFAOYSA-N 0 0 360.498 2.934 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1 ZINC000296469915 511756923 /nfs/dbraw/zinc/75/69/23/511756923.db2.gz NSLUXKDPOKNGGA-OFQRWUPVSA-N 0 0 368.433 2.521 20 10 FFCDRN CCn1ccnc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000365980263 511763684 /nfs/dbraw/zinc/76/36/84/511763684.db2.gz HJDQIEYALNZVOV-UHFFFAOYSA-N 0 0 364.396 2.903 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1cccc(F)c1 ZINC000284552241 511767862 /nfs/dbraw/zinc/76/78/62/511767862.db2.gz CYQNRQVMCFWFGZ-UHFFFAOYSA-N 0 0 358.413 2.629 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc3c(n2)CCC3)cc1 ZINC000296539722 511788712 /nfs/dbraw/zinc/78/87/12/511788712.db2.gz LYUZXVANVPBPMH-UHFFFAOYSA-N 0 0 366.465 2.671 20 10 FFCDRN COc1ccc(C[C@@](C)(O)C[NH2+][C@@H]2CCc3cccc(O)c32)cc1OC ZINC000296633342 511829305 /nfs/dbraw/zinc/82/93/05/511829305.db2.gz BLKGNOIVVMDRCR-IIBYNOLFSA-N 0 0 357.450 2.980 20 10 FFCDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000284906223 511923377 /nfs/dbraw/zinc/92/33/77/511923377.db2.gz HOXPYVQVELTXDB-KPNOGJDSSA-N 0 0 357.410 2.535 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(NC(=O)N(C)C)c1 ZINC000274904649 511982558 /nfs/dbraw/zinc/98/25/58/511982558.db2.gz HESFEIKBECLDGN-LBPRGKRZSA-N 0 0 357.410 2.552 20 10 FFCDRN O=C(/C=C/c1cncs1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000281902505 512005279 /nfs/dbraw/zinc/00/52/79/512005279.db2.gz HXBKNLMNBQKCJW-DUXPYHPUSA-N 0 0 361.442 2.573 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000293600179 512023401 /nfs/dbraw/zinc/02/34/01/512023401.db2.gz DRKXHWVARVKTGO-UONOGXRCSA-N 0 0 364.442 2.798 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)c1[O-] ZINC000293744869 512070223 /nfs/dbraw/zinc/07/02/23/512070223.db2.gz WDSNDQCLBYXGCB-INIZCTEOSA-N 0 0 370.833 2.611 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)cc1OC ZINC000366588491 512096452 /nfs/dbraw/zinc/09/64/52/512096452.db2.gz ZKXYPEZYSWVWNG-LXIYXOSZSA-N 0 0 366.414 2.775 20 10 FFCDRN COc1c([O-])c(C[NH+]2CCC(c3nccc(C)n3)CC2)ccc1[N+](=O)[O-] ZINC000375720298 512472201 /nfs/dbraw/zinc/47/22/01/512472201.db2.gz QXFBXYMURDZYNL-UHFFFAOYSA-N 0 0 358.398 2.787 20 10 FFCDRN Cc1ccccc1C1=CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000371631330 512501155 /nfs/dbraw/zinc/50/11/55/512501155.db2.gz CDFYMQZXYBXPNC-UHFFFAOYSA-N 0 0 372.446 2.612 20 10 FFCDRN COCc1nc([C@@H]2COCCN2Cc2ccc(N3CCCCC3)cc2)no1 ZINC000378537625 512813293 /nfs/dbraw/zinc/81/32/93/512813293.db2.gz KJFYYMCQJFROJX-SFHVURJKSA-N 0 0 372.469 2.780 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cn(C)nc1-c1ccoc1 ZINC000448311652 513731469 /nfs/dbraw/zinc/73/14/69/513731469.db2.gz PAJNRFIHQSLVBM-UHFFFAOYSA-N 0 0 352.394 2.785 20 10 FFCDRN Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cnc(N(C)C)n1C ZINC000436473279 513863048 /nfs/dbraw/zinc/86/30/48/513863048.db2.gz RTDXNWCXUKFNFE-WQLSENKSSA-N 0 0 355.467 2.819 20 10 FFCDRN COCCN(C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC)[C@H]1CCOC1 ZINC000470575587 514535569 /nfs/dbraw/zinc/53/55/69/514535569.db2.gz XZPUNSBBVORFTQ-SFHVURJKSA-N 0 0 374.481 2.782 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000471222126 514804116 /nfs/dbraw/zinc/80/41/16/514804116.db2.gz ASMBDVPWWMAYGL-LJQANCHMSA-N 0 0 363.417 2.893 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCCNC(=O)c1ccco1 ZINC000471227551 514806835 /nfs/dbraw/zinc/80/68/35/514806835.db2.gz RJYJYDHFLCQDRO-UHFFFAOYSA-N 0 0 353.422 2.906 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000472224482 515176174 /nfs/dbraw/zinc/17/61/74/515176174.db2.gz QWWQBULNYODCOP-IYBDPMFKSA-N 0 0 372.513 2.737 20 10 FFCDRN CCO[C@H]1C[C@@](O)(CNC(=O)NCc2c(C)c3ccccc3n2C)C1(C)C ZINC000472273602 515194205 /nfs/dbraw/zinc/19/42/05/515194205.db2.gz GCVCWPHFLDYLFW-GHTZIAJQSA-N 0 0 373.497 2.852 20 10 FFCDRN COC(=O)c1ccnc(NC(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000469914309 516028555 /nfs/dbraw/zinc/02/85/55/516028555.db2.gz JDRMSZCOPXQODK-UHFFFAOYSA-N 0 0 352.394 2.990 20 10 FFCDRN CSC1(CNC(=O)C(=O)NCc2c(C)c3ccccc3n2C)CCC1 ZINC000514750609 517037062 /nfs/dbraw/zinc/03/70/62/517037062.db2.gz YFMSCHXOTADYDH-UHFFFAOYSA-N 0 0 359.495 2.505 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)[C@@H](C)Sc1nnnn1C1CC1 ZINC000527475366 517697918 /nfs/dbraw/zinc/69/79/18/517697918.db2.gz JJOVZJFJESBACZ-GFCCVEGCSA-N 0 0 370.482 2.605 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCN(C(=O)C4CC4)C3)ccc21 ZINC000575740324 518257710 /nfs/dbraw/zinc/25/77/10/518257710.db2.gz DZTTWWGUEIZEQN-UHFFFAOYSA-N 0 0 369.465 2.556 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCNC[C@H]3C(F)F)ccc21 ZINC000569497442 519581799 /nfs/dbraw/zinc/58/17/99/519581799.db2.gz GTJCZDXEARGSSH-KRWDZBQOSA-N 0 0 365.424 2.584 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCc3[nH]cnc3C2)CCCC1 ZINC000627374316 522811085 /nfs/dbraw/zinc/81/10/85/522811085.db2.gz QIUYQKDOJFWNMP-UHFFFAOYSA-N 0 0 364.449 2.837 20 10 FFCDRN CN(C)c1ccc(CN(C)c2c3ccccc3nnc2-c2nn[nH]n2)cc1 ZINC000736774213 598955594 /nfs/dbraw/zinc/95/55/94/598955594.db2.gz SIESIKALXOCIHZ-UHFFFAOYSA-N 0 0 360.425 2.512 20 10 FFCDRN Cc1cc(C(=O)N(C)CC(F)F)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737228407 598752011 /nfs/dbraw/zinc/75/20/11/598752011.db2.gz YUZMYZORXXQDNE-UHFFFAOYSA-N 0 0 360.368 2.611 20 10 FFCDRN COc1cc(Br)cc(C[NH2+]C2CCC(C(=O)[O-])CC2)c1O ZINC000737846333 600007731 /nfs/dbraw/zinc/00/77/31/600007731.db2.gz VVPKDXBHXOMVFB-UHFFFAOYSA-N 0 0 358.232 2.896 20 10 FFCDRN NC(=O)CC[C@@H]1CCC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000739157191 600035028 /nfs/dbraw/zinc/03/50/28/600035028.db2.gz KMMMCVOMIPRGOF-ZDUSSCGKSA-N 0 0 356.422 2.721 20 10 FFCDRN CN(CCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000739683638 602648476 /nfs/dbraw/zinc/64/84/76/602648476.db2.gz ANEOLOJRWNQHBL-UHFFFAOYSA-N 0 0 350.419 2.675 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)cc1)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833695512 605041359 /nfs/dbraw/zinc/04/13/59/605041359.db2.gz OULLDVZOSIZYSZ-IBGZPJMESA-N 0 0 358.413 2.920 20 10 FFCDRN O=C1C(=Cc2cc(-c3nn[nH]n3)cs2)SC(=S)N1c1cccnc1 ZINC000823504468 606304692 /nfs/dbraw/zinc/30/46/92/606304692.db2.gz QNLQMZRWCPDXQI-VZUCSPMQSA-N 0 0 372.460 2.729 20 10 FFCDRN CCOc1ccc(N(CC)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000821422470 606922589 /nfs/dbraw/zinc/92/25/89/606922589.db2.gz WTFKIEGCOIDNAC-SFHVURJKSA-N 0 0 353.426 2.825 20 10 FFCDRN CN(Cc1cc2c(cc1O)OCO2)c1cc(Cl)ccc1-c1nn[nH]n1 ZINC000825954321 607848715 /nfs/dbraw/zinc/84/87/15/607848715.db2.gz ZVAALEXSVCIXTO-UHFFFAOYSA-N 0 0 359.773 2.591 20 10 FFCDRN C[C@H](NC(=O)NCCCSc1nccs1)C(=O)Nc1ccccc1 ZINC000153499472 728781364 /nfs/dbraw/zinc/78/13/64/728781364.db2.gz HHKDGJQXKYRYGF-LBPRGKRZSA-N 0 0 364.496 2.952 20 10 FFCDRN CC[C@](C)(CCO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000153708323 728786196 /nfs/dbraw/zinc/78/61/96/728786196.db2.gz DUHUWBWFGVBTLY-GOSISDBHSA-N 0 0 351.516 2.590 20 10 FFCDRN Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCCCSc1nccs1 ZINC000153987188 728793627 /nfs/dbraw/zinc/79/36/27/728793627.db2.gz FNYVZQIIQVYKRB-NSHDSACASA-N 0 0 367.544 2.906 20 10 FFCDRN O=C(c1ccco1)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000158448799 728888498 /nfs/dbraw/zinc/88/84/98/728888498.db2.gz SCBIBVJZVQYAPD-UHFFFAOYSA-N 0 0 365.227 2.706 20 10 FFCDRN COc1cc(CN2CCN(CC(F)(F)C(F)F)CC2)c(O)cc1C ZINC000160269034 728919371 /nfs/dbraw/zinc/91/93/71/728919371.db2.gz AJJVPRIESNEZQK-UHFFFAOYSA-N 0 0 350.356 2.727 20 10 FFCDRN CN(C)C(=O)O[C@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000897883999 735289498 /nfs/dbraw/zinc/28/94/98/735289498.db2.gz QWQNCTQQBAEINR-NSHDSACASA-N 0 0 364.423 2.615 20 10 FFCDRN [O-]c1c(F)c(F)ccc1C[NH2+][C@H]1CCc2ncc(Br)n2C1 ZINC000898721460 735399115 /nfs/dbraw/zinc/39/91/15/735399115.db2.gz SGXYSGOXQWXAJR-VIFPVBQESA-N 0 0 358.186 2.734 20 10 FFCDRN O=Cc1c(Br)nc2n1CCO/C2=C\c1cnn(C2CCC2)c1 ZINC000899392069 735483954 /nfs/dbraw/zinc/48/39/54/735483954.db2.gz NMMOHJNYEWGZCF-MLPAPPSSSA-N 0 0 363.215 2.908 20 10 FFCDRN O=Cc1c(Br)nc2n1CCO/C2=C/c1cnn(C2CCC2)c1 ZINC000899392068 735484005 /nfs/dbraw/zinc/48/40/05/735484005.db2.gz NMMOHJNYEWGZCF-AWNIVKPZSA-N 0 0 363.215 2.908 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CSCN2C(=O)C(C)(C)C)cc1 ZINC000076656571 728264803 /nfs/dbraw/zinc/26/48/03/728264803.db2.gz KAZSRBVVBDUKDD-INIZCTEOSA-N 0 0 363.527 2.659 20 10 FFCDRN CCOC[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000081485759 728399505 /nfs/dbraw/zinc/39/95/05/728399505.db2.gz DUVGISADCSKNDY-QGZVFWFLSA-N 0 0 363.527 2.808 20 10 FFCDRN CCC[C@@H](C)NC(=O)[C@@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866394 728426557 /nfs/dbraw/zinc/42/65/57/728426557.db2.gz DBFCMIDQKSMUFB-HUUCEWRRSA-N 0 0 351.466 2.650 20 10 FFCDRN O=C1NCCN(Cc2cc(Br)ccc2O)[C@@H]1c1ccccc1 ZINC000092674791 728470075 /nfs/dbraw/zinc/47/00/75/728470075.db2.gz FYNNJDPAOLNULL-MRXNPFEDSA-N 0 0 361.239 2.828 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CC[C@](CO)(C(F)(F)F)C1 ZINC000899605169 735526590 /nfs/dbraw/zinc/52/65/90/735526590.db2.gz ZQHQVFLJRMNVOM-AWEZNQCLSA-N 0 0 361.341 2.699 20 10 FFCDRN Cc1cc(C(=O)N(C)CCS(C)(=O)=O)c(C)n1-c1ccc(Cl)cc1 ZINC000102755425 728492001 /nfs/dbraw/zinc/49/20/01/728492001.db2.gz VQYPEEZVENQUAZ-UHFFFAOYSA-N 0 0 368.886 2.864 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CSCN1C(=O)CC(C)(C)C ZINC000106363369 728510769 /nfs/dbraw/zinc/51/07/69/728510769.db2.gz AUVDWDUQPAHAJH-CQSZACIVSA-N 0 0 350.484 2.688 20 10 FFCDRN CC[C@@H](C)[C@@](C)(O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000112441804 728545323 /nfs/dbraw/zinc/54/53/23/728545323.db2.gz RTOBOMWBRLZFPZ-BEFAXECRSA-N 0 0 365.543 2.836 20 10 FFCDRN O=C(NCCCSc1nccs1)c1ccc(N2CCNC2=O)cc1 ZINC000114140048 728559047 /nfs/dbraw/zinc/55/90/47/728559047.db2.gz CTFWIDLBYWHEOV-UHFFFAOYSA-N 0 0 362.480 2.585 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(C)c3ncccc23)c1 ZINC000119843679 728601370 /nfs/dbraw/zinc/60/13/70/728601370.db2.gz HTLCMHMKQLOIHY-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cc(Br)ccc1F ZINC000747148243 735538508 /nfs/dbraw/zinc/53/85/08/735538508.db2.gz RZWKMPYDNHCWLP-XYOKQWHBSA-N 0 0 371.231 2.891 20 10 FFCDRN CS(=O)(=O)c1cc(C(=O)NCCCSc2nccs2)cs1 ZINC000122292188 728645972 /nfs/dbraw/zinc/64/59/72/728645972.db2.gz BNNYCUBYKKISRP-UHFFFAOYSA-N 0 0 362.523 2.520 20 10 FFCDRN C[C@@H](O)C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000122418058 728647266 /nfs/dbraw/zinc/64/72/66/728647266.db2.gz GDJVVTDUMAOCKR-QAPCUYQASA-N 0 0 363.527 2.685 20 10 FFCDRN CSCCCCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000131751675 728722932 /nfs/dbraw/zinc/72/29/32/728722932.db2.gz CYPJQMBAUJIHBG-UHFFFAOYSA-N 0 0 355.479 2.605 20 10 FFCDRN O=C(NCCCSc1nccs1)NCCCN1CCCCCC1=O ZINC000151726468 728746559 /nfs/dbraw/zinc/74/65/59/728746559.db2.gz DTZSTUHNDULMPA-UHFFFAOYSA-N 0 0 370.544 2.717 20 10 FFCDRN C[C@@H](Oc1cccc(CO)c1)C(=O)NCCCSc1nccs1 ZINC000163314250 728956162 /nfs/dbraw/zinc/95/61/62/728956162.db2.gz WJPDCRFRWHEFTN-GFCCVEGCSA-N 0 0 352.481 2.701 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2CCCS(=O)(=O)c1ccccc1 ZINC000175027011 729085090 /nfs/dbraw/zinc/08/50/90/729085090.db2.gz DUBLRGUCXYICBC-UHFFFAOYSA-N 0 0 360.479 2.815 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000175506648 729096965 /nfs/dbraw/zinc/09/69/65/729096965.db2.gz BHJADEBRLOQRHA-UHFFFAOYSA-N 0 0 359.813 2.847 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(=O)[nH]c1 ZINC000175841560 729102734 /nfs/dbraw/zinc/10/27/34/729102734.db2.gz WWCLZRQHZYPITB-UHFFFAOYSA-N 0 0 351.200 2.918 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000176692544 729117467 /nfs/dbraw/zinc/11/74/67/729117467.db2.gz NEOXPNYNWNLQLT-UHFFFAOYSA-N 0 0 372.443 2.697 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(Cl)cn3C)CC2)cc1F ZINC000177271906 729132953 /nfs/dbraw/zinc/13/29/53/729132953.db2.gz PBOROYJXDVTXCK-UHFFFAOYSA-N 0 0 351.809 2.789 20 10 FFCDRN COC(=O)C[C@@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)CCO1 ZINC000177779383 729146227 /nfs/dbraw/zinc/14/62/27/729146227.db2.gz YMJPIBAIRYPDCE-CQSZACIVSA-N 0 0 362.451 2.560 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1ccc(CO)c(F)c1 ZINC000177808957 729146550 /nfs/dbraw/zinc/14/65/50/729146550.db2.gz HVAYRKPLPDZALF-UHFFFAOYSA-N 0 0 355.460 2.756 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H]2CCN(c3cccc(Cl)c3)C2=O)c(O)c1O ZINC000179538193 729188098 /nfs/dbraw/zinc/18/80/98/729188098.db2.gz VPMHGGGKKFMJSQ-CQSZACIVSA-N 0 0 360.797 2.595 20 10 FFCDRN COC(=O)[C@@H]1CCCCN1Cc1cc(Br)cc(OC)c1O ZINC000179805630 729195402 /nfs/dbraw/zinc/19/54/02/729195402.db2.gz JIMIGXQOGKABIX-LBPRGKRZSA-N 0 0 358.232 2.691 20 10 FFCDRN O=C(NCC[C@@H]1CCCCO1)NCc1ccc(N2CCSCC2)cc1 ZINC000181043649 729232214 /nfs/dbraw/zinc/23/22/14/729232214.db2.gz GLQBMKFINBHOEC-SFHVURJKSA-N 0 0 363.527 2.998 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(OCC(F)F)ccn2)c1 ZINC000182345180 729275434 /nfs/dbraw/zinc/27/54/34/729275434.db2.gz MJUICFIFSVTNKA-JTQLQIEISA-N 0 0 352.337 2.931 20 10 FFCDRN Cc1ccc(C(=O)NCCOc2ncccc2C(F)(F)F)c(O)c1O ZINC000182857843 729289784 /nfs/dbraw/zinc/28/97/84/729289784.db2.gz PRUIEHDSNYTMNH-UHFFFAOYSA-N 0 0 356.300 2.629 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C/c3scnc3C)CC2)cc1F ZINC000187477557 729377028 /nfs/dbraw/zinc/37/70/28/729377028.db2.gz ZMDNLWHPTPVYJW-AATRIKPKSA-N 0 0 361.442 2.961 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1nccs1 ZINC000193378013 729476530 /nfs/dbraw/zinc/47/65/30/729476530.db2.gz WOEAARMNKPPECV-UHFFFAOYSA-N 0 0 350.419 2.565 20 10 FFCDRN Cn1cc(Cl)cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000194057543 729498490 /nfs/dbraw/zinc/49/84/90/729498490.db2.gz LRCRJVSTPMVRKS-UHFFFAOYSA-N 0 0 361.873 2.817 20 10 FFCDRN CO[C@@H](C)CS(=O)(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000195170550 729531564 /nfs/dbraw/zinc/53/15/64/729531564.db2.gz WDKKSWQZNVRPEL-HNNXBMFYSA-N 0 0 354.516 2.910 20 10 FFCDRN CN(C)Cc1csc(CNC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000924785159 738449404 /nfs/dbraw/zinc/44/94/04/738449404.db2.gz MXPUDJJQZFVVJD-UHFFFAOYSA-N 0 0 354.863 2.563 20 10 FFCDRN CCc1nc(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)cs1 ZINC000856210623 730316099 /nfs/dbraw/zinc/31/60/99/730316099.db2.gz KCCDJQAXZIRZFC-UHFFFAOYSA-N 0 0 359.495 2.526 20 10 FFCDRN O=C(C[C@H]1CSCCS1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212474 730316189 /nfs/dbraw/zinc/31/61/89/730316189.db2.gz NFVDATNIVWSQMK-KRWDZBQOSA-N 0 0 366.552 2.503 20 10 FFCDRN CC(C)(C)OC(=O)C(C)(C)n1ccc(NC(=O)C2=CC(=O)CS2)n1 ZINC000856214796 730316335 /nfs/dbraw/zinc/31/63/35/730316335.db2.gz GQAFYWKEWCZBKL-UHFFFAOYSA-N 0 0 351.428 2.979 20 10 FFCDRN CCc1noc(C[C@@]2(O)CCC[N@H+](Cc3c([O-])ccc(Cl)c3F)C2)n1 ZINC000856594081 730346509 /nfs/dbraw/zinc/34/65/09/730346509.db2.gz DOXKYFFUUQJMCM-KRWDZBQOSA-N 0 0 369.824 2.700 20 10 FFCDRN CN(C)c1cc(F)c(CN[C@@H]2CCCN(CC(F)(F)F)C2=O)cc1F ZINC000858152914 730418030 /nfs/dbraw/zinc/41/80/30/730418030.db2.gz DGBBEVIEWNZGHW-CYBMUJFWSA-N 0 0 365.346 2.674 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](CCF)C2)cc1F ZINC000858205676 730419778 /nfs/dbraw/zinc/41/97/78/730419778.db2.gz CKZKQVRHLOSMKG-OAHLLOKOSA-N 0 0 355.429 2.942 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000858598512 730429497 /nfs/dbraw/zinc/42/94/97/730429497.db2.gz FNKLKRPRYRPBNS-OLMNPRSZSA-N 0 0 361.511 2.953 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ocnc3C(F)F)CC2)cc1 ZINC000858665854 730431080 /nfs/dbraw/zinc/43/10/80/730431080.db2.gz QHGCSNGODIISOG-UHFFFAOYSA-N 0 0 351.353 2.973 20 10 FFCDRN Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1cc(F)c(N(C)C)cc1F ZINC000862252538 730682415 /nfs/dbraw/zinc/68/24/15/730682415.db2.gz DYCHXBQOVBKCPV-QGZVFWFLSA-N 0 0 350.413 2.944 20 10 FFCDRN CCOC(=O)C[C@H]1C[C@@H](OC)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862331724 730688764 /nfs/dbraw/zinc/68/87/64/730688764.db2.gz NIDFBCMKFCPTJE-ZIAGYGMSSA-N 0 0 356.413 2.573 20 10 FFCDRN CCOC(=O)C[C@H]1C[C@H](OC)CN1Cc1cc(F)c(N(C)C)cc1F ZINC000862331722 730688786 /nfs/dbraw/zinc/68/87/86/730688786.db2.gz NIDFBCMKFCPTJE-KGLIPLIRSA-N 0 0 356.413 2.573 20 10 FFCDRN CCOC(=O)[C@H](NCc1c(O)cccc1Br)[C@H]1CCCOC1 ZINC000862339612 730690125 /nfs/dbraw/zinc/69/01/25/730690125.db2.gz ZNABHPOJYLIYGC-XHDPSFHLSA-N 0 0 372.259 2.603 20 10 FFCDRN CC[C@@H]1CN(Cc2c(O)cccc2Br)C[C@@H](C)S1(=O)=O ZINC000862366464 730692383 /nfs/dbraw/zinc/69/23/83/730692383.db2.gz ITYGSXLNQWBOAB-GHMZBOCLSA-N 0 0 362.289 2.552 20 10 FFCDRN C[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(Cl)c1[O-] ZINC000862542835 730708172 /nfs/dbraw/zinc/70/81/72/730708172.db2.gz BJFQCIDNRJVNSY-UHFFFAOYSA-N 0 0 362.813 2.887 20 10 FFCDRN CSCC[C@H](NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)C(N)=O ZINC000862714966 730721199 /nfs/dbraw/zinc/72/11/99/730721199.db2.gz OBLVXFHLIUSDBN-KRWDZBQOSA-N 0 0 359.495 2.739 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@H](CC(F)F)NC(=O)OC(C)(C)C)c1 ZINC000862757747 730723685 /nfs/dbraw/zinc/72/36/85/730723685.db2.gz DBPQUXVWAAKRJX-LBPRGKRZSA-N 0 0 358.385 2.865 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@]23CCC(=O)N2c2ccccc2S3)c1 ZINC000862759767 730724037 /nfs/dbraw/zinc/72/40/37/730724037.db2.gz LCNPFTSZSJWKHC-IBGZPJMESA-N 0 0 354.431 2.946 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCOC2(CCOCC2)CC1 ZINC000769518459 737538753 /nfs/dbraw/zinc/53/87/53/737538753.db2.gz ZPAOVQLEGXUFDP-UHFFFAOYSA-N 0 0 371.528 2.606 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)CC3CSC3)cc2F)C[C@H](C)O1 ZINC000864930786 730892875 /nfs/dbraw/zinc/89/28/75/730892875.db2.gz FTDDZSXTRYFQND-STQMWFEESA-N 0 0 352.475 2.809 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CC3CSC3)cc2F)C[C@H](C)O1 ZINC000864930784 730892964 /nfs/dbraw/zinc/89/29/64/730892964.db2.gz FTDDZSXTRYFQND-BETUJISGSA-N 0 0 352.475 2.809 20 10 FFCDRN CN1CCCc2cc(CNC(=O)CCc3nnc(C(F)F)o3)ccc21 ZINC000865052694 730906947 /nfs/dbraw/zinc/90/69/47/730906947.db2.gz CWSIXADYBYXELR-UHFFFAOYSA-N 0 0 350.369 2.639 20 10 FFCDRN CCO[C@@H](C(=O)NCc1ccc(N(CC)CC)c(F)c1)[C@H]1CCOC1 ZINC000865636594 730980073 /nfs/dbraw/zinc/98/00/73/730980073.db2.gz MZKDPIBDULURLT-MAUKXSAKSA-N 0 0 352.450 2.730 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(C(F)(F)F)ncn1 ZINC000866206476 731040917 /nfs/dbraw/zinc/04/09/17/731040917.db2.gz LJNQYZQKEYSDEZ-UHFFFAOYSA-N 0 0 352.316 2.601 20 10 FFCDRN COC1(CS(=O)(=O)NCCCSc2nccs2)CCCC1 ZINC000866780825 731099172 /nfs/dbraw/zinc/09/91/72/731099172.db2.gz DTEFNTGZDJYPQV-UHFFFAOYSA-N 0 0 350.531 2.504 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)n1ccc(C(F)(F)F)n1 ZINC000867302038 731167471 /nfs/dbraw/zinc/16/74/71/731167471.db2.gz ITUIVZFMRSFUAC-UWVGGRQHSA-N 0 0 357.332 2.622 20 10 FFCDRN COC(C)(C)[C@H](C)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000925486934 738510098 /nfs/dbraw/zinc/51/00/98/738510098.db2.gz UEWCADZJXNTRQZ-HOCLYGCPSA-N 0 0 350.459 2.896 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1ccc(C2(C)OCCO2)cc1)c1ccccc1O ZINC000867834409 731232123 /nfs/dbraw/zinc/23/21/23/731232123.db2.gz IBTSETBWQIYWCK-CYBMUJFWSA-N 0 0 363.435 2.651 20 10 FFCDRN CCN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000867836008 731232335 /nfs/dbraw/zinc/23/23/35/731232335.db2.gz ANWJCSLEKPTXJW-ZDUSSCGKSA-N 0 0 362.451 2.524 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)CC(F)(F)C(F)(F)F)C2)cc1 ZINC000869229219 731377109 /nfs/dbraw/zinc/37/71/09/731377109.db2.gz UKBLRXDTBJXXKO-JTQLQIEISA-N 0 0 352.303 2.978 20 10 FFCDRN O=C(NCc1cccnc1OCC(F)F)NCc1c(O)cccc1F ZINC000921713067 738029864 /nfs/dbraw/zinc/02/98/64/738029864.db2.gz UEGHXOXRARNHMQ-UHFFFAOYSA-N 0 0 355.316 2.570 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3coc(SC)c3)CC2)c(OC)c1 ZINC000870166623 731478365 /nfs/dbraw/zinc/47/83/65/731478365.db2.gz QUPSGQBAUUNVOK-UHFFFAOYSA-N 0 0 362.451 2.981 20 10 FFCDRN O=C([C@@H](O)Cc1cccc(C(F)(F)F)c1)N1Cc2cccc(O)c2C1 ZINC000871205030 731606085 /nfs/dbraw/zinc/60/60/85/731606085.db2.gz TWPUBHKSDFEZOU-INIZCTEOSA-N 0 0 351.324 2.857 20 10 FFCDRN Nc1ccc(NC(=O)NCC2(n3cc(Br)cn3)CC2)cc1 ZINC000926141993 738572599 /nfs/dbraw/zinc/57/25/99/738572599.db2.gz 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CC(=O)c1cc(Cl)cc(Cn2cc(C3CC4(C3)OCCO4)nn2)c1O ZINC000880998911 733002275 /nfs/dbraw/zinc/00/22/75/733002275.db2.gz CUXAZHPRJKYZCL-UHFFFAOYSA-N 0 0 363.801 2.509 20 10 FFCDRN CC[C@H]([NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1)c1cc(Br)ccc1O ZINC000926947407 738671827 /nfs/dbraw/zinc/67/18/27/738671827.db2.gz JODPDOAIWPOWJN-ILHHOCCXSA-N 0 0 356.260 2.999 20 10 FFCDRN C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000926976764 738677012 /nfs/dbraw/zinc/67/70/12/738677012.db2.gz AXXGZIFMVJYFKA-DTWKUNHWSA-N 0 0 361.667 2.985 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)Cc1cc(OC)ns1 ZINC000881772440 733105127 /nfs/dbraw/zinc/10/51/27/733105127.db2.gz YXTLTRYDAQVKMD-UHFFFAOYSA-N 0 0 369.512 2.570 20 10 FFCDRN C[C@@H](NS(=O)(=O)CC1(C)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000881812904 733113754 /nfs/dbraw/zinc/11/37/54/733113754.db2.gz JNHLJRJGPQAHIG-OAHLLOKOSA-N 0 0 352.500 2.694 20 10 FFCDRN Cc1n[nH]cc1-c1nnc(NC(=O)NCc2ccc(N(C)C)cc2)s1 ZINC000782094441 738687999 /nfs/dbraw/zinc/68/79/99/738687999.db2.gz 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CCOCCOC[C@@H](O)C[NH2+][C@@H](C)c1cc(Cl)c(Cl)cc1[O-] ZINC000774382848 737985529 /nfs/dbraw/zinc/98/55/29/737985529.db2.gz VLFDKXXTGZSMEQ-QWRGUYRKSA-N 0 0 352.258 2.764 20 10 FFCDRN C[C@@H](N[C@H]1C[NH2+]CCC1(F)F)c1cc(Br)cc(F)c1[O-] ZINC000817979461 742226564 /nfs/dbraw/zinc/22/65/64/742226564.db2.gz BDPNGXKFPVQGAJ-HQJQHLMTSA-N 0 0 353.182 2.942 20 10 FFCDRN CC(C)(C)NC(=O)N1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000775984772 738149980 /nfs/dbraw/zinc/14/99/80/738149980.db2.gz VURZJNMTYHPVIV-UHFFFAOYSA-N 0 0 370.291 2.780 20 10 FFCDRN O=C(NCCCSc1nccs1)NCCc1ccc(CO)cc1 ZINC000776052202 738156497 /nfs/dbraw/zinc/15/64/97/738156497.db2.gz OVFPLEYZSZXZTE-UHFFFAOYSA-N 0 0 351.497 2.660 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CC1(O)CCC1 ZINC000776174749 738168065 /nfs/dbraw/zinc/16/80/65/738168065.db2.gz FWYHFIYDYUVPCK-UHFFFAOYSA-N 0 0 365.065 2.922 20 10 FFCDRN C[C@H](NC(=O)N1CCC[C@@H]1[C@@H](O)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000776249684 738174602 /nfs/dbraw/zinc/17/46/02/738174602.db2.gz 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/nfs/dbraw/zinc/91/26/13/738912613.db2.gz CFRDUZGNKLDXGF-UHFFFAOYSA-N 0 0 362.765 2.655 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)s1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000786961457 739093252 /nfs/dbraw/zinc/09/32/52/739093252.db2.gz ZKXGDGXJNYOWCN-VIFPVBQESA-N 0 0 356.425 2.616 20 10 FFCDRN COC(=O)c1cccc(NC(=O)CN(C)c2ccc(OC)c(Cl)c2)n1 ZINC000787260455 739120089 /nfs/dbraw/zinc/12/00/89/739120089.db2.gz AKRGSFOXIYGOIM-UHFFFAOYSA-N 0 0 363.801 2.605 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCCOCC(F)(F)C(F)(F)F ZINC000787748728 739166044 /nfs/dbraw/zinc/16/60/44/739166044.db2.gz SXCBAPMJJIDVKU-DUXPYHPUSA-N 0 0 356.243 2.868 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2cc(Cl)c(OC)cc2C)c1O ZINC000788629591 739265667 /nfs/dbraw/zinc/26/56/67/739265667.db2.gz CUJQIQZSSFZHTQ-UHFFFAOYSA-N 0 0 371.842 2.850 20 10 FFCDRN CCCCC[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)OC ZINC000789574671 739369417 /nfs/dbraw/zinc/36/94/17/739369417.db2.gz FBZOVFSOAXAQEU-KRWDZBQOSA-N 0 0 352.450 2.874 20 10 FFCDRN CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000789951978 739398945 /nfs/dbraw/zinc/39/89/45/739398945.db2.gz MTSLRJAWXMQUKU-MRXNPFEDSA-N 0 0 368.543 2.918 20 10 FFCDRN COc1cc(F)c([C@@H](C)NC(=O)c2c(F)ccc(O)c2O)cc1OC ZINC000789979586 739401835 /nfs/dbraw/zinc/40/18/35/739401835.db2.gz SRRQQKXCAVIJOD-MRVPVSSYSA-N 0 0 353.321 2.884 20 10 FFCDRN CSc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cnn1C ZINC000790353404 739442650 /nfs/dbraw/zinc/44/26/50/739442650.db2.gz ARXDFFFGMYYSIZ-UHFFFAOYSA-N 0 0 362.524 2.625 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCCCSc2nccs2)C[C@@]2(CCOC2)O1 ZINC000793104426 739739264 /nfs/dbraw/zinc/73/92/64/739739264.db2.gz RIBRRLUUHLMADT-CZUORRHYSA-N 0 0 371.528 2.605 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnc(F)c(Cl)c3)CC2)cc1F ZINC000934402855 739782398 /nfs/dbraw/zinc/78/23/98/739782398.db2.gz CXXNXPJUTAUYAN-UHFFFAOYSA-N 0 0 367.783 2.984 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)Nc1ccnn1[C@H]1CCCOC1 ZINC000934660620 739820021 /nfs/dbraw/zinc/82/00/21/739820021.db2.gz CBQODQNISZVPAI-LBPRGKRZSA-N 0 0 350.806 2.915 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)COCc2nnc(C)s2)cc1 ZINC000794629021 739912206 /nfs/dbraw/zinc/91/22/06/739912206.db2.gz NDPNEZQATVITCN-UHFFFAOYSA-N 0 0 362.499 2.868 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CCCCC23CCCC3)c1 ZINC000794659563 739916469 /nfs/dbraw/zinc/91/64/69/739916469.db2.gz UDNNFVSKGGFKHD-MRXNPFEDSA-N 0 0 366.483 2.997 20 10 FFCDRN Oc1ccc(Br)cc1CNC(=S)NCCc1cccnc1 ZINC000795155114 739976218 /nfs/dbraw/zinc/97/62/18/739976218.db2.gz YVUGMWSKGRHXGL-UHFFFAOYSA-N 0 0 366.284 2.757 20 10 FFCDRN COc1ccc(CNc2c(Br)cncc2[N+](=O)[O-])c(O)c1 ZINC000795285525 739996995 /nfs/dbraw/zinc/99/69/95/739996995.db2.gz QQRWGTWQMZQNCY-UHFFFAOYSA-N 0 0 354.160 2.501 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2ccccc2-c2ccno2)c(O)c1 ZINC000795356811 740009088 /nfs/dbraw/zinc/00/90/88/740009088.db2.gz HNXQOKDDLDDHER-UHFFFAOYSA-N 0 0 360.391 2.534 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2c(C)ccc3cccnc32)c(O)c1 ZINC000795362626 740010646 /nfs/dbraw/zinc/01/06/46/740010646.db2.gz OEKFHYKQTZEYRI-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN CCOC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2O)ccc1C ZINC000795847877 740070441 /nfs/dbraw/zinc/07/04/41/740070441.db2.gz FVYFFAOJNVTEHD-UHFFFAOYSA-N 0 0 363.435 2.698 20 10 FFCDRN CC[C@@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(F)cc1[O-] ZINC000797112986 740213255 /nfs/dbraw/zinc/21/32/55/740213255.db2.gz SEKCDVXCONKVLA-UKRRQHHQSA-N 0 0 350.356 2.835 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccnc(C)c2Br)c(O)c1 ZINC000797648456 740261617 /nfs/dbraw/zinc/26/16/17/740261617.db2.gz FRDBUSNXXJRWHP-UHFFFAOYSA-N 0 0 366.215 2.610 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccncc2OCC(F)(F)F)c(O)c1O ZINC000799062355 740384997 /nfs/dbraw/zinc/38/49/97/740384997.db2.gz YTVURLSIAJOIBZ-UHFFFAOYSA-N 0 0 356.300 2.672 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000801733999 740646514 /nfs/dbraw/zinc/64/65/14/740646514.db2.gz PRKOASUHCYUBQA-BBRMVZONSA-N 0 0 370.287 2.812 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1C[C@H](OCC)[C@H]1OC ZINC000802298634 740693565 /nfs/dbraw/zinc/69/35/65/740693565.db2.gz VGKYPWQCLFGDHB-NJAFHUGGSA-N 0 0 350.459 2.896 20 10 FFCDRN O=S(=O)(c1cccc2nonc21)N(CC(F)F)c1ccc(F)cc1 ZINC000802754763 740727493 /nfs/dbraw/zinc/72/74/93/740727493.db2.gz GJXGHWYAUJTBGD-UHFFFAOYSA-N 0 0 357.313 2.822 20 10 FFCDRN COc1c(NC(=O)/C=C/c2ccc(O)c(O)c2)cc(Cl)cc1C(N)=O ZINC000803789873 740827245 /nfs/dbraw/zinc/82/72/45/740827245.db2.gz IGNIQSRUEUGTGH-HWKANZROSA-N 0 0 362.769 2.511 20 10 FFCDRN Cn1cc(/C=C\C(=O)N2CCN(C)c3cc(Br)ccc32)cn1 ZINC000804440887 740874560 /nfs/dbraw/zinc/87/45/60/740874560.db2.gz SWSVUBOEJULYGT-UTCJRWHESA-N 0 0 361.243 2.679 20 10 FFCDRN CCc1cc(C(=O)NCc2cc(Br)ccc2O)c(C)nn1 ZINC000804736474 740901209 /nfs/dbraw/zinc/90/12/09/740901209.db2.gz VGOWUXYTDYAETL-UHFFFAOYSA-N 0 0 350.216 2.746 20 10 FFCDRN NC(=O)c1ccc(NCc2cc(Br)ccc2O)c([N+](=O)[O-])c1 ZINC000804826608 740908317 /nfs/dbraw/zinc/90/83/17/740908317.db2.gz BSJQOANYLVKEFU-UHFFFAOYSA-N 0 0 366.171 2.774 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCCSC(C)C)CC2)cc1F ZINC000806012795 741030691 /nfs/dbraw/zinc/03/06/91/741030691.db2.gz HFURJCPTJKEEKV-UHFFFAOYSA-N 0 0 355.479 2.808 20 10 FFCDRN CCNS(=O)(=O)CC[NH2+][C@@H](CC)c1cc(Cl)cc(Cl)c1[O-] ZINC000806146042 741043598 /nfs/dbraw/zinc/04/35/98/741043598.db2.gz QOOLPJKCBIJGSQ-LBPRGKRZSA-N 0 0 355.287 2.679 20 10 FFCDRN Cc1cccc(CN(C)C(=O)C(=O)NCCCSc2nccs2)c1 ZINC000806276722 741049515 /nfs/dbraw/zinc/04/95/15/741049515.db2.gz KWEBLQZMBSUSHH-UHFFFAOYSA-N 0 0 363.508 2.709 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000806279506 741049845 /nfs/dbraw/zinc/04/98/45/741049845.db2.gz QLWBSIXBDDVJBW-QWHCGFSZSA-N 0 0 353.513 2.533 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cnc(C2OCCO2)s1 ZINC000806851844 741089511 /nfs/dbraw/zinc/08/95/11/741089511.db2.gz YZUPGVUUWLRWPI-UHFFFAOYSA-N 0 0 357.482 2.557 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCC[C@@H]1CCO ZINC000807154377 741114230 /nfs/dbraw/zinc/11/42/30/741114230.db2.gz JHLXPMMZKUIKOO-ZWNOBZJWSA-N 0 0 357.248 2.505 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCC[C@H]1CCO ZINC000807154373 741114244 /nfs/dbraw/zinc/11/42/44/741114244.db2.gz JHLXPMMZKUIKOO-GXFFZTMASA-N 0 0 357.248 2.505 20 10 FFCDRN CCSCC[C@H](C)N(C)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807674716 741147938 /nfs/dbraw/zinc/14/79/38/741147938.db2.gz PTWXLKUJQOEFRS-GJZGRUSLSA-N 0 0 365.543 2.920 20 10 FFCDRN CC[C@@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)C[C@@H](C)S1(=O)=O ZINC000808192450 741197451 /nfs/dbraw/zinc/19/74/51/741197451.db2.gz DBWIBLQHADOTBT-CZUORRHYSA-N 0 0 363.479 2.952 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1COc2ccccc2[C@@H]1O ZINC000808455038 741227421 /nfs/dbraw/zinc/22/74/21/741227421.db2.gz WBKPEMHLNTYAOD-BBRMVZONSA-N 0 0 350.212 2.739 20 10 FFCDRN CC(=O)C(=O)COC(=O)COc1ccc2cc(Br)ccc2c1 ZINC000808505532 741230737 /nfs/dbraw/zinc/23/07/37/741230737.db2.gz DRGPTACYFNAWFK-UHFFFAOYSA-N 0 0 365.179 2.682 20 10 FFCDRN CSc1nc(-c2ccc(F)cc2)nc(C)c1C(=O)OCC(=O)C(C)=O ZINC000808504927 741230779 /nfs/dbraw/zinc/23/07/79/741230779.db2.gz OYIXRAUYVFVTMN-UHFFFAOYSA-N 0 0 362.382 2.628 20 10 FFCDRN CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000808726944 741255752 /nfs/dbraw/zinc/25/57/52/741255752.db2.gz SZNUSEIMSMKPJQ-SECBINFHSA-N 0 0 368.268 2.768 20 10 FFCDRN C[C@@H](NS(=O)(=O)CCC1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000809809856 741346217 /nfs/dbraw/zinc/34/62/17/741346217.db2.gz BVHNJITYFCRLEV-OAHLLOKOSA-N 0 0 352.500 2.694 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@@H]1CCCSC1 ZINC000810167581 741394385 /nfs/dbraw/zinc/39/43/85/741394385.db2.gz KVIONRJHFYJMLP-CQSZACIVSA-N 0 0 352.475 2.546 20 10 FFCDRN COCC[C@@H](COC)[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000810256629 741402312 /nfs/dbraw/zinc/40/23/12/741402312.db2.gz CMPMFVPDTZEJLO-KOLCDFICSA-N 0 0 350.228 2.996 20 10 FFCDRN Cc1ccsc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2O)n1 ZINC000810315205 741407915 /nfs/dbraw/zinc/40/79/15/741407915.db2.gz YHXXWOMFPLRMLR-UHFFFAOYSA-N 0 0 351.409 2.851 20 10 FFCDRN COC(=O)Cc1occc1C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000811528787 741534655 /nfs/dbraw/zinc/53/46/55/741534655.db2.gz IBXNDWFGCMKTJX-UHFFFAOYSA-N 0 0 358.177 2.938 20 10 FFCDRN C/C(C=C1C(=O)N(C)C(=O)N(C)C1=O)=C\c1ccccc1OC(F)F ZINC000811684815 741548084 /nfs/dbraw/zinc/54/80/84/741548084.db2.gz DBOIYNYWQAEDEM-CSKARUKUSA-N 0 0 350.321 2.668 20 10 FFCDRN O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc3nonc32)c1Cl ZINC000811831599 741564835 /nfs/dbraw/zinc/56/48/35/741564835.db2.gz FNKYANBFPMIVHD-UHFFFAOYSA-N 0 0 354.731 2.585 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NOC/C=C/Cl)cc2F)C[C@H](C)O1 ZINC000811864500 741568795 /nfs/dbraw/zinc/56/87/95/741568795.db2.gz BTSVSXKIHXGWQX-IPBFNNSJSA-N 0 0 371.840 2.923 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](O)c1ccc(Cl)cc1F ZINC000813513979 741728704 /nfs/dbraw/zinc/72/87/04/741728704.db2.gz VYVGYLDGVOGCQE-XXFAHNHDSA-N 0 0 353.777 2.671 20 10 FFCDRN O=S(=O)(NCc1ccccc1O)c1cccc(OC(F)(F)F)c1F ZINC000813671975 741746926 /nfs/dbraw/zinc/74/69/26/741746926.db2.gz VAHVAMYGZVRZPE-UHFFFAOYSA-N 0 0 365.304 2.908 20 10 FFCDRN CN(Cc1cc2c(cc1O)CCCC2)Cc1ccccc1S(N)(=O)=O ZINC000814232262 741805015 /nfs/dbraw/zinc/80/50/15/741805015.db2.gz PKKREAXTTUSIOZ-UHFFFAOYSA-N 0 0 360.479 2.550 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H](OC)C3)CC2)cc1F ZINC000814411117 741823310 /nfs/dbraw/zinc/82/33/10/741823310.db2.gz QXDVVTYGNISOBA-GDBMZVCRSA-N 0 0 350.434 2.688 20 10 FFCDRN O=C1N=C(SC[C@@H](O)CO)S/C1=C\c1csc2ccccc12 ZINC000814773256 741863462 /nfs/dbraw/zinc/86/34/62/741863462.db2.gz PPNKDMVRHUTTDF-JHXMEDKLSA-N 0 0 351.474 2.958 20 10 FFCDRN NS(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc2ccccc2c1O ZINC000816477934 742032159 /nfs/dbraw/zinc/03/21/59/742032159.db2.gz OKEKDLQFECCPIE-UHFFFAOYSA-N 0 0 354.431 2.756 20 10 FFCDRN O=S(=O)(NC1CCCC1)C1CN(Cc2ccc3ccccc3c2O)C1 ZINC000816566968 742042760 /nfs/dbraw/zinc/04/27/60/742042760.db2.gz MPIFKHNEKMAARA-UHFFFAOYSA-N 0 0 360.479 2.592 20 10 FFCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3cnn4c3OCCC4)cc12 ZINC000817152009 742097450 /nfs/dbraw/zinc/09/74/50/742097450.db2.gz JVRKADFFAJFNHX-UHFFFAOYSA-N 0 0 361.423 2.542 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000817556758 742167851 /nfs/dbraw/zinc/16/78/51/742167851.db2.gz KCRCYEVLHGZYCN-XQQFMLRXSA-N 0 0 351.830 2.983 20 10 FFCDRN CCN(Cc1occc1C)C(=O)C(=O)NCCCSc1nccs1 ZINC000817822346 742215965 /nfs/dbraw/zinc/21/59/65/742215965.db2.gz CSTINNJEIAFITJ-UHFFFAOYSA-N 0 0 367.496 2.692 20 10 FFCDRN COC(=O)CCCCCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817907686 742222005 /nfs/dbraw/zinc/22/20/05/742222005.db2.gz HKEYGGZIAZPIET-UHFFFAOYSA-N 0 0 361.467 2.779 20 10 FFCDRN COC(=O)CCN(C(=O)c1csc(Cc2ccc(N)cc2)n1)C(C)C ZINC000817997132 742227401 /nfs/dbraw/zinc/22/74/01/742227401.db2.gz MDZOHNNDTRUUKX-UHFFFAOYSA-N 0 0 361.467 2.730 20 10 FFCDRN CNc1snc(C)c1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819580696 742410957 /nfs/dbraw/zinc/41/09/57/742410957.db2.gz NOJUKMMMIUDNPV-ZDUSSCGKSA-N 0 0 360.483 2.758 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1sc(CC)nc1C ZINC000819696422 742424689 /nfs/dbraw/zinc/42/46/89/742424689.db2.gz TXIFUCYHGVDFGO-UHFFFAOYSA-N 0 0 362.451 2.925 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3cccc(F)c3)C2)cc1 ZINC000819891055 742440427 /nfs/dbraw/zinc/44/04/27/742440427.db2.gz XHEKEVSGGKDBBR-AWEZNQCLSA-N 0 0 364.442 2.639 20 10 FFCDRN Cc1nc[nH]c1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000820353437 742494660 /nfs/dbraw/zinc/49/46/60/742494660.db2.gz YHAHYBVSWQAOCC-GFCCVEGCSA-N 0 0 350.369 2.718 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCOCCF ZINC000824324819 743056207 /nfs/dbraw/zinc/05/62/07/743056207.db2.gz AVUZANSTUOCPSG-UHFFFAOYSA-N 0 0 363.227 2.672 20 10 FFCDRN CC(C)(C)C(=O)N1CCN(Cc2ccc(Br)cc2O)CC1 ZINC000824556270 743104076 /nfs/dbraw/zinc/10/40/76/743104076.db2.gz OGQSUPHIJBTDIK-UHFFFAOYSA-N 0 0 355.276 2.845 20 10 FFCDRN CCN(CCSC)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000825821285 743331111 /nfs/dbraw/zinc/33/11/11/743331111.db2.gz PLOPKBYAWOCBRC-UHFFFAOYSA-N 0 0 369.506 2.681 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C)c1 ZINC000825838705 743332900 /nfs/dbraw/zinc/33/29/00/743332900.db2.gz FXBMFUZAPWWDIZ-HNNXBMFYSA-N 0 0 350.459 2.594 20 10 FFCDRN CCOC(=O)C1([S@@](C)=O)CCN(Cc2cc(Cl)c(C)cc2O)CC1 ZINC000826036402 743359316 /nfs/dbraw/zinc/35/93/16/743359316.db2.gz ICORUZWTOCSLFD-XMMPIXPASA-N 0 0 373.902 2.630 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)CCC[C@@H]2CCOC2)cc1 ZINC000827019321 743489888 /nfs/dbraw/zinc/48/98/88/743489888.db2.gz OBDLVYXJZGJGGY-QGZVFWFLSA-N 0 0 366.527 2.864 20 10 FFCDRN CCS[C@@H](C)c1noc(CN(C)C(=O)c2c(F)ccc(O)c2O)n1 ZINC000827041033 743493314 /nfs/dbraw/zinc/49/33/14/743493314.db2.gz CKLINJNCKVVNMZ-QMMMGPOBSA-N 0 0 355.391 2.706 20 10 FFCDRN CC(C)C[C@H](CNC(=O)C1=CC(=O)CS1)NC(=O)C1=CC(=O)CS1 ZINC000827125683 743513028 /nfs/dbraw/zinc/51/30/28/743513028.db2.gz OOLBMRAKTVESLC-SNVBAGLBSA-N 0 0 368.480 2.795 20 10 FFCDRN C[C@H](O)C1([NH2+]Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000827585918 743606514 /nfs/dbraw/zinc/60/65/14/743606514.db2.gz RGLLONDQLSLMMJ-ZETCQYMHSA-N 0 0 365.065 2.920 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(N3CCOC3=O)CC2)c1 ZINC000827741728 744969069 /nfs/dbraw/zinc/96/90/69/744969069.db2.gz ZUVYZKSTXZARER-UHFFFAOYSA-N 0 0 369.259 2.880 20 10 FFCDRN COc1c(O)c(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000827785416 744977309 /nfs/dbraw/zinc/97/73/09/744977309.db2.gz BTTHZFMGPKIWTJ-GXSJLCMTSA-N 0 0 364.320 2.851 20 10 FFCDRN COc1c(O)c(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000827785423 744977360 /nfs/dbraw/zinc/97/73/60/744977360.db2.gz BTTHZFMGPKIWTJ-ONGXEEELSA-N 0 0 364.320 2.851 20 10 FFCDRN COC(=O)NC1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000827928871 745002896 /nfs/dbraw/zinc/00/28/96/745002896.db2.gz AFVOPWWNUWIQBW-UHFFFAOYSA-N 0 0 357.248 2.784 20 10 FFCDRN Cn1cc(-c2cc3c(nn2)CC[N@H+](Cc2cccc(Cl)c2[O-])C3)cn1 ZINC000828103861 745028106 /nfs/dbraw/zinc/02/81/06/745028106.db2.gz CDRSNMYZWZXQNB-UHFFFAOYSA-N 0 0 355.829 2.794 20 10 FFCDRN Cc1cc(CN2C[C@H](C)S(=O)(=O)[C@@H](C)C2)ccc1N1CCCCC1 ZINC000829967347 745286266 /nfs/dbraw/zinc/28/62/66/745286266.db2.gz IUXAKRREZMDMFG-IRXDYDNUSA-N 0 0 350.528 2.993 20 10 FFCDRN COc1ccccc1C(F)(F)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000831924909 745606423 /nfs/dbraw/zinc/60/64/23/745606423.db2.gz OFPDJZASIPRIJI-NSHDSACASA-N 0 0 351.349 2.946 20 10 FFCDRN C[C@@H](CCCNC(=O)C1=CC(=O)CS1)NC(=O)C1=CC(=O)CS1 ZINC000832950290 745767443 /nfs/dbraw/zinc/76/74/43/745767443.db2.gz XDYYNKACOXFRNA-VIFPVBQESA-N 0 0 354.453 2.549 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1[O-] ZINC000834881631 745918670 /nfs/dbraw/zinc/91/86/70/745918670.db2.gz CLKKQGNUYONPOF-GFCCVEGCSA-N 0 0 352.431 2.632 20 10 FFCDRN C[C@@H]([NH2+]CCN1C[C@H]2CC[C@@H](C1)O2)c1cc(Br)c(F)cc1[O-] ZINC000834892309 745921135 /nfs/dbraw/zinc/92/11/35/745921135.db2.gz QZJBNHKMLFNGRB-UTUOFQBUSA-N 0 0 373.266 2.808 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)F ZINC000836507712 746241807 /nfs/dbraw/zinc/24/18/07/746241807.db2.gz BPNWVMJVAATSRL-CQSZACIVSA-N 0 0 359.392 2.630 20 10 FFCDRN COc1ccc(CNC(=O)NCc2cccc(C(F)(F)F)n2)c(O)c1 ZINC000836548398 746251651 /nfs/dbraw/zinc/25/16/51/746251651.db2.gz RFYLQEDFFZZJOE-UHFFFAOYSA-N 0 0 355.316 2.814 20 10 FFCDRN C[NH+](C)CCn1nccc1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000836700675 746287986 /nfs/dbraw/zinc/28/79/86/746287986.db2.gz RXZXLKPIDYNZFB-UHFFFAOYSA-N 0 0 372.256 2.779 20 10 FFCDRN C[C@H]1CCC[C@@]1(O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000837652380 746492846 /nfs/dbraw/zinc/49/28/46/746492846.db2.gz WVGKQLZDAZLLMX-HNAYVOBHSA-N 0 0 363.527 2.590 20 10 FFCDRN CCCCO[C@@H](C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837708967 746503311 /nfs/dbraw/zinc/50/33/11/746503311.db2.gz YZRMQFPTXPQKRP-ZDUSSCGKSA-N 0 0 356.413 2.623 20 10 FFCDRN CCCCO[C@H](C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837708963 746503535 /nfs/dbraw/zinc/50/35/35/746503535.db2.gz YZRMQFPTXPQKRP-CYBMUJFWSA-N 0 0 356.413 2.623 20 10 FFCDRN Cc1coc(C)c1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837713779 746504794 /nfs/dbraw/zinc/50/47/94/746504794.db2.gz GIVHRZQJDPLKLM-UHFFFAOYSA-N 0 0 350.365 2.941 20 10 FFCDRN CC[C@@H](CC(F)F)C(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000838404637 746631899 /nfs/dbraw/zinc/63/18/99/746631899.db2.gz NCEQHMKMHYFQED-AWEZNQCLSA-N 0 0 356.413 2.936 20 10 FFCDRN CC[C@H](COCC(F)(F)F)NC(=O)NCc1cc(OC)ccc1O ZINC000838474145 746646471 /nfs/dbraw/zinc/64/64/71/746646471.db2.gz GCQXDCIIZJRFQG-LLVKDONJSA-N 0 0 350.337 2.558 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@@H+](C)C(C)(C)CN2CCOCC2)c1[O-] ZINC000839672986 746887908 /nfs/dbraw/zinc/88/79/08/746887908.db2.gz BXRVAMXWMSVHNY-UHFFFAOYSA-N 0 0 354.878 2.791 20 10 FFCDRN COc1cc(CN2CCN(C(=O)c3cscn3)[C@@H](C)C2)c(O)cc1C ZINC000840153153 747021296 /nfs/dbraw/zinc/02/12/96/747021296.db2.gz PKJIONTUINRBFP-ZDUSSCGKSA-N 0 0 361.467 2.512 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1csnn1 ZINC000840259582 747050808 /nfs/dbraw/zinc/05/08/08/747050808.db2.gz YSARWOVGCBKXEI-GFCCVEGCSA-N 0 0 363.512 2.652 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@](C)(O)C(F)(F)F ZINC000840481767 747103931 /nfs/dbraw/zinc/10/39/31/747103931.db2.gz NGHBOGFONUIFRL-MLGOLLRUSA-N 0 0 361.408 2.605 20 10 FFCDRN COCc1cc(O)ccc1NS(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000840917584 747224638 /nfs/dbraw/zinc/22/46/38/747224638.db2.gz KUJAXTROUOWODU-UHFFFAOYSA-N 0 0 361.419 2.858 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O)cc1 ZINC000841380529 747329856 /nfs/dbraw/zinc/32/98/56/747329856.db2.gz XDCKRGMSEVCSMF-HUUCEWRRSA-N 0 0 354.516 2.560 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3SCCCS3)CC2)cc1F ZINC000841404499 747339312 /nfs/dbraw/zinc/33/93/12/747339312.db2.gz FIUKETJMVNLAOO-UHFFFAOYSA-N 0 0 356.488 2.679 20 10 FFCDRN COc1ccccc1S(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841568554 747405277 /nfs/dbraw/zinc/40/52/77/747405277.db2.gz BQLHPXVCGYJPFY-OAHLLOKOSA-N 0 0 362.495 2.979 20 10 FFCDRN CSCC[C@@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000841795524 747461843 /nfs/dbraw/zinc/46/18/43/747461843.db2.gz SAFJCSXRAYRKFY-CQSZACIVSA-N 0 0 367.471 2.881 20 10 FFCDRN CO[C@@H]1C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C12CCC2 ZINC000842260847 747559675 /nfs/dbraw/zinc/55/96/75/747559675.db2.gz KUINZAUKFJXGNH-HUUCEWRRSA-N 0 0 364.829 2.767 20 10 FFCDRN CN(C)c1ccc(C[NH2+]CC2(C(=O)[O-])CCOCC2)c(C(F)(F)F)c1 ZINC000843040612 747753950 /nfs/dbraw/zinc/75/39/50/747753950.db2.gz KQUJPLULABOSOJ-UHFFFAOYSA-N 0 0 360.376 2.742 20 10 FFCDRN CN(Cc1cc(Br)cc(Br)c1[O-])[C@@H]1CC[NH2+]C1 ZINC000843049791 747756049 /nfs/dbraw/zinc/75/60/49/747756049.db2.gz VSHOTAATFRXGPU-SNVBAGLBSA-N 0 0 364.081 2.711 20 10 FFCDRN Cc1cc(C(=O)N2CCNC[C@H]2C(F)F)c(C)n1-c1ccc(F)cc1 ZINC000843480286 747842578 /nfs/dbraw/zinc/84/25/78/747842578.db2.gz HBKWBEPNBGJLSZ-INIZCTEOSA-N 0 0 351.372 2.912 20 10 FFCDRN Cc1cc(C(=O)NC2(CO)CC2)c(C)n1-c1ccc(Br)cn1 ZINC000843837820 747908182 /nfs/dbraw/zinc/90/81/82/747908182.db2.gz FTTMUMSMYSHMAS-UHFFFAOYSA-N 0 0 364.243 2.506 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 ZINC000843880475 747919198 /nfs/dbraw/zinc/91/91/98/747919198.db2.gz PZWKFLXHRPKKLY-DNVCBOLYSA-N 0 0 362.495 2.975 20 10 FFCDRN C[C@H](C[C@@H](C)NC(=O)c1c(F)ccc(O)c1O)NC(=O)OC(C)(C)C ZINC000844145670 747978629 /nfs/dbraw/zinc/97/86/29/747978629.db2.gz CDSOJWKKXWULAP-NXEZZACHSA-N 0 0 356.394 2.659 20 10 FFCDRN CCOC(=O)c1nc(CN(C)CCN(C)c2ccc(OC)cc2)cs1 ZINC000844399675 748021066 /nfs/dbraw/zinc/02/10/66/748021066.db2.gz MLJQJZJLWXURQM-UHFFFAOYSA-N 0 0 363.483 2.897 20 10 FFCDRN Cc1cc(C(=O)CN2C[C@@H]3C[C@H]2C[S@]3=O)c(C)n1-c1cccc(C)c1 ZINC000844433727 748028656 /nfs/dbraw/zinc/02/86/56/748028656.db2.gz PHBQIANERPERGO-DPOKWSEZSA-N 0 0 356.491 2.790 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@H](C)CC(C)(C)OC)cc1 ZINC000845017596 748162109 /nfs/dbraw/zinc/16/21/09/748162109.db2.gz WJSQZMGAGOABGY-OAHLLOKOSA-N 0 0 351.491 2.976 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCCc2cnc(C)s2)cc1 ZINC000845064633 748172382 /nfs/dbraw/zinc/17/23/82/748172382.db2.gz KDMPJFQDTUTDQO-UHFFFAOYSA-N 0 0 362.499 2.780 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CCCC(F)(F)C3)C2)cc1 ZINC000845269268 748215986 /nfs/dbraw/zinc/21/59/86/748215986.db2.gz RIRXQRAQKDYSHB-AWEZNQCLSA-N 0 0 353.413 2.962 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(C)(C)CNC(C)=O ZINC000845805943 748327967 /nfs/dbraw/zinc/32/79/67/748327967.db2.gz QDBAKDNHTLQJHH-UHFFFAOYSA-N 0 0 371.275 2.666 20 10 FFCDRN CO[C@@H](CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)C(F)(F)F ZINC000845859409 748338147 /nfs/dbraw/zinc/33/81/47/748338147.db2.gz WWGMLQGGAROERS-ZFWWWQNUSA-N 0 0 361.360 2.867 20 10 FFCDRN Oc1ccc(Br)cc1CN1CCn2c(CC3CC3)nnc2C1 ZINC000846013665 748382670 /nfs/dbraw/zinc/38/26/70/748382670.db2.gz KFNXMTUFEQDABX-UHFFFAOYSA-N 0 0 363.259 2.715 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2c(F)ccc(O)c2F)cc1 ZINC000846442164 748480201 /nfs/dbraw/zinc/48/02/01/748480201.db2.gz KXEVKXDLXIHEGY-UHFFFAOYSA-N 0 0 350.365 2.887 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@H]1CSCN1C(=O)C1CCCC1 ZINC000846471978 748487049 /nfs/dbraw/zinc/48/70/49/748487049.db2.gz DTKKSDTVCXGUSE-CQSZACIVSA-N 0 0 368.886 2.754 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000846473183 748487671 /nfs/dbraw/zinc/48/76/71/748487671.db2.gz QODXFKWIHRTPGF-INIZCTEOSA-N 0 0 358.825 2.967 20 10 FFCDRN CN(Cc1nnn(CC(F)(F)F)n1)c1ccc(-c2nccs2)cc1 ZINC000846997286 748594880 /nfs/dbraw/zinc/59/48/80/748594880.db2.gz WKUKJUBYUWHNAX-UHFFFAOYSA-N 0 0 354.361 2.995 20 10 FFCDRN COc1cc(Br)cc([C@H](C)N[C@H](C)c2ncnn2C)c1O ZINC000848548277 748956426 /nfs/dbraw/zinc/95/64/26/748956426.db2.gz YXDSNGDITYCMTE-DTWKUNHWSA-N 0 0 355.236 2.704 20 10 FFCDRN C[C@H](NCc1nnn(C(C)(C)C)n1)c1ccc(Br)cc1O ZINC000848561047 748960460 /nfs/dbraw/zinc/96/04/60/748960460.db2.gz ONQXGEHAKOCXHM-VIFPVBQESA-N 0 0 354.252 2.747 20 10 FFCDRN CN(C)c1ccc(CNCc2nnn(C(C)(C)C)n2)c(C(F)(F)F)c1 ZINC000848562492 748961570 /nfs/dbraw/zinc/96/15/70/748961570.db2.gz 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CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cnc2n1CCOC2 ZINC000819978600 1008258005 /nfs/dbraw/zinc/25/80/05/1008258005.db2.gz DYXFMESWRUSKRH-UHFFFAOYSA-N 0 0 354.454 2.676 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNc3ccc4nnc(C5CC5)n4n3)C2)cc1 ZINC000819936354 1008259726 /nfs/dbraw/zinc/25/97/26/1008259726.db2.gz SJSMCTTYZCAVBI-AWEZNQCLSA-N 0 0 364.453 2.949 20 10 FFCDRN CCc1nnc2ccc(NC[C@@H]3CCN(c4ccc(OC)cc4)C3)nn21 ZINC000819933926 1008260055 /nfs/dbraw/zinc/26/00/55/1008260055.db2.gz ASAKYKROBWDBBW-AWEZNQCLSA-N 0 0 352.442 2.634 20 10 FFCDRN Cc1nnnn1-c1cccc(NC(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000115755854 1008263112 /nfs/dbraw/zinc/26/31/12/1008263112.db2.gz SRACOXZBLBMEEU-UHFFFAOYSA-N 0 0 365.441 2.667 20 10 FFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)[C@H]1CCCC12OCCO2 ZINC000820005789 1008263758 /nfs/dbraw/zinc/26/37/58/1008263758.db2.gz CQBHRUPKCVEUBU-CQSZACIVSA-N 0 0 364.405 2.878 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCc2ccccc2CN2CCCC2=O)c1 ZINC000858119604 1008305037 /nfs/dbraw/zinc/30/50/37/1008305037.db2.gz KSSVDLQGABIBHI-UHFFFAOYSA-N 0 0 367.449 2.822 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C2(NC(=O)OCc3ccccc3)CC2)cc1 ZINC000858161706 1008314798 /nfs/dbraw/zinc/31/47/98/1008314798.db2.gz XFVQBHUHCPWVEL-UHFFFAOYSA-N 0 0 367.449 2.828 20 10 FFCDRN Cc1cc(CNC(=O)N[C@H]2CCCN(C)C2=O)c(C)n1-c1ccccc1 ZINC000858285421 1008339935 /nfs/dbraw/zinc/33/99/35/1008339935.db2.gz LVWMFMPBNMPPHS-SFHVURJKSA-N 0 0 354.454 2.514 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](C)Cn1cccn1 ZINC000858446808 1008362087 /nfs/dbraw/zinc/36/20/87/1008362087.db2.gz NAULOZZKULRYCA-CQSZACIVSA-N 0 0 350.422 2.922 20 10 FFCDRN Cc1cc(CNC(=O)N[C@@H]2CC[C@H](C(N)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000858525982 1008375070 /nfs/dbraw/zinc/37/50/70/1008375070.db2.gz PRUFKUMDEXKGJZ-FUHWJXTLSA-N 0 0 368.481 2.856 20 10 FFCDRN Cc1cc(CNC(=O)NCCCc2ncn(C)n2)c(C)n1-c1ccccc1 ZINC000858571472 1008383579 /nfs/dbraw/zinc/38/35/79/1008383579.db2.gz GCJGOHHMHZDOLP-UHFFFAOYSA-N 0 0 366.469 2.655 20 10 FFCDRN CCO[C@H](C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1)C1CC1 ZINC000858626241 1008393862 /nfs/dbraw/zinc/39/38/62/1008393862.db2.gz WMXDSDQXAZXKMO-NJSLBKSFSA-N 0 0 364.461 2.871 20 10 FFCDRN COC(=O)[C@@H]1CCN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)C1 ZINC000858638311 1008395317 /nfs/dbraw/zinc/39/53/17/1008395317.db2.gz MJRUYKKPCQFVKZ-MRXNPFEDSA-N 0 0 354.406 2.542 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2c(C(F)(F)F)cnn2C)cc1F ZINC000858687870 1008404323 /nfs/dbraw/zinc/40/43/23/1008404323.db2.gz VILVJWIZLHGORF-UHFFFAOYSA-N 0 0 373.354 2.643 20 10 FFCDRN CCOC(=O)C1=CC[C@H](NC(=O)NCc2c(O)ccc3c2CCCC3)C1 ZINC000858789105 1008424381 /nfs/dbraw/zinc/42/43/81/1008424381.db2.gz KMJHEWIKRUENPI-HNNXBMFYSA-N 0 0 358.438 2.722 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)Nc3ccc4nccn4c3)C2)cc1 ZINC000821202946 1008429699 /nfs/dbraw/zinc/42/96/99/1008429699.db2.gz XWRFVCYZBYIMSN-HNNXBMFYSA-N 0 0 351.410 2.743 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(N2CCCC2=O)c1 ZINC000858826953 1008431884 /nfs/dbraw/zinc/43/18/84/1008431884.db2.gz SJYUSKKFJHMKMR-UHFFFAOYSA-N 0 0 366.465 2.937 20 10 FFCDRN Cc1cc(CNC(=O)N2CCC(C(N)=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000858905969 1008447308 /nfs/dbraw/zinc/44/73/08/1008447308.db2.gz GOJBLNWQENAYNQ-UHFFFAOYSA-N 0 0 368.481 2.809 20 10 FFCDRN Cc1cc(CNC(=O)N[C@@H](CO)[C@H]2CCCOC2)c(C)n1-c1ccccc1 ZINC000858906072 1008447395 /nfs/dbraw/zinc/44/73/95/1008447395.db2.gz HHRWDONXQVYKPN-PXNSSMCTSA-N 0 0 371.481 2.681 20 10 FFCDRN Cc1cc(CNC(=O)N(C)Cc2nc[nH]n2)c(C)n1-c1cccc(C)c1 ZINC000858904062 1008447418 /nfs/dbraw/zinc/44/74/18/1008447418.db2.gz IMTWCNINKNKFRU-UHFFFAOYSA-N 0 0 352.442 2.862 20 10 FFCDRN Cc1cc(CNC(=O)N2C[C@@H]3C[C@H]2C[S@@]3=O)c(C)n1-c1cccc(C)c1 ZINC000858904081 1008447514 /nfs/dbraw/zinc/44/75/14/1008447514.db2.gz JCXMALPTPWFCAM-DGUDUIIESA-N 0 0 371.506 2.817 20 10 FFCDRN Cc1cc(CNC(=O)N2CC[C@@H](CC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000858907021 1008447959 /nfs/dbraw/zinc/44/79/59/1008447959.db2.gz RNZUCNCNATYRCP-INIZCTEOSA-N 0 0 354.454 2.501 20 10 FFCDRN CCCOC(=O)NCc1ccc(N2CCN(c3ncccn3)CC2)c(F)c1 ZINC000858915036 1008449735 /nfs/dbraw/zinc/44/97/35/1008449735.db2.gz KUFCMJSPGITIAA-UHFFFAOYSA-N 0 0 373.432 2.579 20 10 FFCDRN COc1ccc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c(OC)c1 ZINC001136453081 1008469874 /nfs/dbraw/zinc/46/98/74/1008469874.db2.gz SPEMCDCWFCOCFS-UHFFFAOYSA-N 0 0 356.382 2.839 20 10 FFCDRN CCCN(CC(F)(F)F)C(=O)CN1CCN(c2ccc(OC)cc2)CC1 ZINC000859054642 1008470124 /nfs/dbraw/zinc/47/01/24/1008470124.db2.gz BJMMNTYGBBAEPE-UHFFFAOYSA-N 0 0 373.419 2.618 20 10 FFCDRN COC(=O)c1cnc(CN(C)Cc2ccc(N3CCCCC3)cc2)cn1 ZINC000859060380 1008470994 /nfs/dbraw/zinc/47/09/94/1008470994.db2.gz QTQUJUYENXZEDK-UHFFFAOYSA-N 0 0 354.454 2.886 20 10 FFCDRN Cc1ccc(NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(C)n1 ZINC000821826299 1008496776 /nfs/dbraw/zinc/49/67/76/1008496776.db2.gz KEXZKAAESVCXPP-UHFFFAOYSA-N 0 0 354.454 2.981 20 10 FFCDRN C[C@@H](NC(=O)N1CCC(Cn2ccnn2)CC1)c1ccc(N(C)C)cc1 ZINC000773624827 1008520538 /nfs/dbraw/zinc/52/05/38/1008520538.db2.gz LGBBUOHFIAVUGK-OAHLLOKOSA-N 0 0 356.474 2.527 20 10 FFCDRN COc1ccccc1[C@H](CO)NC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773629703 1008537377 /nfs/dbraw/zinc/53/73/77/1008537377.db2.gz SDKWJOZPWZNEAA-KSSFIOAISA-N 0 0 357.454 2.855 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3coc4c3C(=O)CCC4)CC2)cc1 ZINC000822197284 1008538011 /nfs/dbraw/zinc/53/80/11/1008538011.db2.gz ULJVCFRJCDZSCG-UHFFFAOYSA-N 0 0 354.406 2.770 20 10 FFCDRN Cc1[nH]nc(C(C)C)c1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000136710339 1008548749 /nfs/dbraw/zinc/54/87/49/1008548749.db2.gz INDXSQZKXSQRIT-UHFFFAOYSA-N 0 0 370.497 2.980 20 10 FFCDRN CCC(=O)N1CSC[C@H]1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000136908869 1008554762 /nfs/dbraw/zinc/55/47/62/1008554762.db2.gz OOXOLSABEFIFPW-INIZCTEOSA-N 0 0 374.462 2.826 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H]2COc3cc(F)ccc3C2)c1 ZINC000822512370 1008661886 /nfs/dbraw/zinc/66/18/86/1008661886.db2.gz BPZODQANIQMDKK-BXUZGUMPSA-N 0 0 360.385 2.904 20 10 FFCDRN CCOC(=O)CN(Cc1ccc(-n2cncn2)cc1)Cc1ccccc1O ZINC000822511971 1008662702 /nfs/dbraw/zinc/66/27/02/1008662702.db2.gz PUYGHOLKLJCHHV-UHFFFAOYSA-N 0 0 366.421 2.538 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCc3c(C)noc3C)C2)cc1 ZINC000822775112 1008774583 /nfs/dbraw/zinc/77/45/83/1008774583.db2.gz KKGQKQAJDSBLKO-OAHLLOKOSA-N 0 0 358.442 2.626 20 10 FFCDRN C[C@@H]1CCC[C@H](C)[C@@]12NC(=O)N(CN(C)Cc1ccc(N(C)C)cc1)C2=O ZINC000886615528 1008774668 /nfs/dbraw/zinc/77/46/68/1008774668.db2.gz IEKMFJQOMDXBCR-JIPZTSHUSA-N 0 0 372.513 2.889 20 10 FFCDRN COC(=O)C(C)(C)CNC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC000860000801 1008774779 /nfs/dbraw/zinc/77/47/79/1008774779.db2.gz QCDCELGAKTUUAV-UHFFFAOYSA-N 0 0 370.449 2.765 20 10 FFCDRN Cc1nn(C)cc1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000822883847 1008792252 /nfs/dbraw/zinc/79/22/52/1008792252.db2.gz RPIGVUHBKCMONQ-HXUWFJFHSA-N 0 0 370.497 2.545 20 10 FFCDRN C/C(=C/C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1ccco1 ZINC000822938866 1008825929 /nfs/dbraw/zinc/82/59/29/1008825929.db2.gz ZUNIHNXGARKMDS-MLRPBERTSA-N 0 0 367.449 2.701 20 10 FFCDRN Cc1cc(C(=O)CN2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1ccccc1C ZINC000860165081 1008868410 /nfs/dbraw/zinc/86/84/10/1008868410.db2.gz NAOMHXZVJPBTMG-SJLPKXTDSA-N 0 0 352.434 2.690 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2nn(CC)nc2C)cc1F ZINC000823006690 1008868210 /nfs/dbraw/zinc/86/82/10/1008868210.db2.gz MOHGVAYTVKBACU-UHFFFAOYSA-N 0 0 362.453 2.591 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000860284652 1008931552 /nfs/dbraw/zinc/93/15/52/1008931552.db2.gz KDMRYXXLXIZVCL-MRXNPFEDSA-N 0 0 362.433 2.917 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)C[C@@H]3CC[C@@H](C4CC4)O3)C2)cc1 ZINC000823199069 1008961097 /nfs/dbraw/zinc/96/10/97/1008961097.db2.gz YMPLHHBWRMCYHV-XPGWFJOJSA-N 0 0 358.482 2.985 20 10 FFCDRN COc1cccc(-c2nc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)no2)c1 ZINC000773741835 1008964160 /nfs/dbraw/zinc/96/41/60/1008964160.db2.gz ZBKASBJKPJHKOG-LLVKDONJSA-N 0 0 369.377 2.517 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@]34CCO[C@H]3CCCC4)C2)cc1 ZINC000823202830 1008964622 /nfs/dbraw/zinc/96/46/22/1008964622.db2.gz YVVUIPCWPAZLBZ-PBEJRMEISA-N 0 0 358.482 2.987 20 10 FFCDRN Cc1ccc(C)c(N2N=C(C(=O)NCc3c(O)cccc3F)CCC2=O)c1 ZINC001178410299 1008983496 /nfs/dbraw/zinc/98/34/96/1008983496.db2.gz PXNAQQMZWVBEOJ-UHFFFAOYSA-N 0 0 369.396 2.947 20 10 FFCDRN CCCc1cc(C(=O)N(CC(=O)OCC)Cc2ccccc2O)cc(=O)[nH]1 ZINC000823271566 1008985133 /nfs/dbraw/zinc/98/51/33/1008985133.db2.gz XSTBXACQDCHYMZ-UHFFFAOYSA-N 0 0 372.421 2.651 20 10 FFCDRN COc1ccc(N2CCN(CCCn3c4ccccc4[nH]c3=O)CC2)cc1 ZINC000139692008 1008990391 /nfs/dbraw/zinc/99/03/91/1008990391.db2.gz ALJKCCAUYMSZMJ-UHFFFAOYSA-N 0 0 366.465 2.551 20 10 FFCDRN Cc1ccnc(C)c1NC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823305771 1008998278 /nfs/dbraw/zinc/99/82/78/1008998278.db2.gz MNUHDXCSMCYPCE-UHFFFAOYSA-N 0 0 354.454 2.981 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CC(C)(C)NC(=O)OC(C)(C)C ZINC000773748298 1009018690 /nfs/dbraw/zinc/01/86/90/1009018690.db2.gz JODSDMLLXXBBHF-LBPRGKRZSA-N 0 0 366.458 2.838 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@H]3CCO[C@H](C4CC4)C3)C2)cc1 ZINC000823468786 1009079369 /nfs/dbraw/zinc/07/93/69/1009079369.db2.gz KJYNXBYOLIVMEG-SYNHAJSKSA-N 0 0 373.497 2.778 20 10 FFCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)[C@@H]1C1CC1 ZINC000823523470 1009098102 /nfs/dbraw/zinc/09/81/02/1009098102.db2.gz FXCGWWAGYDLKJW-LJQANCHMSA-N 0 0 357.498 2.978 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCc3cccnc3F)C2)cc1 ZINC000823545965 1009098348 /nfs/dbraw/zinc/09/83/48/1009098348.db2.gz JJZKEYTVMPIWLL-AWEZNQCLSA-N 0 0 358.417 2.555 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(-c2cccc(Cl)c2)n1 ZINC000773769422 1009119460 /nfs/dbraw/zinc/11/94/60/1009119460.db2.gz UMTIFHDCOOAZBV-NSHDSACASA-N 0 0 372.812 2.693 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NCC[C@@H]2CCOC2)cc1 ZINC000860774036 1009148028 /nfs/dbraw/zinc/14/80/28/1009148028.db2.gz XYGMPWDSQKYAHS-GOSISDBHSA-N 0 0 354.450 2.992 20 10 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C[C@@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)C1CCC(F)(F)CC1 ZINC001119179687 1022603364 /nfs/dbraw/zinc/60/33/64/1022603364.db2.gz RUBMLNLBCOAWEL-LLVKDONJSA-N 0 0 352.381 2.565 20 10 FFCDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000779002319 1022630554 /nfs/dbraw/zinc/63/05/54/1022630554.db2.gz XHXRCKOLBPKFMD-TZMCWYRMSA-N 0 0 364.442 2.750 20 10 FFCDRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000159295677 1022646548 /nfs/dbraw/zinc/64/65/48/1022646548.db2.gz JBAGBZKRMPLMNX-SJLPKXTDSA-N 0 0 359.514 2.996 20 10 FFCDRN CO[C@H](C)c1noc(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000751930902 1022978500 /nfs/dbraw/zinc/97/85/00/1022978500.db2.gz JTAUMYSBZTWFNY-SNVBAGLBSA-N 0 0 374.422 2.764 20 10 FFCDRN C[C@H]1CCCCN1C(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751932426 1022980313 /nfs/dbraw/zinc/98/03/13/1022980313.db2.gz ZVHNIRWRTSSYGK-ZDUSSCGKSA-N 0 0 373.478 2.874 20 10 FFCDRN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CC[NH2+]CC2(C)C)c1[O-] ZINC001218311229 1033099192 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Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN2CCOC[C@H]2C1 ZINC000756245126 1023687717 /nfs/dbraw/zinc/68/77/17/1023687717.db2.gz FMKUGZJQRAFXIW-GOSISDBHSA-N 0 0 353.466 2.559 20 10 FFCDRN CCCN1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C(C)(C)C1=O ZINC000779341015 1023702157 /nfs/dbraw/zinc/70/21/57/1023702157.db2.gz YPBBVCSQRXBYBU-UHFFFAOYSA-N 0 0 368.481 2.962 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cc(F)cc(F)c1[O-] ZINC000756400980 1023704657 /nfs/dbraw/zinc/70/46/57/1023704657.db2.gz MJLUPDQZNRXYBO-CXAGYDPISA-N 0 0 362.420 2.740 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3ccc(C#N)c(O)c3)CC2)cc1 ZINC000190835722 1023708605 /nfs/dbraw/zinc/70/86/05/1023708605.db2.gz CQUHUUAIOWHKGT-UHFFFAOYSA-N 0 0 351.406 2.625 20 10 FFCDRN C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(F)cc(F)c1[O-] ZINC000756604323 1023734250 /nfs/dbraw/zinc/73/42/50/1023734250.db2.gz MRDGNUCPHZXCHE-VLIAUNLRSA-N 0 0 362.420 2.958 20 10 FFCDRN CCn1cc([N+](=O)[O-])c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000756636525 1023738620 /nfs/dbraw/zinc/73/86/20/1023738620.db2.gz NBLIVBVSTYHKSS-UHFFFAOYSA-N 0 0 357.414 2.682 20 10 FFCDRN Cc1ccccc1Nc1nc(N)nc(CN(C)c2ccc3c(c2)OCO3)n1 ZINC000756654271 1023740928 /nfs/dbraw/zinc/74/09/28/1023740928.db2.gz QALLJELGRBCVME-UHFFFAOYSA-N 0 0 364.409 2.871 20 10 FFCDRN CC(C)(C)OC(=O)N1CCO[C@H]2CC[N@H+](Cc3c([O-])cccc3F)C[C@@H]21 ZINC001137832881 1033166230 /nfs/dbraw/zinc/16/62/30/1033166230.db2.gz KZPMXWNUBJKNAZ-RDJZCZTQSA-N 0 0 366.433 2.742 20 10 FFCDRN Oc1cccc(F)c1CN1CCO[C@]2(CCCN(c3cccnc3)C2)C1 ZINC001137832944 1033166724 /nfs/dbraw/zinc/16/67/24/1033166724.db2.gz NBSITHXHWMMMDH-HXUWFJFHSA-N 0 0 357.429 2.798 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000757864024 1023877389 /nfs/dbraw/zinc/87/73/89/1023877389.db2.gz NYPXJJZWSXAHFN-UHFFFAOYSA-N 0 0 364.409 2.764 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 ZINC000779476892 1023922909 /nfs/dbraw/zinc/92/29/09/1023922909.db2.gz XNYPRDOJEDATCN-YDMXYTAQSA-N 0 0 368.389 2.867 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1ccc(N2C(=O)CCCC2=O)cc1 ZINC000779494924 1023938402 /nfs/dbraw/zinc/93/84/02/1023938402.db2.gz AYKIPXSHICIMDL-WZUFQYTHSA-N 0 0 366.373 2.793 20 10 FFCDRN C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(N2CCOCC2)cc1 ZINC000779503159 1023943657 /nfs/dbraw/zinc/94/36/57/1023943657.db2.gz JDIQUGMTGZEDRK-RUGXIKGKSA-N 0 0 368.433 2.825 20 10 FFCDRN Cc1ccc(CNC(=O)/C=C\c2ccc(O)c(O)c2)c(N2CCOCC2)c1 ZINC000779527112 1023956492 /nfs/dbraw/zinc/95/64/92/1023956492.db2.gz HSYIKDIWDRUGBT-DAXSKMNVSA-N 0 0 368.433 2.572 20 10 FFCDRN CCN(CC)c1ccc(CN(C)c2nnc(C[S@@](C)=O)n2CC)cc1 ZINC001121795672 1024032017 /nfs/dbraw/zinc/03/20/17/1024032017.db2.gz UBMREKXTNJHWBA-RUZDIDTESA-N 0 0 363.531 2.659 20 10 FFCDRN C[C@@H](NC(=O)N1CCC[C@@H]1C(C)(C)O)c1ccc(N2CCOCC2)cc1 ZINC000758409245 1024101835 /nfs/dbraw/zinc/10/18/35/1024101835.db2.gz ZILDHYJDAKXREQ-CRAIPNDOSA-N 0 0 361.486 2.529 20 10 FFCDRN COc1cccc(C(=O)NC2CC[NH+](Cc3c([O-])cccc3F)CC2)c1 ZINC001137841335 1033186798 /nfs/dbraw/zinc/18/67/98/1033186798.db2.gz AZQPBKYDPAWFGK-UHFFFAOYSA-N 0 0 358.413 2.934 20 10 FFCDRN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)COC(=O)c1cccc(O)c1O ZINC000758557902 1024175251 /nfs/dbraw/zinc/17/52/51/1024175251.db2.gz KRVXPKJAVLFRJB-JTQLQIEISA-N 0 0 365.332 2.752 20 10 FFCDRN CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000758774188 1024294113 /nfs/dbraw/zinc/29/41/13/1024294113.db2.gz NMVGWOXRFDGTRM-UHFFFAOYSA-N 0 0 374.418 2.522 20 10 FFCDRN Cc1cc(C(=O)N2CCN(CC(F)(F)F)CC2)c(C)n1-c1ccccn1 ZINC000192880619 1024300731 /nfs/dbraw/zinc/30/07/31/1024300731.db2.gz VFROMHVBNWDKJI-UHFFFAOYSA-N 0 0 366.387 2.809 20 10 FFCDRN CCOC(=O)c1c(NC(=O)C[C@H]2CCNC2=O)sc2c1CC[C@@H](C)C2 ZINC001124202695 1024310297 /nfs/dbraw/zinc/31/02/97/1024310297.db2.gz SCMRQNNBVFAJRB-GHMZBOCLSA-N 0 0 364.467 2.514 20 10 FFCDRN Cc1cccc(NC(=O)C(=O)N(Cc2ccco2)Cc2ccccc2O)n1 ZINC000192987665 1024338666 /nfs/dbraw/zinc/33/86/66/1024338666.db2.gz BEPIMQURYOTRQC-UHFFFAOYSA-N 0 0 365.389 2.856 20 10 FFCDRN CC(C)(C)c1nc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)no1 ZINC000758848294 1024339808 /nfs/dbraw/zinc/33/98/08/1024339808.db2.gz MXNHSYAOUHULJH-AWEZNQCLSA-N 0 0 357.458 2.681 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@H]1CCc2ncncc2C1 ZINC001124549459 1024343157 /nfs/dbraw/zinc/34/31/57/1024343157.db2.gz JGGMVMWKYFKOCB-KRWDZBQOSA-N 0 0 350.466 2.840 20 10 FFCDRN CCc1nc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)sc1C ZINC000193013508 1024348447 /nfs/dbraw/zinc/34/84/47/1024348447.db2.gz MNDSGJJLVWQQTK-UHFFFAOYSA-N 0 0 370.478 2.645 20 10 FFCDRN CC[C@@]1(C)NC(=O)N(NC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C1=O ZINC000193153428 1024401991 /nfs/dbraw/zinc/40/19/91/1024401991.db2.gz WWTBSPKPOVZEHW-HXUWFJFHSA-N 0 0 368.437 2.768 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C(C)=O)c(C)c2)c1 ZINC000758989530 1024413694 /nfs/dbraw/zinc/41/36/94/1024413694.db2.gz LCWZPIBAKASDHK-GFCCVEGCSA-N 0 0 370.405 2.728 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@]2(C)Oc3ccccc3NC2=O)cc1 ZINC001125166073 1024422389 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CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(C(C)=O)c1 ZINC000194014538 1024730425 /nfs/dbraw/zinc/73/04/25/1024730425.db2.gz NJICRWSZHMFMTM-UHFFFAOYSA-N 0 0 367.449 2.942 20 10 FFCDRN CCCC1(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)CC1 ZINC000759773633 1024779549 /nfs/dbraw/zinc/77/95/49/1024779549.db2.gz IXWRASBULYKGSW-QGZVFWFLSA-N 0 0 372.513 2.768 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](CNC(C)=O)C2)cc1 ZINC000194462334 1024805078 /nfs/dbraw/zinc/80/50/78/1024805078.db2.gz KXVODTQPWWDIEG-SFHVURJKSA-N 0 0 360.502 2.591 20 10 FFCDRN Cc1cc(CC(=O)NCC2(CS(C)(=O)=O)CC2)c(C)n1-c1ccccc1 ZINC000829644384 1033260674 /nfs/dbraw/zinc/26/06/74/1033260674.db2.gz RUBBHPPNTPXYCK-UHFFFAOYSA-N 0 0 374.506 2.578 20 10 FFCDRN Cc1cc(CC(=O)N[C@H]2CCCC[C@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000829689009 1033285170 /nfs/dbraw/zinc/28/51/70/1033285170.db2.gz GNIJOZSJVFZIQS-MOPGFXCFSA-N 0 0 353.466 2.797 20 10 FFCDRN CCOC[C@H]1CN(Cc2ccc3c(c2)OCCN3C)Cc2cn(CC)nc21 ZINC001141141880 1025509963 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FFCDRN O=[N+]([O-])c1ccc(OC2CN(Cc3ccc(N4CCOCC4)cc3)C2)cc1 ZINC000839145958 1026604062 /nfs/dbraw/zinc/60/40/62/1026604062.db2.gz XJMDUPCTMVSCND-UHFFFAOYSA-N 0 0 369.421 2.695 20 10 FFCDRN C[C@@H]1C[C@H](C)CN(C(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000839240974 1026629595 /nfs/dbraw/zinc/62/95/95/1026629595.db2.gz ZTIPCGIRJNBKIL-IYBDPMFKSA-N 0 0 357.498 2.748 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000839274037 1026638472 /nfs/dbraw/zinc/63/84/72/1026638472.db2.gz XCUDDIWSWDYCEL-WHEACTPUSA-N 0 0 368.477 2.801 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCc4ccccc4O3)CC2)cc1 ZINC000839459745 1026684547 /nfs/dbraw/zinc/68/45/47/1026684547.db2.gz RPJAJHYPYZXFSP-FQEVSTJZSA-N 0 0 352.434 2.738 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)C[C@@H](C)c3cnn(C)c3)CC2)cc1 ZINC000839628738 1026766292 /nfs/dbraw/zinc/76/62/92/1026766292.db2.gz YROWHMNVUCDFJX-OAHLLOKOSA-N 0 0 356.470 2.708 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)Nc1cnn(C(C)C)c1 ZINC000839633649 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COc1ccc2c(c1)c1c(n2CC(=O)NCCc2cnoc2)CCCC1 ZINC000640712080 1026901006 /nfs/dbraw/zinc/90/10/06/1026901006.db2.gz PEHMYZPYMFUCON-UHFFFAOYSA-N 0 0 353.422 2.876 20 10 FFCDRN Cc1nccn1CCCNC(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840260168 1027024065 /nfs/dbraw/zinc/02/40/65/1027024065.db2.gz JJNPDBXHAJHWTP-MRXNPFEDSA-N 0 0 357.502 2.886 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@H](CO)c2ccc(F)cc2)cc1F ZINC000840281379 1027032480 /nfs/dbraw/zinc/03/24/80/1027032480.db2.gz RWOSCCWEIQYLRW-OAHLLOKOSA-N 0 0 363.408 2.606 20 10 FFCDRN CC(=O)NC1CCC(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC000840283541 1027033429 /nfs/dbraw/zinc/03/34/29/1027033429.db2.gz CZYZTSHWRQLWSS-VNCLNFNDSA-N 0 0 374.529 2.739 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000840477955 1027087714 /nfs/dbraw/zinc/08/77/14/1027087714.db2.gz BPTJTXXXOVCFPD-UTKZUKDTSA-N 0 0 369.509 2.895 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N(C[C@H]1CCC(=O)N1)C(C)C ZINC000840484053 1027090563 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O=C(C=Cc1ccc(O)c(O)c1)N1CC[C@@]2(C1)CC(=O)c1ccccc1O2 ZINC001161640598 1028261341 /nfs/dbraw/zinc/26/13/41/1028261341.db2.gz IVCZJUNAHAWQAX-LHFJYWTJSA-N 0 0 365.385 2.748 20 10 FFCDRN CCN(Cc1ccccc1O)c1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC001154890579 1028497926 /nfs/dbraw/zinc/49/79/26/1028497926.db2.gz CPEDZGNXOYGITP-UHFFFAOYSA-N 0 0 361.467 2.598 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H]1CCC(C)(C)CO1 ZINC001162539844 1028573319 /nfs/dbraw/zinc/57/33/19/1028573319.db2.gz NKRAWXNJTGADQS-MRXNPFEDSA-N 0 0 363.454 2.879 20 10 FFCDRN COc1nc(Cl)ccc1NC(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155221601 1028630032 /nfs/dbraw/zinc/63/00/32/1028630032.db2.gz FNIXMMWPLOWKJM-UHFFFAOYSA-N 0 0 362.725 2.514 20 10 FFCDRN O=C(Nc1cccc(-c2nnco2)c1)c1cc2cc(O)c(O)cc2oc1=O ZINC001155227941 1028635088 /nfs/dbraw/zinc/63/50/88/1028635088.db2.gz HQMDGNSMKPKRRG-UHFFFAOYSA-N 0 0 365.301 2.507 20 10 FFCDRN COc1ccc(CNC(=O)c2nc(F)ccc2Br)c(O)c1 ZINC001155573811 1028796775 /nfs/dbraw/zinc/79/67/75/1028796775.db2.gz 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CN(C)c1ccc(Cn2c(C3CC3)nnc2N2CCSCC2)cc1F ZINC001314660225 1044532647 /nfs/dbraw/zinc/53/26/47/1044532647.db2.gz GTVBKVLTIXAOCX-UHFFFAOYSA-N 0 0 361.490 2.962 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(CC2CC2)n1CC[C@H]1CCOC1 ZINC001314752628 1044547893 /nfs/dbraw/zinc/54/78/93/1044547893.db2.gz CGOBMEGKJLGSGQ-INIZCTEOSA-N 0 0 356.470 2.999 20 10 FFCDRN CON(C)c1nnc([C@@H]2CCCCO2)n1Cc1ccc2c(c1)CCCN2C ZINC001316308394 1044756896 /nfs/dbraw/zinc/75/68/96/1044756896.db2.gz IVHOMTPGMVIOJP-SFHVURJKSA-N 0 0 371.485 2.948 20 10 FFCDRN CCN(CC)C(=O)c1ccc(-c2ncnc3c2ccn3CCOC)cn1 ZINC001243766650 1045010668 /nfs/dbraw/zinc/01/06/68/1045010668.db2.gz XHSKSSHQKCLYJS-UHFFFAOYSA-N 0 0 353.426 2.622 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc1 ZINC001319379817 1045130730 /nfs/dbraw/zinc/13/07/30/1045130730.db2.gz ARXOOGLYJKQSLK-GOSISDBHSA-N 0 0 366.461 2.985 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccc4[nH]c(=O)oc4c3)CC2)cc1 ZINC001319626750 1045220139 /nfs/dbraw/zinc/22/01/39/1045220139.db2.gz 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ZINC001321421739 1045658875 /nfs/dbraw/zinc/65/88/75/1045658875.db2.gz UZMYJSISAGANNJ-UHFFFAOYSA-N 0 0 364.396 2.509 20 10 FFCDRN Cc1c2ccccc2oc1CNC(=O)C(=O)N(C)Cc1ccccc1O ZINC001323619607 1045660543 /nfs/dbraw/zinc/66/05/43/1045660543.db2.gz HIIUPQSZELMUDD-UHFFFAOYSA-N 0 0 352.390 2.722 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)NC(C)(C)CF)cc2F)C[C@H](C)O1 ZINC001324083414 1045856829 /nfs/dbraw/zinc/85/68/29/1045856829.db2.gz PIZCHEKEJSRRGY-STQMWFEESA-N 0 0 355.429 2.987 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC(C1CC1)C1CC1 ZINC001321977914 1045899874 /nfs/dbraw/zinc/89/98/74/1045899874.db2.gz ZCCDGJZLFXZBHU-UHFFFAOYSA-N 0 0 357.498 2.794 20 10 FFCDRN CN(C)c1ccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)cc1F ZINC000727657952 1045956215 /nfs/dbraw/zinc/95/62/15/1045956215.db2.gz CVBVGIGHGLZICX-ZSOIEALJSA-N 0 0 354.337 2.965 20 10 FFCDRN COc1ccc(N2CCN(CN3CC[C@@H](c4ccccc4)C3=O)CC2)cc1 ZINC001324989643 1046324204 /nfs/dbraw/zinc/32/42/04/1046324204.db2.gz WJIDYXLOKKORAL-NRFANRHFSA-N 0 0 365.477 2.791 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccc(C(N)=S)cc3)CC2)cc1 ZINC001325107008 1046375606 /nfs/dbraw/zinc/37/56/06/1046375606.db2.gz GODDUUKXPVUFCX-UHFFFAOYSA-N 0 0 369.490 2.682 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1cc2ccccc2o1)c1ccc(N(C)C)cc1 ZINC001325125049 1046383445 /nfs/dbraw/zinc/38/34/45/1046383445.db2.gz FDVQLVAYEAHLPJ-CQSZACIVSA-N 0 0 365.433 2.992 20 10 FFCDRN COc1ccc(CN(C)C(=O)Cc2ccc(O)c(O)c2)cc1OC(F)F ZINC001540145946 1070773138 /nfs/dbraw/zinc/77/31/38/1070773138.db2.gz PZGYURJLOFQZOE-UHFFFAOYSA-N 0 0 367.348 2.909 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)c1 ZINC001325249348 1046436477 /nfs/dbraw/zinc/43/64/77/1046436477.db2.gz FEJAOIGPNCSWED-RDTXWAMCSA-N 0 0 362.857 2.969 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)N(C)Cc2ccsc2)C2CC2)cc1 ZINC001325589416 1046568448 /nfs/dbraw/zinc/56/84/48/1046568448.db2.gz DDEKVYAOTNGVHI-UHFFFAOYSA-N 0 0 371.506 2.964 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2ccc(Cl)s2)cc1 ZINC001325651801 1046595581 /nfs/dbraw/zinc/59/55/81/1046595581.db2.gz VHHHGORDCIDGEP-UHFFFAOYSA-N 0 0 365.886 2.742 20 10 FFCDRN C[C@]1(Cc2ccccc2)CCCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC001326183465 1046798069 /nfs/dbraw/zinc/79/80/69/1046798069.db2.gz SAWQNYPOTGBMRK-JOCHJYFZSA-N 0 0 365.477 2.551 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)c3cnn(C)c3C)C2)cc1 ZINC001326202271 1046809603 /nfs/dbraw/zinc/80/96/03/1046809603.db2.gz WAOCLNXFEBCBEI-HOCLYGCPSA-N 0 0 371.485 2.624 20 10 FFCDRN CN(C)c1ccc(N2CCC(NC(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC001326473160 1046947290 /nfs/dbraw/zinc/94/72/90/1046947290.db2.gz QLOACZAADJYNDK-UHFFFAOYSA-N 0 0 373.428 2.702 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc(-c2ccco2)nn1C ZINC001326928227 1047136736 /nfs/dbraw/zinc/13/67/36/1047136736.db2.gz QBIYMTWDURRDAR-NSHDSACASA-N 0 0 356.382 2.844 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)[C@@H]3CCCc4nn(C)cc43)CC2)cc1 ZINC001326995707 1047155663 /nfs/dbraw/zinc/15/56/63/1047155663.db2.gz SANZHCXOJBZLQJ-GOSISDBHSA-N 0 0 368.481 2.634 20 10 FFCDRN O=C(NC1CCC(C(=O)Nc2c3nonc3ccc2Cl)CC1)C1CC1 ZINC001327162341 1047216992 /nfs/dbraw/zinc/21/69/92/1047216992.db2.gz YUWDFKOLJCYEFJ-UHFFFAOYSA-N 0 0 362.817 2.900 20 10 FFCDRN C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC001327259579 1047261613 /nfs/dbraw/zinc/26/16/13/1047261613.db2.gz BBHOLXTXRRXYTB-IUODEOHRSA-N 0 0 371.403 2.510 20 10 FFCDRN CN(Cc1cnn(Cc2ccccc2)c1)C(=O)Cc1ccc(O)c(O)c1 ZINC001540495064 1070907928 /nfs/dbraw/zinc/90/79/28/1070907928.db2.gz SBAACVAUKIBAPN-UHFFFAOYSA-N 0 0 351.406 2.544 20 10 FFCDRN C/C(=C\C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)c1ccco1 ZINC001331567822 1048011963 /nfs/dbraw/zinc/01/19/63/1048011963.db2.gz LGIVXJNOZDOJNO-FYWRMAATSA-N 0 0 367.449 2.701 20 10 FFCDRN CN(CCC(F)(F)F)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001327815148 1048052831 /nfs/dbraw/zinc/05/28/31/1048052831.db2.gz VPKRNELVCDBKFM-UHFFFAOYSA-N 0 0 359.392 2.742 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(NC)cn1 ZINC001331673603 1048055099 /nfs/dbraw/zinc/05/50/99/1048055099.db2.gz RYQBGQZGMPEULJ-UHFFFAOYSA-N 0 0 365.231 2.649 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001327864318 1048071324 /nfs/dbraw/zinc/07/13/24/1048071324.db2.gz TXRUKRHVXFFKCE-OIISXLGYSA-N 0 0 350.409 2.821 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)C(C)(F)F ZINC001332003106 1048204477 /nfs/dbraw/zinc/20/44/77/1048204477.db2.gz KLAAIWRGDGAUAU-UHFFFAOYSA-N 0 0 356.413 2.928 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC001328546393 1048348332 /nfs/dbraw/zinc/34/83/32/1048348332.db2.gz CFEAFKCKARGLIR-ZDUSSCGKSA-N 0 0 373.280 2.831 20 10 FFCDRN CCC[C@H](O)[C@H](CO)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001328639837 1048394600 /nfs/dbraw/zinc/39/46/00/1048394600.db2.gz CMVVVXCIMHKBER-ROUUACIJSA-N 0 0 364.873 2.999 20 10 FFCDRN C[C@@H](OCCCNC(=O)C(=O)N1Cc2cccc(O)c2C1)c1ccccc1 ZINC001332545708 1048443659 /nfs/dbraw/zinc/44/36/59/1048443659.db2.gz XWSFMIPDEOVHBP-OAHLLOKOSA-N 0 0 368.433 2.519 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)C[C@H](C)n3ccc(C)n3)CC2)cc1 ZINC001329234805 1048627899 /nfs/dbraw/zinc/62/78/99/1048627899.db2.gz MSUHEEXAKJQESP-KRWDZBQOSA-N 0 0 356.470 2.890 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H](C)OCc3ccncc3)CC2)cc1 ZINC001329376720 1048692919 /nfs/dbraw/zinc/69/29/19/1048692919.db2.gz CCGBKFUMWKKXDY-KRWDZBQOSA-N 0 0 369.465 2.734 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cnc4cc[nH]c4c3)CC2)cc1 ZINC001333111861 1048718360 /nfs/dbraw/zinc/71/83/60/1048718360.db2.gz SAQBIHACTUTGLJ-UHFFFAOYSA-N 0 0 350.422 2.924 20 10 FFCDRN Cc1ccc(O)c(CNS(=O)(=O)c2cnc3onc(C4CC4)c3c2)c1 ZINC001329807825 1048919545 /nfs/dbraw/zinc/91/95/45/1048919545.db2.gz YSODLZPUYQIGRU-UHFFFAOYSA-N 0 0 359.407 2.593 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCCc1ccc(F)c(Br)c1 ZINC001291830794 1048939261 /nfs/dbraw/zinc/93/92/61/1048939261.db2.gz BQALFVUREIOBMK-UHFFFAOYSA-N 0 0 368.202 2.901 20 10 FFCDRN O=C([O-])C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC001330274834 1049113848 /nfs/dbraw/zinc/11/38/48/1049113848.db2.gz OSIFXRVHUOLRAT-LJQANCHMSA-N 0 0 354.450 2.871 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC(F)(C2CC2)CC1 ZINC001333800502 1049124179 /nfs/dbraw/zinc/12/41/79/1049124179.db2.gz NMEASUCDNRDKKK-UHFFFAOYSA-N 0 0 373.472 2.644 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2[C@H]3CCCO[C@H]32)cc1 ZINC001292381541 1049330777 /nfs/dbraw/zinc/33/07/77/1049330777.db2.gz FHWJMIBHRHTXBC-UAFMIMERSA-N 0 0 358.482 2.685 20 10 FFCDRN CC(C)(F)CCNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001334290029 1049352111 /nfs/dbraw/zinc/35/21/11/1049352111.db2.gz ZYHJYBOWTFIBPO-UHFFFAOYSA-N 0 0 362.401 2.768 20 10 FFCDRN CNC(=O)C1([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCCC1 ZINC001334368137 1049392232 /nfs/dbraw/zinc/39/22/32/1049392232.db2.gz SEZNRQAYRCKPHS-UHFFFAOYSA-N 0 0 361.667 2.957 20 10 FFCDRN CCOc1ccc(N2CCN(Cc3nccn3CC(F)F)CC2)cc1 ZINC001331099995 1049471179 /nfs/dbraw/zinc/47/11/79/1049471179.db2.gz ZUZIBAUHYFSNMZ-UHFFFAOYSA-N 0 0 350.413 2.869 20 10 FFCDRN Cc1cccc(OC[C@H](O)CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001294562857 1049771155 /nfs/dbraw/zinc/77/11/55/1049771155.db2.gz AEGDGZMXUMAWDG-CYBMUJFWSA-N 0 0 373.430 2.791 20 10 FFCDRN Cc1cc(C(=O)NCCN2C(=S)N=NC2C)c(C)n1-c1ccc(F)cc1 ZINC000742180753 1049813000 /nfs/dbraw/zinc/81/30/00/1049813000.db2.gz DHUXXTHSHZSVGZ-UHFFFAOYSA-N 0 0 373.457 2.852 20 10 FFCDRN Nc1c(C(=O)NCCc2ccc(O)c(O)c2)cc2ccccc2c1[N+](=O)[O-] ZINC001294914219 1049836628 /nfs/dbraw/zinc/83/66/28/1049836628.db2.gz XSIGZUJYIOOXNC-UHFFFAOYSA-N 0 0 367.361 2.714 20 10 FFCDRN O=C(NCc1ccccc1O)C(F)(F)c1ncccc1Br ZINC001294924693 1049837776 /nfs/dbraw/zinc/83/77/76/1049837776.db2.gz HDTWUOCGWLYAAI-UHFFFAOYSA-N 0 0 357.154 2.958 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](CO)[C@H]2CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC001295800271 1049987200 /nfs/dbraw/zinc/98/72/00/1049987200.db2.gz SJDWURULEKAKAI-KSSFIOAISA-N 0 0 362.857 2.875 20 10 FFCDRN COC(OC)[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1ccccc1 ZINC001296944180 1050106555 /nfs/dbraw/zinc/10/65/55/1050106555.db2.gz LGJMQJVRLOHFEM-OAHLLOKOSA-N 0 0 356.382 2.939 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(Br)c(C)c2N)c(O)c1 ZINC001296968504 1050108678 /nfs/dbraw/zinc/10/86/78/1050108678.db2.gz PSNGNOMIXZRKAU-UHFFFAOYSA-N 0 0 365.227 2.984 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN(c2ccccc2)C1=O ZINC001297562580 1050220089 /nfs/dbraw/zinc/22/00/89/1050220089.db2.gz NFZOAWILPUHEQP-MRXNPFEDSA-N 0 0 373.449 2.937 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)N3CC(C)(C)C3(C)C)CC2)cc1 ZINC001339878248 1050295995 /nfs/dbraw/zinc/29/59/95/1050295995.db2.gz OAIMXSJAOAWZIW-UHFFFAOYSA-N 0 0 374.529 2.647 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)cc1 ZINC001298009930 1050355195 /nfs/dbraw/zinc/35/51/95/1050355195.db2.gz GWWHWTFOAMDFRR-HDICACEKSA-N 0 0 355.482 2.621 20 10 FFCDRN Cn1cc(NC(=O)C(=O)NCc2c(O)cccc2F)c(C2CCCCC2)n1 ZINC001340194786 1050603181 /nfs/dbraw/zinc/60/31/81/1050603181.db2.gz ZDWBZNALUHBTSN-UHFFFAOYSA-N 0 0 374.416 2.567 20 10 FFCDRN CC(=O)[C@@H]1CC(C(=O)NCc2cc(C)ccc2O)=NN1c1ccccc1 ZINC001301046672 1050799725 /nfs/dbraw/zinc/79/97/25/1050799725.db2.gz HKHACLPSRSSGOM-SFHVURJKSA-N 0 0 351.406 2.541 20 10 FFCDRN Cc1nnc(N2CCOC3(CCC3)C2)n1Cc1ccc(N(C)C)cc1C ZINC001542226682 1071193150 /nfs/dbraw/zinc/19/31/50/1071193150.db2.gz FZJNUEJBIGJFPT-UHFFFAOYSA-N 0 0 355.486 2.769 20 10 FFCDRN CCn1c(N2CCCN(c3ccc(OC)cc3)CC2)nnc1C1(OC)CC1 ZINC001342501158 1051103760 /nfs/dbraw/zinc/10/37/60/1051103760.db2.gz NIXITDNEWGCTGN-UHFFFAOYSA-N 0 0 371.485 2.659 20 10 FFCDRN C[C@H](NC(=O)C(=O)NC/C=C/c1ccccc1)c1ccc(N(C)C)cc1 ZINC001340818665 1051162378 /nfs/dbraw/zinc/16/23/78/1051162378.db2.gz QKJORRIMRCFADW-JCVNQNCUSA-N 0 0 351.450 2.759 20 10 FFCDRN COCCn1c(-c2c[nH]c(C3CC3)n2)nnc1N(C)Cc1ccccc1O ZINC001342649300 1051256959 /nfs/dbraw/zinc/25/69/59/1051256959.db2.gz LQDIIIFGBGVLLI-UHFFFAOYSA-N 0 0 368.441 2.534 20 10 FFCDRN CO[C@H](C(=O)NCc1cc(O)ccc1O)c1ccc(Br)s1 ZINC001303225757 1051308113 /nfs/dbraw/zinc/30/81/13/1051308113.db2.gz PMFJQIKMLOSBIO-ZDUSSCGKSA-N 0 0 372.240 2.926 20 10 FFCDRN Cc1cc(F)ccc1[C@H](C)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001303405887 1051348701 /nfs/dbraw/zinc/34/87/01/1051348701.db2.gz IUXYMNJSDBSUHW-NSHDSACASA-N 0 0 366.414 2.702 20 10 FFCDRN CNC(=O)N[C@@H]1CCCN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC001303522306 1051374336 /nfs/dbraw/zinc/37/43/36/1051374336.db2.gz XBEOUBUVCSZVDG-QGZVFWFLSA-N 0 0 368.481 2.936 20 10 FFCDRN CC(C)c1nc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)n(C)n1 ZINC001303527278 1051375039 /nfs/dbraw/zinc/37/50/39/1051375039.db2.gz OIRLKPLOYJTMCN-UHFFFAOYSA-N 0 0 360.439 2.537 20 10 FFCDRN CCOc1cc(C(=O)NCc2c(O)cccc2F)c([N+](=O)[O-])cc1OC ZINC001303878589 1051465365 /nfs/dbraw/zinc/46/53/65/1051465365.db2.gz OCFHBYMBYTUBCW-UHFFFAOYSA-N 0 0 364.329 2.777 20 10 FFCDRN COc1ccc(SCCC(=O)NCc2c(O)cccc2O)cc1OC ZINC001304053485 1051514960 /nfs/dbraw/zinc/51/49/60/1051514960.db2.gz MATCLKKTGUNTRD-UHFFFAOYSA-N 0 0 363.435 2.914 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)C1CCN(c2cnccn2)CC1 ZINC001304090032 1051529096 /nfs/dbraw/zinc/52/90/96/1051529096.db2.gz VSMWNTLQUFOACH-UHFFFAOYSA-N 0 0 362.433 2.868 20 10 FFCDRN CN1C(=O)COc2ccc(C(=O)NCc3c(O)ccc4ccccc43)cc21 ZINC001304090699 1051529266 /nfs/dbraw/zinc/52/92/66/1051529266.db2.gz OGGYIDCIKRHZFZ-UHFFFAOYSA-N 0 0 362.385 2.831 20 10 FFCDRN CCn1c(-c2cc3ncn(C)c3cn2)nnc1N(C)Cc1ccccc1O ZINC001341270490 1051629438 /nfs/dbraw/zinc/62/94/38/1051629438.db2.gz QLMPEOWYLCVMOR-UHFFFAOYSA-N 0 0 363.425 2.589 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCC(F)(F)C2)n1C[C@@H]1CCCO1 ZINC001343027539 1051643612 /nfs/dbraw/zinc/64/36/12/1051643612.db2.gz OHVZIEKXZBADSW-JTQLQIEISA-N 0 0 356.398 2.737 20 10 FFCDRN Cc1nnc(N2CC=CCC2)n1Cc1ccc(N2CCSCC2)cc1 ZINC001304811149 1051714361 /nfs/dbraw/zinc/71/43/61/1051714361.db2.gz GMDGZNRDUIDGKK-UHFFFAOYSA-N 0 0 355.511 2.954 20 10 FFCDRN CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1O)N1C[C@@H](C)O[C@H](C)C1 ZINC001305069313 1051794888 /nfs/dbraw/zinc/79/48/88/1051794888.db2.gz CXDUDUZKISCHMK-IOASZLSFSA-N 0 0 354.878 2.796 20 10 FFCDRN CC/C=C/Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O ZINC001306477197 1052130108 /nfs/dbraw/zinc/13/01/08/1052130108.db2.gz AYXIGWAVLNLZFA-NFBGWVBBSA-N 0 0 355.442 2.537 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)O[C@H]3CCC(=O)N(C)C3)c2C)cc1 ZINC001343360345 1052183665 /nfs/dbraw/zinc/18/36/65/1052183665.db2.gz HCXCYWFGVACBMI-KRWDZBQOSA-N 0 0 356.422 2.880 20 10 FFCDRN CCc1c[nH]c2ncnc(N3CCN(c4ccc(OC)cc4OC)CC3)c12 ZINC001307190546 1052264888 /nfs/dbraw/zinc/26/48/88/1052264888.db2.gz VLCSBGQSEDUMJY-UHFFFAOYSA-N 0 0 367.453 2.864 20 10 FFCDRN C[C@@H](NC(=O)Nc1ccc(CO)cc1)c1ccc(N2CCOCC2)cc1 ZINC001345402111 1052426406 /nfs/dbraw/zinc/42/64/06/1052426406.db2.gz CZHYSAOPLRPVEM-OAHLLOKOSA-N 0 0 355.438 2.898 20 10 FFCDRN CN(C)c1ccc(/C=C/CNc2cccc(CN3C(=O)CNC3=O)c2)cc1 ZINC001308210595 1052431920 /nfs/dbraw/zinc/43/19/20/1052431920.db2.gz WIDMYRHPYQBVOD-GQCTYLIASA-N 0 0 364.449 2.930 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]CCN2CCOCC2(C)C)c1 ZINC001308243523 1052435820 /nfs/dbraw/zinc/43/58/20/1052435820.db2.gz DJMLLFPDMZKUOQ-UHFFFAOYSA-N 0 0 357.292 2.664 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COC(=O)/C=C3\CC[C@@H](C)C3)CC2)cc1 ZINC000754190666 1052453592 /nfs/dbraw/zinc/45/35/92/1052453592.db2.gz IXBRHCSLEGOBQX-WECAROLCSA-N 0 0 372.465 2.633 20 10 FFCDRN COc1ccc(N2CC[C@H](NCc3n[nH]cc3Br)C2)cc1 ZINC001308859801 1052509048 /nfs/dbraw/zinc/50/90/48/1052509048.db2.gz NBCTYBPIDMBPHB-NSHDSACASA-N 0 0 351.248 2.549 20 10 FFCDRN CC(C)(C)[C@@H]1CCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001345578316 1052520242 /nfs/dbraw/zinc/52/02/42/1052520242.db2.gz YBOFYRLMLUXNBH-WMZOPIPTSA-N 0 0 372.513 2.718 20 10 FFCDRN CN(c1ccc(CNS(=O)(=O)N2CCCC2)cc1)C1CCCCC1 ZINC001309110681 1052557432 /nfs/dbraw/zinc/55/74/32/1052557432.db2.gz LBMGXGZXRKWLGK-UHFFFAOYSA-N 0 0 351.516 2.886 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cccc3ccn(C)c32)cc1F ZINC001309112474 1052557763 /nfs/dbraw/zinc/55/77/63/1052557763.db2.gz KMENLCZOOYZUCV-UHFFFAOYSA-N 0 0 361.442 2.862 20 10 FFCDRN CCOCc1cccc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC001309228097 1052579317 /nfs/dbraw/zinc/57/93/17/1052579317.db2.gz YKFCYEKLUPSVJS-ZDUSSCGKSA-N 0 0 365.451 2.977 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCO[C@H]1C1CC1 ZINC001344358073 1052732228 /nfs/dbraw/zinc/73/22/28/1052732228.db2.gz VARIFIGVUYMUMV-OCCSQVGLSA-N 0 0 355.232 2.521 20 10 FFCDRN C[C@H](NC(=O)C(=O)N[C@H]1CCOC12CCCCC2)c1ccc(N(C)C)cc1 ZINC001334840344 1053108738 /nfs/dbraw/zinc/10/87/38/1053108738.db2.gz JCIOYDTUXQVGTQ-YJBOKZPZSA-N 0 0 373.497 2.538 20 10 FFCDRN O=C([O-])C1CC2(C1)C[C@H]([NH2+]Cc1c(O)cccc1Br)CCO2 ZINC001334845584 1053112690 /nfs/dbraw/zinc/11/26/90/1053112690.db2.gz XOGOLNYCTAFXQT-NOEPWBJOSA-N 0 0 370.243 2.657 20 10 FFCDRN CCCn1ncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC001346763897 1053291182 /nfs/dbraw/zinc/29/11/82/1053291182.db2.gz QPPJYHVETVFJFM-HNNXBMFYSA-N 0 0 356.470 2.929 20 10 FFCDRN COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ccc(N)cc2)C1 ZINC001335665574 1053495351 /nfs/dbraw/zinc/49/53/51/1053495351.db2.gz IVSMTNKEJITLGF-INIZCTEOSA-N 0 0 354.454 2.603 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCN(C(=O)CC3CCCCC3)CC2)cc1 ZINC001335728695 1053527156 /nfs/dbraw/zinc/52/71/56/1053527156.db2.gz CIBOPKIHLJPNOR-UHFFFAOYSA-N 0 0 358.486 2.593 20 10 FFCDRN CCCn1ncc(C(=O)N2CCCN(c3ccc(OC)cc3)CC2)c1C ZINC001335732408 1053528407 /nfs/dbraw/zinc/52/84/07/1053528407.db2.gz XQVYPCYRJNXMIK-UHFFFAOYSA-N 0 0 356.470 2.963 20 10 FFCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CCC(=O)NC1CCCCC1 ZINC001543151033 1071396687 /nfs/dbraw/zinc/39/66/87/1071396687.db2.gz SXTDYPLHEQSFQP-UHFFFAOYSA-N 0 0 371.485 2.768 20 10 FFCDRN CCOCCCCNC(=O)C(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001336238459 1053862553 /nfs/dbraw/zinc/86/25/53/1053862553.db2.gz IDDQDSWJEAOHSS-UHFFFAOYSA-N 0 0 371.481 2.643 20 10 FFCDRN CSc1ccccc1[C@H](C)NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001336451725 1054000862 /nfs/dbraw/zinc/00/08/62/1054000862.db2.gz RCDRNZGWVMQXPP-LBPRGKRZSA-N 0 0 356.447 2.834 20 10 FFCDRN CC(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cn1 ZINC001336568578 1054066080 /nfs/dbraw/zinc/06/60/80/1054066080.db2.gz HPHJVYKITFBKKW-UHFFFAOYSA-N 0 0 364.449 2.836 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CCN1CSCCSC1 ZINC001543309907 1071445253 /nfs/dbraw/zinc/44/52/53/1071445253.db2.gz KEOVFLVWSMDLTG-UHFFFAOYSA-N 0 0 353.557 2.764 20 10 FFCDRN Cc1ccc(CNC(=O)NCc2ccc(N)cc2)c(O[C@@H]2CCOC2)c1 ZINC001336848719 1054284115 /nfs/dbraw/zinc/28/41/15/1054284115.db2.gz OOBZSMMHMIGWCW-GOSISDBHSA-N 0 0 355.438 2.744 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N)cc2)[C@@H]1Oc1ccccc1 ZINC001336878686 1054311867 /nfs/dbraw/zinc/31/18/67/1054311867.db2.gz DPPOOPAHQYOMRG-OTWHNJEPSA-N 0 0 355.438 2.693 20 10 FFCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)[C@H]1C ZINC001337077349 1054461335 /nfs/dbraw/zinc/46/13/35/1054461335.db2.gz AMAOFGFSCFZDAR-CVEARBPZSA-N 0 0 372.513 2.718 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCC(CC(=O)NC3CCCC3)CC2)cc1 ZINC001337078681 1054463018 /nfs/dbraw/zinc/46/30/18/1054463018.db2.gz NCVJXSWLLPAVII-UHFFFAOYSA-N 0 0 358.486 2.639 20 10 FFCDRN CC[C@@H](C)n1nccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001348477164 1054725857 /nfs/dbraw/zinc/72/58/57/1054725857.db2.gz VXQMLOJOCIHOKZ-CQSZACIVSA-N 0 0 360.433 2.760 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCN(C3CCC3)CC2)n1CC1CC1 ZINC001348190762 1054732775 /nfs/dbraw/zinc/73/27/75/1054732775.db2.gz DERHHJUAXNVGRY-UHFFFAOYSA-N 0 0 359.499 2.797 20 10 FFCDRN CCN(C(=O)C(=O)N1Cc2cccc(O)c2C1)[C@H](C)c1cccc(OC)c1 ZINC001348585150 1054805958 /nfs/dbraw/zinc/80/59/58/1054805958.db2.gz LWDLLPCTYCMHPH-CQSZACIVSA-N 0 0 368.433 2.853 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1nc(C(C)(C)C)cs1 ZINC001348594884 1054810055 /nfs/dbraw/zinc/81/00/55/1054810055.db2.gz GLTNGLVAMHNCBQ-GFCCVEGCSA-N 0 0 374.510 2.559 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1CCCCN1Cc1cccc(F)c1 ZINC001348739427 1054891202 /nfs/dbraw/zinc/89/12/02/1054891202.db2.gz XIMDLXDJFHKMQL-SFHVURJKSA-N 0 0 358.413 2.908 20 10 FFCDRN CC[C@@H](C)n1nccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC001348880138 1054978237 /nfs/dbraw/zinc/97/82/37/1054978237.db2.gz QCFUGZZXQRKXER-OAHLLOKOSA-N 0 0 356.470 2.745 20 10 FFCDRN CCc1ncoc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001337744563 1054988031 /nfs/dbraw/zinc/98/80/31/1054988031.db2.gz VEDKHZPFYIMXMC-STQMWFEESA-N 0 0 361.417 2.920 20 10 FFCDRN Cc1cc(CNC(=O)Cc2nnc(N)s2)c(C)n1-c1cccc(C)c1 ZINC001348911372 1054995535 /nfs/dbraw/zinc/99/55/35/1054995535.db2.gz XFKFXDZDKOQWLU-UHFFFAOYSA-N 0 0 355.467 2.695 20 10 FFCDRN C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)CC2(CCCCC2)O1 ZINC000847097518 1055061483 /nfs/dbraw/zinc/06/14/83/1055061483.db2.gz LLTSRZJXDQBKMS-KRWDZBQOSA-N 0 0 359.514 2.792 20 10 FFCDRN CN(c1ccc(CNC(=O)NC[C@H]2COCCN2C)cc1)C1CCCCC1 ZINC001349104474 1055097653 /nfs/dbraw/zinc/09/76/53/1055097653.db2.gz WKEZBQGZDWDBIC-FQEVSTJZSA-N 0 0 374.529 2.585 20 10 FFCDRN Cc1ncsc1/C=C/C(=O)N1CCCc2c1cccc2S(C)(=O)=O ZINC001356022332 1055224764 /nfs/dbraw/zinc/22/47/64/1055224764.db2.gz JIYFSKJWCQVTOM-CMDGGOBGSA-N 0 0 362.476 2.848 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NC1CCC(OC(C)(C)C)CC1 ZINC001349509994 1055307445 /nfs/dbraw/zinc/30/74/45/1055307445.db2.gz UAJVGAPVUHWENK-UHFFFAOYSA-N 0 0 362.470 2.593 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)Nc1ccn(CC(=O)OCC)n1 ZINC000847248281 1055310813 /nfs/dbraw/zinc/31/08/13/1055310813.db2.gz MZFLQFKTUCVXNE-UHFFFAOYSA-N 0 0 374.441 2.986 20 10 FFCDRN CCc1cccc(CNc2ccc(CC(=O)N[C@H](CC)CO)cc2)c1O ZINC000848892502 1055312875 /nfs/dbraw/zinc/31/28/75/1055312875.db2.gz YOPKOYUAKCAQDA-GOSISDBHSA-N 0 0 356.466 2.996 20 10 FFCDRN CCc1cccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)c1O ZINC000848907387 1055342134 /nfs/dbraw/zinc/34/21/34/1055342134.db2.gz MYDQIXFHGJTCAS-UHFFFAOYSA-N 0 0 352.442 2.739 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)Cn4ncnc43)ccc21 ZINC001338234496 1055346265 /nfs/dbraw/zinc/34/62/65/1055346265.db2.gz YPBRXHBQTIHBDV-CYBMUJFWSA-N 0 0 367.453 2.793 20 10 FFCDRN Cc1nc(CSCC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cs1 ZINC001338277546 1055383413 /nfs/dbraw/zinc/38/34/13/1055383413.db2.gz XAOFKKWLQSGJMG-JTQLQIEISA-N 0 0 352.481 2.843 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc4oc(=O)[nH]c43)CC2)cc1 ZINC000847286723 1055389727 /nfs/dbraw/zinc/38/97/27/1055389727.db2.gz YWNFSTAOUYXYAA-UHFFFAOYSA-N 0 0 353.378 2.504 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000848938542 1055402317 /nfs/dbraw/zinc/40/23/17/1055402317.db2.gz HPCDKTLVKUHFKE-OALUTQOASA-N 0 0 374.481 2.595 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC[C@@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000847316309 1055476644 /nfs/dbraw/zinc/47/66/44/1055476644.db2.gz GHWUOKTVKLKIQT-OAHLLOKOSA-N 0 0 366.458 2.814 20 10 FFCDRN CSCC[C@H](NC(=O)NCc1ccc(N)cc1)c1nnc2ccccn21 ZINC001356557647 1055578383 /nfs/dbraw/zinc/57/83/83/1055578383.db2.gz OHQOSWXXFSQKHQ-HNNXBMFYSA-N 0 0 370.482 2.605 20 10 FFCDRN C[C@H]1CN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC2(CCC2)O1 ZINC001338587395 1055646923 /nfs/dbraw/zinc/64/69/23/1055646923.db2.gz BRJJWWREVVVIQF-NSHDSACASA-N 0 0 371.466 2.945 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCc1cccc(O)c1O ZINC001350300606 1055713734 /nfs/dbraw/zinc/71/37/34/1055713734.db2.gz UUKRPDVNQXRXDM-CYBMUJFWSA-N 0 0 350.415 2.504 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000847464095 1055836312 /nfs/dbraw/zinc/83/63/12/1055836312.db2.gz OZZDBSMAOPUGCQ-MRXNPFEDSA-N 0 0 361.442 2.687 20 10 FFCDRN Cc1cc(C(=O)N2CCN(Cc3cc(Cl)c(C)cc3O)[C@H](C)C2)[nH]n1 ZINC001350619459 1055867150 /nfs/dbraw/zinc/86/71/50/1055867150.db2.gz DOZJJWOPHQOTPV-CYBMUJFWSA-N 0 0 362.861 2.732 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C2=NN(c3ccc(F)cc3)C(=O)CC2)cc1 ZINC001350777237 1055936306 /nfs/dbraw/zinc/93/63/06/1055936306.db2.gz YGIYCDPKXZPVMF-UHFFFAOYSA-N 0 0 368.412 2.691 20 10 FFCDRN Cc1cnc(C)nc1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001352926122 1055937052 /nfs/dbraw/zinc/93/70/52/1055937052.db2.gz RLRKEJXKSNZXPE-UHFFFAOYSA-N 0 0 357.483 2.968 20 10 FFCDRN CO[C@](C)(CO)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000847551697 1056042331 /nfs/dbraw/zinc/04/23/31/1056042331.db2.gz SASVELFBDRLMDD-IBGZPJMESA-N 0 0 370.409 2.554 20 10 FFCDRN CCCn1ncc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)c1C ZINC001339048660 1056045400 /nfs/dbraw/zinc/04/54/00/1056045400.db2.gz BJZNWFILRHPQEN-INIZCTEOSA-N 0 0 356.470 2.866 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cncc(N2CCCC2)n1 ZINC001351176838 1056121877 /nfs/dbraw/zinc/12/18/77/1056121877.db2.gz ISGAXOWJFLOKEF-UHFFFAOYSA-N 0 0 365.481 2.949 20 10 FFCDRN CO[C@H](C(=O)OC(C)(C)C)C(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001351178008 1056122785 /nfs/dbraw/zinc/12/27/85/1056122785.db2.gz QJLBMJSKIYMMGI-KRWDZBQOSA-N 0 0 362.470 2.602 20 10 FFCDRN C[C@H](NC(=O)c1ccc2c(c1)nc(CO)n2C)c1ccc(N(C)C)cc1 ZINC001358147342 1056162309 /nfs/dbraw/zinc/16/23/09/1056162309.db2.gz FINLLSWSSBOLTM-ZDUSSCGKSA-N 0 0 352.438 2.623 20 10 FFCDRN CN(CC(F)(F)F)c1nnc(C2SC=CC2=O)n1C[C@@H]1CCCO1 ZINC001358233626 1056206098 /nfs/dbraw/zinc/20/60/98/1056206098.db2.gz ALGCRARNIJKAQZ-VIFPVBQESA-N 0 0 362.377 2.890 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1coc(C(F)F)c1 ZINC001351520719 1056306098 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C[C@@](CO)(NC(=O)C1=CC(=O)CS1)c1cccc(Br)c1 ZINC001558720756 1076062921 /nfs/dbraw/zinc/06/29/21/1076062921.db2.gz JZUKTGGZMJPKQJ-AWEZNQCLSA-N 0 0 356.241 2.854 20 10 FFCDRN CCOC(=O)c1cnn(CC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 ZINC001559436559 1076159768 /nfs/dbraw/zinc/15/97/68/1076159768.db2.gz RSKBEPAXANYZCQ-UHFFFAOYSA-N 0 0 352.394 2.745 20 10 FFCDRN COC(=O)[C@H](COC1CCC1)N(C)Cc1ccc(Br)cc1O ZINC001560638128 1076287217 /nfs/dbraw/zinc/28/72/17/1076287217.db2.gz ATUHQHYQYFXRGR-AWEZNQCLSA-N 0 0 372.259 2.697 20 10 FFCDRN COc1c(O)c(CNc2ccc(-n3nncc3C)cc2)ccc1[N+](=O)[O-] ZINC001560903481 1076308149 /nfs/dbraw/zinc/30/81/49/1076308149.db2.gz WNCCOHRYSPXVJA-UHFFFAOYSA-N 0 0 355.354 2.810 20 10 FFCDRN COc1ccccc1C(=O)N1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001560942875 1076312085 /nfs/dbraw/zinc/31/20/85/1076312085.db2.gz WEUWFSATXXVUGP-UHFFFAOYSA-N 0 0 362.376 2.637 20 10 FFCDRN Cc1coc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(O)cc3O)c2)n1 ZINC001561669942 1076405032 /nfs/dbraw/zinc/40/50/32/1076405032.db2.gz 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FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H]1CCC2(C1)OCCO2 ZINC001566944655 1076989448 /nfs/dbraw/zinc/98/94/48/1076989448.db2.gz ONXICSYGVMQWFB-KRWDZBQOSA-N 0 0 368.433 2.932 20 10 FFCDRN C[C@H]1[C@H](C)N(C(=O)c2cccc(O)c2O)CCN1C(=O)OC(C)(C)C ZINC001566941128 1076989739 /nfs/dbraw/zinc/98/97/39/1076989739.db2.gz AQUPSIZQAJCROR-RYUDHWBXSA-N 0 0 350.415 2.568 20 10 FFCDRN Cn1cc(C(=O)NCc2ccc(O)cc2O)c(-c2cc(F)ccc2F)n1 ZINC001570464054 1077207551 /nfs/dbraw/zinc/20/75/51/1077207551.db2.gz ZMNKVVAJFYDZMU-UHFFFAOYSA-N 0 0 359.332 2.707 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)COc2ccc(OC)c(C)c2)cc1 ZINC001586649355 1079662204 /nfs/dbraw/zinc/66/22/04/1079662204.db2.gz LVTKBANIOGFCAN-UHFFFAOYSA-N 0 0 372.465 2.986 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2ccnc(-n3cncn3)c2)cc1 ZINC001588033694 1079915259 /nfs/dbraw/zinc/91/52/59/1079915259.db2.gz LWYTWDXCFHFHKW-UHFFFAOYSA-N 0 0 372.432 3.000 20 10 FFCDRN CC(C)=CCNC(=O)c1cc(C)n(-c2ccc(-c3nn[nH]n3)cc2)c1C ZINC001589379449 1080510499 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360.483 2.821 20 10 FFCDRN COc1ccc(N(C)C(=O)c2cn(C)nc2-c2cccnc2)cc1OC ZINC000065897515 506388663 /nfs/dbraw/zinc/38/86/63/506388663.db2.gz RONACUYAQCDOQH-UHFFFAOYSA-N 0 0 352.394 2.776 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@@H](c3nc(C)no3)C2)c([N+](=O)[O-])c1 ZINC000053576396 506408777 /nfs/dbraw/zinc/40/87/77/506408777.db2.gz FZJFJFKDCMTPEY-IZPAUZPXSA-N 0 0 372.381 2.856 20 10 FFCDRN COc1ccc(N2CCCN(CC(=O)Nc3cccnc3Cl)CC2)cc1 ZINC000053773333 506441485 /nfs/dbraw/zinc/44/14/85/506441485.db2.gz RMJDLGJYMPQQLE-UHFFFAOYSA-N 0 0 374.872 2.894 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccc(Br)o1 ZINC000054285148 506532042 /nfs/dbraw/zinc/53/20/42/506532042.db2.gz BGQKTZLCABGELE-UHFFFAOYSA-N 0 0 365.227 2.809 20 10 FFCDRN COCCCN(C)C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000066985435 506719115 /nfs/dbraw/zinc/71/91/15/506719115.db2.gz KGPXTRQKCBICDL-GJZGRUSLSA-N 0 0 367.465 2.617 20 10 FFCDRN COc1cc(OC)c(CNC(=O)CSc2nccs2)c(OC)c1 ZINC000055444818 506753529 /nfs/dbraw/zinc/75/35/29/506753529.db2.gz ASLLGDCDUNLLFV-UHFFFAOYSA-N 0 0 354.453 2.577 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([N+](=O)[O-])s1 ZINC000016134511 507075514 /nfs/dbraw/zinc/07/55/14/507075514.db2.gz RYHLOSPBHUVFSO-UHFFFAOYSA-N 0 0 361.423 2.765 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CSc2nnnn2C2CCCC2)cc1 ZINC000016372678 507084030 /nfs/dbraw/zinc/08/40/30/507084030.db2.gz LYHCZGLAVNNWOF-UHFFFAOYSA-N 0 0 374.514 2.605 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)c1O ZINC000068488682 507248385 /nfs/dbraw/zinc/24/83/85/507248385.db2.gz FIKSNSOMAGJPEF-SFHVURJKSA-N 0 0 370.449 2.780 20 10 FFCDRN C[C@@H](Oc1ccccc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000068535644 507261379 /nfs/dbraw/zinc/26/13/79/507261379.db2.gz QMRZMHBYBPOCRN-QGZVFWFLSA-N 0 0 354.450 2.949 20 10 FFCDRN CCOC(=O)C1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000057661146 507300696 /nfs/dbraw/zinc/30/06/96/507300696.db2.gz ZLMQNYWZBCMCMU-UHFFFAOYSA-N 0 0 359.470 2.554 20 10 FFCDRN CC(=O)CCc1ccc(OCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000057926960 507355979 /nfs/dbraw/zinc/35/59/79/507355979.db2.gz INWXAGBCXHGPPU-UHFFFAOYSA-N 0 0 354.450 2.969 20 10 FFCDRN COc1ncccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000047548932 507356683 /nfs/dbraw/zinc/35/66/83/507356683.db2.gz UGHBONRDSRSRHU-UHFFFAOYSA-N 0 0 370.453 2.621 20 10 FFCDRN O=C(CCNC(=O)OCC(F)(F)F)NCc1ccc(N2CCCC2)cc1 ZINC000049978106 507647529 /nfs/dbraw/zinc/64/75/29/507647529.db2.gz HTJPDRKXCUEPMB-UHFFFAOYSA-N 0 0 373.375 2.582 20 10 FFCDRN COc1ccc(C(=O)Nc2cccc(N3CCCC3)c2)cc1S(C)(=O)=O ZINC000062272943 507662206 /nfs/dbraw/zinc/66/22/06/507662206.db2.gz AJCKFSFGHQRPDD-UHFFFAOYSA-N 0 0 374.462 2.951 20 10 FFCDRN Oc1ccccc1CN(Cc1nnnn1-c1ccccc1)C[C@@H]1CCCO1 ZINC000070976837 507673544 /nfs/dbraw/zinc/67/35/44/507673544.db2.gz XXPJQZMNQRAVRZ-SFHVURJKSA-N 0 0 365.437 2.549 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CCCNC(=O)c2ccccc2)cc1 ZINC000028344415 507722257 /nfs/dbraw/zinc/72/22/57/507722257.db2.gz CAZWAKLZYMSASH-UHFFFAOYSA-N 0 0 353.466 2.921 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2Oc3ccccc3NC2=O)cc1 ZINC000029471857 507778837 /nfs/dbraw/zinc/77/88/37/507778837.db2.gz QBQBJAUAAYJLOR-GOSISDBHSA-N 0 0 353.422 2.501 20 10 FFCDRN COC(=O)CN(Cc1c(C)nn(C)c1C)Cc1cc(Cl)ccc1O ZINC000111238363 508080676 /nfs/dbraw/zinc/08/06/76/508080676.db2.gz WPPDIJLHUMLQOK-UHFFFAOYSA-N 0 0 351.834 2.571 20 10 FFCDRN CN(Cc1nnnn1-c1ccc(OC(F)F)cc1)Cc1ccccc1O ZINC000111236170 508081168 /nfs/dbraw/zinc/08/11/68/508081168.db2.gz BEUMERABACJESO-UHFFFAOYSA-N 0 0 361.352 2.601 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccnc1 ZINC000080655126 508091442 /nfs/dbraw/zinc/09/14/42/508091442.db2.gz FUXUKSYAQDOQRO-AWEZNQCLSA-N 0 0 357.429 2.602 20 10 FFCDRN Cc1n[nH]cc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000081203367 508146989 /nfs/dbraw/zinc/14/69/89/508146989.db2.gz UFJWTRGZSIPUHQ-LBPRGKRZSA-N 0 0 350.369 2.718 20 10 FFCDRN CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000093613527 508150224 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CN(C)c1ccc(CNC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)cc1F ZINC000184983594 510616811 /nfs/dbraw/zinc/61/68/11/510616811.db2.gz YQGNYQRYLYHFRS-OAHLLOKOSA-N 0 0 365.449 2.576 20 10 FFCDRN CNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2[O-])CC1 ZINC000184995359 510622564 /nfs/dbraw/zinc/62/25/64/510622564.db2.gz VRNOQSKAECJGEG-SNVBAGLBSA-N 0 0 360.285 2.560 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Nc3nc4c(s3)COCC4)ccc21 ZINC000172256770 510631764 /nfs/dbraw/zinc/63/17/64/510631764.db2.gz ALVUJFKAUQERGV-UHFFFAOYSA-N 0 0 358.467 2.920 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CN1CCCCC1=O ZINC000266522893 510638564 /nfs/dbraw/zinc/63/85/64/510638564.db2.gz KNTLIXDVFQQXJM-UHFFFAOYSA-N 0 0 369.259 2.516 20 10 FFCDRN C[C@@H](CCc1cccn1C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000266582859 510671674 /nfs/dbraw/zinc/67/16/74/510671674.db2.gz RQHMWCXCNPPVFW-KRWDZBQOSA-N 0 0 370.497 2.682 20 10 FFCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)nc(C(F)(F)F)n1 ZINC000188342507 510719990 /nfs/dbraw/zinc/71/99/90/510719990.db2.gz 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O=C(C=Cc1ccc(N2CCOCC2)cc1)N1CCC[C@H]1c1cc[nH]n1 ZINC000279238829 511021856 /nfs/dbraw/zinc/02/18/56/511021856.db2.gz RHMNGCKHMSLUQH-MEQKGCOVSA-N 0 0 352.438 2.623 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)cc1 ZINC000286541163 511027886 /nfs/dbraw/zinc/02/78/86/511027886.db2.gz HAVBWALBHKANIW-GOSISDBHSA-N 0 0 372.513 2.687 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC=C(c3ccnn3C)CC2)c([N+](=O)[O-])c1 ZINC000286586715 511028862 /nfs/dbraw/zinc/02/88/62/511028862.db2.gz NQMKPDHKAHUNGA-GQCTYLIASA-N 0 0 368.393 2.808 20 10 FFCDRN CON(CC(C)(C)C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000287155034 511042035 /nfs/dbraw/zinc/04/20/35/511042035.db2.gz MJJWZWGBQNAESE-UHFFFAOYSA-N 0 0 353.438 2.781 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cc4n(n3)CCCC4)CC2)cc1 ZINC000287516736 511052412 /nfs/dbraw/zinc/05/24/12/511052412.db2.gz ZCYDGPHMGWCNEC-UHFFFAOYSA-N 0 0 355.442 2.582 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)[C@H]1CCCCO1 ZINC000287796863 511058375 /nfs/dbraw/zinc/05/83/75/511058375.db2.gz 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CC[C@H](C)[C@@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000297882296 511098746 /nfs/dbraw/zinc/09/87/46/511098746.db2.gz NLNUCLVOFAUPRO-SWLSCSKDSA-N 0 0 373.419 2.804 20 10 FFCDRN CCSCC[C@@H](C)N(C)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298001621 511137713 /nfs/dbraw/zinc/13/77/13/511137713.db2.gz YEQSHPWXMPXWJK-OAHLLOKOSA-N 0 0 365.543 2.701 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C)cc1OC ZINC000290504439 511143435 /nfs/dbraw/zinc/14/34/35/511143435.db2.gz NDMQQXQFFYHDNT-UHFFFAOYSA-N 0 0 370.449 2.764 20 10 FFCDRN CC[C@H](CO)N(C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000298022006 511145802 /nfs/dbraw/zinc/14/58/02/511145802.db2.gz RNVRBWLJQIXACU-ZIAGYGMSSA-N 0 0 371.428 2.669 20 10 FFCDRN O=S(=O)(c1cccs1)N1CCC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000290579102 511146086 /nfs/dbraw/zinc/14/60/86/511146086.db2.gz UKCPCCAFCYUBBW-CYBMUJFWSA-N 0 0 370.471 2.536 20 10 FFCDRN Cc1cnn([C@@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)c1 ZINC000290649769 511147501 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C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCN(c2ccccc2F)C1 ZINC000291492089 511220148 /nfs/dbraw/zinc/22/01/48/511220148.db2.gz BKTFNAUASQHMQO-UKRRQHHQSA-N 0 0 358.413 2.811 20 10 FFCDRN CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000271614289 511262882 /nfs/dbraw/zinc/26/28/82/511262882.db2.gz AZTWBMXMWHLGFD-CYBMUJFWSA-N 0 0 372.421 2.573 20 10 FFCDRN CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000271614294 511262917 /nfs/dbraw/zinc/26/29/17/511262917.db2.gz AZTWBMXMWHLGFD-ZDUSSCGKSA-N 0 0 372.421 2.573 20 10 FFCDRN CC(C)n1cnnc1CN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000291620994 511271331 /nfs/dbraw/zinc/27/13/31/511271331.db2.gz AHKJWRQUMGWHQD-UHFFFAOYSA-N 0 0 354.458 2.577 20 10 FFCDRN COc1cc(Cl)c(S(=O)(=O)N(C)Cc2ccccc2O)cc1OC ZINC000279972993 511286471 /nfs/dbraw/zinc/28/64/71/511286471.db2.gz YZFIKSVRJQSMEV-UHFFFAOYSA-N 0 0 371.842 2.884 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(Cl)cn1 ZINC000271765559 511316047 /nfs/dbraw/zinc/31/60/47/511316047.db2.gz 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Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCC[C@@H](C)[S@@](C)=O)c1 ZINC000860203100 730487127 /nfs/dbraw/zinc/48/71/27/730487127.db2.gz WTGSORWMWZLOST-DLUDVSRJSA-N 0 0 360.479 2.794 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)O[C@H](C)CS(=O)(=O)N(C)C ZINC000861155926 730581660 /nfs/dbraw/zinc/58/16/60/730581660.db2.gz RCDMYNCGORSNIO-CYBMUJFWSA-N 0 0 370.496 2.592 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCOCC(F)F ZINC000861241086 730590150 /nfs/dbraw/zinc/59/01/50/730590150.db2.gz OMOWQGSZRLMYCZ-UHFFFAOYSA-N 0 0 350.365 2.918 20 10 FFCDRN COc1ccc(N2CCN(Cc3cn(C)nc3Br)CC2)cc1 ZINC000862212954 730676595 /nfs/dbraw/zinc/67/65/95/730676595.db2.gz XTOZKVVJJDNVPT-UHFFFAOYSA-N 0 0 365.275 2.513 20 10 FFCDRN CN(C)c1cc(F)c(CN(C)[C@H]2CCCC[C@H]2S(C)(=O)=O)cc1F ZINC000862249068 730681729 /nfs/dbraw/zinc/68/17/29/730681729.db2.gz WOERASICADTUGJ-DOTOQJQBSA-N 0 0 360.470 2.818 20 10 FFCDRN Cc1nc(CN2CCC(C(=O)NCc3cc(C)ccc3O)CC2)cs1 ZINC000862758520 730723644 /nfs/dbraw/zinc/72/36/44/730723644.db2.gz BPNDEDPGICPOMZ-UHFFFAOYSA-N 0 0 359.495 2.994 20 10 FFCDRN C[C@@H]1CC[C@H](NC(=O)c2cccc(O)c2O)CN1C(=O)OC(C)(C)C ZINC000863024324 730743411 /nfs/dbraw/zinc/74/34/11/730743411.db2.gz NGXCTCARLHFLBV-NEPJUHHUSA-N 0 0 350.415 2.616 20 10 FFCDRN C[C@@H]([NH3+])CN(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000863652339 730799179 /nfs/dbraw/zinc/79/91/79/730799179.db2.gz RNLXAEMJKQSYOS-SSDOTTSWSA-N 0 0 352.070 2.696 20 10 FFCDRN Cc1conc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000865117388 730914374 /nfs/dbraw/zinc/91/43/74/730914374.db2.gz OPAWNGYGISKSEH-UHFFFAOYSA-N 0 0 351.353 2.983 20 10 FFCDRN COC(=O)c1ccc(/C=C/C(=O)NCCCSc2nccs2)o1 ZINC000865786009 730997479 /nfs/dbraw/zinc/99/74/79/730997479.db2.gz XQELPQJHDQXQGT-GQCTYLIASA-N 0 0 352.437 2.835 20 10 FFCDRN C[C@@H](NS(=O)(=O)CCC(C)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000866606297 731079663 /nfs/dbraw/zinc/07/96/63/731079663.db2.gz UPDIRGWGKXVKLG-CYBMUJFWSA-N 0 0 362.442 2.549 20 10 FFCDRN Cc1cc(S(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)sn1 ZINC000866828244 731105930 /nfs/dbraw/zinc/10/59/30/731105930.db2.gz IBYRAKMOSZDTDZ-CQSZACIVSA-N 0 0 368.480 2.527 20 10 FFCDRN Cc1nc([C@H]2CCOC2)sc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000867301616 731167479 /nfs/dbraw/zinc/16/74/79/731167479.db2.gz CDZSBYVUJKXFCG-MFKMUULPSA-N 0 0 362.451 2.728 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCC(=O)O3)cc2Cl)C1 ZINC000868064928 731256035 /nfs/dbraw/zinc/25/60/35/731256035.db2.gz HGADAMVLHQQRNG-MLGOLLRUSA-N 0 0 350.846 2.898 20 10 FFCDRN Cc1ccn(C[C@@H](C)C(=O)NCc2cc(Br)ccc2O)n1 ZINC000868307318 731280206 /nfs/dbraw/zinc/28/02/06/731280206.db2.gz XOJRLPASNIFKCY-SNVBAGLBSA-N 0 0 352.232 2.612 20 10 FFCDRN C[C@H](NC(=O)NCCCn1cc(Br)cn1)c1ccccc1O ZINC000868615204 731311502 /nfs/dbraw/zinc/31/15/02/731311502.db2.gz CCZUAJTWTIRVOP-NSHDSACASA-N 0 0 367.247 2.802 20 10 FFCDRN C[C@H](NC(=O)CCn1cc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC000920881649 737932720 /nfs/dbraw/zinc/93/27/20/737932720.db2.gz JWAYUPRLENAQRG-AWEZNQCLSA-N 0 0 362.861 2.641 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1C[C@H]1C(F)(F)F ZINC000868989487 731352594 /nfs/dbraw/zinc/35/25/94/731352594.db2.gz QLMYVMGZBGUGEZ-HUUCEWRRSA-N 0 0 357.376 2.615 20 10 FFCDRN COC(=O)c1nn(CN(C)Cc2ccc(N(C)C)cc2)c(C)c1Cl ZINC000921184483 737950838 /nfs/dbraw/zinc/95/08/38/737950838.db2.gz IZTCBBDNMSSZDZ-UHFFFAOYSA-N 0 0 350.850 2.787 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3c(Cl)n[nH]c3C3CC3)C2)cc1 ZINC000869231595 731377392 /nfs/dbraw/zinc/37/73/92/731377392.db2.gz SLIIXFHFMZPBMS-LBPRGKRZSA-N 0 0 360.845 2.958 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCCOC(C)C)CC2)c(OC)c1 ZINC000870167535 731478669 /nfs/dbraw/zinc/47/86/69/731478669.db2.gz KIWNBCOXMSGMHY-UHFFFAOYSA-N 0 0 350.459 2.558 20 10 FFCDRN O=C([C@@H]1CCN(c2ccc(Cl)cc2)C1=O)N1Cc2cccc(O)c2C1 ZINC000871201140 731605757 /nfs/dbraw/zinc/60/57/57/731605757.db2.gz PSZOAAXZMQLUHG-HNNXBMFYSA-N 0 0 356.809 2.941 20 10 FFCDRN Cc1nn(CCS(C)(=O)=O)c(C)c1CNc1ccccc1NC(C)C ZINC000871846165 731689136 /nfs/dbraw/zinc/68/91/36/731689136.db2.gz UIDIHLQNOUADJI-UHFFFAOYSA-N 0 0 364.515 2.977 20 10 FFCDRN COc1ccc(CNCc2nnc(C3CC3)s2)cc1Cn1cccn1 ZINC000873132653 731878935 /nfs/dbraw/zinc/87/89/35/731878935.db2.gz ZLOLNMZTMSKXBD-UHFFFAOYSA-N 0 0 355.467 2.959 20 10 FFCDRN O=C([O-])COCC[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000874042427 732000244 /nfs/dbraw/zinc/00/02/44/732000244.db2.gz GVPRGSRRAKJDLY-UHFFFAOYSA-N 0 0 371.275 2.630 20 10 FFCDRN CC(C)(C)C[C@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000874100843 732010060 /nfs/dbraw/zinc/01/00/60/732010060.db2.gz VRQZVALOMDXZSL-ZDUSSCGKSA-N 0 0 358.360 2.718 20 10 FFCDRN Cc1scc(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1C ZINC000875251012 732138306 /nfs/dbraw/zinc/13/83/06/732138306.db2.gz HLAYEYZJAPEGBS-UHFFFAOYSA-N 0 0 359.495 2.672 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCCSCCC(F)(F)F)c1 ZINC000875289903 732141259 /nfs/dbraw/zinc/14/12/59/732141259.db2.gz OZSUWRGIJKFTOH-UHFFFAOYSA-N 0 0 352.378 2.886 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000875374149 732149234 /nfs/dbraw/zinc/14/92/34/732149234.db2.gz FPMPLKSBDJSQEZ-KBPBESRZSA-N 0 0 355.529 2.987 20 10 FFCDRN COc1ccc(CNC(=O)NCC[C@@H]2CC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000926299824 738594960 /nfs/dbraw/zinc/59/49/60/738594960.db2.gz NHAIFQNEAXSPFS-SMDDNHRTSA-N 0 0 362.348 2.700 20 10 FFCDRN COC(=O)[C@H](NC(=O)c1ccc(C)c(O)c1O)c1ccc(Cl)c(F)c1 ZINC000780997174 738592682 /nfs/dbraw/zinc/59/26/82/738592682.db2.gz AWROVWXUGFZSIC-CYBMUJFWSA-N 0 0 367.760 2.843 20 10 FFCDRN COc1cc([C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])ccc1OCCO ZINC000876967113 732304260 /nfs/dbraw/zinc/30/42/60/732304260.db2.gz CMWRZAPCYPMBDE-LLVKDONJSA-N 0 0 353.365 2.901 20 10 FFCDRN Cc1cccc(O)c1CNc1cccc(S(=O)(=O)NC2=NCCC2)c1 ZINC000877511688 732376558 /nfs/dbraw/zinc/37/65/58/732376558.db2.gz FYXMDHHWBXSEIU-UHFFFAOYSA-N 0 0 359.451 2.783 20 10 FFCDRN O=C(N1C[C@@H]2C[N@H+](Cc3ccc(F)c(F)c3[O-])CC[C@@H]2C1)C(F)(F)F ZINC000877567572 732389609 /nfs/dbraw/zinc/38/96/09/732389609.db2.gz YKIRYVIMDUYGJK-KOLCDFICSA-N 0 0 364.314 2.513 20 10 FFCDRN Cc1ccc(CNc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c(O)c1 ZINC000877607900 732397522 /nfs/dbraw/zinc/39/75/22/732397522.db2.gz JDJPCEAFFXTDPZ-UHFFFAOYSA-N 0 0 350.415 2.893 20 10 FFCDRN COC(=O)c1ccc2[nH]cc(C(=O)COC(=O)C3=CC(=O)CS3)c2c1 ZINC000781177853 738604414 /nfs/dbraw/zinc/60/44/14/738604414.db2.gz DJPLUQLWPMDHLZ-UHFFFAOYSA-N 0 0 359.359 2.761 20 10 FFCDRN CCOC(=O)c1ncc(CN(C)CCN(C)c2ccc(OC)cc2)s1 ZINC000878804712 732596843 /nfs/dbraw/zinc/59/68/43/732596843.db2.gz AYSZRWOORKVCBO-UHFFFAOYSA-N 0 0 363.483 2.897 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@@H]3C)C2)c1 ZINC000781631671 738642981 /nfs/dbraw/zinc/64/29/81/738642981.db2.gz BKXMVPHERMPDLS-SUHUHFCYSA-N 0 0 353.260 2.562 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CC(=O)N([C@H]3C[C@H]3C)C2)c1 ZINC000781631669 738643018 /nfs/dbraw/zinc/64/30/18/738643018.db2.gz BKXMVPHERMPDLS-QKCSRTOESA-N 0 0 353.260 2.562 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@H+](CCO)Cc2cccnc2)c1 ZINC000781907237 738670974 /nfs/dbraw/zinc/67/09/74/738670974.db2.gz GNKUACRPTKBBDE-UHFFFAOYSA-N 0 0 351.244 2.853 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3nn(C)cc3Cl)C2)cc1 ZINC000881171898 733020193 /nfs/dbraw/zinc/02/01/93/733020193.db2.gz GHAUJGIVLPWCID-GFCCVEGCSA-N 0 0 363.849 2.730 20 10 FFCDRN C[C@@H](NC(=O)Nc1nn(C)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000881184544 733023759 /nfs/dbraw/zinc/02/37/59/733023759.db2.gz SABGNUPAVUTQNP-GFCCVEGCSA-N 0 0 363.849 2.793 20 10 FFCDRN C[C@H](NS(=O)(=O)CC1(C)CCC1)c1ccc(N2CCOCC2)cc1 ZINC000881812903 733113829 /nfs/dbraw/zinc/11/38/29/733113829.db2.gz JNHLJRJGPQAHIG-HNNXBMFYSA-N 0 0 352.500 2.694 20 10 FFCDRN C[C@H]1COCC[C@H]1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000881920874 733136686 /nfs/dbraw/zinc/13/66/86/733136686.db2.gz RSJFRSWXUAQOKM-KBXCAEBGSA-N 0 0 353.484 2.892 20 10 FFCDRN COCC[C@H](C)S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000782139743 738691928 /nfs/dbraw/zinc/69/19/28/738691928.db2.gz NSJZEMWGUOCMAW-INIZCTEOSA-N 0 0 354.516 2.864 20 10 FFCDRN Cc1nn(CCO)c(NCc2cc(Br)cc(F)c2O)c1C ZINC000883073904 733328446 /nfs/dbraw/zinc/32/84/46/733328446.db2.gz FOGLTOCHAAUHLJ-UHFFFAOYSA-N 0 0 358.211 2.712 20 10 FFCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])c1nnnn1C1CC1 ZINC000883102197 733333691 /nfs/dbraw/zinc/33/36/91/733333691.db2.gz JHBXGNUTMJJENR-SSDOTTSWSA-N 0 0 372.654 2.980 20 10 FFCDRN CC(=O)N1CCC[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000883107895 733334760 /nfs/dbraw/zinc/33/47/60/733334760.db2.gz OMUTUHDCCUJKIJ-LLVKDONJSA-N 0 0 359.239 2.642 20 10 FFCDRN O=C1[C@H]([NH2+]Cc2cc(Br)cc(F)c2[O-])C[C@@H]2CCCCN12 ZINC000883140610 733340906 /nfs/dbraw/zinc/34/09/06/733340906.db2.gz ZEERPPHYEUCLSO-WCQYABFASA-N 0 0 357.223 2.537 20 10 FFCDRN O=C(NCCc1ccns1)NCc1ccc(N2CCSCC2)cc1 ZINC000883144046 733341925 /nfs/dbraw/zinc/34/19/25/733341925.db2.gz COCQONWWHJTFAQ-UHFFFAOYSA-N 0 0 362.524 2.738 20 10 FFCDRN Cn1cc(NCc2ccc(N3CCC(O)CC3)cc2)c(Br)n1 ZINC000883164951 733345052 /nfs/dbraw/zinc/34/50/52/733345052.db2.gz RVDUEFDBWZYJPH-UHFFFAOYSA-N 0 0 365.275 2.756 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883263078 733356753 /nfs/dbraw/zinc/35/67/53/733356753.db2.gz GFLPAAFHSKAEBR-HIFRSBDPSA-N 0 0 350.415 2.927 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000883263080 733356795 /nfs/dbraw/zinc/35/67/95/733356795.db2.gz GFLPAAFHSKAEBR-ZFWWWQNUSA-N 0 0 350.415 2.927 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NCCc3ccns3)C2)cc1 ZINC000883697839 733424603 /nfs/dbraw/zinc/42/46/03/733424603.db2.gz QMDGHBZLKGLOEB-AWEZNQCLSA-N 0 0 360.483 2.520 20 10 FFCDRN CSc1cnc(NCc2ccc(N3CCC(C(N)=O)CC3)cc2)nc1 ZINC000884693725 733550443 /nfs/dbraw/zinc/55/04/43/733550443.db2.gz MDDXLLVHAZYBPL-UHFFFAOYSA-N 0 0 357.483 2.512 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC(C(=O)OC(C)C)CC2)cc1OC ZINC000884719319 733554378 /nfs/dbraw/zinc/55/43/78/733554378.db2.gz HZTSZPDFJFWFSS-UHFFFAOYSA-N 0 0 352.387 2.780 20 10 FFCDRN C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1c([O-])cccc1F ZINC000886524634 733800399 /nfs/dbraw/zinc/80/03/99/733800399.db2.gz NWWBPMRIOXRQKR-LBPRGKRZSA-N 0 0 353.415 2.664 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1c([O-])cccc1F ZINC000886589766 733807087 /nfs/dbraw/zinc/80/70/87/733807087.db2.gz FBKFCESTMSEJCE-CYBMUJFWSA-N 0 0 364.442 2.922 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H](C)C2)cc1 ZINC000887194104 733893680 /nfs/dbraw/zinc/89/36/80/733893680.db2.gz YUJSRIKSWALCMY-DOTOQJQBSA-N 0 0 360.479 2.790 20 10 FFCDRN Cc1sc(N2CCSCC2)nc1-c1cn(-c2ccc(N)cc2)nn1 ZINC000887442564 733929788 /nfs/dbraw/zinc/92/97/88/733929788.db2.gz KJZWXNSARXHRRU-UHFFFAOYSA-N 0 0 358.496 2.835 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cn(C)nc2Br)cc1 ZINC000888283508 734031607 /nfs/dbraw/zinc/03/16/07/734031607.db2.gz RUGDPFMSQKQDEM-UHFFFAOYSA-N 0 0 365.275 2.959 20 10 FFCDRN O=C(COC(=O)c1cc(Br)cs1)c1ccc(O)c(O)c1 ZINC000783237999 738794753 /nfs/dbraw/zinc/79/47/53/738794753.db2.gz DSKCIWPZJTVQPW-UHFFFAOYSA-N 0 0 357.181 2.962 20 10 FFCDRN CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2cccc(Cl)c2O)CCCO1 ZINC000890761807 734337293 /nfs/dbraw/zinc/33/72/93/734337293.db2.gz YSGNQVONWKYXTJ-KRWDZBQOSA-N 0 0 355.818 2.553 20 10 FFCDRN CCc1csc(CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891249896 734404512 /nfs/dbraw/zinc/40/45/12/734404512.db2.gz XRXVHLVZZYUKOJ-KRWDZBQOSA-N 0 0 360.527 2.733 20 10 FFCDRN CCn1cc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000726132075 734410811 /nfs/dbraw/zinc/41/08/11/734410811.db2.gz UFSXBDRFMDSMFC-CQSZACIVSA-N 0 0 359.499 2.787 20 10 FFCDRN CC(C)CCOc1ccc(/C=C2/SC(=S)N(CC(N)=O)C2=O)cc1 ZINC000727176244 734470311 /nfs/dbraw/zinc/47/03/11/734470311.db2.gz IGMARMCCTHRRDP-NTEUORMPSA-N 0 0 364.492 2.798 20 10 FFCDRN CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCc1ccc(N(C)C)cc1 ZINC000727985309 734510505 /nfs/dbraw/zinc/51/05/05/734510505.db2.gz FAQIIGLZOHYXES-JJKQHFEOSA-N 0 0 361.511 2.627 20 10 FFCDRN CCCCC(=O)N1CSC[C@@H]1C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000728979268 734552870 /nfs/dbraw/zinc/55/28/70/734552870.db2.gz 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C[C@H](NC(=O)NCc1nc2c(s1)COCC2)c1ccc(N(C)C)cc1 ZINC000922055962 738084675 /nfs/dbraw/zinc/08/46/75/738084675.db2.gz UOIOSXWNUSEMKF-LBPRGKRZSA-N 0 0 360.483 2.842 20 10 FFCDRN CCc1nnc2n1CCN(Cc1cc(Br)cc(C)c1O)C2 ZINC000775631631 738107776 /nfs/dbraw/zinc/10/77/76/738107776.db2.gz SVMMROGEDXCMFZ-UHFFFAOYSA-N 0 0 351.248 2.633 20 10 FFCDRN C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000775644976 738108790 /nfs/dbraw/zinc/10/87/90/738108790.db2.gz YZJQSHVLPQAEMK-LLVKDONJSA-N 0 0 354.859 2.886 20 10 FFCDRN COCc1cnc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)s1 ZINC000775686267 738113039 /nfs/dbraw/zinc/11/30/39/738113039.db2.gz GZOOPDHPFCXFAC-UHFFFAOYSA-N 0 0 370.858 2.824 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H]1CN(Cc2c(O)cccc2Cl)CCO1 ZINC000776017627 738152614 /nfs/dbraw/zinc/15/26/14/738152614.db2.gz QHEBNPGAWHHGMU-LBPRGKRZSA-N 0 0 356.850 2.771 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@](C)(O)C(F)(F)F)cc1F ZINC000776133722 738164378 /nfs/dbraw/zinc/16/43/78/738164378.db2.gz 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CN(C)c1ccc(CN(C)S(=O)(=O)CC2Cc3ccccc3C2)cc1 ZINC000786947635 739091772 /nfs/dbraw/zinc/09/17/72/739091772.db2.gz NYEGOZQSIWRXPV-UHFFFAOYSA-N 0 0 358.507 2.929 20 10 FFCDRN Cc1cc(C(=O)CSc2n[nH]c(CO)n2)c(C)n1-c1ccc(F)cc1 ZINC000787487408 739140767 /nfs/dbraw/zinc/14/07/67/739140767.db2.gz VNIPREHVVZMTNZ-UHFFFAOYSA-N 0 0 360.414 2.819 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)Cc2cc(C(C)(C)C)on2)cc1 ZINC000787918461 739187542 /nfs/dbraw/zinc/18/75/42/739187542.db2.gz MMMMXUVBEGDYNV-UHFFFAOYSA-N 0 0 351.472 2.658 20 10 FFCDRN O=C(N[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O)C1=CC(=O)CS1 ZINC000788013968 739197421 /nfs/dbraw/zinc/19/74/21/739197421.db2.gz WXCZATJFZVQPQV-AWEZNQCLSA-N 0 0 366.389 2.653 20 10 FFCDRN CC[C@@H]([NH2+][C@@H](C)c1cccc(C(F)(F)F)c1[O-])C(=O)N1CCOCC1 ZINC000788630258 739265600 /nfs/dbraw/zinc/26/56/00/739265600.db2.gz ZAVAFAGGPWGQQF-SMDDNHRTSA-N 0 0 360.376 2.699 20 10 FFCDRN Cc1nc(Cl)ccc1NC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000789744264 739384185 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COc1ccc(CNC(=O)NCc2cc(Cl)cc3c2OCC3)c(O)c1 ZINC000793047844 739735019 /nfs/dbraw/zinc/73/50/19/739735019.db2.gz DVZQCOZGFSINHN-UHFFFAOYSA-N 0 0 362.813 2.989 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccnn1[C@@H]1CCCOC1 ZINC000934672409 739821786 /nfs/dbraw/zinc/82/17/86/739821786.db2.gz JYGQKRKIHRIULE-CYBMUJFWSA-N 0 0 350.806 2.915 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Nc2nnn(C)c2C(F)F)cc1 ZINC000934819361 739850725 /nfs/dbraw/zinc/85/07/25/739850725.db2.gz NFIXHFUBMUFQRG-UHFFFAOYSA-N 0 0 352.389 2.921 20 10 FFCDRN COc1ccc(CNC(=O)c2csc(-c3ncccc3F)n2)c(O)c1 ZINC000794387135 739885718 /nfs/dbraw/zinc/88/57/18/739885718.db2.gz DUQNDZGNRIUKER-UHFFFAOYSA-N 0 0 359.382 2.988 20 10 FFCDRN COc1ccc(CNC(=O)c2csc(Nc3ccccn3)n2)c(O)c1 ZINC000794390937 739886351 /nfs/dbraw/zinc/88/63/51/739886351.db2.gz RUWWUWGDZUPYRR-UHFFFAOYSA-N 0 0 356.407 2.926 20 10 FFCDRN COc1ccc(CNC(=O)c2cccnc2OCC(F)(F)F)c(O)c1 ZINC000794389568 739886355 /nfs/dbraw/zinc/88/63/55/739886355.db2.gz RIVYSUJNSGYKIY-UHFFFAOYSA-N 0 0 356.300 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Cc1cc(Br)c([O-])c(C[NH2+]CCC(C)(C)S(C)(=O)=O)c1 ZINC000840960168 747242872 /nfs/dbraw/zinc/24/28/72/747242872.db2.gz FYLLCBHLDAXVFI-UHFFFAOYSA-N 0 0 364.305 2.766 20 10 FFCDRN C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@@H](C)[C@H]1NC(=O)C(F)(F)F ZINC000841299399 747314850 /nfs/dbraw/zinc/31/48/50/747314850.db2.gz KEMPRPBKWJJDGS-KWBADKCTSA-N 0 0 358.364 2.578 20 10 FFCDRN C[C@@H]1OC(=O)N[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841433602 747349496 /nfs/dbraw/zinc/34/94/96/747349496.db2.gz WSMOZSJCPLAUCI-BFQNTYOBSA-N 0 0 365.861 2.689 20 10 FFCDRN Cc1cc(C(=O)CON=C(N)C(F)(F)F)c(C)n1-c1ccc(F)cn1 ZINC000842034978 747505978 /nfs/dbraw/zinc/50/59/78/747505978.db2.gz GVXDDLADZSUHTI-UHFFFAOYSA-N 0 0 358.295 2.872 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cnn(C)c3SC)C2)cc1 ZINC000842874802 747711597 /nfs/dbraw/zinc/71/15/97/747711597.db2.gz IHFBNUQCFRLCON-CYBMUJFWSA-N 0 0 361.467 2.834 20 10 FFCDRN C[C@@H](CC(=O)N(C)Cc1ccccc1O)n1cc(Br)cn1 ZINC000843820852 747903241 /nfs/dbraw/zinc/90/32/41/747903241.db2.gz YKRKMAGXVBLRFW-NSHDSACASA-N 0 0 352.232 2.961 20 10 FFCDRN C[C@H]1CCn2ncc(C(=O)NCc3cccc(Br)c3O)c2C1 ZINC000843866092 747915255 /nfs/dbraw/zinc/91/52/55/747915255.db2.gz CXORIWBPWKCTKA-JTQLQIEISA-N 0 0 364.243 2.864 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)C[C@H](OC)C(F)(F)F)CC2)cc1 ZINC000844368019 748014285 /nfs/dbraw/zinc/01/42/85/748014285.db2.gz WCRDYIWVJJTVSQ-HNNXBMFYSA-N 0 0 360.376 2.748 20 10 FFCDRN COCc1csc(NC(=O)N(C)CCN(C)c2ccc(OC)cc2)n1 ZINC000844547877 748050247 /nfs/dbraw/zinc/05/02/47/748050247.db2.gz AQOMPWTXKWHDEO-UHFFFAOYSA-N 0 0 364.471 2.898 20 10 FFCDRN COc1ccc(N(C)CCN(C)Cn2nc3ccccn3c2=S)cc1 ZINC000844725967 748084651 /nfs/dbraw/zinc/08/46/51/748084651.db2.gz RDPFIPVVDNCHGS-UHFFFAOYSA-N 0 0 357.483 2.900 20 10 FFCDRN Cc1nn(C)c(C)c1CCCNC(=O)NCc1cc(Cl)ccc1O ZINC000845091495 748177799 /nfs/dbraw/zinc/17/77/99/748177799.db2.gz OQKRCBMQBZDOHC-UHFFFAOYSA-N 0 0 350.850 2.828 20 10 FFCDRN CO[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Br)c1O ZINC000845473689 748265789 /nfs/dbraw/zinc/26/57/89/748265789.db2.gz OYHBDHOSKBPYJL-CHWSQXEVSA-N 0 0 357.248 2.912 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000845915978 748352561 /nfs/dbraw/zinc/35/25/61/748352561.db2.gz VXDTVVLSTAYMJP-LSDHHAIUSA-N 0 0 351.830 2.983 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)CCc2cccs2)cc1 ZINC000845986672 748375551 /nfs/dbraw/zinc/37/55/51/748375551.db2.gz BFSSKOTUYVJWPO-UHFFFAOYSA-N 0 0 368.524 2.697 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)c2nc(C)c(C)s2)cc1 ZINC000845988029 748375794 /nfs/dbraw/zinc/37/57/94/748375794.db2.gz PQULAIAGWOBQDW-UHFFFAOYSA-N 0 0 369.512 2.525 20 10 FFCDRN C[C@@H](NC(=O)N1CC2(CC2(F)F)C1)c1ccc(N2CCOCC2)cc1 ZINC000847299214 748671591 /nfs/dbraw/zinc/67/15/91/748671591.db2.gz WZBJWCXVMNNGME-CYBMUJFWSA-N 0 0 351.397 2.635 20 10 FFCDRN COc1cccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c1F ZINC000848437674 748925437 /nfs/dbraw/zinc/92/54/37/748925437.db2.gz CLDKTMVBKTVZCN-UHFFFAOYSA-N 0 0 352.431 2.687 20 10 FFCDRN C[C@H](Cc1ccccn1)NC(=O)NCc1cc(Br)ccc1O ZINC000848671198 748981080 /nfs/dbraw/zinc/98/10/80/748981080.db2.gz VDJKQIWNOVTPEO-LLVKDONJSA-N 0 0 364.243 2.980 20 10 FFCDRN C[C@H](CC(F)(F)F)CS(=O)(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000849372835 749117156 /nfs/dbraw/zinc/11/71/56/749117156.db2.gz VHJWYMCYGCJIJP-SNVBAGLBSA-N 0 0 356.385 2.900 20 10 FFCDRN COc1cccc(CNS(=O)(=O)CCc2ccccc2Cl)c1O ZINC000849377093 749121186 /nfs/dbraw/zinc/12/11/86/749121186.db2.gz WGNWJVVASGUUNC-UHFFFAOYSA-N 0 0 355.843 2.716 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)Cc3ccccc3F)C2)cc1 ZINC000849416169 749142930 /nfs/dbraw/zinc/14/29/30/749142930.db2.gz LMOVFUNLLZTMLO-OAHLLOKOSA-N 0 0 364.442 2.533 20 10 FFCDRN NC(=O)CC1(C[NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCCCC1 ZINC000850412519 749361174 /nfs/dbraw/zinc/36/11/74/749361174.db2.gz FTVUBTGPYXFYFW-UHFFFAOYSA-N 0 0 355.822 2.869 20 10 FFCDRN COc1cc(F)ccc1S(=O)(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000851758952 749664718 /nfs/dbraw/zinc/66/47/18/749664718.db2.gz MWDQSYBXZANAPK-UHFFFAOYSA-N 0 0 356.394 2.518 20 10 FFCDRN C[C@@H]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC000851991713 749745181 /nfs/dbraw/zinc/74/51/81/749745181.db2.gz UXBBHQVQEGJXEK-QAPCUYQASA-N 0 0 363.527 2.997 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1cscn1 ZINC000852516547 749881087 /nfs/dbraw/zinc/88/10/87/749881087.db2.gz ROSVFJFYAOSNKE-AWEZNQCLSA-N 0 0 360.483 2.882 20 10 FFCDRN Cc1cc(CC(=O)OCC2(S(C)(=O)=O)CC2)c(C)n1-c1ccccc1 ZINC000853121496 750012646 /nfs/dbraw/zinc/01/26/46/750012646.db2.gz CVESTQNZFRMWKC-UHFFFAOYSA-N 0 0 361.463 2.757 20 10 FFCDRN OC1CCN(c2ccc(CNc3nnc(-c4ccon4)s3)cc2)CC1 ZINC000853955400 750209207 /nfs/dbraw/zinc/20/92/07/750209207.db2.gz NCERIYJKRRPXFN-UHFFFAOYSA-N 0 0 357.439 2.766 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000854653427 750345633 /nfs/dbraw/zinc/34/56/33/750345633.db2.gz MLDNBJINOQEVRW-BPJJOFIESA-N 0 0 358.360 2.502 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@@H]2CCCN(C(=O)C3=CC(=O)CS3)[C@@H]2C1 ZINC000854890331 750384799 /nfs/dbraw/zinc/38/47/99/750384799.db2.gz FLOOZCZSPDAZHW-WCQYABFASA-N 0 0 352.456 2.925 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ncnc3sccc32)cc1 ZINC000855019930 750410516 /nfs/dbraw/zinc/41/05/16/750410516.db2.gz BTMVAWWAPINXSV-UHFFFAOYSA-N 0 0 356.451 2.908 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000855023005 750411202 /nfs/dbraw/zinc/41/12/02/750411202.db2.gz OTNUMQASGLPYMQ-CABCVRRESA-N 0 0 350.846 2.843 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000029973085 845055177 /nfs/dbraw/zinc/05/51/77/845055177.db2.gz DEFRXHJMFVECDH-UHFFFAOYSA-N 0 0 369.830 2.793 20 10 FFCDRN Cc1nc2c(cnn2C)c(NCc2ccc(N3CCSCC3)cc2)n1 ZINC000054060823 845294153 /nfs/dbraw/zinc/29/41/53/845294153.db2.gz FDFZSLCMGNVXHM-UHFFFAOYSA-N 0 0 354.483 2.837 20 10 FFCDRN O=C(COC1CCCCC1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000055524428 845330613 /nfs/dbraw/zinc/33/06/13/845330613.db2.gz ZLNAPBUHDJPRHC-UHFFFAOYSA-N 0 0 350.434 2.628 20 10 FFCDRN CC(=O)c1ccc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000058511526 845398342 /nfs/dbraw/zinc/39/83/42/845398342.db2.gz ZKBOYOKUEIFRTJ-UHFFFAOYSA-N 0 0 358.463 2.750 20 10 FFCDRN C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)N(C)C)SC1=S ZINC000063453944 845463610 /nfs/dbraw/zinc/46/36/10/845463610.db2.gz FUVJCAPIEGMHAW-UVTDQMKNSA-N 0 0 362.476 2.541 20 10 FFCDRN CC(=O)NCc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000067163338 845498485 /nfs/dbraw/zinc/49/84/85/845498485.db2.gz KKYCMOYLOYWMCE-UHFFFAOYSA-N 0 0 357.479 2.914 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000072748240 845559844 /nfs/dbraw/zinc/55/98/44/845559844.db2.gz CLIMTMDWHKVQAE-UHFFFAOYSA-N 0 0 366.870 2.740 20 10 FFCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(-n2ccnn2)cc1 ZINC000180878168 970864391 /nfs/dbraw/zinc/86/43/91/970864391.db2.gz APYUJJABAPLDGP-FOWFJEMPSA-N 0 0 350.378 2.569 20 10 FFCDRN COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000895864039 971006193 /nfs/dbraw/zinc/00/61/93/971006193.db2.gz NBCMCBJHCBZBHG-YOEHRIQHSA-N 0 0 365.470 2.899 20 10 FFCDRN CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2c(O)cccc2Cl)C1=O ZINC001275837036 1013058738 /nfs/dbraw/zinc/05/87/38/1013058738.db2.gz AOQBFRMQKXMSIL-SGTLLEGYSA-N 0 0 350.846 2.590 20 10 FFCDRN COc1cc(N(C)Cc2ccc(-c3nn[nH]n3)cc2)cc(OC)c1OC ZINC000737054228 944939362 /nfs/dbraw/zinc/93/93/62/944939362.db2.gz OIFLTHPVTOSQMS-UHFFFAOYSA-N 0 0 355.398 2.529 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CC[C@@H]1CC[C@H](C2OCCO2)O1 ZINC000896058178 971195117 /nfs/dbraw/zinc/19/51/17/971195117.db2.gz PSYXWRQXVFZOTQ-FUHWJXTLSA-N 0 0 363.454 2.832 20 10 FFCDRN Cc1ccc(C(=O)NC[C@@H]2CCCCN2C(=O)OC(C)(C)C)c(O)c1O ZINC000780915586 971201155 /nfs/dbraw/zinc/20/11/55/971201155.db2.gz VJKVDSFCTVRNJK-ZDUSSCGKSA-N 0 0 364.442 2.926 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)c2nc[nH]n2)CCCC1 ZINC000651418751 971358360 /nfs/dbraw/zinc/35/83/60/971358360.db2.gz CUCOLYNDVRDZDS-GFCCVEGCSA-N 0 0 353.426 2.524 20 10 FFCDRN O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C3OCCO3)C2)ccc1N1CCCCC1 ZINC000896386071 971461204 /nfs/dbraw/zinc/46/12/04/971461204.db2.gz YAVNZWGHIDFYAO-MRXNPFEDSA-N 0 0 361.442 2.780 20 10 FFCDRN [O-]c1c(F)cccc1C[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826510732 948431994 /nfs/dbraw/zinc/43/19/94/948431994.db2.gz HZGQZAPDGBCNRV-UHFFFAOYSA-N 0 0 369.400 2.755 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)Cn3cncn3)c2C)cc1 ZINC000123352290 971703418 /nfs/dbraw/zinc/70/34/18/971703418.db2.gz LDOHKJHJOVRATM-CYBMUJFWSA-N 0 0 353.426 2.513 20 10 FFCDRN Cc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000053752794 971961324 /nfs/dbraw/zinc/96/13/24/971961324.db2.gz DICGZYDMXXZNKW-UHFFFAOYSA-N 0 0 357.429 2.970 20 10 FFCDRN NS(=O)(=O)c1cccc(Nc2ccccc2C(=O)c2ccncc2)c1 ZINC001174244638 1013134336 /nfs/dbraw/zinc/13/43/36/1013134336.db2.gz KQIPZXVSBIZEEG-UHFFFAOYSA-N 0 0 353.403 2.704 20 10 FFCDRN CC[C@@H](C)N1C[C@@]2(F)CN(Cc3ccc(Cl)cc3O)C[C@@]2(F)C1=O ZINC001275895385 1013154930 /nfs/dbraw/zinc/15/49/30/1013154930.db2.gz ZSBSQPCLBYRPCQ-ZTFRIQLXSA-N 0 0 358.816 2.919 20 10 FFCDRN CC(C)NC(=S)N1CCC[C@]12CCN(Cc1ccc(N(C)C)cc1)C2=O ZINC001279105885 959269109 /nfs/dbraw/zinc/26/91/09/959269109.db2.gz QTAFDCHKRSTLSY-HXUWFJFHSA-N 0 0 374.554 2.602 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603250997 972425147 /nfs/dbraw/zinc/42/51/47/972425147.db2.gz WZUSJTPXKLIMMP-ZOCIIQOWSA-N 0 0 360.498 2.873 20 10 FFCDRN CCOC(=O)[C@H]1CCCN(C(=O)c2c(C)oc(-n3cccc3)c2C#N)C1 ZINC000198646240 972443554 /nfs/dbraw/zinc/44/35/54/972443554.db2.gz GOVXJDFWQMWWFR-AWEZNQCLSA-N 0 0 355.394 2.666 20 10 FFCDRN COc1cccc(N2CC[C@H](NC(=O)NCc3ccc(N(C)C)cc3)C2)c1 ZINC000728220638 960045713 /nfs/dbraw/zinc/04/57/13/960045713.db2.gz NHBRXKGDJZRNPI-KRWDZBQOSA-N 0 0 368.481 2.839 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(CNC(N)=O)cc2)cc1 ZINC000728222280 960109565 /nfs/dbraw/zinc/10/95/65/960109565.db2.gz CXIFASSYPJMGGS-UHFFFAOYSA-N 0 0 368.481 2.973 20 10 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/nfs/dbraw/zinc/29/20/89/1013292089.db2.gz MFVXPAOTPXNCQQ-UHFFFAOYSA-N 0 0 367.430 2.964 20 10 FFCDRN CCC1(NC(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CCCC1 ZINC000891084273 961902392 /nfs/dbraw/zinc/90/23/92/961902392.db2.gz LOCHIAWOYKGHLZ-UHFFFAOYSA-N 0 0 372.513 2.910 20 10 FFCDRN C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000891086844 961921005 /nfs/dbraw/zinc/92/10/05/961921005.db2.gz GSZBXXKOOPSMPI-HZPDHXFCSA-N 0 0 372.513 2.576 20 10 FFCDRN Cc1ncccc1/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249237 962582948 /nfs/dbraw/zinc/58/29/48/962582948.db2.gz POUYDXGYYMWSFG-YPNIWSFNSA-N 0 0 352.482 2.888 20 10 FFCDRN COCC(C)(C)CCNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000873047993 1013363566 /nfs/dbraw/zinc/36/35/66/1013363566.db2.gz LNRZFXZDBQTWDQ-MRXNPFEDSA-N 0 0 363.502 2.883 20 10 FFCDRN Cc1cc(C(=O)OCC(=O)N2CCO[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000011313046 1013363951 /nfs/dbraw/zinc/36/39/51/1013363951.db2.gz FVLPGEDYTAKGHX-INIZCTEOSA-N 0 0 370.449 2.807 20 10 FFCDRN COCC(C)(C)CCNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000873114894 1013391460 /nfs/dbraw/zinc/39/14/60/1013391460.db2.gz ZDLOICLQVKDBGQ-UHFFFAOYSA-N 0 0 363.502 2.727 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3ccnn3CC3CC3)CC2)cc1 ZINC000160640224 963179711 /nfs/dbraw/zinc/17/97/11/963179711.db2.gz HEQCUEOZCFOUSI-UHFFFAOYSA-N 0 0 355.442 2.656 20 10 FFCDRN Cn1nc(C2CC2)nc1CC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000843562186 963423189 /nfs/dbraw/zinc/42/31/89/963423189.db2.gz NNNPBGXFPRTQLR-UHFFFAOYSA-N 0 0 373.420 2.583 20 10 FFCDRN Cc1nc2ccccc2n1CCCNC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588403755 963571171 /nfs/dbraw/zinc/57/11/71/963571171.db2.gz ZFQNKYDGDLAHHW-NTMALXAHSA-N 0 0 351.406 2.976 20 10 FFCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000588404481 963579339 /nfs/dbraw/zinc/57/93/39/963579339.db2.gz FRASPVMDVJHCBB-LUJNMSEFSA-N 0 0 366.417 2.765 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000588405246 963602142 /nfs/dbraw/zinc/60/21/42/963602142.db2.gz 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CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H]1CCN(C2CCC2)C1=O ZINC000875932300 1014097075 /nfs/dbraw/zinc/09/70/75/1014097075.db2.gz DINVULIUZDBWFB-IBGZPJMESA-N 0 0 372.513 2.826 20 10 FFCDRN CC1(C)N[C@@H](c2ccc(N3CCOCC3)cc2)N(CC2CCCC2)C1=O ZINC000840826454 973378276 /nfs/dbraw/zinc/37/82/76/973378276.db2.gz XUCMMFRVZAQJAX-LJQANCHMSA-N 0 0 357.498 2.922 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2n[nH]cc2c1 ZINC000125758213 1014124309 /nfs/dbraw/zinc/12/43/09/1014124309.db2.gz RCISKVWJEUGEHO-UHFFFAOYSA-N 0 0 352.394 2.646 20 10 FFCDRN COc1cc(N(C)CC(=O)NCCc2ccccc2C)cc(OC)c1OC ZINC000125784615 1014148168 /nfs/dbraw/zinc/14/81/68/1014148168.db2.gz FEKXLCOVJMKEEM-UHFFFAOYSA-N 0 0 372.465 2.816 20 10 FFCDRN Oc1ccc(C[C@H](O)c2nc(-c3cccc(-n4cccn4)c3)no2)cc1O ZINC001211664944 973992445 /nfs/dbraw/zinc/99/24/45/973992445.db2.gz CBGHKPYTCIVZSX-KRWDZBQOSA-N 0 0 364.361 2.610 20 10 FFCDRN COc1ccc(C[NH2+][C@H](C(=O)[O-])c2ccccc2)cc1Cn1cccn1 ZINC001604799925 974040613 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CC1(C(N)=O)CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC001141373254 975565349 /nfs/dbraw/zinc/56/53/49/975565349.db2.gz UYFSRWGAPXFTGC-UHFFFAOYSA-N 0 0 361.667 2.896 20 10 FFCDRN CC(C)(C)CC(=O)N1CCN(Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000876571739 1014307921 /nfs/dbraw/zinc/30/79/21/1014307921.db2.gz PGRPYEQBXHRQRU-UHFFFAOYSA-N 0 0 373.541 2.728 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2nnc(C)n2C)CCCC1 ZINC000649946128 1014309857 /nfs/dbraw/zinc/30/98/57/1014309857.db2.gz CALCFYMPSBUGJW-UHFFFAOYSA-N 0 0 353.426 2.604 20 10 FFCDRN CC(C)N(Cc1cn(C[C@@H]2CCCO2)nn1)Cc1ccc(N(C)C)cc1 ZINC000876584557 1014312300 /nfs/dbraw/zinc/31/23/00/1014312300.db2.gz JPBWPWGHPRGRMJ-FQEVSTJZSA-N 0 0 357.502 2.934 20 10 FFCDRN CC(C)Oc1cccc([C@H](C)NC(=O)C(=O)NCCc2ccc(N)cc2)c1 ZINC000842174274 976725022 /nfs/dbraw/zinc/72/50/22/976725022.db2.gz BMRHKERTPUGTBP-HNNXBMFYSA-N 0 0 369.465 2.592 20 10 FFCDRN CCC[C@@H](CCc1ccccc1)NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842192746 976762833 /nfs/dbraw/zinc/76/28/33/976762833.db2.gz VGTYIJAMGQELKJ-FQEVSTJZSA-N 0 0 367.493 2.845 20 10 FFCDRN Cc1ccc([C@@H]2CCCN2C(=O)C(=O)NCCc2ccc(N)cc2)cc1 ZINC000842242142 976978528 /nfs/dbraw/zinc/97/85/28/976978528.db2.gz OTUKLVWBFKXQDW-IBGZPJMESA-N 0 0 351.450 2.600 20 10 FFCDRN C[NH+]1CCN(c2ccc(CNC(=O)C3(Nc4ccccc4)CC3)cc2)CC1 ZINC000899212285 977023315 /nfs/dbraw/zinc/02/33/15/977023315.db2.gz SGXUTTKJBBBSSM-UHFFFAOYSA-N 0 0 364.493 2.699 20 10 FFCDRN CO[C@H]1COCC[C@@H]1CC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000825904845 1014399667 /nfs/dbraw/zinc/39/96/67/1014399667.db2.gz HAXURUPQQJVNNV-BEFAXECRSA-N 0 0 359.422 2.956 20 10 FFCDRN COc1ccc(OC)c(CNC(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000728943122 977763478 /nfs/dbraw/zinc/76/34/78/977763478.db2.gz HOGCEALGINERLY-LBPRGKRZSA-N 0 0 360.410 2.978 20 10 FFCDRN Cc1nc(C2(NCc3ccc(N4CCC(O)CC4)cc3)CCCC2)no1 ZINC000877001821 1014446917 /nfs/dbraw/zinc/44/69/17/1014446917.db2.gz JOXSOFCBAQSFPN-UHFFFAOYSA-N 0 0 356.470 2.898 20 10 FFCDRN CCOC(=O)C1=CC[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000877026040 1014454603 /nfs/dbraw/zinc/45/46/03/1014454603.db2.gz CWVIRVXQGYEOQK-HNNXBMFYSA-N 0 0 371.462 2.698 20 10 FFCDRN CCOC(=O)C1=CC[C@@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC000877026041 1014454864 /nfs/dbraw/zinc/45/48/64/1014454864.db2.gz CWVIRVXQGYEOQK-OAHLLOKOSA-N 0 0 371.462 2.698 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)CN2C(=O)CSc3ccccc32)c1 ZINC000728985355 978148314 /nfs/dbraw/zinc/14/83/14/978148314.db2.gz WOCNCBOPSWCIDR-LBPRGKRZSA-N 0 0 372.446 2.717 20 10 FFCDRN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000729262067 978219039 /nfs/dbraw/zinc/21/90/39/978219039.db2.gz LSIPFRMIRWUPBR-SFHVURJKSA-N 0 0 374.529 2.808 20 10 FFCDRN COC(=O)[C@H](NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)C1CC1 ZINC001126625592 979255047 /nfs/dbraw/zinc/25/50/47/979255047.db2.gz BVEVATUHXFNISL-HXUWFJFHSA-N 0 0 370.449 2.597 20 10 FFCDRN Cc1ncsc1CN1CC2(C1)CCCN(C(=O)c1ccc(O)c(O)c1)C2 ZINC001272002623 979495198 /nfs/dbraw/zinc/49/51/98/979495198.db2.gz HJXVGWMIBZRXQK-UHFFFAOYSA-N 0 0 373.478 2.601 20 10 FFCDRN CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000760205216 980230284 /nfs/dbraw/zinc/23/02/84/980230284.db2.gz RNMUVDTYGUFRKA-UHFFFAOYSA-N 0 0 371.403 2.750 20 10 FFCDRN CCc1c(C(=O)N(CC)Cc2ccc(N(C)C)cc2)[nH]c(C)c1C(N)=O ZINC000163361034 980390778 /nfs/dbraw/zinc/39/07/78/980390778.db2.gz FRDQGRHRLMRPNM-UHFFFAOYSA-N 0 0 356.470 2.713 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)c1cnccn1 ZINC000906318377 980626863 /nfs/dbraw/zinc/62/68/63/980626863.db2.gz XNPUHEZWNOYIIQ-KFWWJZLASA-N 0 0 372.444 2.649 20 10 FFCDRN Nc1cccc2c1C(=O)c1cccc(Nc3cnn4cccnc34)c1C2=O ZINC001205997338 1032101024 /nfs/dbraw/zinc/10/10/24/1032101024.db2.gz LQZOAEDTFQMUTL-UHFFFAOYSA-N 0 0 355.357 2.831 20 10 FFCDRN COc1cc([C@@H](C)NC(=O)NCCc2ccc(N)cc2)cc(OC)c1OC ZINC000841696416 981201793 /nfs/dbraw/zinc/20/17/93/981201793.db2.gz ZSHBURGORDYTBY-CYBMUJFWSA-N 0 0 373.453 2.898 20 10 FFCDRN COC(=O)CCc1ccccc1C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000907274972 981218527 /nfs/dbraw/zinc/21/85/27/981218527.db2.gz STIKTUWMLXWADH-ZDUSSCGKSA-N 0 0 357.406 2.564 20 10 FFCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NC[C@H]1COCCO1)N=[N+]=[N-] ZINC001168264110 981237764 /nfs/dbraw/zinc/23/77/64/981237764.db2.gz VCCZTPQAAXJMRF-QDECMSLZSA-N 0 0 361.402 2.740 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1nc2n(n1)CCCC2 ZINC000841725740 981304737 /nfs/dbraw/zinc/30/47/37/981304737.db2.gz NRYLFZORYAFKEQ-CQSZACIVSA-N 0 0 356.474 2.742 20 10 FFCDRN CCc1noc(C)c1NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000155522223 981542587 /nfs/dbraw/zinc/54/25/87/981542587.db2.gz IFXCYHWQHWCAMJ-UHFFFAOYSA-N 0 0 362.405 2.843 20 10 FFCDRN Cc1cc(C(=O)OCc2[nH]nc3c2COCC3)c(C)n1-c1ccccn1 ZINC000908867813 981552489 /nfs/dbraw/zinc/55/24/89/981552489.db2.gz OZUANKCMMDERNQ-UHFFFAOYSA-N 0 0 352.394 2.642 20 10 FFCDRN COC(=O)c1coc([C@@H](C)N2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000877983331 1014796907 /nfs/dbraw/zinc/79/69/07/1014796907.db2.gz KWNDZAZKZLKAPW-CQSZACIVSA-N 0 0 359.426 2.743 20 10 FFCDRN CC(C)(C)OC(=O)c1ccccc1CC(=O)NCc1ccc(O)cc1O ZINC000910957637 982100147 /nfs/dbraw/zinc/10/01/47/982100147.db2.gz UFGPAVJWERMAJR-UHFFFAOYSA-N 0 0 357.406 2.912 20 10 FFCDRN CCN1C(=O)C[C@@H](C(=O)NCc2ccc(O)cc2O)[C@H]1c1cccc(C)c1 ZINC000910958015 982101017 /nfs/dbraw/zinc/10/10/17/982101017.db2.gz VRRYXDFRRDFMSP-YLJYHZDGSA-N 0 0 368.433 2.632 20 10 FFCDRN CCCC[N@H+](CC(=O)NC1(C(=O)[O-])CCCCC1)Cc1ccccc1O ZINC001595742164 982404993 /nfs/dbraw/zinc/40/49/93/982404993.db2.gz VNRXOCXSOSUXLO-UHFFFAOYSA-N 0 0 362.470 2.898 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1 ZINC000841956850 982466893 /nfs/dbraw/zinc/46/68/93/982466893.db2.gz KJQWBNOCATXKGG-UHFFFAOYSA-N 0 0 372.513 2.682 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@H](c3cc(=O)[nH][nH]3)C2)c(C)n1-c1ccccn1 ZINC000898210466 982637900 /nfs/dbraw/zinc/63/79/00/982637900.db2.gz HBNOJOHHVLZOSX-CQSZACIVSA-N 0 0 351.410 2.548 20 10 FFCDRN C[C@H](NC(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1ccccc1O ZINC000878163550 1014893395 /nfs/dbraw/zinc/89/33/95/1014893395.db2.gz UFDNFSFMALXWPA-ZDUSSCGKSA-N 0 0 367.405 2.924 20 10 FFCDRN Cc1cccnc1[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000912158500 983963554 /nfs/dbraw/zinc/96/35/54/983963554.db2.gz CERKXWDFAGTIJZ-HNNXBMFYSA-N 0 0 372.444 2.926 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cnn(CCO)c2-c2ccccc2)cc1 ZINC000763955825 983973511 /nfs/dbraw/zinc/97/35/11/983973511.db2.gz ZBRAANCMQWAQNT-UHFFFAOYSA-N 0 0 364.449 2.538 20 10 FFCDRN CCOc1ccc(N(C)CC(=O)NCCc2ccc(OC)c(OC)c2)cc1 ZINC000150732424 984042284 /nfs/dbraw/zinc/04/22/84/984042284.db2.gz VCUILJBEZUASTJ-UHFFFAOYSA-N 0 0 372.465 2.898 20 10 FFCDRN O=C(CNC(=O)NC1CCCCC1)NCc1c(O)ccc2c1CCCC2 ZINC000156322919 984322099 /nfs/dbraw/zinc/32/20/99/984322099.db2.gz ITTFEAJBESAIMK-UHFFFAOYSA-N 0 0 359.470 2.519 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1[N+](=O)[O-] ZINC000055522737 984355224 /nfs/dbraw/zinc/35/52/24/984355224.db2.gz JWBJWMHGBKQBNU-UHFFFAOYSA-N 0 0 373.384 2.809 20 10 FFCDRN COc1ccnc(-c2noc(/C=C/c3cc(O)c(O)c(OC)c3)n2)c1F ZINC001212152786 984407144 /nfs/dbraw/zinc/40/71/44/984407144.db2.gz XKWQDHKSGAUHMU-ONEGZZNKSA-N 0 0 359.313 2.870 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](CO)OC[C@H]2C)c(C)n1-c1cc(C)cc(C)c1 ZINC000157072833 984454899 /nfs/dbraw/zinc/45/48/99/984454899.db2.gz MRWGLKSEPBAJJQ-APWZRJJASA-N 0 0 356.466 2.933 20 10 FFCDRN Cc1cc(C(=O)CN2CCN3C(=O)OCC[C@@H]3C2)c(C)n1-c1ccccc1 ZINC000764440279 984497553 /nfs/dbraw/zinc/49/75/53/984497553.db2.gz ZOCZWNAOZUHUNR-GOSISDBHSA-N 0 0 367.449 2.803 20 10 FFCDRN CN1CCCc2cc(CNC(=O)C(=O)Nc3ccc4ncccc4c3)ccc21 ZINC000057738670 984515410 /nfs/dbraw/zinc/51/54/10/984515410.db2.gz VHIHTSSVYLAPSO-UHFFFAOYSA-N 0 0 374.444 2.872 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@@H](O)CCc3ccccc3)CC2)cc1 ZINC000764858019 984758303 /nfs/dbraw/zinc/75/83/03/984758303.db2.gz BKLUTFJMGFVQBU-NRFANRHFSA-N 0 0 368.477 2.728 20 10 FFCDRN CCCNC(=O)C1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000060602063 984941204 /nfs/dbraw/zinc/94/12/04/984941204.db2.gz WSUGJYYZDNHJKS-UHFFFAOYSA-N 0 0 372.513 2.517 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)N[C@@H](Cc3ccccn3)C2=O)cc1F ZINC000761248399 985001229 /nfs/dbraw/zinc/00/12/29/985001229.db2.gz GOPKOMPVKXGHGF-KRWDZBQOSA-N 0 0 370.428 2.730 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC000785432422 985056975 /nfs/dbraw/zinc/05/69/75/985056975.db2.gz BTHRHOVVZGSVPD-OKZBNKHCSA-N 0 0 357.498 2.844 20 10 FFCDRN CCO[C@H]1C[C@@]2(NC(=O)N(Cc3ccc(N(C)C)cc3C)C2=O)C1(C)C ZINC000761357983 985225966 /nfs/dbraw/zinc/22/59/66/985225966.db2.gz RSMOMNQGSOUPQN-JXFKEZNVSA-N 0 0 359.470 2.687 20 10 FFCDRN Cc1ccc2cccc(NC(=O)C(=O)NCc3ccc(N(C)C)cc3)c2n1 ZINC000171337575 985266718 /nfs/dbraw/zinc/26/67/18/985266718.db2.gz LNXZGRNHOQJCFK-UHFFFAOYSA-N 0 0 362.433 2.864 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(-n3cccn3)nc2)c1 ZINC000171371838 985276231 /nfs/dbraw/zinc/27/62/31/985276231.db2.gz ADHGGWQYTWQNSF-LBPRGKRZSA-N 0 0 353.382 2.864 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3ccc(N4CCCC4)nc3)ccc21 ZINC000171403336 985281435 /nfs/dbraw/zinc/28/14/35/985281435.db2.gz WZVXDGUWOLZOLW-UHFFFAOYSA-N 0 0 350.466 2.994 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c(C)c1 ZINC000765688740 985295234 /nfs/dbraw/zinc/29/52/34/985295234.db2.gz FIGYLBWRMNKOHZ-UHFFFAOYSA-N 0 0 369.465 2.840 20 10 FFCDRN COc1cccc([C@H](O)CNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1 ZINC000171874068 985422307 /nfs/dbraw/zinc/42/23/07/985422307.db2.gz ZDLQVELCCLYAPU-LJQANCHMSA-N 0 0 365.433 2.961 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N(C)[C@@H]2CCc3ccccc32)cc1 ZINC000785439429 985470599 /nfs/dbraw/zinc/47/05/99/985470599.db2.gz OZYYBACPDNZALI-LJQANCHMSA-N 0 0 351.450 2.515 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)COc3ccccc3OC)C2)cc1 ZINC000062575018 985545968 /nfs/dbraw/zinc/54/59/68/985545968.db2.gz MPICVCQNGQACBJ-INIZCTEOSA-N 0 0 370.449 2.725 20 10 FFCDRN Cn1c(CNC(=O)NCc2ccc(N3CC=CC3)cc2)nc2ccccc21 ZINC000172595894 985607622 /nfs/dbraw/zinc/60/76/22/985607622.db2.gz MTRUPLPVLXOKFZ-UHFFFAOYSA-N 0 0 361.449 2.949 20 10 FFCDRN OCCOCCN(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 ZINC000172623155 985630815 /nfs/dbraw/zinc/63/08/15/985630815.db2.gz WIHJMHKDKQLQIS-QPJJXVBHSA-N 0 0 355.434 2.987 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H](c2cccc(F)c2)N2CCOCC2)cc1 ZINC000172697186 985641198 /nfs/dbraw/zinc/64/11/98/985641198.db2.gz SHGLNBUHQFLLIL-HXUWFJFHSA-N 0 0 371.456 2.581 20 10 FFCDRN Cc1cc(C(=O)NCC(=O)NCC(F)F)c(C)n1-c1cc(C)cc(C)c1 ZINC000796473080 1015148426 /nfs/dbraw/zinc/14/84/26/1015148426.db2.gz JHKVZGFMTRLESY-UHFFFAOYSA-N 0 0 363.408 2.822 20 10 FFCDRN Cc1ccc(S(=O)(=O)N(c2ccc(N)cc2)c2ccc(CO)nc2)cc1 ZINC001212379229 985797962 /nfs/dbraw/zinc/79/79/62/985797962.db2.gz IFBVVGCPVQBNTI-UHFFFAOYSA-N 0 0 369.446 2.992 20 10 FFCDRN Cc1cc(C(=O)CN(C)CC[C@@H](C)O)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000173570850 985895820 /nfs/dbraw/zinc/89/58/20/985895820.db2.gz SRRJAROSMGRBAH-OAHLLOKOSA-N 0 0 372.465 2.751 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2ccn(CCc3ccncc3)n2)c1 ZINC000173626079 985942568 /nfs/dbraw/zinc/94/25/68/985942568.db2.gz MRHIGCZLWHWVOW-UHFFFAOYSA-N 0 0 367.409 2.557 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CC(=O)N(C(C)(C)C)C2)c(C)n1-c1ccccn1 ZINC000174528609 986240436 /nfs/dbraw/zinc/24/04/36/986240436.db2.gz ROEFIHHNHKNATD-OAHLLOKOSA-N 0 0 354.454 2.618 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCc3nncn3CC2)cc1F ZINC000878784928 1015218953 /nfs/dbraw/zinc/21/89/53/1015218953.db2.gz IBFKSGAGYFKCRS-OAHLLOKOSA-N 0 0 359.449 2.532 20 10 FFCDRN C[C@H]1CN(c2cc[nH+]cc2)CCN1c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001594583942 986454336 /nfs/dbraw/zinc/45/43/36/986454336.db2.gz VGFNMULHHCAWDM-MFBWXBCUSA-N 0 0 368.393 2.803 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)NCC1CC(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000992430087 986812053 /nfs/dbraw/zinc/81/20/53/986812053.db2.gz MPRKUOSMTHTRON-RGODHZJXSA-N 0 0 371.441 2.520 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2=O)cc1)NCc1c(O)cccc1F ZINC000913951608 987058705 /nfs/dbraw/zinc/05/87/05/987058705.db2.gz IJUMOHIBMWZPLO-UHFFFAOYSA-N 0 0 357.385 2.658 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C1CCOCC1 ZINC000152485896 987237266 /nfs/dbraw/zinc/23/72/66/987237266.db2.gz YTBPMIWSOPYZRG-MRXNPFEDSA-N 0 0 360.498 2.574 20 10 FFCDRN COC(C)(C)[C@@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000914255135 987404218 /nfs/dbraw/zinc/40/42/18/987404218.db2.gz GIWSXFDERIGHGS-OAHLLOKOSA-N 0 0 363.502 2.508 20 10 FFCDRN C[C@@H]1CCC(C)(C)N1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000914290824 987424444 /nfs/dbraw/zinc/42/44/44/987424444.db2.gz ANNJZOYSRXSBNH-NVXWUHKLSA-N 0 0 372.513 2.861 20 10 FFCDRN C[C@H]1CCC(C)(C)N1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000914290823 987424872 /nfs/dbraw/zinc/42/48/72/987424872.db2.gz ANNJZOYSRXSBNH-DOTOQJQBSA-N 0 0 372.513 2.861 20 10 FFCDRN CN(C)C(=O)C[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccccc1 ZINC000914364927 987457090 /nfs/dbraw/zinc/45/70/90/987457090.db2.gz HXGILPOITPKKNA-MRXNPFEDSA-N 0 0 359.401 2.550 20 10 FFCDRN C[C@H](NC(=O)NC[C@]12CCC[C@H]1OCC2)c1ccc(N2CCOCC2)cc1 ZINC000914400164 987476282 /nfs/dbraw/zinc/47/62/82/987476282.db2.gz DEANMGMCEBLVMF-LDQXTDLNSA-N 0 0 373.497 2.843 20 10 FFCDRN C[C@H](NC(=O)N1CCn2cccc2C1)c1ccc(N2CCOCC2)cc1 ZINC000914400576 987477655 /nfs/dbraw/zinc/47/76/55/987477655.db2.gz OSICZCQBINWPRX-INIZCTEOSA-N 0 0 354.454 2.611 20 10 FFCDRN CC(C)n1ncc2cc(NC(=O)NCCc3ccc(O)c(O)c3)cnc21 ZINC000761622121 987609426 /nfs/dbraw/zinc/60/94/26/987609426.db2.gz FBIODCMTRPSEPL-UHFFFAOYSA-N 0 0 355.398 2.788 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cnn(Cc2ccccc2)c1 ZINC000761645555 987653944 /nfs/dbraw/zinc/65/39/44/987653944.db2.gz HJVYDFYUJVXWFP-UHFFFAOYSA-N 0 0 352.394 2.707 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc[n+]([O-])c2)cc1 ZINC000914454807 987695342 /nfs/dbraw/zinc/69/53/42/987695342.db2.gz AKHHGOOQNZLELC-UHFFFAOYSA-N 0 0 351.406 2.822 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCC(=O)NC(C)C)c2C)cc1 ZINC000914610335 987817376 /nfs/dbraw/zinc/81/73/76/987817376.db2.gz UCXNXJZYGMMVMI-UHFFFAOYSA-N 0 0 357.454 2.747 20 10 FFCDRN 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O=C(c1ccc2n[nH]c(=O)n2c1)N(Cc1ccco1)Cc1ccccc1O ZINC000763009215 988966515 /nfs/dbraw/zinc/96/65/15/988966515.db2.gz LPRDSKJKYCUWSN-UHFFFAOYSA-N 0 0 364.361 2.576 20 10 FFCDRN CC(=O)c1cncc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000888455347 988967265 /nfs/dbraw/zinc/96/72/65/988967265.db2.gz SLAHNWGZJBIIDP-AWEZNQCLSA-N 0 0 353.422 2.612 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCNC(=O)c1cccnc1 ZINC000125683774 988985065 /nfs/dbraw/zinc/98/50/65/988985065.db2.gz PVSAOJOKOFHVFY-UHFFFAOYSA-N 0 0 368.462 2.710 20 10 FFCDRN Cc1cc(CCNC(=O)N[C@H]2CCCCNC2=O)c(C)n1-c1ccccc1 ZINC000916221229 989761731 /nfs/dbraw/zinc/76/17/31/989761731.db2.gz UVHCWBKJHVMUGU-IBGZPJMESA-N 0 0 368.481 2.605 20 10 FFCDRN O=C(C[C@@H]1CCC2(CCC2)O1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000888290068 990083232 /nfs/dbraw/zinc/08/32/32/990083232.db2.gz XNNGPUDPTZPRNH-INIZCTEOSA-N 0 0 362.445 2.770 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2c[nH]c(C(N)=O)c2)cc1 ZINC000917095103 990132444 /nfs/dbraw/zinc/13/24/44/990132444.db2.gz 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990492653 /nfs/dbraw/zinc/49/26/53/990492653.db2.gz BPFNBKDWLBDHJK-UHFFFAOYSA-N 0 0 373.478 2.552 20 10 FFCDRN O=C(NCCNC(=O)c1ccccc1)NCc1c(O)ccc2c1CCCC2 ZINC000174870040 990492751 /nfs/dbraw/zinc/49/27/51/990492751.db2.gz HFVWOVKQRVJXNO-UHFFFAOYSA-N 0 0 367.449 2.500 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000919080657 990566932 /nfs/dbraw/zinc/56/69/32/990566932.db2.gz DGDRAURXKULPLU-AQYVVDRMSA-N 0 0 367.493 2.953 20 10 FFCDRN Cc1cccc(NCCNC(=O)NCc2ccc(N3CC=CC3)cc2)n1 ZINC000919918205 990759711 /nfs/dbraw/zinc/75/97/11/990759711.db2.gz KIROZCPZRLJCMO-UHFFFAOYSA-N 0 0 351.454 2.678 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C\C(=O)Nc3ccccc3)CC2)cc1 ZINC000920252339 990820190 /nfs/dbraw/zinc/82/01/90/990820190.db2.gz ZTWKWWPNBHCDAD-QXMHVHEDSA-N 0 0 365.433 2.539 20 10 FFCDRN CSc1cc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)ccn1 ZINC000920566571 990877033 /nfs/dbraw/zinc/87/70/33/990877033.db2.gz QEZVGDDFZJURFN-UHFFFAOYSA-N 0 0 373.478 2.685 20 10 FFCDRN CCN(CC)C(=O)CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000920764090 990916134 /nfs/dbraw/zinc/91/61/34/990916134.db2.gz UMMPOFVMJFPXKZ-UHFFFAOYSA-N 0 0 370.497 2.804 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCNC(=O)C[C@H]2c2ccccc2)c1O ZINC000175592739 991223795 /nfs/dbraw/zinc/22/37/95/991223795.db2.gz VTSVDJXVLAMBLN-SFHVURJKSA-N 0 0 356.397 2.797 20 10 FFCDRN CN(C)c1ccc(/C=C/C(=O)N2C[C@H]3C[C@@]3(C(=O)NC(C)(C)C)C2)cc1 ZINC001273191346 991363356 /nfs/dbraw/zinc/36/33/56/991363356.db2.gz CBXBKPSHAMZACQ-RNLWEFSASA-N 0 0 355.482 2.529 20 10 FFCDRN C[C@H](C(=O)NC(=O)Nc1ccccc1)N1CCOc2cc(N(C)C)ccc21 ZINC000181123574 991623696 /nfs/dbraw/zinc/62/36/96/991623696.db2.gz ZCIMKGRXHYCXAF-CQSZACIVSA-N 0 0 368.437 2.688 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCC[C@@H]3CCCCO3)CC2)cc1F ZINC000181859626 991896232 /nfs/dbraw/zinc/89/62/32/991896232.db2.gz FSPLDXXSQPUYSL-INIZCTEOSA-N 0 0 365.449 2.625 20 10 FFCDRN O=C(NCCCn1ccnn1)N(Cc1ccccc1O)C1CCCCC1 ZINC000182483408 992077069 /nfs/dbraw/zinc/07/70/69/992077069.db2.gz 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/nfs/dbraw/zinc/40/56/26/1000405626.db2.gz REPRYLVEOYKPDR-UHFFFAOYSA-N 0 0 371.506 2.977 20 10 FFCDRN CCc1cccc(CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c1 ZINC000846731134 1000417934 /nfs/dbraw/zinc/41/79/34/1000417934.db2.gz ADFCJCKXOQIGQK-UHFFFAOYSA-N 0 0 363.461 2.558 20 10 FFCDRN O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCCc2cc(O)c(O)cc2C1 ZINC001144987954 1000480534 /nfs/dbraw/zinc/48/05/34/1000480534.db2.gz GKEKOPPFEKIYLZ-MRXNPFEDSA-N 0 0 372.465 2.554 20 10 FFCDRN C[C@H]1CCC[C@@H](NC(=O)CN2CCN(Cc3ccc(N(C)C)cc3)CC2)C1 ZINC000769319850 1000491515 /nfs/dbraw/zinc/49/15/15/1000491515.db2.gz AOCSXTWKUQRODT-AZUAARDMSA-N 0 0 372.557 2.565 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)c1O ZINC000769503499 1000535419 /nfs/dbraw/zinc/53/54/19/1000535419.db2.gz KBDWEYJOTHVIAX-KGLIPLIRSA-N 0 0 364.442 2.710 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000769705699 1000582105 /nfs/dbraw/zinc/58/21/05/1000582105.db2.gz MEBBYLCHYXACJN-UHFFFAOYSA-N 0 0 373.390 2.671 20 10 FFCDRN Cc1cc2c(cc1NC(=O)/C=C/c1ccc(O)c(O)c1)sc(=O)n2C ZINC001146832210 1000776637 /nfs/dbraw/zinc/77/66/37/1000776637.db2.gz ANXLPCRGGKINMK-GQCTYLIASA-N 0 0 356.403 2.972 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](C(=O)N(C)C)C2)c(C)n1-c1cccc(C)c1 ZINC000839827941 1000823996 /nfs/dbraw/zinc/82/39/96/1000823996.db2.gz YDBROBSDBZUAIU-KRWDZBQOSA-N 0 0 353.466 2.953 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(Br)n1 ZINC001147870205 1000999285 /nfs/dbraw/zinc/99/92/85/1000999285.db2.gz HMIXRZLUWFGWDA-UHFFFAOYSA-N 0 0 363.259 2.967 20 10 FFCDRN COc1ccccc1[C@H](CO)NC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000771142944 1001028811 /nfs/dbraw/zinc/02/88/11/1001028811.db2.gz OJEKQNBULWUSOT-SFHVURJKSA-N 0 0 365.433 2.961 20 10 FFCDRN COc1ccc(F)c(CN2CCC(NC(=O)c3cccc(O)c3O)CC2)c1 ZINC001148224846 1001076328 /nfs/dbraw/zinc/07/63/28/1001076328.db2.gz WVYAWGQGTUCWLK-UHFFFAOYSA-N 0 0 374.412 2.640 20 10 FFCDRN Nc1cc(F)c(Br)cc1NC(=O)c1cc(O)c(O)c(O)c1 ZINC001148586696 1001175892 /nfs/dbraw/zinc/17/58/92/1001175892.db2.gz UNTICBZCOUIAFR-UHFFFAOYSA-N 0 0 357.135 2.540 20 10 FFCDRN Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000772999761 1001332215 /nfs/dbraw/zinc/33/22/15/1001332215.db2.gz LRSNHGQEEZFLGJ-ZDUSSCGKSA-N 0 0 366.469 2.617 20 10 FFCDRN CCOCCN(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000772444450 1001396114 /nfs/dbraw/zinc/39/61/14/1001396114.db2.gz QPXVKJJVDJCIAE-GASCZTMLSA-N 0 0 367.465 2.617 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cnn(C(F)F)c1 ZINC000772468970 1001405843 /nfs/dbraw/zinc/40/58/43/1001405843.db2.gz RZEMRLIATHYQDS-UHFFFAOYSA-N 0 0 365.384 2.779 20 10 FFCDRN COc1cccc(CNc2ccc(C)c(C(=O)N3CCOCC3)c2)c1O ZINC000785539658 1001451277 /nfs/dbraw/zinc/45/12/77/1001451277.db2.gz RRZDSTNKISGTDO-UHFFFAOYSA-N 0 0 356.422 2.794 20 10 FFCDRN Cc1ccc(N2CCNC2=O)cc1NCc1ccc(N2CCOCC2)cc1 ZINC000785549975 1001452541 /nfs/dbraw/zinc/45/25/41/1001452541.db2.gz GQEXRPHAVVVOEO-UHFFFAOYSA-N 0 0 366.465 2.973 20 10 FFCDRN COCC1(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)CCC1 ZINC000785888546 1001495237 /nfs/dbraw/zinc/49/52/37/1001495237.db2.gz WDEOTLFGKLLWEJ-HUUCEWRRSA-N 0 0 364.461 2.872 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3cncc(OC(C)C)n3)cc2)CC1 ZINC000786069087 1001519243 /nfs/dbraw/zinc/51/92/43/1001519243.db2.gz PIJMITAEIOYDGY-UHFFFAOYSA-N 0 0 369.469 2.544 20 10 FFCDRN Cc1ccc(N2CCNC2=O)cc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000786242496 1001562136 /nfs/dbraw/zinc/56/21/36/1001562136.db2.gz KEBCTJAVRZZRTR-UHFFFAOYSA-N 0 0 367.453 2.912 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc2n[nH]cc2c1 ZINC000746604434 1001627711 /nfs/dbraw/zinc/62/77/11/1001627711.db2.gz MZLJNYYFHVGNED-UHFFFAOYSA-N 0 0 364.449 2.702 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1cccc(C)c1 ZINC000787026803 1001654608 /nfs/dbraw/zinc/65/46/08/1001654608.db2.gz IECSYJNBRNFCQO-UHFFFAOYSA-N 0 0 353.466 2.726 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCc1ncnn1-c1ccccc1 ZINC000787241201 1001676453 /nfs/dbraw/zinc/67/64/53/1001676453.db2.gz FRQQGHXTGFDDDR-UHFFFAOYSA-N 0 0 364.453 2.641 20 10 FFCDRN COc1cc(O)c(CNc2cccc(N3CCNC3=O)c2C)cc1OC ZINC000787313467 1001684222 /nfs/dbraw/zinc/68/42/22/1001684222.db2.gz YOXGPPQRXYMBFZ-UHFFFAOYSA-N 0 0 357.410 2.860 20 10 FFCDRN Cc1cc(C(=O)COC(=O)CCn2ccnn2)c(C)n1-c1ccc(C)cc1 ZINC000787624323 1001701791 /nfs/dbraw/zinc/70/17/91/1001701791.db2.gz PKVDYJVTRXRUCG-UHFFFAOYSA-N 0 0 366.421 2.810 20 10 FFCDRN Cc1cccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000788148897 1001762506 /nfs/dbraw/zinc/76/25/06/1001762506.db2.gz SFGRTKXSFNTMKE-UHFFFAOYSA-N 0 0 368.481 2.509 20 10 FFCDRN COC(=O)c1nccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC000788110841 1001763239 /nfs/dbraw/zinc/76/32/39/1001763239.db2.gz PROOTUVYXYBIRS-UHFFFAOYSA-N 0 0 350.378 2.923 20 10 FFCDRN Cc1cc(CCNC(=O)NC[C@H](O)C(F)(F)F)c(C)n1-c1ccccc1 ZINC000788689554 1001842659 /nfs/dbraw/zinc/84/26/59/1001842659.db2.gz HBQKXCZMYYUZCZ-INIZCTEOSA-N 0 0 369.387 2.859 20 10 FFCDRN COc1ccc(C(C)(C)CC(=O)NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001182438646 1001855274 /nfs/dbraw/zinc/85/52/74/1001855274.db2.gz DXRRMMAFIZHIND-UHFFFAOYSA-N 0 0 357.406 2.773 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCC(=O)c4cccn43)CC2)cc1F ZINC000788757886 1001858285 /nfs/dbraw/zinc/85/82/85/1001858285.db2.gz KYZUKFPZBVSMHK-KRWDZBQOSA-N 0 0 371.412 2.502 20 10 FFCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1C)c1ccccc1 ZINC000774402742 1001896708 /nfs/dbraw/zinc/89/67/08/1001896708.db2.gz LEZRYVSOZSOOPL-IBGZPJMESA-N 0 0 353.466 2.945 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CC[C@H]1c1ccccc1 ZINC000788910943 1001917419 /nfs/dbraw/zinc/91/74/19/1001917419.db2.gz IMTFIDRWJNCMBQ-FQEVSTJZSA-N 0 0 363.461 2.877 20 10 FFCDRN CC[C@]1(C)CCCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788933567 1001924877 /nfs/dbraw/zinc/92/48/77/1001924877.db2.gz QQESSQWOANESNU-OAQYLSRUSA-N 0 0 357.498 2.942 20 10 FFCDRN CCOC1CC(C[NH2+][C@H](C)c2cc(F)cc(F)c2[O-])(N2CCOCC2)C1 ZINC000774475456 1001925519 /nfs/dbraw/zinc/92/55/19/1001925519.db2.gz JLPSMTATROIUCL-VZDIAYEVSA-N 0 0 370.440 2.591 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCC2CCCCC2)cc1F ZINC000774494103 1001930551 /nfs/dbraw/zinc/93/05/51/1001930551.db2.gz CPJYJEIACDPLEF-UHFFFAOYSA-N 0 0 363.477 2.985 20 10 FFCDRN CCOC(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)nc1C ZINC000746805008 1002053879 /nfs/dbraw/zinc/05/38/79/1002053879.db2.gz FBLRXRHYVGHPOI-UHFFFAOYSA-N 0 0 359.401 2.702 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)ccc21 ZINC000746813108 1002066692 /nfs/dbraw/zinc/06/66/92/1002066692.db2.gz RUYJKFOBABILLO-SFHVURJKSA-N 0 0 363.461 2.738 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@H]3CC(=O)N(C4CCCCC4)C3)ccc21 ZINC000746813511 1002067112 /nfs/dbraw/zinc/06/71/12/1002067112.db2.gz UZVXFTKOSYCHHL-SFHVURJKSA-N 0 0 369.509 2.866 20 10 FFCDRN C[C@H](NC(=O)c1ccnc(O[C@H]2CCOC2)c1)c1ccc(N(C)C)cc1 ZINC000773022505 1002148954 /nfs/dbraw/zinc/14/89/54/1002148954.db2.gz GUUDOUHWRHHPLX-KSSFIOAISA-N 0 0 355.438 2.806 20 10 FFCDRN C[C@H](NC(=O)c1ccnc(O[C@@H]2CCOC2)c1)c1ccc(N(C)C)cc1 ZINC000773022500 1002149139 /nfs/dbraw/zinc/14/91/39/1002149139.db2.gz GUUDOUHWRHHPLX-KBXCAEBGSA-N 0 0 355.438 2.806 20 10 FFCDRN Cc1cc(C)c(N2CC[C@@H](NC(=O)c3cccc(O)c3O)C2=O)c(C)c1 ZINC000789894284 1002228606 /nfs/dbraw/zinc/22/86/06/1002228606.db2.gz HDTOZXGRJSIGRH-OAHLLOKOSA-N 0 0 354.406 2.558 20 10 FFCDRN C[C@H](NC(=O)c1c[nH]nc1-c1ccoc1)c1ccc(N2CCOCC2)cc1 ZINC000789909756 1002233863 /nfs/dbraw/zinc/23/38/63/1002233863.db2.gz DPIDRHYDYRQBJG-AWEZNQCLSA-N 0 0 366.421 2.997 20 10 FFCDRN Cc1cccc(CN2CCO[C@H](C[NH2+]Cc3cc(F)c(F)cc3[O-])C2)c1 ZINC001183370462 1002260729 /nfs/dbraw/zinc/26/07/29/1002260729.db2.gz FOTREFAKUNZKHE-QGZVFWFLSA-N 0 0 362.420 2.969 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C(C)C)C(C)(C)O)CC2)cc1 ZINC000790283008 1002317921 /nfs/dbraw/zinc/31/79/21/1002317921.db2.gz BSFVNQBZAGDEFI-SFHVURJKSA-N 0 0 363.502 2.759 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCSC[C@@H]1c1cnn(C)c1 ZINC000790373056 1002359882 /nfs/dbraw/zinc/35/98/82/1002359882.db2.gz BUJOONULNYTIKG-GOSISDBHSA-N 0 0 373.526 2.794 20 10 FFCDRN CN1CCCc2cc(CNC(=O)C(=O)NCCC3=CCCCC3)ccc21 ZINC000774685496 1002408639 /nfs/dbraw/zinc/40/86/39/1002408639.db2.gz HTXWRRYBLNLOQY-UHFFFAOYSA-N 0 0 355.482 2.692 20 10 FFCDRN COc1c([O-])c(C[NH2+]CCc2ccc3c(c2)OCCCO3)ccc1[N+](=O)[O-] ZINC001183865931 1002428845 /nfs/dbraw/zinc/42/88/45/1002428845.db2.gz WLFFJRLCBGLRSB-UHFFFAOYSA-N 0 0 374.393 2.803 20 10 FFCDRN CCCOCCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O ZINC001184075087 1002478021 /nfs/dbraw/zinc/47/80/21/1002478021.db2.gz GMPWIOLAOQVVOG-OAHLLOKOSA-N 0 0 366.458 2.891 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)OC)c([N+](=O)[O-])c1 ZINC000790783314 1002488284 /nfs/dbraw/zinc/48/82/84/1002488284.db2.gz YYOSVPCGLHKGQG-OHPUWRGGSA-N 0 0 374.393 2.559 20 10 FFCDRN Cc1ccc(CNC(=O)c2cccc(O)c2O)c(OC[C@H]2CCOC2)c1 ZINC000790874603 1002505207 /nfs/dbraw/zinc/50/52/07/1002505207.db2.gz SDZABUVVQVJZSW-AWEZNQCLSA-N 0 0 357.406 2.752 20 10 FFCDRN O=C([C@@H]1CCOc2ccccc2O1)N1CCCc2cc(O)c(O)cc2C1 ZINC001184712987 1002693930 /nfs/dbraw/zinc/69/39/30/1002693930.db2.gz FAMASPBUBBHOTO-IBGZPJMESA-N 0 0 355.390 2.603 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)OCC(=O)c3cnccn3)c2C)cc1 ZINC000791539391 1002729154 /nfs/dbraw/zinc/72/91/54/1002729154.db2.gz YUJRBQPNBLZKFQ-UHFFFAOYSA-N 0 0 365.389 2.932 20 10 FFCDRN COc1c(O)c(CN(C)Cc2nc3ccccc3c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000774820305 1002807323 /nfs/dbraw/zinc/80/73/23/1002807323.db2.gz IWBJTPDCKJCZIL-UHFFFAOYSA-N 0 0 370.365 2.590 20 10 FFCDRN COc1c(O)c(CN(C)[C@@H]2CCN(c3ccccc3)C2=O)ccc1[N+](=O)[O-] ZINC000774876617 1002940065 /nfs/dbraw/zinc/94/00/65/1002940065.db2.gz BOKYCTABZQOUMI-MRXNPFEDSA-N 0 0 371.393 2.546 20 10 FFCDRN CC[C@@H](C)n1ncc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1C ZINC000792225372 1002945146 /nfs/dbraw/zinc/94/51/46/1002945146.db2.gz RAPBEKWBOGKDER-NEPJUHHUSA-N 0 0 374.441 2.693 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2nc3ccccc3[nH]2)c1 ZINC000103507354 1003063628 /nfs/dbraw/zinc/06/36/28/1003063628.db2.gz GUXQSSQDHDCJIG-GFCCVEGCSA-N 0 0 354.410 2.880 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(N3CCCC3)nc2)c1 ZINC000103508721 1003064673 /nfs/dbraw/zinc/06/46/73/1003064673.db2.gz GTEROELJZXMDKY-CQSZACIVSA-N 0 0 370.453 2.956 20 10 FFCDRN CC(C)(C)C(=O)Nc1ccc(C(=O)NCC(=O)c2ccc(O)c(O)c2)cc1 ZINC001185852349 1003095041 /nfs/dbraw/zinc/09/50/41/1003095041.db2.gz ZUIHAMMZSBRDSL-UHFFFAOYSA-N 0 0 370.405 2.695 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 ZINC000103530601 1003102858 /nfs/dbraw/zinc/10/28/58/1003102858.db2.gz MLJKYRXULGDOOO-HOCLYGCPSA-N 0 0 368.433 2.627 20 10 FFCDRN O=C(CNc1nc(Cl)ncc1Br)c1ccc(O)c(O)c1 ZINC001170315373 1003106475 /nfs/dbraw/zinc/10/64/75/1003106475.db2.gz WLWRJUSUQFEWIL-UHFFFAOYSA-N 0 0 358.579 2.599 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1 ZINC000103576275 1003149639 /nfs/dbraw/zinc/14/96/39/1003149639.db2.gz UOMROUQQGGMFNE-QMMMGPOBSA-N 0 0 371.315 2.991 20 10 FFCDRN CN(C)c1ccc(/C=C/c2ccc(NC(=O)CN3CC[C@@H](O)C3)cc2)cc1 ZINC001186046279 1003172971 /nfs/dbraw/zinc/17/29/71/1003172971.db2.gz AWWIUKMWPMENHE-YEFOHOTDSA-N 0 0 365.477 2.928 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3OC)CC2)cc1 ZINC000792800826 1003185136 /nfs/dbraw/zinc/18/51/36/1003185136.db2.gz HMCIXYHPEGSBOL-UHFFFAOYSA-N 0 0 371.393 2.574 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccc(N3CCCCC3)nc2)c(O)c1 ZINC000792818614 1003194682 /nfs/dbraw/zinc/19/46/82/1003194682.db2.gz CREJXWUYVGEYFF-UHFFFAOYSA-N 0 0 370.453 2.786 20 10 FFCDRN CN(c1ccc(CNC(=O)N2CC[C@@](C)(C(N)=O)C2)cc1)C1CCCCC1 ZINC000792865869 1003204205 /nfs/dbraw/zinc/20/42/05/1003204205.db2.gz ZGIPAJPUJRMRCU-OAQYLSRUSA-N 0 0 372.513 2.862 20 10 FFCDRN CCc1noc2ncc(S(=O)(=O)N[C@H](C)c3ccc(N(C)C)cc3)cc12 ZINC000773089086 1003224818 /nfs/dbraw/zinc/22/48/18/1003224818.db2.gz RGFYITSPYKRECH-GFCCVEGCSA-N 0 0 374.466 2.891 20 10 FFCDRN COc1ccc(CNC(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000792972103 1003242101 /nfs/dbraw/zinc/24/21/01/1003242101.db2.gz TXCNENSEKUXWFC-UHFFFAOYSA-N 0 0 367.446 2.503 20 10 FFCDRN COc1ccc(CNC(=O)NC[C@@H]2COC3(CCCCCC3)O2)c(O)c1 ZINC000793040140 1003261681 /nfs/dbraw/zinc/26/16/81/1003261681.db2.gz HCNBWCKPWSSFTG-MRXNPFEDSA-N 0 0 364.442 2.666 20 10 FFCDRN COC(=O)[C@H]1C[C@H](OC)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000793053849 1003266800 /nfs/dbraw/zinc/26/68/00/1003266800.db2.gz KEEKOTYKYVUZPH-GDBMZVCRSA-N 0 0 374.403 2.924 20 10 FFCDRN O=C(Cc1ccc2n[nH]cc2c1)NCc1ccc(N2CCSCC2)cc1 ZINC000793104866 1003281403 /nfs/dbraw/zinc/28/14/03/1003281403.db2.gz FXLFAPVGBZAGBY-UHFFFAOYSA-N 0 0 366.490 2.975 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1COCCN1C1CCCC1 ZINC000793239771 1003317182 /nfs/dbraw/zinc/31/71/82/1003317182.db2.gz GCKHGBYWYHMQHI-OAQYLSRUSA-N 0 0 371.525 2.937 20 10 FFCDRN COc1ccc(N2CCOC[C@]3(CCCN(C(=O)NCC4CC4)C3)C2)cc1 ZINC001186592027 1003369984 /nfs/dbraw/zinc/36/99/84/1003369984.db2.gz WLEVKGLWQDGWBQ-OAQYLSRUSA-N 0 0 373.497 2.734 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H]2COC3(CCC(C)CC3)O2)ccc1[N+](=O)[O-] ZINC000775051085 1003419382 /nfs/dbraw/zinc/41/93/82/1003419382.db2.gz KIGVCAYFFWDNJU-FHBSJOOWSA-N 0 0 366.414 2.720 20 10 FFCDRN C[C@H]1C[C@H](Nc2cccc(C(=O)N(C)CC(N)=O)c2)c2c1c(F)ccc2O ZINC000793564278 1003425062 /nfs/dbraw/zinc/42/50/62/1003425062.db2.gz LOXRFYLBEVPSJT-NHYWBVRUSA-N 0 0 371.412 2.749 20 10 FFCDRN COc1c(O)c(CNc2cnn(Cc3ccncc3)c2)ccc1[N+](=O)[O-] ZINC000775049177 1003425984 /nfs/dbraw/zinc/42/59/84/1003425984.db2.gz TYUPFENTEVWYNE-UHFFFAOYSA-N 0 0 355.354 2.561 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1cccc(C)c1 ZINC000793829478 1003509244 /nfs/dbraw/zinc/50/92/44/1003509244.db2.gz VDPYMVTUVGKBIV-UHFFFAOYSA-N 0 0 354.450 2.798 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000775068299 1003516526 /nfs/dbraw/zinc/51/65/26/1003516526.db2.gz LLTGKLJWTNHGPG-YOEHRIQHSA-N 0 0 371.437 2.919 20 10 FFCDRN Cc1cccc(CNS(=O)(=O)c2c(Cl)nc3sccn32)c1O ZINC001187163186 1003575262 /nfs/dbraw/zinc/57/52/62/1003575262.db2.gz CHFRIWGJYHQGOM-UHFFFAOYSA-N 0 0 357.844 2.542 20 10 FFCDRN COc1ccc(CNC(=O)c2cccc(OCc3noc(C)n3)c2)c(O)c1 ZINC000794376414 1003619573 /nfs/dbraw/zinc/61/95/73/1003619573.db2.gz FSQKQQHNZTVXPO-UHFFFAOYSA-N 0 0 369.377 2.601 20 10 FFCDRN COc1ccc(CNC(=O)c2cn(C)nc2-c2ccccc2OC)c(O)c1 ZINC000794379396 1003620926 /nfs/dbraw/zinc/62/09/26/1003620926.db2.gz QWXGAFXSRYIJKW-UHFFFAOYSA-N 0 0 367.405 2.740 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(N3CCC(C)CC3)nc2)c(O)c1 ZINC000794383508 1003621855 /nfs/dbraw/zinc/62/18/55/1003621855.db2.gz QLRRAMZOEIMYOL-UHFFFAOYSA-N 0 0 355.438 2.962 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc3ccn(C)c(=O)c3c2)c(O)c1 ZINC000794383745 1003621878 /nfs/dbraw/zinc/62/18/78/1003621878.db2.gz KDKQQYKCFDGCNP-UHFFFAOYSA-N 0 0 353.378 2.574 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCCc2sccc21 ZINC000804381597 1003630966 /nfs/dbraw/zinc/63/09/66/1003630966.db2.gz PAVXXCJJCLFKQH-KRWDZBQOSA-N 0 0 371.506 2.933 20 10 FFCDRN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1NC(=O)c1cccc(O)c1O ZINC000804845694 1003855829 /nfs/dbraw/zinc/85/58/29/1003855829.db2.gz PRMGHPIKPWJRJP-JMSVASOKSA-N 0 0 364.442 2.862 20 10 FFCDRN CCOC(=O)c1cccc(CNC(=S)Nc2ccc(C(C)=O)cc2)n1 ZINC001196578364 1003862038 /nfs/dbraw/zinc/86/20/38/1003862038.db2.gz JNEQIAJZQCYGQA-UHFFFAOYSA-N 0 0 357.435 2.948 20 10 FFCDRN CC(C)NC(=O)OC[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000804926425 1003912370 /nfs/dbraw/zinc/91/23/70/1003912370.db2.gz FXQBBRFQISVHTP-SOIVGHGOSA-N 0 0 362.426 2.627 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](C4CC4)C3)cc2)CC1 ZINC000805025085 1003924182 /nfs/dbraw/zinc/92/41/82/1003924182.db2.gz IJZFZKMSPWSSSU-IBGZPJMESA-N 0 0 369.509 2.798 20 10 FFCDRN C[C@@H](NC(=O)c1ccc2oc(=O)[nH]c2c1)c1ccc(N2CCOCC2)cc1 ZINC000805170892 1003957612 /nfs/dbraw/zinc/95/76/12/1003957612.db2.gz JHEWHZVLCZHLGV-CYBMUJFWSA-N 0 0 367.405 2.861 20 10 FFCDRN COC(=O)[C@H](COC(C)(C)C)NC(=O)NCc1cc2ccccc2cc1O ZINC001191931829 1004001689 /nfs/dbraw/zinc/00/16/89/1004001689.db2.gz UKUTXMGNRPPZHI-INIZCTEOSA-N 0 0 374.437 2.701 20 10 FFCDRN CCOC(=O)C[C@H](OC(=O)c1cc(C)n(-c2ccccn2)c1C)C(C)=O ZINC000805390608 1004006664 /nfs/dbraw/zinc/00/66/64/1004006664.db2.gz MJWNIUBQBWKJFT-INIZCTEOSA-N 0 0 358.394 2.557 20 10 FFCDRN O=S(=O)(Cc1ccc(Cl)cc1F)NCCc1ccc(O)c(O)c1 ZINC001191916050 1004012046 /nfs/dbraw/zinc/01/20/46/1004012046.db2.gz WWNKGIDLNQCYSB-UHFFFAOYSA-N 0 0 359.806 2.552 20 10 FFCDRN O=C1CC[C@H](NS(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CN1 ZINC001197187019 1004098911 /nfs/dbraw/zinc/09/89/11/1004098911.db2.gz SCSMHRQLSNVMMS-CVTQAYBASA-N 0 0 358.423 2.659 20 10 FFCDRN COC(=O)c1cccnc1CNC(=S)Nc1c(F)c(F)cc(F)c1F ZINC001197425807 1004219054 /nfs/dbraw/zinc/21/90/54/1004219054.db2.gz QTZSRBZSBQYKDZ-UHFFFAOYSA-N 0 0 373.331 2.911 20 10 FFCDRN COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccccc3O)C2=O)c(OC)c1 ZINC000806169240 1004244670 /nfs/dbraw/zinc/24/46/70/1004244670.db2.gz CLGAXCQDEWDEIW-KDOFPFPSSA-N 0 0 370.449 2.861 20 10 FFCDRN Cc1cc(CCNC(=O)N2CC[C@H](CC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000806346087 1004297789 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CN(C)c1ccc(-c2nc(C(=O)N[C@H]3CCc4n[nH]cc4C3)cs2)cc1 ZINC001193176269 1004385598 /nfs/dbraw/zinc/38/55/98/1004385598.db2.gz RWPYTRPBDWTVIW-AWEZNQCLSA-N 0 0 367.478 2.887 20 10 FFCDRN COc1cc(NC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)ccn1 ZINC000806663198 1004391094 /nfs/dbraw/zinc/39/10/94/1004391094.db2.gz UEOWZKJSKILWIU-UHFFFAOYSA-N 0 0 360.389 2.592 20 10 FFCDRN Cc1cnc(CCNC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)nc1 ZINC001193161674 1004394260 /nfs/dbraw/zinc/39/42/60/1004394260.db2.gz PATDDFIHSAYUDS-UHFFFAOYSA-N 0 0 367.478 2.947 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCCc1ccccc1 ZINC000104046703 1004398993 /nfs/dbraw/zinc/39/89/93/1004398993.db2.gz JVDVURPVKFQZSD-UHFFFAOYSA-N 0 0 367.493 2.850 20 10 FFCDRN O=C(c1ccc(O)c(O)c1Cl)N1CCN(c2noc3ccccc32)CC1 ZINC001193208950 1004403115 /nfs/dbraw/zinc/40/31/15/1004403115.db2.gz BRZYPQQDGAIPMH-UHFFFAOYSA-N 0 0 373.796 2.855 20 10 FFCDRN CCN(C)C(=O)c1cccc(NC(=O)NCc2cc(OC)ccc2O)c1 ZINC000806773500 1004409058 /nfs/dbraw/zinc/40/90/58/1004409058.db2.gz 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1004509196 /nfs/dbraw/zinc/50/91/96/1004509196.db2.gz OJRFXSBQQDXDRC-UHFFFAOYSA-N 0 0 353.466 2.644 20 10 FFCDRN Cc1c(C(=O)NC[C@@H](O)CO)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193559448 1004520926 /nfs/dbraw/zinc/52/09/26/1004520926.db2.gz JLCLVAJUUIUJLF-GOSISDBHSA-N 0 0 350.418 2.536 20 10 FFCDRN Cc1cnc(C(=O)Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)nc1 ZINC001194073064 1004646438 /nfs/dbraw/zinc/64/64/38/1004646438.db2.gz JFAZAIISRJYNOZ-UHFFFAOYSA-N 0 0 359.341 2.518 20 10 FFCDRN CC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1c(C)noc1C ZINC000807671564 1004653120 /nfs/dbraw/zinc/65/31/20/1004653120.db2.gz TWJVAMZOLWGBNN-SJCJKPOMSA-N 0 0 372.469 2.802 20 10 FFCDRN CC(C)N(Cc1ccccn1)C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000807680034 1004660797 /nfs/dbraw/zinc/66/07/97/1004660797.db2.gz YYXDZMKURYYUDF-INIZCTEOSA-N 0 0 368.481 2.762 20 10 FFCDRN Cc1cccc2c1CN(C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)CC2 ZINC000807679029 1004661072 /nfs/dbraw/zinc/66/10/72/1004661072.db2.gz MEZQXHLNCFDBFF-INIZCTEOSA-N 0 0 365.477 2.823 20 10 FFCDRN Cc1cc(C)c(CNC(=O)c2cnc(NCC3CCOCC3)nc2)c(O)c1 ZINC001198683154 1004709106 /nfs/dbraw/zinc/70/91/06/1004709106.db2.gz NBFDSWPWTKISEU-UHFFFAOYSA-N 0 0 370.453 2.568 20 10 FFCDRN COc1ccc(-n2c(SCC(=O)C(C)=O)nnc2-c2ccccn2)cc1 ZINC000808025796 1004741925 /nfs/dbraw/zinc/74/19/25/1004741925.db2.gz FRNLWMQMXWYQJY-UHFFFAOYSA-N 0 0 368.418 2.588 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@@H]3C(=O)OCC3(C)C)c2C)cc1 ZINC000808107239 1004752991 /nfs/dbraw/zinc/75/29/91/1004752991.db2.gz JZTOUAIEVFULLL-QGZVFWFLSA-N 0 0 356.422 2.784 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000808158635 1004764272 /nfs/dbraw/zinc/76/42/72/1004764272.db2.gz GVBOTJDGVHNXMF-RTBURBONSA-N 0 0 367.493 2.684 20 10 FFCDRN O=C(c1cc(OCC(F)(F)F)ccn1)N1CCc2cccc(O)c2C1 ZINC001199024782 1004807415 /nfs/dbraw/zinc/80/74/15/1004807415.db2.gz HLCCASZOWBKPFM-UHFFFAOYSA-N 0 0 352.312 2.927 20 10 FFCDRN CCNC(=S)N1CCC[C@]2(C1)COCCN(c1ccc(OC)cc1)C2 ZINC001195319833 1004941699 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FFCDRN CC[C@H](NC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1)[C@H]1CCCO1 ZINC000823406373 1009055079 /nfs/dbraw/zinc/05/50/79/1009055079.db2.gz LWHDLRPVMRSTGX-ZYSHUDEJSA-N 0 0 361.486 2.778 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N(C)C[C@@H](O)C(F)(F)F ZINC000860592215 1009073803 /nfs/dbraw/zinc/07/38/03/1009073803.db2.gz NCYIIKFESMDXKG-MRXNPFEDSA-N 0 0 368.355 2.902 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1CCCC[C@@H]1C(F)F ZINC000823531343 1009099216 /nfs/dbraw/zinc/09/92/16/1009099216.db2.gz ZXOUQOPONCRKJJ-QGZVFWFLSA-N 0 0 367.440 2.977 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(n3ccnn3)C2)ccc1C ZINC000860656548 1009099773 /nfs/dbraw/zinc/09/97/73/1009099773.db2.gz KICLEJQCYRVTGR-UHFFFAOYSA-N 0 0 363.421 2.504 20 10 FFCDRN CCN(C(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000860697267 1009113740 /nfs/dbraw/zinc/11/37/40/1009113740.db2.gz RIZPYRMQAQKBCG-OLZOCXBDSA-N 0 0 366.458 2.791 20 10 FFCDRN COC(=O)N1CCC(NC(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000823583274 1009120015 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ZINC001325022121 1046339576 /nfs/dbraw/zinc/33/95/76/1046339576.db2.gz JKNMSIIKKJRLJE-UHFFFAOYSA-N 0 0 360.376 2.932 20 10 FFCDRN C[C@H](NC(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]1C)c1ccc(N(C)C)cc1 ZINC001325140670 1046389547 /nfs/dbraw/zinc/38/95/47/1046389547.db2.gz DWLWTJZZHAPGMV-ZOWXZIJZSA-N 0 0 371.403 2.729 20 10 FFCDRN O=C(Nc1c2nonc2ccc1Cl)c1cn(Cc2cccc(F)c2)nn1 ZINC001325345530 1046478085 /nfs/dbraw/zinc/47/80/85/1046478085.db2.gz MAXXNAFARWWTND-UHFFFAOYSA-N 0 0 372.747 2.907 20 10 FFCDRN C[C@H]1C[C@@H]1CNC(=O)C(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC001325694745 1046613504 /nfs/dbraw/zinc/61/35/04/1046613504.db2.gz GGYLSVJUJOBNEN-DOTOQJQBSA-N 0 0 369.465 2.647 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Nc3cc(C)nc(C)c3)C2)cc1 ZINC001325947391 1046695498 /nfs/dbraw/zinc/69/54/98/1046695498.db2.gz FKZBBLOPIUOADU-MRXNPFEDSA-N 0 0 354.454 2.777 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@H]1CCC[C@@H](F)C1 ZINC001326297578 1046857601 /nfs/dbraw/zinc/85/76/01/1046857601.db2.gz CKRLXSUAIUCJCN-KGLIPLIRSA-N 0 0 371.403 2.881 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccc(F)cc1Cl ZINC001326655728 1047020251 /nfs/dbraw/zinc/02/02/51/1047020251.db2.gz SFOWSHOIMIHHPA-UHFFFAOYSA-N 0 0 364.804 2.502 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](OC2CCC2)C1 ZINC001326861520 1047117374 /nfs/dbraw/zinc/11/73/74/1047117374.db2.gz LFIPGSWVZNLMDS-SFHVURJKSA-N 0 0 374.481 2.691 20 10 FFCDRN COc1cccc(OC)c1CNCc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001327253649 1047257539 /nfs/dbraw/zinc/25/75/39/1047257539.db2.gz GQFMPNKEYIBFJN-UHFFFAOYSA-N 0 0 373.472 2.885 20 10 FFCDRN Cc1ccnc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1[N+](=O)[O-] ZINC000734479072 1047813013 /nfs/dbraw/zinc/81/30/13/1047813013.db2.gz BJSHOTYGSNQKAP-HNNXBMFYSA-N 0 0 369.425 2.612 20 10 FFCDRN CCOc1ccc(N2CCN([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)CC2)cc1 ZINC001327521279 1047932437 /nfs/dbraw/zinc/93/24/37/1047932437.db2.gz ZHBSAJYISBTZIF-FFZOFVMBSA-N 0 0 357.498 2.655 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc2c1OCC2 ZINC001331555693 1048001821 /nfs/dbraw/zinc/00/18/21/1048001821.db2.gz OBPUDFWOPSGIRB-UHFFFAOYSA-N 0 0 371.412 2.919 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)C1CCC(F)(F)CC1 ZINC001327764470 1048032626 /nfs/dbraw/zinc/03/26/26/1048032626.db2.gz CVPDYQIUEPFBCC-GFCCVEGCSA-N 0 0 354.397 2.681 20 10 FFCDRN CN(C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C1CCCCC1 ZINC001331690471 1048062578 /nfs/dbraw/zinc/06/25/78/1048062578.db2.gz JWAOKERJJDKYJC-UHFFFAOYSA-N 0 0 372.513 2.862 20 10 FFCDRN COc1cccc([C@H](O)C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1 ZINC001290375155 1048072747 /nfs/dbraw/zinc/07/27/47/1048072747.db2.gz UDKGGQYIRRWEPR-FQEVSTJZSA-N 0 0 354.450 2.987 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(C[S@@](C)=O)c1 ZINC001327916713 1048094605 /nfs/dbraw/zinc/09/46/05/1048094605.db2.gz LUTWQMLYRWZJNV-XMMPIXPASA-N 0 0 352.452 2.686 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCc1ccc(OCC(F)(F)F)cc1 ZINC001290491885 1048166030 /nfs/dbraw/zinc/16/60/30/1048166030.db2.gz WRRFZFIDPYKFGS-UHFFFAOYSA-N 0 0 355.312 2.898 20 10 FFCDRN C[C@@H]1CCc2nc(N3C(=O)CN(Cc4ccccc4O)C3=O)sc2C1 ZINC001331963166 1048189006 /nfs/dbraw/zinc/18/90/06/1048189006.db2.gz RYOPVCOWCXAKSP-LLVKDONJSA-N 0 0 357.435 2.942 20 10 FFCDRN Cc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@@]2(CCOC2)O1 ZINC001290719145 1048340996 /nfs/dbraw/zinc/34/09/96/1048340996.db2.gz MHCJDYBMWMHIRG-PXNSSMCTSA-N 0 0 372.469 2.657 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](CC(F)(F)F)C2)cc1F ZINC001328555697 1048352813 /nfs/dbraw/zinc/35/28/13/1048352813.db2.gz FLYCMYUTORYJFP-LBPRGKRZSA-N 0 0 363.355 2.755 20 10 FFCDRN Cc1nnc(N2C[C@H](C)[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001290753783 1048373859 /nfs/dbraw/zinc/37/38/59/1048373859.db2.gz ZCQDRPMUYLULHT-GJZGRUSLSA-N 0 0 373.476 2.703 20 10 FFCDRN Cc1cccnc1[C@H](NC(=O)C(=O)N(C)Cc1ccccc1O)C(C)C ZINC001328798526 1048471480 /nfs/dbraw/zinc/47/14/80/1048471480.db2.gz XOPMTDKTYIIPFY-QGZVFWFLSA-N 0 0 355.438 2.568 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCO[C@@H](C(F)F)CC3)ccc21 ZINC001332807731 1048571669 /nfs/dbraw/zinc/57/16/69/1048571669.db2.gz PYPMFFUCABZBEK-MRXNPFEDSA-N 0 0 353.413 2.635 20 10 FFCDRN O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)N1Cc2cccc(O)c2C1 ZINC001332846583 1048586880 /nfs/dbraw/zinc/58/68/80/1048586880.db2.gz UFNWOCCSEGVVAL-WCQYABFASA-N 0 0 370.371 2.719 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)CC(F)F)cc1F ZINC001329332279 1048671670 /nfs/dbraw/zinc/67/16/70/1048671670.db2.gz MTNWIUSRAZPPBF-LBPRGKRZSA-N 0 0 373.419 2.696 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)[C@H](C)Cc3c(C)n[nH]c3C)C2)cc1 ZINC001329352805 1048681742 /nfs/dbraw/zinc/68/17/42/1048681742.db2.gz XSYZNPDYKWWKII-CZUORRHYSA-N 0 0 356.470 2.609 20 10 FFCDRN Cc1cc(F)ccc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC001333256832 1048788122 /nfs/dbraw/zinc/78/81/22/1048788122.db2.gz MTHLMPSGCOZELZ-CQSZACIVSA-N 0 0 357.429 2.694 20 10 FFCDRN Cc1ccc(O)c(CNS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1 ZINC001329805296 1048918428 /nfs/dbraw/zinc/91/84/28/1048918428.db2.gz GVYWQZNJLZDOMW-UHFFFAOYSA-N 0 0 369.826 2.604 20 10 FFCDRN COC(=O)[C@@H](NCc1ccc(N2CCN(C)CC2)c(F)c1)c1ccccc1 ZINC001333842462 1049140962 /nfs/dbraw/zinc/14/09/62/1049140962.db2.gz ROTPEUZIGDCTMV-FQEVSTJZSA-N 0 0 371.456 2.581 20 10 FFCDRN O=C(NC[C@@H]1C=CCC1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001333921164 1049168690 /nfs/dbraw/zinc/16/86/90/1049168690.db2.gz KXRNMDNHPLAZDI-OAHLLOKOSA-N 0 0 354.406 2.596 20 10 FFCDRN CNc1nc(C)ccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001292235389 1049202052 /nfs/dbraw/zinc/20/20/52/1049202052.db2.gz IEXVFKWDXVEQCK-OAHLLOKOSA-N 0 0 354.454 2.759 20 10 FFCDRN CCOC(=O)[C@H](NCc1ccc(OC)c(OC)c1O)c1cccc(O)c1 ZINC001334216799 1049316094 /nfs/dbraw/zinc/31/60/94/1049316094.db2.gz FRBMOGYEURXULA-MRXNPFEDSA-N 0 0 361.394 2.509 20 10 FFCDRN Cc1cc(C(=O)Cn2cc(C[C@H](C)O)nn2)c(C)n1-c1ccc(F)cc1 ZINC001330769841 1049319059 /nfs/dbraw/zinc/31/90/59/1049319059.db2.gz YFMZECQBJLIMCJ-ZDUSSCGKSA-N 0 0 356.401 2.631 20 10 FFCDRN COC(=O)[C@@H](NC(=O)C1=CC(=O)CS1)c1ccc(Br)cc1 ZINC001292446218 1049346227 /nfs/dbraw/zinc/34/62/27/1049346227.db2.gz XWEMWYGYWFUAIK-LBPRGKRZSA-N 0 0 370.224 2.860 20 10 FFCDRN COC(=O)c1ccc(NC(=O)c2cccc(O)c2O)c(OC(F)F)c1 ZINC001293028254 1049467477 /nfs/dbraw/zinc/46/74/77/1049467477.db2.gz ASVVFKQEYHFXMJ-UHFFFAOYSA-N 0 0 353.277 2.738 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@H]1c1ccccc1Cl ZINC001331103136 1049472649 /nfs/dbraw/zinc/47/26/49/1049472649.db2.gz JCLCMRNKPKYNES-GOEBONIOSA-N 0 0 358.825 2.676 20 10 FFCDRN COC(=O)c1ccc([N+](=O)[O-])c(N(C)CCN(C)c2ccc(OC)cc2)c1 ZINC001307158227 1049507032 /nfs/dbraw/zinc/50/70/32/1049507032.db2.gz LUUIVMYBVMYLHT-UHFFFAOYSA-N 0 0 373.409 2.963 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cccc3[nH]c(CO)nc32)cc1F ZINC001293225120 1049513788 /nfs/dbraw/zinc/51/37/88/1049513788.db2.gz MSXYBGMPYVNVNQ-UHFFFAOYSA-N 0 0 370.428 2.971 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CC1(F)F ZINC001334684807 1049524608 /nfs/dbraw/zinc/52/46/08/1049524608.db2.gz PCKQGANTZHJEME-AWEZNQCLSA-N 0 0 354.397 2.682 20 10 FFCDRN Cc1ccc(C(=O)NCCNC(=O)c2cc3cc(O)c(O)cc3s2)cc1 ZINC001293526277 1049574852 /nfs/dbraw/zinc/57/48/52/1049574852.db2.gz UXTHVMAGCBAWHY-UHFFFAOYSA-N 0 0 370.430 2.781 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(Nc3ccn(C)n3)cc2)c1O ZINC001294924383 1049841149 /nfs/dbraw/zinc/84/11/49/1049841149.db2.gz CBSSGZCLBVOMTK-UHFFFAOYSA-N 0 0 352.394 2.808 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNc3ccsc3[N+](=O)[O-])cc2)CC1 ZINC001307210900 1050060674 /nfs/dbraw/zinc/06/06/74/1050060674.db2.gz CTMDRAQCCUOOGD-UHFFFAOYSA-N 0 0 360.439 2.970 20 10 FFCDRN Cn1nc(CCNC(=O)c2ccc(N=NC(N)=O)cc2)c2ccccc21 ZINC001296617762 1050077256 /nfs/dbraw/zinc/07/72/56/1050077256.db2.gz MWJCMHSBUYRLJX-UHFFFAOYSA-N 0 0 350.382 2.708 20 10 FFCDRN CCOc1ccccc1[C@@H]([NH3+])CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001341584359 1050210310 /nfs/dbraw/zinc/21/03/10/1050210310.db2.gz GEBUBXYNFKSSKE-KRWDZBQOSA-N 0 0 359.445 2.997 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(C)cc([N+](=O)[O-])c1N ZINC001297562686 1050219897 /nfs/dbraw/zinc/21/98/97/1050219897.db2.gz PANVTRQPJDANNE-UHFFFAOYSA-N 0 0 350.371 2.607 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001297562147 1050220314 /nfs/dbraw/zinc/22/03/14/1050220314.db2.gz CYLNFPIQCRVHKC-CQSZACIVSA-N 0 0 365.470 2.675 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@]3(CCOC3=O)C2)cc1F ZINC001339909170 1050325223 /nfs/dbraw/zinc/32/52/23/1050325223.db2.gz OEHDFAGJDYWLMX-IBGZPJMESA-N 0 0 363.433 2.521 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2Cc3cc(OC)c(OC)cc3N2)c1 ZINC001341827398 1050439382 /nfs/dbraw/zinc/43/93/82/1050439382.db2.gz XPBSJKIRVUTPFS-BZNIZROVSA-N 0 0 372.421 2.632 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C[C@](C)(O)c2ccccc2)n1C ZINC001340094073 1050497985 /nfs/dbraw/zinc/49/79/85/1050497985.db2.gz APOKJXIMNQIMLZ-FQEVSTJZSA-N 0 0 352.438 2.607 20 10 FFCDRN CCN(C[C@H]1CCCO1)c1nnc(C2Sc3ncccc3C2=O)n1C ZINC001340094448 1050498043 /nfs/dbraw/zinc/49/80/43/1050498043.db2.gz DJZPQZPZANNOIR-LLVKDONJSA-N 0 0 359.455 2.803 20 10 FFCDRN NC(=O)C1CCN(c2cccc(NC(=O)c3cccc4c3CCN4)c2)CC1 ZINC001340093876 1050498342 /nfs/dbraw/zinc/49/83/42/1050498342.db2.gz MROHRRHXFFHNDP-UHFFFAOYSA-N 0 0 364.449 2.609 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NCCC(F)(F)F)cc1 ZINC001340392160 1050785734 /nfs/dbraw/zinc/78/57/34/1050785734.db2.gz ZGYGKXVZDFJGKB-UHFFFAOYSA-N 0 0 359.392 2.560 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccn(CC)c2)cc1 ZINC001340615346 1050996107 /nfs/dbraw/zinc/99/61/07/1050996107.db2.gz HHPOGLGVRZRYQV-UHFFFAOYSA-N 0 0 370.497 2.629 20 10 FFCDRN CO[C@H]1CN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)[C@@](C)(CO)C1 ZINC001302366313 1051095771 /nfs/dbraw/zinc/09/57/71/1051095771.db2.gz BJOBKRSOCFSPSQ-TZIWHRDSSA-N 0 0 356.466 2.635 20 10 FFCDRN C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CCOC2)nnc1N(C)Cc1ccccc1O ZINC001302845473 1051210759 /nfs/dbraw/zinc/21/07/59/1051210759.db2.gz NLMWNMXXGRDVPM-UWWQBHOKSA-N 0 0 372.469 2.549 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC001303225862 1051307909 /nfs/dbraw/zinc/30/79/09/1051307909.db2.gz PRZKJZAPDDJQMR-GOSISDBHSA-N 0 0 358.413 2.908 20 10 FFCDRN Cn1cc(C(=O)NCc2ccccc2O)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000748346002 1051380280 /nfs/dbraw/zinc/38/02/80/1051380280.db2.gz IZUIAKVQGPWUFB-UHFFFAOYSA-N 0 0 352.350 2.631 20 10 FFCDRN CO[C@H]1CCn2cc(C(=O)NCc3c(O)ccc4ccccc43)nc2C1 ZINC001304090370 1051529320 /nfs/dbraw/zinc/52/93/20/1051529320.db2.gz GFWORLQFNYEMQA-AWEZNQCLSA-N 0 0 351.406 2.633 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001304091083 1051530661 /nfs/dbraw/zinc/53/06/61/1051530661.db2.gz WPGHRHLGDOCDAO-GOSISDBHSA-N 0 0 352.346 2.803 20 10 FFCDRN Cc1nccn1CCn1c(C2CC2)nnc1N(C)Cc1ccccc1O ZINC001304713284 1051677305 /nfs/dbraw/zinc/67/73/05/1051677305.db2.gz MIDRDPPUFKTSQV-UHFFFAOYSA-N 0 0 352.442 2.703 20 10 FFCDRN Cc1cnc(-c2nnc(N(C)Cc3ccccc3O)n2C[C@H]2CCCO2)o1 ZINC001343174916 1051799344 /nfs/dbraw/zinc/79/93/44/1051799344.db2.gz OLRKHOLDDHAPHU-OAHLLOKOSA-N 0 0 369.425 2.763 20 10 FFCDRN CCc1nnc(N2CCC[C@H]2C)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001306174457 1052053011 /nfs/dbraw/zinc/05/30/11/1052053011.db2.gz TYESOCIUUQXDQN-OAHLLOKOSA-N 0 0 373.476 2.853 20 10 FFCDRN COCCC1CCN(c2nnc(C3SC=CC3=O)n2CCOC)CC1 ZINC001343264980 1052116029 /nfs/dbraw/zinc/11/60/29/1052116029.db2.gz WXJARKDCRXVYTL-UHFFFAOYSA-N 0 0 366.487 2.612 20 10 FFCDRN N[C@](C(=O)N1Cc2cccc(O)c2C1)(c1cccc(F)c1)C(F)(F)F ZINC001306889187 1052212056 /nfs/dbraw/zinc/21/20/56/1052212056.db2.gz XUFKRXLAANQQDI-INIZCTEOSA-N 0 0 354.303 2.790 20 10 FFCDRN COC(=O)[C@@]1(C)CCN(c2nnc(C3SC=CC3=O)n2CC(C)C)C1 ZINC001345133378 1052280998 /nfs/dbraw/zinc/28/09/98/1052280998.db2.gz WGNNYHFSSVQMLS-KRWDZBQOSA-N 0 0 364.471 2.758 20 10 FFCDRN CC[C@]1(C(=O)[O-])CCC[N@H+](Cc2ccc(N3CCN(C)CC3)c(F)c2)C1 ZINC001345160786 1052297090 /nfs/dbraw/zinc/29/70/90/1052297090.db2.gz YXRUHWYMGXEMMC-FQEVSTJZSA-N 0 0 363.477 2.654 20 10 FFCDRN COC(=O)c1cc(NC(=O)NCc2ccccc2O)c(C)c([N+](=O)[O-])c1 ZINC000753127484 1052330154 /nfs/dbraw/zinc/33/01/54/1052330154.db2.gz WYNONXJKORMPBZ-UHFFFAOYSA-N 0 0 359.338 2.717 20 10 FFCDRN O=C(COC(=O)c1cccc(O)c1O)c1ccc(Br)s1 ZINC001343664947 1052363291 /nfs/dbraw/zinc/36/32/91/1052363291.db2.gz FJHYZFWPLLSINM-UHFFFAOYSA-N 0 0 357.181 2.962 20 10 FFCDRN Cc1cn(C)nc1CNCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC001308205957 1052430955 /nfs/dbraw/zinc/43/09/55/1052430955.db2.gz JQLYVNMSCNFUPC-UHFFFAOYSA-N 0 0 368.403 2.874 20 10 FFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001308234511 1052434876 /nfs/dbraw/zinc/43/48/76/1052434876.db2.gz XBJBLRHNERQAOC-SFHVURJKSA-N 0 0 366.383 2.973 20 10 FFCDRN COc1cc(C)cc(CNCC(F)(F)CNC(=O)OC(C)(C)C)c1O ZINC001308703172 1052489239 /nfs/dbraw/zinc/48/92/39/1052489239.db2.gz AIHGLEKNOHOTGA-UHFFFAOYSA-N 0 0 360.401 2.959 20 10 FFCDRN COC(=O)NC1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C1 ZINC001308809970 1052502630 /nfs/dbraw/zinc/50/26/30/1052502630.db2.gz QENPSRJBJCTZES-UHFFFAOYSA-N 0 0 351.450 2.790 20 10 FFCDRN COc1ccc2c(c1)C[C@@H](C(C)C)CN2Cc1ccc(S(N)(=O)=O)o1 ZINC001308828197 1052504631 /nfs/dbraw/zinc/50/46/31/1052504631.db2.gz ZJYVAUJXCRNCGL-CQSZACIVSA-N 0 0 364.467 2.771 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cn4c(cccc4C)n3)C2)cc1 ZINC001345629285 1052546083 /nfs/dbraw/zinc/54/60/83/1052546083.db2.gz RDGJFAHLGJXNCC-INIZCTEOSA-N 0 0 364.449 2.908 20 10 FFCDRN Cc1cc(C(=O)NCCc2c(C)[nH][nH]c2=O)c(C)n1-c1cccc(C)c1 ZINC001542940033 1071342846 /nfs/dbraw/zinc/34/28/46/1071342846.db2.gz GMEIFSTWESLHEG-KRWDZBQOSA-N 0 0 352.438 2.644 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC(F)(F)[C@H](C)C1 ZINC001344740738 1052911302 /nfs/dbraw/zinc/91/13/02/1052911302.db2.gz ARJAHQMFIOYHOZ-CYBMUJFWSA-N 0 0 354.397 2.635 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCC[C@H]1CCC(F)(F)C1)c1ccc(N(C)C)cc1 ZINC001334840848 1053110446 /nfs/dbraw/zinc/11/04/46/1053110446.db2.gz MJLSUOMFRQGSLF-UONOGXRCSA-N 0 0 367.440 2.872 20 10 FFCDRN Nc1ccc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC001346633780 1053170859 /nfs/dbraw/zinc/17/08/59/1053170859.db2.gz PGUOQMRTTHHBHF-UHFFFAOYSA-N 0 0 356.495 2.821 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CC[C@@H](C)[S@](=O)CC2)c1 ZINC001335169939 1053242957 /nfs/dbraw/zinc/24/29/57/1053242957.db2.gz KZTODXPSSHLTGZ-PVPMGCCUSA-N 0 0 372.490 2.890 20 10 FFCDRN Nc1ccc(CNC(=O)N[C@H]2CCCN(c3ccccc3Cl)C2=O)cc1 ZINC001335463084 1053379170 /nfs/dbraw/zinc/37/91/70/1053379170.db2.gz BPDJWQVYHTWOLC-INIZCTEOSA-N 0 0 372.856 2.917 20 10 FFCDRN O=C([O-])C[C@H]([NH2+]Cc1c(O)cccc1Br)C1CCOCC1 ZINC001335467039 1053382000 /nfs/dbraw/zinc/38/20/00/1053382000.db2.gz WNAAULOFXPGLJX-ZDUSSCGKSA-N 0 0 358.232 2.514 20 10 FFCDRN COc1ccc(N2CCN(c3nc(C(F)(F)F)ns3)CC2)c(OC)c1 ZINC001335513914 1053408585 /nfs/dbraw/zinc/40/85/85/1053408585.db2.gz XSFFAGIJOIGVBM-UHFFFAOYSA-N 0 0 374.388 2.901 20 10 FFCDRN Cc1cc(Cn2c(C3SC=CC3=O)nnc2N2CC[C@@H]3C[C@@H]3C2)no1 ZINC001346953868 1053475520 /nfs/dbraw/zinc/47/55/20/1053475520.db2.gz KUJHRJRJYFHUDO-VXGBXAGGSA-N 0 0 357.439 2.903 20 10 FFCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N1CCC(F)(F)C1 ZINC001346986768 1053507966 /nfs/dbraw/zinc/50/79/66/1053507966.db2.gz HFVHKKWFHYECJH-UHFFFAOYSA-N 0 0 358.414 2.984 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC001335730727 1053528666 /nfs/dbraw/zinc/52/86/66/1053528666.db2.gz OUMNGCAEKSMGIQ-UHFFFAOYSA-N 0 0 372.856 2.590 20 10 FFCDRN CC(C)c1ccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC001336472330 1054012109 /nfs/dbraw/zinc/01/21/09/1054012109.db2.gz IPZHOFDBAVJNGN-UHFFFAOYSA-N 0 0 354.454 2.868 20 10 FFCDRN CC(C)[C@H]1CCc2nc(NC(=O)C(=O)NCc3ccccc3O)sc2C1 ZINC001336528761 1054045051 /nfs/dbraw/zinc/04/50/51/1054045051.db2.gz WNELFLDUMGQFFI-LBPRGKRZSA-N 0 0 373.478 2.865 20 10 FFCDRN COCC[C@H]1CCN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc21 ZINC001347662703 1054202537 /nfs/dbraw/zinc/20/25/37/1054202537.db2.gz YQCGSFZPTNNFMB-CYBMUJFWSA-N 0 0 351.406 2.747 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N)cc1)c1ccc(N2CCCC2=O)cc1 ZINC001336766298 1054209666 /nfs/dbraw/zinc/20/96/66/1054209666.db2.gz UTPIIOVENHBZCG-AWEZNQCLSA-N 0 0 352.438 2.956 20 10 FFCDRN COc1cccc(N2CCC(NC(=O)c3c(F)ccc(O)c3O)CC2)c1 ZINC001347792868 1054327659 /nfs/dbraw/zinc/32/76/59/1054327659.db2.gz DICXVOAWJWBIHB-UHFFFAOYSA-N 0 0 360.385 2.644 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 ZINC001337019316 1054414064 /nfs/dbraw/zinc/41/40/64/1054414064.db2.gz SGHGCKKEIFXJQW-UHFFFAOYSA-N 0 0 352.438 2.829 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1ccc(C(F)(F)F)cn1 ZINC001348241890 1054567914 /nfs/dbraw/zinc/56/79/14/1054567914.db2.gz OPOALOZVKNXGKE-QHHAFSJGSA-N 0 0 352.312 2.884 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cc4n(n3)CCCC4=O)C2)cc1 ZINC001348668808 1054851651 /nfs/dbraw/zinc/85/16/51/1054851651.db2.gz FZWYURMYSJXATH-CQSZACIVSA-N 0 0 369.421 2.552 20 10 FFCDRN CO[C@H]1CN(C(=O)c2cccc(-n3c(C)cc(C=O)c3C)c2)[C@](C)(CO)C1 ZINC001348781855 1054924184 /nfs/dbraw/zinc/92/41/84/1054924184.db2.gz UKTDGPJDOQTTJT-CTNGQTDRSA-N 0 0 370.449 2.519 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@]3([C@H]4CCCCO4)CCCO3)C2)cc1 ZINC001348817686 1054944774 /nfs/dbraw/zinc/94/47/74/1054944774.db2.gz OZGHHKYLFATWQS-SCWSEQNSSA-N 0 0 374.481 2.508 20 10 FFCDRN COC(=O)c1nc(NCc2ccc(N3CCC(O)CC3)c(F)c2)ccc1C ZINC001351949196 1055081761 /nfs/dbraw/zinc/08/17/61/1055081761.db2.gz CPSJGBHLIRYQEE-UHFFFAOYSA-N 0 0 373.428 2.889 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nnn(C(C)(C)C)n2)cc1 ZINC000847188249 1055204818 /nfs/dbraw/zinc/20/48/18/1055204818.db2.gz GKAMUACNSCHHLI-UHFFFAOYSA-N 0 0 352.442 2.766 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CN1C(=O)CCC1=O ZINC001349404995 1055235833 /nfs/dbraw/zinc/23/58/33/1055235833.db2.gz YZKNVDQHBUJCHG-OAHLLOKOSA-N 0 0 366.417 2.631 20 10 FFCDRN CC[C@@H](C)n1nccc1C(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001338227953 1055342125 /nfs/dbraw/zinc/34/21/25/1055342125.db2.gz SAEUZOHYVCFBEE-OAHLLOKOSA-N 0 0 372.469 2.834 20 10 FFCDRN O=C1CN(Cc2ccc(N3CCOCC3)c(F)c2)Cc2ccccc2N1 ZINC000848925476 1055376080 /nfs/dbraw/zinc/37/60/80/1055376080.db2.gz DWYGLKFARWKPIQ-UHFFFAOYSA-N 0 0 355.413 2.617 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CCCCN1Cc1ccncc1 ZINC001338277219 1055382755 /nfs/dbraw/zinc/38/27/55/1055382755.db2.gz SRKKGSMPCZLKRG-YJBOKZPZSA-N 0 0 369.465 2.595 20 10 FFCDRN O=Cc1c[nH]c2ccc(C(=O)NCc3ccc(N4CCOCC4)cc3)cc12 ZINC001543817063 1071551362 /nfs/dbraw/zinc/55/13/62/1071551362.db2.gz HRRWYKUZMSSFFE-UHFFFAOYSA-N 0 0 363.417 2.747 20 10 FFCDRN COc1ccc(CCNC(=S)NCc2cccc(C)c2O)cc1OC ZINC001200092368 1055671702 /nfs/dbraw/zinc/67/17/02/1055671702.db2.gz WBVNKNBOXNIBET-UHFFFAOYSA-N 0 0 360.479 2.925 20 10 FFCDRN COC(=O)[C@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)CC(C)C ZINC001543960261 1071574217 /nfs/dbraw/zinc/57/42/17/1071574217.db2.gz GBYJISBZLMTVOA-NSHDSACASA-N 0 0 351.424 2.878 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2CCOCC2)n1C[C@@H]1CCOC1 ZINC001352895956 1055907118 /nfs/dbraw/zinc/90/71/18/1055907118.db2.gz WFBLZORRLAVTCH-HNNXBMFYSA-N 0 0 372.469 2.551 20 10 FFCDRN COCCN(CCC(=O)OC)C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001353172576 1056150092 /nfs/dbraw/zinc/15/00/92/1056150092.db2.gz IHGJWHSHLSTHNE-UHFFFAOYSA-N 0 0 372.465 2.675 20 10 FFCDRN CNc1ncnc2cc(C(=O)N3CCOc4cc(N(C)C)ccc43)ccc21 ZINC000611658300 1056447636 /nfs/dbraw/zinc/44/76/36/1056447636.db2.gz SJRTWPHXDKFBQI-UHFFFAOYSA-N 0 0 363.421 2.777 20 10 FFCDRN CCC[N@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)Cc1ccccc1F ZINC000849346549 1056833723 /nfs/dbraw/zinc/83/37/23/1056833723.db2.gz SVGXIXHKJDLOHR-UHFFFAOYSA-N 0 0 358.373 2.684 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2[nH]nc([N+](=O)[O-])c2Cl)cc1F ZINC001443771994 1058240728 /nfs/dbraw/zinc/24/07/28/1058240728.db2.gz NHTDQLGJBTVDAW-UHFFFAOYSA-N 0 0 369.784 2.887 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(-n2cc[nH]c2=O)c1 ZINC001443811626 1058245076 /nfs/dbraw/zinc/24/50/76/1058245076.db2.gz GVNHZYNXBYTTGJ-UHFFFAOYSA-N 0 0 350.422 2.882 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NC[C@@H](O)c2ccco2)c1 ZINC001445754514 1058438856 /nfs/dbraw/zinc/43/88/56/1058438856.db2.gz NGNLFTUWRJICRQ-GOSISDBHSA-N 0 0 352.390 2.963 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1c(Cl)ccnc1Br ZINC001445937992 1058459981 /nfs/dbraw/zinc/45/99/81/1058459981.db2.gz LXFSQCABLNZMKT-UHFFFAOYSA-N 0 0 371.618 2.881 20 10 FFCDRN CCc1nnc(N(C)Cc2ccccc2O)n1Cc1ncccc1N(C)C ZINC001513794574 1058564148 /nfs/dbraw/zinc/56/41/48/1058564148.db2.gz MDJSDELAPMCMGM-UHFFFAOYSA-N 0 0 366.469 2.692 20 10 FFCDRN CCOC(=O)C[C@H](C)NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001447685613 1058689137 /nfs/dbraw/zinc/68/91/37/1058689137.db2.gz IBMKJSRNGVXFFU-AWEZNQCLSA-N 0 0 372.465 2.987 20 10 FFCDRN CC[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@@H](O)c1c(F)cccc1F ZINC001545595093 1071813087 /nfs/dbraw/zinc/81/30/87/1071813087.db2.gz CGHGKFRLURJHIH-FZKQIMNGSA-N 0 0 351.349 2.547 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1c2c(ccc1F)OCO2 ZINC001448967122 1058844395 /nfs/dbraw/zinc/84/43/95/1058844395.db2.gz UKNINZAWYOEXMH-UHFFFAOYSA-N 0 0 368.158 2.953 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1nc(-c2ccccn2)no1 ZINC001449119385 1058866867 /nfs/dbraw/zinc/86/68/67/1058866867.db2.gz KAPMHCIXZRAHQY-UHFFFAOYSA-N 0 0 373.409 2.572 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CNC(=O)CC1CCCCC1 ZINC001449127094 1058866947 /nfs/dbraw/zinc/86/69/47/1058866947.db2.gz VYXNSRFPUVHUOM-UHFFFAOYSA-N 0 0 353.459 2.581 20 10 FFCDRN CO[C@@H]1CCN(c2nnc(C3SC=CC3=O)n2C[C@H]2CCCCO2)C1 ZINC001519840299 1059123504 /nfs/dbraw/zinc/12/35/04/1059123504.db2.gz HJNZLZMPCCQDST-CHWSQXEVSA-N 0 0 364.471 2.506 20 10 FFCDRN Cc1cc(C(=O)NCc2nnc(-c3ccncc3)[nH]2)c(C)n1-c1ccccn1 ZINC001451601742 1059129632 /nfs/dbraw/zinc/12/96/32/1059129632.db2.gz IZLATJUZJIBJQL-UHFFFAOYSA-N 0 0 373.420 2.599 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001451770740 1059142779 /nfs/dbraw/zinc/14/27/79/1059142779.db2.gz RCHYYURMDFEDNV-UHFFFAOYSA-N 0 0 356.256 2.955 20 10 FFCDRN COc1ccc(/C=C/C(=O)NCc2ccc3cccnc3c2O)cc1O ZINC001451962500 1059168785 /nfs/dbraw/zinc/16/87/85/1059168785.db2.gz RLJNQYJWHAVGDW-WEVVVXLNSA-N 0 0 350.374 2.984 20 10 FFCDRN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)NCCF ZINC001519942442 1059225945 /nfs/dbraw/zinc/22/59/45/1059225945.db2.gz YGOIKDBCLKRAIU-FMIVXFBMSA-N 0 0 356.419 2.503 20 10 FFCDRN CCOC(=O)C1(CC(=O)N(C)CCN(C)c2ccc(OC)cc2)CCC1 ZINC001452834669 1059306176 /nfs/dbraw/zinc/30/61/76/1059306176.db2.gz JHSWQLRSPFFZRU-UHFFFAOYSA-N 0 0 362.470 2.713 20 10 FFCDRN COc1cccnc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC001354656845 1059322799 /nfs/dbraw/zinc/32/27/99/1059322799.db2.gz HNAOGCYRVUJPIF-KBPBESRZSA-N 0 0 373.428 2.773 20 10 FFCDRN CC(=O)N(C)c1ccc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001453574634 1059389213 /nfs/dbraw/zinc/38/92/13/1059389213.db2.gz CDBKBJKISXIEAF-UHFFFAOYSA-N 0 0 353.382 2.762 20 10 FFCDRN COc1cccc(CNc2ccc(S(=O)(=O)NC(C)C)cc2)c1O ZINC001515237839 1059448939 /nfs/dbraw/zinc/44/89/39/1059448939.db2.gz XRVZWDVGDIBBPJ-UHFFFAOYSA-N 0 0 350.440 2.700 20 10 FFCDRN Cc1cc(CNC(=O)c2cccnc2OCCO)c(C)n1-c1ccccc1 ZINC001454627848 1059587844 /nfs/dbraw/zinc/58/78/44/1059587844.db2.gz VXSQYWAICCZHQA-UHFFFAOYSA-N 0 0 365.433 2.790 20 10 FFCDRN CCN(CC)c1ccc(Cn2c(C)nnc2N(C)Cc2cnccn2)cc1 ZINC001515530021 1059686623 /nfs/dbraw/zinc/68/66/23/1059686623.db2.gz WKCMCQSCWCERPC-UHFFFAOYSA-N 0 0 365.485 2.907 20 10 FFCDRN C[C@H](C(=O)NCc1cccc(O)c1O)N(C(=O)OC(C)(C)C)C1CC1 ZINC001520508908 1059745444 /nfs/dbraw/zinc/74/54/44/1059745444.db2.gz OZZRVWWKFWFWEX-LLVKDONJSA-N 0 0 350.415 2.502 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CC[C@@](O)(C(F)(F)F)C2)n1CC1CC1 ZINC001520580086 1059826846 /nfs/dbraw/zinc/82/68/46/1059826846.db2.gz DTLJXTYSSQZEIK-AWEZNQCLSA-N 0 0 374.388 2.626 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)Cc2cncc(O)c2)cc1 ZINC000848371457 1059893192 /nfs/dbraw/zinc/89/31/92/1059893192.db2.gz WCDIIHLQFZTNDY-FQEVSTJZSA-N 0 0 369.465 2.604 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1ccc(-c2n[nH]c(C3CC3)n2)cc1 ZINC001456237608 1060065957 /nfs/dbraw/zinc/06/59/57/1060065957.db2.gz VCMBKWVTQSKSJT-UHFFFAOYSA-N 0 0 350.378 2.690 20 10 FFCDRN CC1=C(C(=O)NCc2c(O)ccc3ccccc32)[C@@H](C)n2ncnc2N1C ZINC001456309867 1060085011 /nfs/dbraw/zinc/08/50/11/1060085011.db2.gz MMNHEOGKRDDZSB-CYBMUJFWSA-N 0 0 363.421 2.738 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCC[C@@H]1OC ZINC001516460400 1060088624 /nfs/dbraw/zinc/08/86/24/1060088624.db2.gz CUJQFWONBSURGD-AEFFLSMTSA-N 0 0 374.485 2.972 20 10 FFCDRN Cc1cc(N(C)C)ccc1Cn1c([C@@H]2CCOC2)nnc1N1CC=CCC1 ZINC001510673772 1060261490 /nfs/dbraw/zinc/26/14/90/1060261490.db2.gz NXKKBAJESQNHHB-GOSISDBHSA-N 0 0 367.497 2.971 20 10 FFCDRN CCn1c([C@@H]2CCc3c[nH]nc3C2)nnc1N(C)Cc1ccccc1O ZINC001520980459 1060269618 /nfs/dbraw/zinc/26/96/18/1060269618.db2.gz GDOPSMWGSCWYEY-CYBMUJFWSA-N 0 0 352.442 2.636 20 10 FFCDRN CCCOc1ccc(NC(=O)C(=O)NCc2c(O)cccc2F)c(C)c1 ZINC001516999906 1060296753 /nfs/dbraw/zinc/29/67/53/1060296753.db2.gz DORRDYHSDGKKRW-UHFFFAOYSA-N 0 0 360.385 2.883 20 10 FFCDRN CC(C)(C)Oc1ccccc1NC(=O)C(=O)NCc1c(O)cccc1F ZINC001517000459 1060297122 /nfs/dbraw/zinc/29/71/22/1060297122.db2.gz IJVUJEKMOYBQOD-UHFFFAOYSA-N 0 0 360.385 2.964 20 10 FFCDRN Cc1nnc(N(C)Cc2cscn2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001511778089 1060404091 /nfs/dbraw/zinc/40/40/91/1060404091.db2.gz BTZPHGGKGWAJLW-UHFFFAOYSA-N 0 0 360.462 2.933 20 10 FFCDRN Cc1nnc(N2CC[C@@H](C)C2)n1Cc1ccc(N2CCC(CO)CC2)cc1 ZINC001511831359 1060433181 /nfs/dbraw/zinc/43/31/81/1060433181.db2.gz KOWPZEXODQTTIS-MRXNPFEDSA-N 0 0 369.513 2.690 20 10 FFCDRN CN(C)c1cc(NC(=O)c2cccc(O)c2O)ncc1Br ZINC001457807383 1060448638 /nfs/dbraw/zinc/44/86/38/1060448638.db2.gz ROXOIBCLLXNLAK-UHFFFAOYSA-N 0 0 352.188 2.574 20 10 FFCDRN C[C@@H](NC(=O)c1cc(-n2ccnn2)ccc1F)c1ccc(N(C)C)cc1 ZINC001517376273 1060469351 /nfs/dbraw/zinc/46/93/51/1060469351.db2.gz WYDQGRFGOIFNMR-CYBMUJFWSA-N 0 0 353.401 2.963 20 10 FFCDRN CNc1cc(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC001521342473 1060548170 /nfs/dbraw/zinc/54/81/70/1060548170.db2.gz IULZGYFSQRXRLA-QGZVFWFLSA-N 0 0 370.453 2.720 20 10 FFCDRN CNS(=O)(=O)c1ccc(Sc2ncc(Cl)s2)c([N+](=O)[O-])c1 ZINC001458513229 1060610209 /nfs/dbraw/zinc/61/02/09/1060610209.db2.gz XLZCVTVKBBIAJX-UHFFFAOYSA-N 0 0 365.845 2.764 20 10 FFCDRN COC(=O)C1(CNC(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)CC1 ZINC001459163569 1060717030 /nfs/dbraw/zinc/71/70/30/1060717030.db2.gz PVEIHGGXHHNYHZ-UHFFFAOYSA-N 0 0 370.449 2.598 20 10 FFCDRN COC(=O)CN(CCCOCC(F)(F)F)Cc1cc(Cl)ccc1O ZINC001459688892 1060796164 /nfs/dbraw/zinc/79/61/64/1060796164.db2.gz VQRRZGFANRYLFA-UHFFFAOYSA-N 0 0 369.767 2.990 20 10 FFCDRN CC(C)n1ncc2cc(S(=O)(=O)NCc3ccc(O)cc3O)ccc21 ZINC001475410334 1061077980 /nfs/dbraw/zinc/07/79/80/1061077980.db2.gz LKZJNSDDUVWDDC-UHFFFAOYSA-N 0 0 361.423 2.507 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(OC)cnc1F ZINC001461975393 1061465723 /nfs/dbraw/zinc/46/57/23/1061465723.db2.gz PNKCIWHWBNKZAH-UHFFFAOYSA-N 0 0 368.792 2.764 20 10 FFCDRN C[C@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C[C@@H]1O ZINC001476767741 1061474982 /nfs/dbraw/zinc/47/49/82/1061474982.db2.gz HMYIRVVKHBQQEJ-ZFWWWQNUSA-N 0 0 351.410 2.631 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C(=O)c3cccc(C)c3)CC2)cc1 ZINC001527715249 1061593903 /nfs/dbraw/zinc/59/39/03/1061593903.db2.gz SQVNQMGNNZQTTB-UHFFFAOYSA-N 0 0 352.434 2.925 20 10 FFCDRN CO[C@@H]1CCC[C@@H]1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001462873041 1061817053 /nfs/dbraw/zinc/81/70/53/1061817053.db2.gz PYMASOXJPKRXOU-MSOLQXFVSA-N 0 0 354.516 2.860 20 10 FFCDRN CCN1CCN(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CC1=O ZINC001479100154 1062224887 /nfs/dbraw/zinc/22/48/87/1062224887.db2.gz SZIYNVLSJIRLLE-UHFFFAOYSA-N 0 0 368.481 2.776 20 10 FFCDRN Cc1cc(CNC(=O)N(C[C@H](C)O)[C@@H](C)CO)c(C)n1-c1cccc(C)c1 ZINC001479099779 1062225400 /nfs/dbraw/zinc/22/54/00/1062225400.db2.gz OWZCDZFWNDYIHA-IRXDYDNUSA-N 0 0 373.497 2.676 20 10 FFCDRN Cc1nnc(N2CCC[C@H]2[C@@H]2CCCO2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001492862230 1062250437 /nfs/dbraw/zinc/25/04/37/1062250437.db2.gz GWFQAANPGZBXEG-OALUTQOASA-N 0 0 373.476 2.988 20 10 FFCDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)n1nnnc1C(C)(C)C ZINC001463813654 1062276302 /nfs/dbraw/zinc/27/63/02/1062276302.db2.gz NDHKKKHISGXRKQ-OAHLLOKOSA-N 0 0 370.501 2.790 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCc2cccc3c2OCC3)cc1 ZINC001479412847 1062351251 /nfs/dbraw/zinc/35/12/51/1062351251.db2.gz UYFBLZAZCUCLPC-UHFFFAOYSA-N 0 0 369.465 2.908 20 10 FFCDRN Cc1c(F)ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1N ZINC001464306918 1062538447 /nfs/dbraw/zinc/53/84/47/1062538447.db2.gz GWVVBANUJRUVHD-UHFFFAOYSA-N 0 0 361.392 2.622 20 10 FFCDRN CCC[C@@H](C)CS(=O)(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001464330255 1062552091 /nfs/dbraw/zinc/55/20/91/1062552091.db2.gz NYSPUEHPDCRGIX-OAHLLOKOSA-N 0 0 370.515 2.592 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)Nc1nc2cc3c(cc2s1)OCCO3 ZINC001464717575 1062781132 /nfs/dbraw/zinc/78/11/32/1062781132.db2.gz MOJAKGODZHXBFS-UHFFFAOYSA-N 0 0 358.375 2.660 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cccc3c2NC(=O)CO3)cc1F ZINC001465003545 1062938581 /nfs/dbraw/zinc/93/85/81/1062938581.db2.gz CCKXDJVDOVEGLO-UHFFFAOYSA-N 0 0 371.412 2.933 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1=C(C)OCCS1 ZINC001546151629 1062978811 /nfs/dbraw/zinc/97/88/11/1062978811.db2.gz ALPRJFWCHLMYGZ-UHFFFAOYSA-N 0 0 371.842 2.542 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(C=O)s1 ZINC001546152028 1062978855 /nfs/dbraw/zinc/97/88/55/1062978855.db2.gz PHHTZYHIMZLAPM-UHFFFAOYSA-N 0 0 367.810 2.735 20 10 FFCDRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)c1cccc(O)c1O ZINC001465206282 1063004933 /nfs/dbraw/zinc/00/49/33/1063004933.db2.gz CXSDNOHHHPEMJM-SFHVURJKSA-N 0 0 352.431 2.767 20 10 FFCDRN O=C(NC[C@H](c1ccc(Cl)cc1)n1cccn1)c1cccc(O)c1O ZINC001465662021 1063172525 /nfs/dbraw/zinc/17/25/25/1063172525.db2.gz FEIQZTJIYRKGCH-OAHLLOKOSA-N 0 0 357.797 2.967 20 10 FFCDRN COc1cccc([C@@H](O)CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001465912476 1063260143 /nfs/dbraw/zinc/26/01/43/1063260143.db2.gz DLBVQTYQYAFLTF-HNNXBMFYSA-N 0 0 359.403 2.785 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccc(CO)c(F)c3)CC2)cc1 ZINC001545931783 1063304451 /nfs/dbraw/zinc/30/44/51/1063304451.db2.gz VWHPDBLJPIQAOS-UHFFFAOYSA-N 0 0 358.413 2.679 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(c2ccccn2)=NO1 ZINC001442345470 1063524930 /nfs/dbraw/zinc/52/49/30/1063524930.db2.gz ZGTBNLCAHRZPTI-IBGZPJMESA-N 0 0 352.438 2.689 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@]2(CO)c2ccccc2)cc1 ZINC001467968345 1063897605 /nfs/dbraw/zinc/89/76/05/1063897605.db2.gz MGGPYWKKZQNCHW-NRFANRHFSA-N 0 0 353.466 2.946 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3cccc4nsnc43)C2)cc1 ZINC001470020625 1064245307 /nfs/dbraw/zinc/24/53/07/1064245307.db2.gz RCJZBYLDQXWCRS-LBPRGKRZSA-N 0 0 354.435 2.709 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCN[C@H](c2ccc(O)cc2)C1 ZINC001470724341 1064428437 /nfs/dbraw/zinc/42/84/37/1064428437.db2.gz FJFIFSISJSYFGH-AWEZNQCLSA-N 0 0 370.430 2.805 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H](C)c2ccc3[nH]c(=O)oc3c2)c1O ZINC001470948588 1064500732 /nfs/dbraw/zinc/50/07/32/1064500732.db2.gz NVUOKTLOHSUJAN-JTQLQIEISA-N 0 0 357.366 2.808 20 10 FFCDRN Cc1cc(C(=O)CSc2nnc(N)n2C)c(C)n1-c1cccc(F)c1 ZINC001472941596 1065175035 /nfs/dbraw/zinc/17/50/35/1065175035.db2.gz IFHDLNYYGNXKGS-UHFFFAOYSA-N 0 0 359.430 2.919 20 10 FFCDRN C[C@H](CCNC(=O)NCc1ccc(N)cc1)N(C)C(=O)OC(C)(C)C ZINC001575962364 1078181506 /nfs/dbraw/zinc/18/15/06/1078181506.db2.gz QDUOZQNSCXBPDD-CYBMUJFWSA-N 0 0 350.463 2.714 20 10 FFCDRN CCc1cnc(CNCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)s1 ZINC001473950825 1065425591 /nfs/dbraw/zinc/42/55/91/1065425591.db2.gz VEWWSESQDHXUTE-OAHLLOKOSA-N 0 0 358.511 2.697 20 10 FFCDRN Cc1cc(Br)c(O)c(CNCc2nnnn2-c2ccccc2)c1 ZINC001473985884 1065433015 /nfs/dbraw/zinc/43/30/15/1065433015.db2.gz YIDQTJMSRIOJHP-UHFFFAOYSA-N 0 0 374.242 2.729 20 10 FFCDRN COc1ccnc(N2CCN(C/C=C/c3ccc(N(C)C)cc3)CC2)c1 ZINC001474335426 1065496131 /nfs/dbraw/zinc/49/61/31/1065496131.db2.gz TXAHOEAZJWCKQL-SNAWJCMRSA-N 0 0 352.482 2.992 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C)cc(-c3nn[nH]n3)c2)c1 ZINC001580046226 1078738534 /nfs/dbraw/zinc/73/85/34/1078738534.db2.gz HQBWQUCCQVDKRN-LLVKDONJSA-N 0 0 368.397 2.772 20 10 FFCDRN Cc1cc(F)c(-c2nn[nH]n2)cc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC001580932583 1078895120 /nfs/dbraw/zinc/89/51/20/1078895120.db2.gz YSGHNMZISAKHGM-UHFFFAOYSA-N 0 0 369.404 2.702 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)c1ccc(-c2nn[nH]n2)cc1F ZINC001582542933 1079061411 /nfs/dbraw/zinc/06/14/11/1079061411.db2.gz RBWKZCAOLAGOIE-UHFFFAOYSA-N 0 0 363.352 2.795 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccnc(Br)c2)c1O ZINC001562840443 1073907094 /nfs/dbraw/zinc/90/70/94/1073907094.db2.gz GJZABCOTUZQBOL-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN CCc1[nH]c(=O)c(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1C ZINC001584231122 1079325851 /nfs/dbraw/zinc/32/58/51/1079325851.db2.gz ZAYHLLXLPQLDDJ-AWEZNQCLSA-N 0 0 355.438 2.675 20 10 FFCDRN CSc1c(F)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001584297690 1079335306 /nfs/dbraw/zinc/33/53/06/1079335306.db2.gz DNHJKNAHSBAHDP-UHFFFAOYSA-N 0 0 370.427 2.877 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)c1 ZINC001584983987 1079411398 /nfs/dbraw/zinc/41/13/98/1079411398.db2.gz YCERBVMZAMVDQG-INIZCTEOSA-N 0 0 372.425 2.532 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2c3c[nH]nc3CN2C(=O)OC(C)(C)C)c1 ZINC001584983988 1079411457 /nfs/dbraw/zinc/41/14/57/1079411457.db2.gz YCERBVMZAMVDQG-MRXNPFEDSA-N 0 0 372.425 2.532 20 10 FFCDRN COC[C@@H](C)Cn1c([C@H]2CCCOC2)nnc1N(C)Cc1ccccc1O ZINC001555237175 1075652562 /nfs/dbraw/zinc/65/25/62/1075652562.db2.gz KUGCWLAHQGDTCF-RDJZCZTQSA-N 0 0 374.485 2.797 20 10 FFCDRN CCCC[C@@H](CC)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC ZINC001556102068 1075700297 /nfs/dbraw/zinc/70/02/97/1075700297.db2.gz PUIQLJMFOTYLKW-CABCVRRESA-N 0 0 351.443 2.905 20 10 FFCDRN CNC(=O)N[C@@H]1CCN(C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)C1 ZINC001556132354 1075705521 /nfs/dbraw/zinc/70/55/21/1075705521.db2.gz JKQQZCIIFYCMKO-OAHLLOKOSA-N 0 0 374.872 2.891 20 10 FFCDRN C[C@@](O)(CNC(=O)C1=CC(=O)CS1)c1ccccc1Br ZINC001556373835 1075733878 /nfs/dbraw/zinc/73/38/78/1075733878.db2.gz PMQWENBASXDAEN-CQSZACIVSA-N 0 0 356.241 2.854 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1[nH]c(C)c(C(=O)OCC)c1C ZINC001556515685 1075748852 /nfs/dbraw/zinc/74/88/52/1075748852.db2.gz ICKITOALMNDUJN-UHFFFAOYSA-N 0 0 365.426 2.930 20 10 FFCDRN O=C(N[C@@H](CO)c1ccc(Br)c(F)c1)C1=CC(=O)CS1 ZINC001556799458 1075777084 /nfs/dbraw/zinc/77/70/84/1075777084.db2.gz LRWOAYXVPHCLLH-NSHDSACASA-N 0 0 360.204 2.819 20 10 FFCDRN COC(=O)[C@H]1C[C@@H](NC(=O)c2ccccc2-n2c(C)cc(C=O)c2C)C1 ZINC001557043188 1075802323 /nfs/dbraw/zinc/80/23/23/1075802323.db2.gz RWBSSYUZLXRQHP-FZNQNYSPSA-N 0 0 354.406 2.588 20 10 FFCDRN Cc1ccc2nc(CSCC(=O)NCc3ccc(O)cc3O)cn2c1 ZINC001557084638 1075806188 /nfs/dbraw/zinc/80/61/88/1075806188.db2.gz ICZGWJJFYHCMPC-UHFFFAOYSA-N 0 0 357.435 2.604 20 10 FFCDRN CN(CC(=O)NCc1ccc2cccnc2c1O)c1ccc(Cl)cn1 ZINC001557123550 1075811199 /nfs/dbraw/zinc/81/11/99/1075811199.db2.gz QLJKGLYUJGQODQ-UHFFFAOYSA-N 0 0 356.813 2.741 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3cc4ccccc4c(=O)[nH]3)C2)cc1 ZINC001557447553 1075850408 /nfs/dbraw/zinc/85/04/08/1075850408.db2.gz SQDKQELZLFVUCN-HNNXBMFYSA-N 0 0 363.417 2.958 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)NCCc2cncc(C)n2)c1 ZINC001557519775 1075858206 /nfs/dbraw/zinc/85/82/06/1075858206.db2.gz HURKIHZSVRZXAK-UHFFFAOYSA-N 0 0 362.433 2.978 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2ccc(S(=O)(=O)C(F)(F)F)cc2)c1 ZINC001557552299 1075861454 /nfs/dbraw/zinc/86/14/54/1075861454.db2.gz BTLIDTOGVMXBOS-UHFFFAOYSA-N 0 0 373.352 2.924 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@H]2CCN(C3CCCCC3)C2=O)cc1 ZINC001557609023 1075865994 /nfs/dbraw/zinc/86/59/94/1075865994.db2.gz GRMQPBOESXEJGD-HNNXBMFYSA-N 0 0 357.414 2.512 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(F)c(O)c3)CC2)c(OC)c1 ZINC001557824034 1075895964 /nfs/dbraw/zinc/89/59/64/1075895964.db2.gz PGEAPJHTEPJJMH-UHFFFAOYSA-N 0 0 360.385 2.511 20 10 FFCDRN CC(C)[C@@H](C(=O)NCc1cccc(O)c1O)[C@@H](C)NC(=O)OC(C)(C)C ZINC001558161601 1075952593 /nfs/dbraw/zinc/95/25/93/1075952593.db2.gz NXAMKJQDHAMIDT-IUODEOHRSA-N 0 0 366.458 2.899 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC001558367904 1075991204 /nfs/dbraw/zinc/99/12/04/1075991204.db2.gz GPSUMKHBEMEGKW-MOXGXCLJSA-N 0 0 352.434 2.750 20 10 FFCDRN Cc1nc(CC2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)CC2)no1 ZINC001558472096 1076013228 /nfs/dbraw/zinc/01/32/28/1076013228.db2.gz RMKZOHOZXYYPQT-UHFFFAOYSA-N 0 0 356.386 2.635 20 10 FFCDRN CC(C)(C)OC(=O)N(CCC(=O)NCc1c(O)cccc1O)C1CC1 ZINC001558535348 1076027737 /nfs/dbraw/zinc/02/77/37/1076027737.db2.gz HSGJFIWLKKZTEU-UHFFFAOYSA-N 0 0 350.415 2.504 20 10 FFCDRN CCOC(=O)[C@@H]1[C@H](C)C[C@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1C ZINC001558847632 1076088542 /nfs/dbraw/zinc/08/85/42/1076088542.db2.gz AUSYVUCDCNJGBD-CWFWMVACSA-N 0 0 361.438 2.936 20 10 FFCDRN CN(C(N)=O)c1cccc(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001560459655 1076274511 /nfs/dbraw/zinc/27/45/11/1076274511.db2.gz GVOLUFAWBWKTPA-UHFFFAOYSA-N 0 0 371.460 2.705 20 10 FFCDRN CN1CC[C@H]1C[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC001560597963 1076282525 /nfs/dbraw/zinc/28/25/25/1076282525.db2.gz ICGKHGVNOVLDED-JTQLQIEISA-N 0 0 364.081 2.711 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H]1C[N@H+](Cc2cc(F)c(F)cc2[O-])CCCO1 ZINC001560874414 1076305211 /nfs/dbraw/zinc/30/52/11/1076305211.db2.gz YARAEWBKLUAQRH-ZDUSSCGKSA-N 0 0 372.412 2.786 20 10 FFCDRN COC(=O)COc1ccc(NC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001562044625 1076473128 /nfs/dbraw/zinc/47/31/28/1076473128.db2.gz FNMFEUSJCHNWLO-UHFFFAOYSA-N 0 0 364.785 2.919 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NC/C=C\Cl)cc2F)C[C@@H](C)O1 ZINC001563677964 1076575598 /nfs/dbraw/zinc/57/55/98/1076575598.db2.gz CDFJBXJEHXBSPV-WKSPHBBESA-N 0 0 355.841 2.991 20 10 FFCDRN C[S@@](=O)c1ccc(CNC(=O)NCc2cccc(Cl)c2O)cc1 ZINC001564268788 1076620893 /nfs/dbraw/zinc/62/08/93/1076620893.db2.gz QGAHQPIJNFQMJN-HSZRJFAPSA-N 0 0 352.843 2.782 20 10 FFCDRN 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COC(=O)Nc1cccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000264226319 509393808 /nfs/dbraw/zinc/39/38/08/509393808.db2.gz XBIJWRVEGIBJOB-UHFFFAOYSA-N 0 0 369.421 2.632 20 10 FFCDRN CNC(=O)c1cccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000173187785 509443940 /nfs/dbraw/zinc/44/39/40/509443940.db2.gz ZXKHZMRNLKKBLV-SFHVURJKSA-N 0 0 368.433 2.573 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1OC(=O)c2ccccc21 ZINC000173206450 509454903 /nfs/dbraw/zinc/45/49/03/509454903.db2.gz RPRXGOWJAXIGOX-QGZVFWFLSA-N 0 0 352.390 2.780 20 10 FFCDRN CC(=O)N1CCN(C(=O)[C@@H](C)Sc2ncc(C(C)(C)C)s2)CC1 ZINC000164328992 509490887 /nfs/dbraw/zinc/49/08/87/509490887.db2.gz GLHSCIDZEISCJJ-LLVKDONJSA-N 0 0 355.529 2.612 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1CSCCS1 ZINC000176414614 509495860 /nfs/dbraw/zinc/49/58/60/509495860.db2.gz TUDRZRKZRTUZJF-MRXNPFEDSA-N 0 0 351.541 2.935 20 10 FFCDRN Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)c2ccccc2)c(O)c1O ZINC000179533132 509498098 /nfs/dbraw/zinc/49/80/98/509498098.db2.gz PSWHJABSPRGUMV-MRXNPFEDSA-N 0 0 368.433 2.831 20 10 FFCDRN Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)c2ccccc2)c(O)c1O ZINC000179533147 509498548 /nfs/dbraw/zinc/49/85/48/509498548.db2.gz PSWHJABSPRGUMV-INIZCTEOSA-N 0 0 368.433 2.831 20 10 FFCDRN COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(F)cc3[O-])C2=O)cc1 ZINC000186050041 509498865 /nfs/dbraw/zinc/49/88/65/509498865.db2.gz BFVBUADTESFAMO-ACJLOTCBSA-N 0 0 358.413 2.992 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCc3cc(C)no3)CC2)cc1 ZINC000267636543 509576404 /nfs/dbraw/zinc/57/64/04/509576404.db2.gz ZBXNHSUWRPPWRH-UHFFFAOYSA-N 0 0 361.467 2.574 20 10 FFCDRN COc1cc(OC)c(CCNC(=O)N(C)Cc2ccccc2O)c(OC)c1 ZINC000264550567 509595666 /nfs/dbraw/zinc/59/56/66/509595666.db2.gz PBLLASNLIUBQLQ-UHFFFAOYSA-N 0 0 374.437 2.802 20 10 FFCDRN CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2[O-])cc1 ZINC000179748080 509603441 /nfs/dbraw/zinc/60/34/41/509603441.db2.gz WYJUNZYRXITBSB-UHFFFAOYSA-N 0 0 354.859 2.586 20 10 FFCDRN COc1ccc(N(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)cn1 ZINC000264602440 509618068 /nfs/dbraw/zinc/61/80/68/509618068.db2.gz DBXVOMRGTYCHSK-BJMVGYQFSA-N 0 0 353.422 2.603 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)Nc3cccn(C)c3=O)cc2)CC1 ZINC000173543230 509647160 /nfs/dbraw/zinc/64/71/60/509647160.db2.gz GQBJSEXNZBEDET-UHFFFAOYSA-N 0 0 354.454 2.943 20 10 FFCDRN C[C@@H](CO[C@@H]1CCOC1)NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000267892008 509659559 /nfs/dbraw/zinc/65/95/59/509659559.db2.gz SJVOFYXPPREJQF-HNAYVOBHSA-N 0 0 361.486 2.621 20 10 FFCDRN CCN(Cc1noc(CCCC(=O)OC)n1)c1ccc(OC)c(OC)c1 ZINC000264712495 509661695 /nfs/dbraw/zinc/66/16/95/509661695.db2.gz MQBPOCGBIYRTSD-UHFFFAOYSA-N 0 0 363.414 2.609 20 10 FFCDRN CCc1nc2ccccc2n1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000186384016 509682556 /nfs/dbraw/zinc/68/25/56/509682556.db2.gz CGYHOCBUXFARRE-CYBMUJFWSA-N 0 0 353.422 2.757 20 10 FFCDRN COc1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccc1O ZINC000268076466 509745166 /nfs/dbraw/zinc/74/51/66/509745166.db2.gz MVGSBLQUUNSMAE-MRXNPFEDSA-N 0 0 357.406 2.928 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc(NC(C)=O)c3C)CC2)cc1 ZINC000189808144 509762851 /nfs/dbraw/zinc/76/28/51/509762851.db2.gz YRGZYOCXJQCELZ-UHFFFAOYSA-N 0 0 367.449 2.924 20 10 FFCDRN COC[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1ccco1 ZINC000173766676 509765195 /nfs/dbraw/zinc/76/51/95/509765195.db2.gz QLROUJSHGGGONV-AHKGRUIUSA-N 0 0 356.422 2.633 20 10 FFCDRN Nc1ccc(CC(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)cc1 ZINC000237904063 509769495 /nfs/dbraw/zinc/76/94/95/509769495.db2.gz AJRNDAGGAWPPJN-IBGZPJMESA-N 0 0 373.884 2.654 20 10 FFCDRN Nc1ccc(NC(=O)c2cccc(S(=O)(=O)NC3CCCC3)c2)cc1 ZINC000238034194 509805190 /nfs/dbraw/zinc/80/51/90/509805190.db2.gz ZVPGSCBVWKJSIY-UHFFFAOYSA-N 0 0 359.451 2.742 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000183463995 509806248 /nfs/dbraw/zinc/80/62/48/509806248.db2.gz MZKZGVWIJOTKIC-CYBMUJFWSA-N 0 0 354.406 2.586 20 10 FFCDRN COc1ccc2[nH]cc(CC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)c2c1 ZINC000183485799 509819631 /nfs/dbraw/zinc/81/96/31/509819631.db2.gz SLXFNPCQBOVTKN-GFCCVEGCSA-N 0 0 354.406 2.878 20 10 FFCDRN CCN(C[C@H](O)C(F)(F)F)C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000189916810 509828374 /nfs/dbraw/zinc/82/83/74/509828374.db2.gz QGLGSQJTNQSJCO-AWEZNQCLSA-N 0 0 355.360 2.874 20 10 FFCDRN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000265125723 509874887 /nfs/dbraw/zinc/87/48/87/509874887.db2.gz DLZGQUNEMHAQEJ-IAGOWNOFSA-N 0 0 360.502 2.541 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1cc(C(F)(F)F)nc2ncnn21 ZINC000183598063 509878975 /nfs/dbraw/zinc/87/89/75/509878975.db2.gz ZIRFZHHAPIKWGC-MRVPVSSYSA-N 0 0 353.304 2.597 20 10 FFCDRN COc1cccc(CNC(=O)NCc2cc(Cl)cc3c2OCC3)c1O ZINC000186840859 509909529 /nfs/dbraw/zinc/90/95/29/509909529.db2.gz BFHNMCGTRFQDIV-UHFFFAOYSA-N 0 0 362.813 2.989 20 10 FFCDRN CCOC(=O)Cc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000268490825 509965252 /nfs/dbraw/zinc/96/52/52/509965252.db2.gz PQIJTAVINLLHOH-UHFFFAOYSA-N 0 0 358.394 2.568 20 10 FFCDRN CCc1nc(CC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cs1 ZINC000177288313 509980211 /nfs/dbraw/zinc/98/02/11/509980211.db2.gz JXIQFTXXUBDPDM-UHFFFAOYSA-N 0 0 363.458 2.745 20 10 FFCDRN COC(=O)C1(CNC(=O)c2cc(C)n(-c3ccccc3)c2C)CCOCC1 ZINC000183803646 509984070 /nfs/dbraw/zinc/98/40/70/509984070.db2.gz PNXGDBYNGLOQQQ-UHFFFAOYSA-N 0 0 370.449 2.794 20 10 FFCDRN CCC(=O)N1CC[C@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)C1 ZINC000268519016 509984579 /nfs/dbraw/zinc/98/45/79/509984579.db2.gz FRXMYYPUJDCNMM-KRWDZBQOSA-N 0 0 360.502 2.684 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1cccs1 ZINC000265324902 509993493 /nfs/dbraw/zinc/99/34/93/509993493.db2.gz WVJNFWAUKSGUPP-UHFFFAOYSA-N 0 0 359.495 2.981 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H]1CSCN1C(=O)OC(C)(C)C ZINC000268635156 510046869 /nfs/dbraw/zinc/04/68/69/510046869.db2.gz NGAJBCTXFBCYBT-CYBMUJFWSA-N 0 0 352.456 2.661 20 10 FFCDRN O=Cc1ccc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]1 ZINC000177497134 510096462 /nfs/dbraw/zinc/09/64/62/510096462.db2.gz GHRAVJFRVINSPZ-GFCCVEGCSA-N 0 0 363.364 2.827 20 10 FFCDRN NC(=O)N[C@@H](CC(=O)NCc1c(O)ccc2c1CCCC2)c1cccs1 ZINC000174514258 510152440 /nfs/dbraw/zinc/15/24/40/510152440.db2.gz DAWUHGPZFZRADF-HNNXBMFYSA-N 0 0 373.478 2.748 20 10 FFCDRN COc1ccc(CN2CCCN(C(=O)c3ccc(C)c(O)c3O)CC2)cc1 ZINC000177665303 510189585 /nfs/dbraw/zinc/18/95/85/510189585.db2.gz OWQMZANYUPAGAS-UHFFFAOYSA-N 0 0 370.449 2.763 20 10 FFCDRN CS(=O)(=O)N1CCc2c1cccc2NCc1cccc(Cl)c1O ZINC000184227505 510205696 /nfs/dbraw/zinc/20/56/96/510205696.db2.gz VHJIQZTUPIPRDN-UHFFFAOYSA-N 0 0 352.843 2.980 20 10 FFCDRN O=C(N[C@@H]1CCCc2c[nH]nc21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269050987 510212291 /nfs/dbraw/zinc/21/22/91/510212291.db2.gz VLOCDKMKDXELFZ-DLBZAZTESA-N 0 0 370.453 2.884 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)cc1 ZINC000184295093 510246085 /nfs/dbraw/zinc/24/60/85/510246085.db2.gz OJLXTLZNUTUCSM-UHFFFAOYSA-N 0 0 370.409 2.538 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c(O)cccc1F ZINC000187498266 510301291 /nfs/dbraw/zinc/30/12/91/510301291.db2.gz HCKNSNDRPBCDIK-UHFFFAOYSA-N 0 0 362.376 2.562 20 10 FFCDRN COC(=O)c1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000269342655 510351088 /nfs/dbraw/zinc/35/10/88/510351088.db2.gz CHPMDNCIYKMOCY-CQSZACIVSA-N 0 0 359.378 2.593 20 10 FFCDRN COc1ccc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)c1 ZINC000266055155 510382852 /nfs/dbraw/zinc/38/28/52/510382852.db2.gz PECJJRJWHVAHFH-UHFFFAOYSA-N 0 0 358.413 2.909 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1cccnc1 ZINC000175003880 510429793 /nfs/dbraw/zinc/42/97/93/510429793.db2.gz GOPIRTWPBGZJSH-MRXNPFEDSA-N 0 0 353.466 2.710 20 10 FFCDRN Cc1cc2c(cc1C)O[C@H](C(=O)NCc1ccc(N3CCOCC3)cc1)C2 ZINC000266275614 510493967 /nfs/dbraw/zinc/49/39/67/510493967.db2.gz PGCZVGZTRFCUPH-NRFANRHFSA-N 0 0 366.461 2.760 20 10 FFCDRN Cc1cc(F)cc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000178272480 510521034 /nfs/dbraw/zinc/52/10/34/510521034.db2.gz SBLRNKYSWOXMIT-UHFFFAOYSA-N 0 0 355.413 2.989 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC000266359246 510538648 /nfs/dbraw/zinc/53/86/48/510538648.db2.gz RKPSOVWGIGTUKJ-OAHLLOKOSA-N 0 0 369.396 2.743 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)N(C)Cc1c(F)cccc1Cl ZINC000269794942 510549897 /nfs/dbraw/zinc/54/98/97/510549897.db2.gz NROLDLYTESWZIO-UHFFFAOYSA-N 0 0 372.849 2.993 20 10 FFCDRN CCOC(=O)NCCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000269839013 510566011 /nfs/dbraw/zinc/56/60/11/510566011.db2.gz NBDAXTGUKUCMHE-UHFFFAOYSA-N 0 0 367.409 2.861 20 10 FFCDRN O=Cc1ccc(OCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000269843230 510567315 /nfs/dbraw/zinc/56/73/15/510567315.db2.gz SBWGRGOXFFWSRK-LJQANCHMSA-N 0 0 369.417 2.791 20 10 FFCDRN O=Cc1ccc(OCC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000269843227 510567487 /nfs/dbraw/zinc/56/74/87/510567487.db2.gz SBWGRGOXFFWSRK-IBGZPJMESA-N 0 0 369.417 2.791 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3c(C)cccc3C)cc2)CC1 ZINC000188117881 510602827 /nfs/dbraw/zinc/60/28/27/510602827.db2.gz GYUYFRHEXYIUGB-UHFFFAOYSA-N 0 0 365.477 2.902 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000175474948 510659531 /nfs/dbraw/zinc/65/95/31/510659531.db2.gz UOCRDMFTHJASKP-LSDHHAIUSA-N 0 0 353.509 2.980 20 10 FFCDRN CCSCC[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000266612683 510687275 /nfs/dbraw/zinc/68/72/75/510687275.db2.gz WHFLODOKNHDZRV-HNNXBMFYSA-N 0 0 351.516 2.854 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2c[nH]c(=S)[nH]2)cc1 ZINC000188322884 510709583 /nfs/dbraw/zinc/70/95/83/510709583.db2.gz NADAKNZFINASMT-OAHLLOKOSA-N 0 0 360.483 2.586 20 10 FFCDRN CNS(=O)(=O)c1ccc2c(c1)N(C/C=C/c1ccccc1[N+](=O)[O-])CC2 ZINC000191556094 510721974 /nfs/dbraw/zinc/72/19/74/510721974.db2.gz AMBYVEYLLBUHFQ-GQCTYLIASA-N 0 0 373.434 2.579 20 10 FFCDRN Cc1nc(CNC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)no1 ZINC000266717450 510747670 /nfs/dbraw/zinc/74/76/70/510747670.db2.gz ANIFPPJNALLPSF-UHFFFAOYSA-N 0 0 369.425 2.949 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2[O-])c1 ZINC000185322532 510806834 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COc1cc([N+](=O)[O-])c(N2CCC(OC[C@@H]3CCOC3)CC2)cc1OC ZINC000360323514 510897414 /nfs/dbraw/zinc/89/74/14/510897414.db2.gz PJJYNDYDLLGZLM-CYBMUJFWSA-N 0 0 366.414 2.634 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ncn(C)n1 ZINC000275600368 510906481 /nfs/dbraw/zinc/90/64/81/510906481.db2.gz DRSALAIIPASJIM-OAHLLOKOSA-N 0 0 356.474 2.612 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000275892803 510920749 /nfs/dbraw/zinc/92/07/49/510920749.db2.gz MDBDRBOXVBULSL-UHFFFAOYSA-N 0 0 370.405 2.541 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CC(=O)c2ccccc21 ZINC000276503866 510939610 /nfs/dbraw/zinc/93/96/10/510939610.db2.gz XPHXNFHGEIXCJT-HXUWFJFHSA-N 0 0 364.445 2.852 20 10 FFCDRN O=C(NCCC1CCN(CC(F)(F)F)CC1)c1c(F)ccc(O)c1O ZINC000276511020 510940289 /nfs/dbraw/zinc/94/02/89/510940289.db2.gz BDRWXRNIIOWSQM-UHFFFAOYSA-N 0 0 364.339 2.631 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](C)[S@](=O)CC2)cc1 ZINC000297442777 510947173 /nfs/dbraw/zinc/94/71/73/510947173.db2.gz 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20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)cc1 ZINC000299048301 511496789 /nfs/dbraw/zinc/49/67/89/511496789.db2.gz SKVWSSRGFGJYTI-SFHVURJKSA-N 0 0 369.465 2.999 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C2)c(O)c1O ZINC000272766538 511506769 /nfs/dbraw/zinc/50/67/69/511506769.db2.gz RJYPYLSUWZCYEE-GXTWGEPZSA-N 0 0 364.442 2.782 20 10 FFCDRN COC[C@H](CNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1)OC ZINC000273035124 511515386 /nfs/dbraw/zinc/51/53/86/511515386.db2.gz YPAVXEGPCFYYON-AWZKZOKMSA-N 0 0 370.409 2.818 20 10 FFCDRN Cc1nn(C(C)(C)C)cc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000273086420 511516460 /nfs/dbraw/zinc/51/64/60/511516460.db2.gz RQTSJQBVEOWNRZ-UHFFFAOYSA-N 0 0 356.470 2.713 20 10 FFCDRN CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000273171464 511518946 /nfs/dbraw/zinc/51/89/46/511518946.db2.gz MNEWSFSZVMWADS-CYBMUJFWSA-N 0 0 371.437 2.989 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NOCc1ccc(F)cc1 ZINC000273406231 511524416 /nfs/dbraw/zinc/52/44/16/511524416.db2.gz PROILGJFNDGSMX-UHFFFAOYSA-N 0 0 359.401 2.593 20 10 FFCDRN C[C@@H]1C[C@H](CCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1 ZINC000273529028 511531215 /nfs/dbraw/zinc/53/12/15/511531215.db2.gz KFUCBIKKQXDBDW-JNTLCICBSA-N 0 0 358.482 2.858 20 10 FFCDRN CC(C)n1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1 ZINC000280618718 511535597 /nfs/dbraw/zinc/53/55/97/511535597.db2.gz YOINVNODZPLOBV-UHFFFAOYSA-N 0 0 361.421 2.761 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)C3(S(C)(=O)=O)CCC3)cc2)CC1 ZINC000280630591 511540586 /nfs/dbraw/zinc/54/05/86/511540586.db2.gz XHNIMJBYTAGZJW-UHFFFAOYSA-N 0 0 364.511 2.506 20 10 FFCDRN CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc(C(=O)OC)ccc2[O-])C1 ZINC000273593234 511545841 /nfs/dbraw/zinc/54/58/41/511545841.db2.gz PTBPGULYVTXWCM-UMJSBCRBSA-N 0 0 353.484 2.909 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(=O)N(C)C)c1 ZINC000273610858 511550859 /nfs/dbraw/zinc/55/08/59/511550859.db2.gz VTJZLKZODUXHLJ-KDOFPFPSSA-N 0 0 370.449 2.529 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](N2CCNC2=O)C1 ZINC000363438846 511551977 /nfs/dbraw/zinc/55/19/77/511551977.db2.gz VFIVJBVHDUXADC-HNNXBMFYSA-N 0 0 372.494 2.785 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(N(C)C)cc2C(F)(F)F)CCS(=O)(=O)C1 ZINC000280672745 511557612 /nfs/dbraw/zinc/55/76/12/511557612.db2.gz UJVVRDWSBHFMDT-GFCCVEGCSA-N 0 0 364.433 2.638 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3ccccc3O)C2)cc1 ZINC000299615946 511665886 /nfs/dbraw/zinc/66/58/86/511665886.db2.gz YRMBKPYHTNLYHY-GOSISDBHSA-N 0 0 352.434 2.869 20 10 FFCDRN O=S(=O)(CCC(F)(F)F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000284375549 511701591 /nfs/dbraw/zinc/70/15/91/511701591.db2.gz RQYYWWBLROLVTJ-CYBMUJFWSA-N 0 0 367.389 2.655 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCc4c([nH]c5ccccc54)C3)cc2N1 ZINC000301849904 511702633 /nfs/dbraw/zinc/70/26/33/511702633.db2.gz WIOITOWGKZKNSK-UHFFFAOYSA-N 0 0 364.361 2.970 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC(O)(c3ccc(F)cc3)C2)c([N+](=O)[O-])c1 ZINC000302345456 511708513 /nfs/dbraw/zinc/70/85/13/511708513.db2.gz XLEGRVQGFCMTKS-YCRREMRBSA-N 0 0 372.352 2.628 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nc2c(cnn2C)c(N)n1 ZINC000302828352 511716965 /nfs/dbraw/zinc/71/69/65/511716965.db2.gz IQEZUNJNCFVSIE-UHFFFAOYSA-N 0 0 351.458 2.572 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc2cnccc2c1 ZINC000281134111 511732211 /nfs/dbraw/zinc/73/22/11/511732211.db2.gz FGDLWGXEQYIOEY-UHFFFAOYSA-N 0 0 362.433 2.739 20 10 FFCDRN O=C(Nc1cncnc1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000274360173 511808216 /nfs/dbraw/zinc/80/82/16/511808216.db2.gz PCCKXECGWTWDHE-GFCCVEGCSA-N 0 0 363.368 2.869 20 10 FFCDRN CN(c1ccc(CNC(=O)C(=O)Nc2cncnc2)cc1)C1CCCCC1 ZINC000274390688 511818749 /nfs/dbraw/zinc/81/87/49/511818749.db2.gz WQTAWHSQDLTOQA-UHFFFAOYSA-N 0 0 367.453 2.500 20 10 FFCDRN COc1ncc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000284884069 511912542 /nfs/dbraw/zinc/91/25/42/511912542.db2.gz LFFGMHXYPCWBQB-UHFFFAOYSA-N 0 0 361.829 2.510 20 10 FFCDRN COCCCCSCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000285009450 511966785 /nfs/dbraw/zinc/96/67/85/511966785.db2.gz HLQCCDLHWMXUDH-UHFFFAOYSA-N 0 0 352.500 2.504 20 10 FFCDRN CNC(=O)Oc1cccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000297114887 512025773 /nfs/dbraw/zinc/02/57/73/512025773.db2.gz QNVMWDWJKKCLMA-UHFFFAOYSA-N 0 0 370.409 2.902 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(C)C[C@@H](O)Cc2ccccc2)cc1F ZINC000297118944 512027006 /nfs/dbraw/zinc/02/70/06/512027006.db2.gz GXPHPUOIBNXNQS-KRWDZBQOSA-N 0 0 359.445 2.637 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1([S@@](C)=O)CC1 ZINC000282039160 512054724 /nfs/dbraw/zinc/05/47/24/512054724.db2.gz UNERXEQFCGNQSS-XMMPIXPASA-N 0 0 351.516 2.584 20 10 FFCDRN CNC(=O)CCNC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000282064861 512063708 /nfs/dbraw/zinc/06/37/08/512063708.db2.gz AXUVMBDLQICLFO-ZDUSSCGKSA-N 0 0 366.893 2.512 20 10 FFCDRN CNc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000293734805 512067379 /nfs/dbraw/zinc/06/73/79/512067379.db2.gz NOMMKTDQHNIZIV-UHFFFAOYSA-N 0 0 357.429 2.759 20 10 FFCDRN COc1ccc(CNC(=O)[C@]2(C)CCCN2C(=O)c2ccccc2)c(O)c1 ZINC000373670736 512451596 /nfs/dbraw/zinc/45/15/96/512451596.db2.gz TUGQWNZKMMLNRB-NRFANRHFSA-N 0 0 368.433 2.712 20 10 FFCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1O ZINC000375823212 512525958 /nfs/dbraw/zinc/52/59/58/512525958.db2.gz JGWDUACDZNTOTH-FUHWJXTLSA-N 0 0 361.417 2.556 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)C[C@]2(CCOC2)O1 ZINC000373831695 512526950 /nfs/dbraw/zinc/52/69/50/512526950.db2.gz KIBRGGLWJTVSNO-CTNGQTDRSA-N 0 0 371.481 2.542 20 10 FFCDRN CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(F)cc1[O-] ZINC000367722654 512632080 /nfs/dbraw/zinc/63/20/80/512632080.db2.gz BNFAZPGPCISAJB-FUHWJXTLSA-N 0 0 354.491 2.780 20 10 FFCDRN O=C(/C=C/c1cccnc1)N1CC(=O)Nc2ccc(Br)cc21 ZINC000378265078 512665715 /nfs/dbraw/zinc/66/57/15/512665715.db2.gz DTVDUJPJUAASEH-ZZXKWVIFSA-N 0 0 358.195 2.843 20 10 FFCDRN O=C(c1occ2c1CCOC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000376144681 512681563 /nfs/dbraw/zinc/68/15/63/512681563.db2.gz PQPVMBPPFSETGO-INIZCTEOSA-N 0 0 357.406 2.879 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)c1 ZINC000372296644 512801451 /nfs/dbraw/zinc/80/14/51/512801451.db2.gz WVSHJGRSJPSSRT-KRWDZBQOSA-N 0 0 369.421 2.698 20 10 FFCDRN O=C(CC[C@H]1CCOC1)N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC000376612975 512899275 /nfs/dbraw/zinc/89/92/75/512899275.db2.gz XYZNVGNGSPXKAG-YOEHRIQHSA-N 0 0 366.889 2.943 20 10 FFCDRN CO[C@@H]1CCN2C(=O)N(Cc3ccc(N4CCC(C)CC4)cc3)C(=O)[C@H]2C1 ZINC000372865807 513080161 /nfs/dbraw/zinc/08/01/61/513080161.db2.gz LWQXYYUJZPEGPT-RTBURBONSA-N 0 0 371.481 2.865 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1nn(C)c2ccccc12 ZINC000421496028 513284361 /nfs/dbraw/zinc/28/43/61/513284361.db2.gz DQVGQTFQNDGCKP-UHFFFAOYSA-N 0 0 350.422 2.607 20 10 FFCDRN CC(=O)Nc1ccccc1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000435815893 513691660 /nfs/dbraw/zinc/69/16/60/513691660.db2.gz HOGQESIOZADCOD-UHFFFAOYSA-N 0 0 353.422 2.679 20 10 FFCDRN COc1cccc(OCCC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000450049798 514480580 /nfs/dbraw/zinc/48/05/80/514480580.db2.gz RBYZIQULLKJMSG-UHFFFAOYSA-N 0 0 356.422 2.956 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)Cn3cccn3)ccc21 ZINC000484720232 514764733 /nfs/dbraw/zinc/76/47/33/514764733.db2.gz LLPHNKDEKBUMHR-AWEZNQCLSA-N 0 0 354.454 2.920 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1nn(C)c2ccccc2c1=O ZINC000471238169 514809121 /nfs/dbraw/zinc/80/91/21/514809121.db2.gz GVXLTSYNXINXAP-UHFFFAOYSA-N 0 0 360.417 2.664 20 10 FFCDRN COCCn1cc(C(=O)NCc2c(C)c3ccccc3n2C)c(=O)cc1C ZINC000509409461 515162688 /nfs/dbraw/zinc/16/26/88/515162688.db2.gz CHPFGXSFYJBRRD-UHFFFAOYSA-N 0 0 367.449 2.533 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N=c1ccn(Cc2ccncc2)[nH]1 ZINC000467925083 515167948 /nfs/dbraw/zinc/16/79/48/515167948.db2.gz VFDBFJYKPNFRIE-UHFFFAOYSA-N 0 0 374.448 2.870 20 10 FFCDRN COc1ncnc(N(C)C)c1NC(=O)NCc1c(C)c2ccccc2n1C ZINC000467930114 515168730 /nfs/dbraw/zinc/16/87/30/515168730.db2.gz PAIJQZPGXXATQC-UHFFFAOYSA-N 0 0 368.441 2.673 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCNC(=O)C1CCC1 ZINC000472219349 515174062 /nfs/dbraw/zinc/17/40/62/515174062.db2.gz CZFKSMRSWPCLEP-UHFFFAOYSA-N 0 0 356.470 2.592 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1nc(C)cc(N(C)C)n1 ZINC000505931908 515728538 /nfs/dbraw/zinc/72/85/38/515728538.db2.gz HHWGDLOIZMKXJW-UHFFFAOYSA-N 0 0 352.442 2.973 20 10 FFCDRN Cc1nc(-c2cccc(C(=O)N3CCOc4cc(N(C)C)ccc43)c2)n[nH]1 ZINC000474985725 516258861 /nfs/dbraw/zinc/25/88/61/516258861.db2.gz LWYCEHFJVNBLHI-UHFFFAOYSA-N 0 0 363.421 2.885 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc2ccccc2c(=O)n1C ZINC000513682730 516717409 /nfs/dbraw/zinc/71/74/09/516717409.db2.gz BIJOXJVEUQYHOH-UHFFFAOYSA-N 0 0 363.417 2.644 20 10 FFCDRN Cc1oc(C(=O)NCc2c(O)ccc3c2CCCC3)cc1S(C)(=O)=O ZINC000528863695 516758125 /nfs/dbraw/zinc/75/81/25/516758125.db2.gz PFAYPNXWWLQIKG-UHFFFAOYSA-N 0 0 363.435 2.506 20 10 FFCDRN CCS(=O)(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)o2)cc1 ZINC000541181220 516915149 /nfs/dbraw/zinc/91/51/49/516915149.db2.gz BUNARIBTSSYRIO-UHFFFAOYSA-N 0 0 361.444 2.951 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCc1cccc(F)c1 ZINC000550183255 517912660 /nfs/dbraw/zinc/91/26/60/517912660.db2.gz SKZBHEWKLYPNHT-UHFFFAOYSA-N 0 0 367.424 2.601 20 10 FFCDRN COc1cccnc1N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000527994456 518032588 /nfs/dbraw/zinc/03/25/88/518032588.db2.gz RWGCHCIAZMRLHF-UHFFFAOYSA-N 0 0 363.417 2.913 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCC[C@@H]1CCCCO1 ZINC000582082549 518579310 /nfs/dbraw/zinc/57/93/10/518579310.db2.gz NVWUJCUDNPUVTD-INIZCTEOSA-N 0 0 371.481 2.568 20 10 FFCDRN Cc1cncc(C=CC(=O)N(C)c2cc(Cl)ccc2-c2nn[nH]n2)c1 ZINC000822399148 607404681 /nfs/dbraw/zinc/40/46/81/607404681.db2.gz ANIIZFMTJWGGFU-ZZXKWVIFSA-N 0 0 354.801 2.900 20 10 FFCDRN Oc1ccccc1CN(Cc1ccco1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826511345 607520788 /nfs/dbraw/zinc/52/07/88/607520788.db2.gz LULDRSZKVSWQCO-UHFFFAOYSA-N 0 0 362.393 2.763 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822168900 606439052 /nfs/dbraw/zinc/43/90/52/606439052.db2.gz VEMZWKKJXLDEIR-LBPRGKRZSA-N 0 0 350.426 2.899 20 10 FFCDRN Fc1ccc(CNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)nc1 ZINC000822772200 606836122 /nfs/dbraw/zinc/83/61/22/606836122.db2.gz UACLAAQVHYHRQE-UHFFFAOYSA-N 0 0 363.809 2.541 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000154611491 728808182 /nfs/dbraw/zinc/80/81/82/728808182.db2.gz KROHFHFANRZOIX-GFCCVEGCSA-N 0 0 351.501 2.938 20 10 FFCDRN CSCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000743521930 735303132 /nfs/dbraw/zinc/30/31/32/735303132.db2.gz SNXDJAFHZJGRSE-LBPRGKRZSA-N 0 0 359.442 2.919 20 10 FFCDRN C[C@H](NC(=O)Cc1ccn(CC(F)(F)F)n1)c1ccc(N(C)C)cc1 ZINC000898049186 735307096 /nfs/dbraw/zinc/30/70/96/735307096.db2.gz WGJUKFDRVILHKX-LBPRGKRZSA-N 0 0 354.376 2.931 20 10 FFCDRN COc1cccc(CNC(=O)NCc2noc(-c3cccs3)n2)c1O ZINC000745784603 735444413 /nfs/dbraw/zinc/44/44/13/735444413.db2.gz DGIPEWJXHXVXRR-UHFFFAOYSA-N 0 0 360.395 2.512 20 10 FFCDRN Cc1cc(C)c2c(N)c(C(=O)OCC(=O)NCc3ccco3)sc2n1 ZINC000010644851 727806891 /nfs/dbraw/zinc/80/68/91/727806891.db2.gz WJVIGUQVLMCMJF-UHFFFAOYSA-N 0 0 359.407 2.562 20 10 FFCDRN CCOc1ccc(N(CC)Cc2ccc(S(=O)(=O)N(C)C)o2)cc1 ZINC000746159011 735466567 /nfs/dbraw/zinc/46/65/67/735466567.db2.gz MOBLOSJHNXYZBJ-UHFFFAOYSA-N 0 0 352.456 2.955 20 10 FFCDRN CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000018215295 727830161 /nfs/dbraw/zinc/83/01/61/727830161.db2.gz LWEYUDIACSGYAR-KRWDZBQOSA-N 0 0 359.495 2.885 20 10 FFCDRN Nc1ccc(CC(=O)Nc2ccccc2C(=O)NCC(F)(F)F)cc1 ZINC000746403945 735481668 /nfs/dbraw/zinc/48/16/68/735481668.db2.gz WEROOBOWEAAUAT-UHFFFAOYSA-N 0 0 351.328 2.742 20 10 FFCDRN COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1SC ZINC000746342037 735478146 /nfs/dbraw/zinc/47/81/46/735478146.db2.gz KDBDQCDJEJSAPS-UVTDQMKNSA-N 0 0 350.465 2.720 20 10 FFCDRN CC(=O)c1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1 ZINC000041374401 727939593 /nfs/dbraw/zinc/93/95/93/727939593.db2.gz FXODMZCWTXZPHS-UHFFFAOYSA-N 0 0 360.435 2.527 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)CC2(CS(C)(=O)=O)CC2)cc1 ZINC000746824232 735511078 /nfs/dbraw/zinc/51/10/78/735511078.db2.gz BSQNFDRNYULUIK-UHFFFAOYSA-N 0 0 366.527 2.706 20 10 FFCDRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@@H](C)c1ccccc1 ZINC000080101901 728321902 /nfs/dbraw/zinc/32/19/02/728321902.db2.gz FXRLWMNXJIGCKN-OLZOCXBDSA-N 0 0 362.451 2.686 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCc3ncc(C)s3)CC2)cc1F ZINC000084890881 728427112 /nfs/dbraw/zinc/42/71/12/728427112.db2.gz OXVODBJVDCAJMV-UHFFFAOYSA-N 0 0 364.446 2.631 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccc(OCC(F)F)n2)c1 ZINC000089817268 728446528 /nfs/dbraw/zinc/44/65/28/728446528.db2.gz UGDFPFLPMLCEHM-SNVBAGLBSA-N 0 0 352.337 2.931 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)c1ccc(F)cc1 ZINC000111238370 728535414 /nfs/dbraw/zinc/53/54/14/728535414.db2.gz GTYBLFQAYYFRTP-QGZVFWFLSA-N 0 0 367.804 2.893 20 10 FFCDRN Cc1cccc(NC(=O)NCC(=O)NCCCSc2nccs2)c1 ZINC000114375932 728559969 /nfs/dbraw/zinc/55/99/69/728559969.db2.gz CQMVVQDGIDBNDC-UHFFFAOYSA-N 0 0 364.496 2.872 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cc(Cl)nc(N3CCCC3)c2)c1 ZINC000114544297 728561168 /nfs/dbraw/zinc/56/11/68/728561168.db2.gz SLXYZNACWLDYOR-UHFFFAOYSA-N 0 0 361.829 2.979 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 ZINC000114612044 728561638 /nfs/dbraw/zinc/56/16/38/728561638.db2.gz DJCIGICJUSPZJX-UHFFFAOYSA-N 0 0 369.204 2.963 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)cc1F ZINC000115592762 728566480 /nfs/dbraw/zinc/56/64/80/728566480.db2.gz CCPCAPZTMHJGNG-UHFFFAOYSA-N 0 0 352.431 2.687 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccnc(OCC(F)F)c2)cc1F ZINC000121463935 728627932 /nfs/dbraw/zinc/62/79/32/728627932.db2.gz DFZWOCBJFMRFKQ-UHFFFAOYSA-N 0 0 353.344 2.861 20 10 FFCDRN COc1ccc(N(C)CCNS(=O)(=O)c2ccccc2)cc1Cl ZINC000121853442 728640649 /nfs/dbraw/zinc/64/06/49/728640649.db2.gz QSCTUFBTDOUEPJ-UHFFFAOYSA-N 0 0 354.859 2.763 20 10 FFCDRN Cc1cc(C(=O)N2CC(CO)C2)c(C)n1-c1ccccc1Br ZINC000122561990 728648804 /nfs/dbraw/zinc/64/88/04/728648804.db2.gz JJNOTYCAYNLVPZ-UHFFFAOYSA-N 0 0 363.255 2.921 20 10 FFCDRN O=C(CSCc1ccco1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000126423843 728701884 /nfs/dbraw/zinc/70/18/84/728701884.db2.gz GKRRAVDYDDCEGN-UHFFFAOYSA-N 0 0 364.442 2.805 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000126450794 728702805 /nfs/dbraw/zinc/70/28/05/728702805.db2.gz DHMXXKQJKQTYFJ-UHFFFAOYSA-N 0 0 353.465 2.910 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CNC(=O)NCc1ccc(Cl)cc1 ZINC000136942864 728740006 /nfs/dbraw/zinc/74/00/06/728740006.db2.gz ULLMOIZEEAVULT-UHFFFAOYSA-N 0 0 361.829 2.503 20 10 FFCDRN CSCCCNC(=S)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000140006008 728741443 /nfs/dbraw/zinc/74/14/43/728741443.db2.gz OGTMOBPGLKUOJD-AWEZNQCLSA-N 0 0 353.557 2.801 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1F ZINC000150906108 728743736 /nfs/dbraw/zinc/74/37/36/728743736.db2.gz QZDCAQFLCLOOEI-UHFFFAOYSA-N 0 0 370.471 2.715 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1cccnn1 ZINC000151826444 728746991 /nfs/dbraw/zinc/74/69/91/728746991.db2.gz LILYGXUFWTUWAD-UHFFFAOYSA-N 0 0 351.204 2.999 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1ccnc(-n2cccn2)c1 ZINC000152087160 728747841 /nfs/dbraw/zinc/74/78/41/728747841.db2.gz SHWIHZFPBFYKNC-UHFFFAOYSA-N 0 0 374.495 2.705 20 10 FFCDRN Cc1nc2n(n1)C[C@@H](NC(=O)c1sccc1-n1c(C)ccc1C)CC2 ZINC000171455540 729004899 /nfs/dbraw/zinc/00/48/99/729004899.db2.gz BOLKRXYSDFCWDJ-AWEZNQCLSA-N 0 0 355.467 2.800 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SC[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000175241080 729090985 /nfs/dbraw/zinc/09/09/85/729090985.db2.gz ZUULLENNMFOYAB-CQSZACIVSA-N 0 0 365.524 2.851 20 10 FFCDRN COc1cc(OC)cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000178400585 729161639 /nfs/dbraw/zinc/16/16/39/729161639.db2.gz OWWDOKQYUVLUBJ-UHFFFAOYSA-N 0 0 364.467 2.591 20 10 FFCDRN Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3O)CC2)cc1C ZINC000179557934 729188777 /nfs/dbraw/zinc/18/87/77/729188777.db2.gz ZSDGOJSYJGVHLV-UHFFFAOYSA-N 0 0 360.479 2.516 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000179946288 729198967 /nfs/dbraw/zinc/19/89/67/729198967.db2.gz SDIDMLFJAVYCMP-UHFFFAOYSA-N 0 0 369.204 2.702 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NC[C@H]2CC[C@@H](C(F)(F)F)O2)c1 ZINC000924501780 738420772 /nfs/dbraw/zinc/42/07/72/738420772.db2.gz VVZYZLGOXCSCKR-PXWWUCIGSA-N 0 0 362.348 2.871 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCCc1csc(N2CCCC2)n1 ZINC000180783757 729224194 /nfs/dbraw/zinc/22/41/94/729224194.db2.gz WMEBFCVLIROSFU-GQCTYLIASA-N 0 0 359.451 2.527 20 10 FFCDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1ccc(O)c(O)c1 ZINC000778919066 738420967 /nfs/dbraw/zinc/42/09/67/738420967.db2.gz SEMFHGGIRVGPEB-UHFFFAOYSA-N 0 0 366.757 2.745 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1c[nH]c(=S)n1-c1ccc(F)cc1 ZINC000778916500 738421033 /nfs/dbraw/zinc/42/10/33/738421033.db2.gz JMHKDZVSTRZKQM-UHFFFAOYSA-N 0 0 359.382 2.641 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)c1nnnn1C1CC1 ZINC000190339966 729407389 /nfs/dbraw/zinc/40/73/89/729407389.db2.gz PHWNJUAPWHLFHO-LBPRGKRZSA-N 0 0 356.455 2.968 20 10 FFCDRN CC(C)Oc1ccc(N(C)CCOc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000191593269 729418026 /nfs/dbraw/zinc/41/80/26/729418026.db2.gz DOUMFMSGZSMHNN-UHFFFAOYSA-N 0 0 364.467 2.636 20 10 FFCDRN C=Cc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1 ZINC000191961519 729420774 /nfs/dbraw/zinc/42/07/74/729420774.db2.gz QFXWJGAXOCLOJG-UHFFFAOYSA-N 0 0 356.447 2.817 20 10 FFCDRN O=C(Nc1cnns1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000192338784 729423806 /nfs/dbraw/zinc/42/38/06/729423806.db2.gz ZULXSHLJNRHPDQ-SNVBAGLBSA-N 0 0 369.397 2.930 20 10 FFCDRN CC[NH+]1CCN(c2ccc(CNc3ncc([N+](=O)[O-])s3)cc2F)CC1 ZINC000192452000 729425364 /nfs/dbraw/zinc/42/53/64/729425364.db2.gz ASUOLONAASHKSU-UHFFFAOYSA-N 0 0 365.434 2.944 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)cc1F ZINC000194624921 729516143 /nfs/dbraw/zinc/51/61/43/729516143.db2.gz BGWATMIQYRJNRD-UHFFFAOYSA-N 0 0 356.394 2.518 20 10 FFCDRN Cc1nnsc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000194778484 729520101 /nfs/dbraw/zinc/52/01/01/729520101.db2.gz LUKIQIPICJFHCL-MRXNPFEDSA-N 0 0 360.483 2.734 20 10 FFCDRN CCOC(=O)c1c2c(sc1NC(=O)[C@@H](C)CC(=O)OC)CCCC2 ZINC000759035537 736542356 /nfs/dbraw/zinc/54/23/56/736542356.db2.gz LFHQCFWEWIRIMP-JTQLQIEISA-N 0 0 353.440 2.941 20 10 FFCDRN CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000382736686 729835180 /nfs/dbraw/zinc/83/51/80/729835180.db2.gz MZLCPRBBQVVJTC-CYBMUJFWSA-N 0 0 356.850 2.771 20 10 FFCDRN CO[C@H]1CCC[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761207659 736707890 /nfs/dbraw/zinc/70/78/90/736707890.db2.gz HIXHMHOMHFUCNY-ABAIWWIYSA-N 0 0 352.818 2.625 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1nc(Cl)ccc1F ZINC000856212355 730316182 /nfs/dbraw/zinc/31/61/82/730316182.db2.gz LDFFELBFXKSOKS-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[C@@H]1CC1(F)F ZINC000856884492 730364055 /nfs/dbraw/zinc/36/40/55/730364055.db2.gz BWMMKIOLYZCJRO-OAHLLOKOSA-N 0 0 353.413 2.710 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCC[C@H]([S@](C)=O)C2)c(C)n1-c1ccccn1 ZINC000857309091 730390526 /nfs/dbraw/zinc/39/05/26/730390526.db2.gz OXOXXIKJRWGYGZ-TWKFVSLJSA-N 0 0 359.495 2.909 20 10 FFCDRN CCc1[nH]nc(Cl)c1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000858785630 730433739 /nfs/dbraw/zinc/43/37/39/730433739.db2.gz INXZKSGNNFWDBE-LBPRGKRZSA-N 0 0 362.861 2.953 20 10 FFCDRN COC[C@@H](C)CS(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000859363214 730452057 /nfs/dbraw/zinc/45/20/57/730452057.db2.gz SYJXBTVASWITQL-CQSZACIVSA-N 0 0 350.484 2.796 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@@]3(C)Br)CC2)cc1F ZINC000859966175 730470702 /nfs/dbraw/zinc/47/07/02/730470702.db2.gz QERFRDABWAXVLP-BLLLJJGKSA-N 0 0 371.250 2.656 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3[C@@H](C)[C@H](C)O[C@H]3C)CC2)cc1F ZINC000859966482 730470764 /nfs/dbraw/zinc/47/07/64/730470764.db2.gz YXYVZMCIPDMGSV-NUXNZHGMSA-N 0 0 350.434 2.542 20 10 FFCDRN Cc1cc(CN2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)no1 ZINC000862214531 730677055 /nfs/dbraw/zinc/67/70/55/730677055.db2.gz UOFDJNGGBZLFBQ-UHFFFAOYSA-N 0 0 350.413 2.645 20 10 FFCDRN C[C@@H](CS(C)(=O)=O)N(Cc1c(O)cccc1Br)C1CC1 ZINC000862245624 730681082 /nfs/dbraw/zinc/68/10/82/730681082.db2.gz UKBNFNSNEGEZQU-JTQLQIEISA-N 0 0 362.289 2.552 20 10 FFCDRN O=C1NCCN(Cc2c(O)cccc2Br)[C@@H]1c1cccs1 ZINC000862247794 730681436 /nfs/dbraw/zinc/68/14/36/730681436.db2.gz CJWBLDLGQYRLQE-CQSZACIVSA-N 0 0 367.268 2.889 20 10 FFCDRN CC(C)(C)NC(=O)N1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862328989 730688539 /nfs/dbraw/zinc/68/85/39/730688539.db2.gz UNTWRPPRZPNBTA-UHFFFAOYSA-N 0 0 370.291 2.780 20 10 FFCDRN CCOC(=O)[C@@H](NCc1c(O)cccc1Br)C1CCOCC1 ZINC000862338609 730690270 /nfs/dbraw/zinc/69/02/70/730690270.db2.gz FJOGURCTWUMNJL-HNNXBMFYSA-N 0 0 372.259 2.603 20 10 FFCDRN CC1=C(C(=O)OC(C)C)[C@@H](c2cc(F)c(N(C)C)cc2F)NC(=O)N1 ZINC000863391270 730775412 /nfs/dbraw/zinc/77/54/12/730775412.db2.gz IBXRGQFOYMOCCH-OAHLLOKOSA-N 0 0 353.369 2.610 20 10 FFCDRN CC(=O)Nc1ccc(S(=O)(=O)CCCN(C)c2ccc(N)cc2)cc1 ZINC000863557220 730790172 /nfs/dbraw/zinc/79/01/72/730790172.db2.gz KBDGNXKXUODAKC-UHFFFAOYSA-N 0 0 361.467 2.527 20 10 FFCDRN CN(C)c1cc(F)c(CNc2ccc(S(=O)(=O)N(C)C)cc2)cc1F ZINC000863984036 730818965 /nfs/dbraw/zinc/81/89/65/730818965.db2.gz BWTOCVWADYECCA-UHFFFAOYSA-N 0 0 369.437 2.893 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(OC(F)F)cc1F ZINC000865216169 730924708 /nfs/dbraw/zinc/92/47/08/730924708.db2.gz FGDFIBQCOYUVBW-GHXNOFRVSA-N 0 0 358.341 2.730 20 10 FFCDRN CCC(C)(C)NC(=S)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000865261281 730932158 /nfs/dbraw/zinc/93/21/58/730932158.db2.gz XOSMLTJEZSGMKC-UHFFFAOYSA-N 0 0 351.516 2.889 20 10 FFCDRN C[C@@H](NC(=S)NCCc1ccc2c(c1)OCCO2)c1ccccc1O ZINC000865269343 730933092 /nfs/dbraw/zinc/93/30/92/730933092.db2.gz JHBNEAVXMWZOSF-CYBMUJFWSA-N 0 0 358.463 2.931 20 10 FFCDRN Cc1ccc(S(N)(=O)=O)c(NCc2ccc(N3CCCC3)cc2)c1F ZINC000865442845 730955738 /nfs/dbraw/zinc/95/57/38/730955738.db2.gz NYXNLOGRSMEFAX-UHFFFAOYSA-N 0 0 363.458 2.994 20 10 FFCDRN CC[C@@H]([NH2+]CCCS(=O)(=O)NC)c1cc(Cl)cc(Cl)c1[O-] ZINC000866458902 731062814 /nfs/dbraw/zinc/06/28/14/731062814.db2.gz RRDQFBAVLXSQJR-GFCCVEGCSA-N 0 0 355.287 2.679 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@H]1CCSC1 ZINC000867529318 731196259 /nfs/dbraw/zinc/19/62/59/731196259.db2.gz GOLQEDYQQRRJBV-HNNXBMFYSA-N 0 0 364.511 2.780 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C1CSC1 ZINC000867833063 731231968 /nfs/dbraw/zinc/23/19/68/731231968.db2.gz VSKXCEUMRPFEIZ-UHFFFAOYSA-N 0 0 350.484 2.738 20 10 FFCDRN CCOC(=O)c1ccc(CS(=O)(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000867834737 731232198 /nfs/dbraw/zinc/23/21/98/731232198.db2.gz LNELOQMNQFGXJG-CYBMUJFWSA-N 0 0 363.435 2.750 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCNC3=O)cc2Cl)C1 ZINC000868064975 731255964 /nfs/dbraw/zinc/25/59/64/731255964.db2.gz IKWGEAIXSKNICA-ZFWWWQNUSA-N 0 0 363.889 2.719 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H](O)c3c[nH]cn3)cc2Cl)C1 ZINC000868066557 731255977 /nfs/dbraw/zinc/25/59/77/731255977.db2.gz YZXRSGNIEPYEEX-PXAZEXFGSA-N 0 0 362.861 2.649 20 10 FFCDRN CO[C@@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000868117427 731260739 /nfs/dbraw/zinc/26/07/39/731260739.db2.gz UFZBZZXAMCXGBN-MAUKXSAKSA-N 0 0 363.527 2.949 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3scnc3Cl)CC2)c(OC)c1 ZINC000870164171 731477829 /nfs/dbraw/zinc/47/78/29/731477829.db2.gz QNNVNGDKOIAGFL-UHFFFAOYSA-N 0 0 367.858 2.776 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCO[C@H](C(F)(F)F)CC2)cc1OC ZINC000872749151 731825909 /nfs/dbraw/zinc/82/59/09/731825909.db2.gz CNNCTRXNUSTTQG-ZDUSSCGKSA-N 0 0 350.293 2.770 20 10 FFCDRN COc1ccc2c(c1)N(S(=O)(=O)c1cccc3nsnc31)CCC2 ZINC000660031021 732041877 /nfs/dbraw/zinc/04/18/77/732041877.db2.gz QDUZLSBMKDOIGI-UHFFFAOYSA-N 0 0 361.448 2.841 20 10 FFCDRN C[C@H](CNC(=O)N1Cc2cccc(O)c2C1)N1CCc2sccc2C1 ZINC000875100834 732128134 /nfs/dbraw/zinc/12/81/34/732128134.db2.gz HJWSTUXYFAJIFE-CYBMUJFWSA-N 0 0 357.479 2.926 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N(C)OCC(F)(F)F)CC2)cc1 ZINC000875210100 732135442 /nfs/dbraw/zinc/13/54/42/732135442.db2.gz FBESMEXFURCOQR-UHFFFAOYSA-N 0 0 361.364 2.799 20 10 FFCDRN Cc1scc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1C ZINC000875284290 732140786 /nfs/dbraw/zinc/14/07/86/732140786.db2.gz HIBGWOAHVCOJNA-ZDUSSCGKSA-N 0 0 359.495 2.925 20 10 FFCDRN COc1ccc(CCNC(=O)NCCCSc2nccs2)cc1O ZINC000875376962 732149509 /nfs/dbraw/zinc/14/95/09/732149509.db2.gz UPBOOFXDLHSBBQ-UHFFFAOYSA-N 0 0 367.496 2.881 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)OCC(F)(F)F)C2)cc1 ZINC000875679733 732179923 /nfs/dbraw/zinc/17/99/23/732179923.db2.gz QWVFVNFLMPUHSV-LBPRGKRZSA-N 0 0 361.364 2.657 20 10 FFCDRN Cc1cccc(O)c1CN1CCN(C(=O)c2ccc([N+](=O)[O-])s2)CC1 ZINC000876616318 732262058 /nfs/dbraw/zinc/26/20/58/732262058.db2.gz WDJSTWZSBSNCHI-UHFFFAOYSA-N 0 0 361.423 2.628 20 10 FFCDRN COc1ccc(C[N@H+](CCO)Cc2ccc(F)c(F)c2[O-])c(OC)c1 ZINC000876731533 732273508 /nfs/dbraw/zinc/27/35/08/732273508.db2.gz RYDWOPFVNDUZSU-UHFFFAOYSA-N 0 0 353.365 2.682 20 10 FFCDRN Cc1ccc(C(=O)NCCOc2ncc(Cl)cc2Cl)c(O)c1O ZINC000780982023 738591991 /nfs/dbraw/zinc/59/19/91/738591991.db2.gz XYDLTFODNVSCTD-UHFFFAOYSA-N 0 0 357.193 2.917 20 10 FFCDRN CC[C@H](NC(=O)c1ccc(C)c(O)c1O)[C@@H](O)c1c(F)cccc1F ZINC000780983506 738592295 /nfs/dbraw/zinc/59/22/95/738592295.db2.gz HMIUDUBWGYNSKQ-SUMWQHHRSA-N 0 0 351.349 2.926 20 10 FFCDRN O=C(NCC[C@H]1CC[C@H](C(F)(F)F)O1)NCc1c(O)cccc1F ZINC000926298029 738594575 /nfs/dbraw/zinc/59/45/75/738594575.db2.gz KUTYMCWTDSOJKY-NOZJJQNGSA-N 0 0 350.312 2.831 20 10 FFCDRN COc1cccc(CNC(=O)NCC[C@H]2CC[C@H](C(F)(F)F)O2)c1O ZINC000926312973 738598775 /nfs/dbraw/zinc/59/87/75/738598775.db2.gz LXFHAQFYDJEHFN-DGCLKSJQSA-N 0 0 362.348 2.700 20 10 FFCDRN O=C(NCC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1)C(F)(F)F ZINC000877495698 732373248 /nfs/dbraw/zinc/37/32/48/732373248.db2.gz DTIKTWVPGQXOTP-UHFFFAOYSA-N 0 0 352.303 2.561 20 10 FFCDRN C[C@@]1(C(F)(F)F)CN(Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877715893 732418723 /nfs/dbraw/zinc/41/87/23/732418723.db2.gz LPFFTBSDRWZYEH-KRWDZBQOSA-N 0 0 358.404 2.801 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1csc(C(N)=O)c1 ZINC000879743079 732759684 /nfs/dbraw/zinc/75/96/84/732759684.db2.gz QDISNPMCLAMVQE-LBPRGKRZSA-N 0 0 360.483 2.974 20 10 FFCDRN COC(=O)[C@H](Cc1cncs1)NCc1cc(Cl)cc(C(C)=O)c1O ZINC000879993618 732815498 /nfs/dbraw/zinc/81/54/98/732815498.db2.gz YVYNBIRQPPEAPR-AWEZNQCLSA-N 0 0 368.842 2.579 20 10 FFCDRN Cc1cc(Br)c(O)c(CN(CCS(C)(=O)=O)C(C)C)c1 ZINC000781908635 738670558 /nfs/dbraw/zinc/67/05/58/738670558.db2.gz KQHSFCALUAOCTH-UHFFFAOYSA-N 0 0 364.305 2.718 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCC[C@@H]1CCCS1(=O)=O ZINC000881893877 733129842 /nfs/dbraw/zinc/12/98/42/733129842.db2.gz VRBHRHUFFMLHTG-AWEZNQCLSA-N 0 0 366.508 2.853 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCOC[C@@H]1CCCO1 ZINC000882880732 733306735 /nfs/dbraw/zinc/30/67/35/733306735.db2.gz GKHZZMIJJARKEL-ZDUSSCGKSA-N 0 0 362.239 2.969 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000882936274 733312213 /nfs/dbraw/zinc/31/22/13/733312213.db2.gz QDNGZSAKAITMLR-JTQLQIEISA-N 0 0 356.394 2.893 20 10 FFCDRN CC(=O)N1CCC(C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000882987026 733318516 /nfs/dbraw/zinc/31/85/16/733318516.db2.gz QWCAKCOEUMCLCK-UHFFFAOYSA-N 0 0 359.239 2.642 20 10 FFCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@@H]1CCOC1 ZINC000883164362 733345161 /nfs/dbraw/zinc/34/51/61/733345161.db2.gz CJQPTWPBYYMVEW-RNCFNFMXSA-N 0 0 364.667 2.949 20 10 FFCDRN C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Br)cc(F)c1[O-] ZINC000883374967 733376583 /nfs/dbraw/zinc/37/65/83/733376583.db2.gz YCQXYKKUJMSJAZ-HGNGGELXSA-N 0 0 366.252 2.520 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2nnc(SC)s2)c1 ZINC000782652111 738743676 /nfs/dbraw/zinc/74/36/76/738743676.db2.gz FJFHIHWTVFQBGJ-MRVPVSSYSA-N 0 0 354.457 2.535 20 10 FFCDRN CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2O)C1 ZINC000890757289 734336392 /nfs/dbraw/zinc/33/63/92/734336392.db2.gz BEMQKYAGDZERDP-TZMCWYRMSA-N 0 0 352.862 2.947 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)CCCc2nccs2)[NH+](C)C)cc1 ZINC000891249700 734404570 /nfs/dbraw/zinc/40/45/70/734404570.db2.gz SDYNIIFNZROCSC-KRWDZBQOSA-N 0 0 360.527 2.951 20 10 FFCDRN CCCN(CCC)S(=O)(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726602622 734436753 /nfs/dbraw/zinc/43/67/53/734436753.db2.gz YQUUIBSUJCFYET-UHFFFAOYSA-N 0 0 369.531 2.620 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000891979972 734503113 /nfs/dbraw/zinc/50/31/13/734503113.db2.gz YIVSDSZBZMYNJC-SNVBAGLBSA-N 0 0 365.783 2.729 20 10 FFCDRN CCC(=O)N1CSC[C@@H]1C(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000727985721 734510368 /nfs/dbraw/zinc/51/03/68/734510368.db2.gz IAHQMPFSRNYOQX-QGZVFWFLSA-N 0 0 363.527 2.803 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc3c(c2)NC(=O)CS3)c1 ZINC000728980313 734552925 /nfs/dbraw/zinc/55/29/25/734552925.db2.gz ATTSGXQVCZOTDO-SNVBAGLBSA-N 0 0 358.419 2.936 20 10 FFCDRN Cc1nnc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000892620778 734581520 /nfs/dbraw/zinc/58/15/20/734581520.db2.gz CUZLPYKJOIWZSD-TXEJJXNPSA-N 0 0 350.463 2.889 20 10 FFCDRN C[C@H]1Cc2cc(S(=O)(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2O1 ZINC000730017275 734609997 /nfs/dbraw/zinc/60/99/97/734609997.db2.gz MJKBNJIANNBLLL-AWEZNQCLSA-N 0 0 360.479 2.897 20 10 FFCDRN COc1cc(N(C)Cc2nc(Br)c[nH]2)cc(OC)c1OC ZINC000893461860 734704626 /nfs/dbraw/zinc/70/46/26/734704626.db2.gz QBHWCDQTRXDGCD-UHFFFAOYSA-N 0 0 356.220 2.834 20 10 FFCDRN COc1ccc(OC)c(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)c1 ZINC000731910847 734704949 /nfs/dbraw/zinc/70/49/49/734704949.db2.gz DXOJLJLYWYZFMD-VIFPVBQESA-N 0 0 351.380 2.655 20 10 FFCDRN CS(=O)(=O)c1ccccc1NNC(=S)Nc1ccc(F)cc1F ZINC000731948334 734708897 /nfs/dbraw/zinc/70/88/97/734708897.db2.gz AXBJHPYLYHKGGL-UHFFFAOYSA-N 0 0 357.407 2.682 20 10 FFCDRN CN(C(=O)C1=CC(=O)CS1)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000732293797 734731478 /nfs/dbraw/zinc/73/14/78/734731478.db2.gz QZGALTBTBUEYAF-ZDUSSCGKSA-N 0 0 350.827 2.985 20 10 FFCDRN COc1ccc([C@H](NC(=O)COC(=O)C2=CC(=O)CS2)C2CC2)cc1 ZINC000732352943 734736557 /nfs/dbraw/zinc/73/65/57/734736557.db2.gz IOHURYDBBRQHTI-QGZVFWFLSA-N 0 0 361.419 2.887 20 10 FFCDRN Cc1ccccc1Nc1nc(N)nc(COC(=O)C2=CC(=O)CS2)n1 ZINC000732354441 734736946 /nfs/dbraw/zinc/73/69/46/734736946.db2.gz MGAJRTRMZVXJPZ-UHFFFAOYSA-N 0 0 357.395 2.630 20 10 FFCDRN CCc1nn(C)c(CC)c1CNC(=O)NCc1cccc(Cl)c1O ZINC000893835721 734759330 /nfs/dbraw/zinc/75/93/30/734759330.db2.gz BECYJQHYBUYOMZ-UHFFFAOYSA-N 0 0 350.850 2.903 20 10 FFCDRN C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000893977247 734781180 /nfs/dbraw/zinc/78/11/80/734781180.db2.gz CQZODCCBVLCWBK-SNVBAGLBSA-N 0 0 356.394 2.511 20 10 FFCDRN NC(=O)C[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894077111 734797574 /nfs/dbraw/zinc/79/75/74/734797574.db2.gz WXUAKBNXLOKYLX-SECBINFHSA-N 0 0 361.667 2.896 20 10 FFCDRN COc1ccc(NCc2cc(C)cc(OC)c2O)cc1NS(C)(=O)=O ZINC000894117371 734804536 /nfs/dbraw/zinc/80/45/36/734804536.db2.gz NYIJHLSJMRJRIM-UHFFFAOYSA-N 0 0 366.439 2.701 20 10 FFCDRN Cc1ccc(C(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1O ZINC000733475971 734824667 /nfs/dbraw/zinc/82/46/67/734824667.db2.gz IGBMBEHBPABYAQ-GFCCVEGCSA-N 0 0 351.399 2.963 20 10 FFCDRN O=C(CCn1cnc2ccccc2c1=O)NCCCSc1nccs1 ZINC000733883795 734856222 /nfs/dbraw/zinc/85/62/22/734856222.db2.gz BXMURPYPDPSKSB-UHFFFAOYSA-N 0 0 374.491 2.542 20 10 FFCDRN COc1ccc(CN[C@H](C)c2noc(COC(C)C)n2)c(O)c1OC ZINC000894556232 734879110 /nfs/dbraw/zinc/87/91/10/734879110.db2.gz BZPGGJZMYYHECC-LLVKDONJSA-N 0 0 351.403 2.568 20 10 FFCDRN CC(C)[N@@H+](Cc1cc(Br)cc(F)c1[O-])C[C@H]1CCC(=O)N1 ZINC000895014993 734952580 /nfs/dbraw/zinc/95/25/80/734952580.db2.gz QWYOVRYXZMTECU-GFCCVEGCSA-N 0 0 359.239 2.783 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@H](C(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000739757226 735058624 /nfs/dbraw/zinc/05/86/24/735058624.db2.gz CKXYKOIAEPRHDW-CQSZACIVSA-N 0 0 353.344 2.892 20 10 FFCDRN CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(F)c(N(C)C)cc1F ZINC000895867369 735067439 /nfs/dbraw/zinc/06/74/39/735067439.db2.gz WQTOVHSEVWHSHZ-BBRMVZONSA-N 0 0 356.413 2.621 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1cncs1 ZINC000895878773 735068712 /nfs/dbraw/zinc/06/87/12/735068712.db2.gz QEWYLPLHLYBOLH-CYBMUJFWSA-N 0 0 360.483 2.665 20 10 FFCDRN O=S(=O)(C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1)N1CCCCC1 ZINC000897273403 735214109 /nfs/dbraw/zinc/21/41/09/735214109.db2.gz QHKVJZXTMXNNIG-UHFFFAOYSA-N 0 0 372.918 2.826 20 10 FFCDRN COCc1nc(CNCc2ccc(N3CCOCC3)c(F)c2)cs1 ZINC000742367203 735234136 /nfs/dbraw/zinc/23/41/36/735234136.db2.gz KHMLQLOZUKUWRT-UHFFFAOYSA-N 0 0 351.447 2.555 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CCCSC1 ZINC000748962830 735685394 /nfs/dbraw/zinc/68/53/94/735685394.db2.gz WVNQVBHOVCPYIH-OAHLLOKOSA-N 0 0 351.541 2.935 20 10 FFCDRN COc1cc(C)c(S(=O)(=O)NCc2cccc(OC)c2O)c(C)c1 ZINC000751309503 735862945 /nfs/dbraw/zinc/86/29/45/735862945.db2.gz MWAWHKRWZUWWBG-UHFFFAOYSA-N 0 0 351.424 2.505 20 10 FFCDRN CC(C)CCS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000751373437 735867457 /nfs/dbraw/zinc/86/74/57/735867457.db2.gz SNKLKWDPBHCUCS-MRXNPFEDSA-N 0 0 374.934 2.976 20 10 FFCDRN CCOc1ccc(S(=O)(=O)NCc2cc(OC)ccc2O)c(C)c1 ZINC000751414764 735871846 /nfs/dbraw/zinc/87/18/46/735871846.db2.gz DWZMIFCLUNAMAF-UHFFFAOYSA-N 0 0 351.424 2.586 20 10 FFCDRN CC(C)O[C@]1(CS(=O)(=O)Nc2cc(F)c(O)cc2Cl)CCOC1 ZINC000901962389 735879592 /nfs/dbraw/zinc/87/95/92/735879592.db2.gz GQKDRXKIEABDDT-CQSZACIVSA-N 0 0 367.826 2.511 20 10 FFCDRN O=S(=O)(CCOCC(F)(F)F)Nc1cc(F)c(O)cc1Cl ZINC000901962579 735879786 /nfs/dbraw/zinc/87/97/86/735879786.db2.gz HZKFYLOHNYBNQN-UHFFFAOYSA-N 0 0 351.705 2.505 20 10 FFCDRN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(F)c(O)cc1Cl ZINC000901963575 735880174 /nfs/dbraw/zinc/88/01/74/735880174.db2.gz VCAHXXHQFJERKG-UHFFFAOYSA-N 0 0 361.826 2.844 20 10 FFCDRN O=C1N(CN2CCCc3cc(OC(F)F)ccc32)C[C@]12CCCOC2 ZINC000902206258 735917964 /nfs/dbraw/zinc/91/79/64/735917964.db2.gz KYHBYVANZUWYCO-SFHVURJKSA-N 0 0 352.381 2.637 20 10 FFCDRN CC(C)[C@@H](C)NC(=O)COC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751932901 735936994 /nfs/dbraw/zinc/93/69/94/735936994.db2.gz ZFQTYYMMPOZZJP-GFCCVEGCSA-N 0 0 361.467 2.634 20 10 FFCDRN CCCCNC(=O)[C@@H](C)OC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000751931611 735937276 /nfs/dbraw/zinc/93/72/76/735937276.db2.gz RLDSIQUDWOPREW-GFCCVEGCSA-N 0 0 361.467 2.778 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1c(F)cccc1Br ZINC000752727546 736007908 /nfs/dbraw/zinc/00/79/08/736007908.db2.gz XTZLKEXGPTXXMN-UHFFFAOYSA-N 0 0 367.174 2.549 20 10 FFCDRN C[C@]1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CCOC1 ZINC000754247274 736140118 /nfs/dbraw/zinc/14/01/18/736140118.db2.gz VGOUZLJWHIDAJC-SFHVURJKSA-N 0 0 354.397 2.800 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1cc(F)cc(F)c1[O-] ZINC000756393680 736327199 /nfs/dbraw/zinc/32/71/99/736327199.db2.gz SFRNYUDLHKKVPR-LLVKDONJSA-N 0 0 370.421 2.772 20 10 FFCDRN C[C@H]([NH2+]Cc1nnc2n1CCC2)c1cc(Br)cc(F)c1[O-] ZINC000756391250 736327269 /nfs/dbraw/zinc/32/72/69/736327269.db2.gz LDLQHDIWEQPTBH-QMMMGPOBSA-N 0 0 355.211 2.682 20 10 FFCDRN C[C@H](NCc1nnnn1-c1ccccc1)c1ccc(Br)cc1O ZINC000756491337 736336121 /nfs/dbraw/zinc/33/61/21/736336121.db2.gz UXRYRSZFSOWZQM-NSHDSACASA-N 0 0 374.242 2.981 20 10 FFCDRN Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])CC2 ZINC000756535615 736339605 /nfs/dbraw/zinc/33/96/05/736339605.db2.gz NLGQAOVITJJGEF-WCBMZHEXSA-N 0 0 369.238 2.859 20 10 FFCDRN CN(CC(=O)NCCOc1cccc(Cl)c1)c1ccc2c(c1)OCO2 ZINC000756647323 736349422 /nfs/dbraw/zinc/34/94/22/736349422.db2.gz ZYDQDHHZDVEKEX-UHFFFAOYSA-N 0 0 362.813 2.700 20 10 FFCDRN C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756738493 736356979 /nfs/dbraw/zinc/35/69/79/736356979.db2.gz QFSOMTNTRXHAMD-VFZGTOFNSA-N 0 0 362.239 2.732 20 10 FFCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(Br)cc(F)c1[O-] ZINC000756761759 736359590 /nfs/dbraw/zinc/35/95/90/736359590.db2.gz VCSHDKDPICMFNM-BHDSKKPTSA-N 0 0 361.255 2.664 20 10 FFCDRN C[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(Cl)c1[O-])S(C)(=O)=O ZINC000756768357 736360101 /nfs/dbraw/zinc/36/01/01/736360101.db2.gz DBWUXZMTLQSQQI-SFYZADRCSA-N 0 0 370.696 2.892 20 10 FFCDRN S=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCCO1 ZINC000758199578 736462281 /nfs/dbraw/zinc/46/22/81/736462281.db2.gz YRYROSOEBHYQJS-KRWDZBQOSA-N 0 0 365.568 2.773 20 10 FFCDRN C[C@@H](NC(=S)NC[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000758210166 736462866 /nfs/dbraw/zinc/46/28/66/736462866.db2.gz QNXNHKHVGBSAQO-CRAIPNDOSA-N 0 0 363.527 2.617 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc2O1 ZINC000758252839 736469182 /nfs/dbraw/zinc/46/91/82/736469182.db2.gz URRQPQYHHZVIGD-HEWZJLJBSA-N 0 0 358.781 2.715 20 10 FFCDRN COC(=O)[C@@H](OC(=O)c1cccc(O)c1O)c1c(F)cccc1Cl ZINC000758572322 736502455 /nfs/dbraw/zinc/50/24/55/736502455.db2.gz KLRRKMZUHNBUDG-AWEZNQCLSA-N 0 0 354.717 2.961 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)C1CCC(=O)CC1 ZINC000906854184 736551742 /nfs/dbraw/zinc/55/17/42/736551742.db2.gz MIJKAHHNGUVGHC-UHFFFAOYSA-N 0 0 352.500 2.805 20 10 FFCDRN Cn1ncc2c1CCC[C@H]2NC(=O)NCCCSc1nccs1 ZINC000759565399 736577388 /nfs/dbraw/zinc/57/73/88/736577388.db2.gz YBZQTYUHPTVIEI-GFCCVEGCSA-N 0 0 351.501 2.736 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c1 ZINC000907062018 736578055 /nfs/dbraw/zinc/57/80/55/736578055.db2.gz ZZUONOJIIBCRSR-RDDDGLTNSA-N 0 0 356.633 2.699 20 10 FFCDRN Cc1nc(NC(=O)[C@H](C)OC(=O)/C=C\c2ccc(O)c(O)c2)sc1C ZINC000759593364 736579510 /nfs/dbraw/zinc/57/95/10/736579510.db2.gz NRODDOQPWKPIFB-BXKUYDPTSA-N 0 0 362.407 2.755 20 10 FFCDRN COc1coc(COC(=O)c2sc3nc(C)cc(C)c3c2N)cc1=O ZINC000761048843 736690669 /nfs/dbraw/zinc/69/06/69/736690669.db2.gz TZKCXHQKRDAQFI-UHFFFAOYSA-N 0 0 360.391 2.814 20 10 FFCDRN COc1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1O ZINC000761198102 736706140 /nfs/dbraw/zinc/70/61/40/736706140.db2.gz 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CS[C@H](C)CCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837709270 746503546 /nfs/dbraw/zinc/50/35/46/746503546.db2.gz PZLXWLUYXXAOQL-GFCCVEGCSA-N 0 0 358.454 2.949 20 10 FFCDRN C[C@H](C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccco1 ZINC000837709668 746503776 /nfs/dbraw/zinc/50/37/76/746503776.db2.gz MVDNXTCCPVNDKF-LBPRGKRZSA-N 0 0 350.365 2.814 20 10 FFCDRN CCC(C)(C)OCC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837712212 746504393 /nfs/dbraw/zinc/50/43/93/746504393.db2.gz PYJOBVJSZNBMFO-UHFFFAOYSA-N 0 0 356.413 2.623 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@H](O)Cc1cccc(F)c1 ZINC000838517532 746656410 /nfs/dbraw/zinc/65/64/10/746656410.db2.gz WUSNHNXJJOFQDC-CQSZACIVSA-N 0 0 369.487 2.667 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000838515575 746656502 /nfs/dbraw/zinc/65/65/02/746656502.db2.gz XNENWUMVESWTSF-UWVGGRQHSA-N 0 0 369.434 2.580 20 10 FFCDRN C[C@H]1CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)[C@H]1C ZINC000838746967 746705515 /nfs/dbraw/zinc/70/55/15/746705515.db2.gz 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COc1ccccc1S(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841568553 747405273 /nfs/dbraw/zinc/40/52/73/747405273.db2.gz BQLHPXVCGYJPFY-HNNXBMFYSA-N 0 0 362.495 2.979 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)c1cn(C(C)C)cn1 ZINC000841570668 747407311 /nfs/dbraw/zinc/40/73/11/747407311.db2.gz TUYKSWUXCOAAAW-HNNXBMFYSA-N 0 0 364.515 2.748 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc(C)n(CC(F)(F)F)n2)c1O ZINC000841808431 747467708 /nfs/dbraw/zinc/46/77/08/747467708.db2.gz LLZYGLLFGFOPDG-UHFFFAOYSA-N 0 0 358.320 2.790 20 10 FFCDRN CC(C)(C)OC(=O)NCC1(O)CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000841895176 747483992 /nfs/dbraw/zinc/48/39/92/747483992.db2.gz WAGSRKPTFCUEET-UHFFFAOYSA-N 0 0 370.877 2.897 20 10 FFCDRN Nc1ccc(CCNC(=O)NCCc2cccc(C(F)(F)F)n2)cc1 ZINC000841910850 747485718 /nfs/dbraw/zinc/48/57/18/747485718.db2.gz UBWVWRDBLOIMTI-UHFFFAOYSA-N 0 0 352.360 2.767 20 10 FFCDRN C[C@H](c1ccsc1)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000841960621 747492967 /nfs/dbraw/zinc/49/29/67/747492967.db2.gz UOFAEHPLWZVTCG-OAHLLOKOSA-N 0 0 358.511 2.961 20 10 FFCDRN CCOc1cccc(CNc2ccc(F)c(S(=O)(=O)N(C)C)c2)c1O ZINC000842217086 747549991 /nfs/dbraw/zinc/54/99/91/747549991.db2.gz IRAWCYPOEPUKMX-UHFFFAOYSA-N 0 0 368.430 2.792 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)N[C@@](CC)(COC)C2=O)cc1F ZINC000842240254 747553585 /nfs/dbraw/zinc/55/35/85/747553585.db2.gz PFYBKFPIUAAJER-SFHVURJKSA-N 0 0 351.422 2.519 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)Cc3cn(C)nc3Cl)C2)cc1 ZINC000842874251 747711560 /nfs/dbraw/zinc/71/15/60/747711560.db2.gz MBSZMSBOTWZQEF-ZDUSSCGKSA-N 0 0 363.845 2.694 20 10 FFCDRN CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000842912359 747719074 /nfs/dbraw/zinc/71/90/74/747719074.db2.gz RNQYOAKYZZKTSO-NZXMKCKXSA-N 0 0 350.640 2.873 20 10 FFCDRN C[C@H](C[NH3+])N(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000843052213 747756748 /nfs/dbraw/zinc/75/67/48/747756748.db2.gz PLCUPTHLLQOOPJ-SSDOTTSWSA-N 0 0 352.070 2.696 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)c(O)c1O ZINC000843935407 747936520 /nfs/dbraw/zinc/93/65/20/747936520.db2.gz NBKUJDWTGJGSNC-NWDGAFQWSA-N 0 0 352.431 2.828 20 10 FFCDRN C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)c1c(F)ccc(O)c1O ZINC000844145683 747978477 /nfs/dbraw/zinc/97/84/77/747978477.db2.gz CDSOJWKKXWULAP-ZJUUUORDSA-N 0 0 356.394 2.659 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1C[C@H]1C1CCC1 ZINC000844563695 748051919 /nfs/dbraw/zinc/05/19/19/748051919.db2.gz SNZYYPPQMFXRQW-LSDHHAIUSA-N 0 0 350.409 2.854 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cnn(C(F)F)c2)cc1 ZINC000844603451 748058932 /nfs/dbraw/zinc/05/89/32/748058932.db2.gz ATGAKJLJTOZOCR-UHFFFAOYSA-N 0 0 353.373 2.887 20 10 FFCDRN Cn1nc([C@@H]2CCCO2)cc1NC(=O)NCc1cc(Cl)ccc1O ZINC000844649166 748064888 /nfs/dbraw/zinc/06/48/88/748064888.db2.gz DYYANVUBYBKKCX-AWEZNQCLSA-N 0 0 350.806 2.952 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000845066210 748172359 /nfs/dbraw/zinc/17/23/59/748172359.db2.gz VHXWWBVPJCFRNS-CZUORRHYSA-N 0 0 356.875 2.900 20 10 FFCDRN CSc1cccnc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000845117801 748183551 /nfs/dbraw/zinc/18/35/51/748183551.db2.gz XJNXIEKJMGIZPE-UHFFFAOYSA-N 0 0 357.479 2.912 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H]2CCCSC2)cc1 ZINC000845199878 748203582 /nfs/dbraw/zinc/20/35/82/748203582.db2.gz WGGHNQKTDIRWTP-HNNXBMFYSA-N 0 0 351.516 2.916 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N3CCCC(F)(F)C3)C2)cc1 ZINC000845269269 748215854 /nfs/dbraw/zinc/21/58/54/748215854.db2.gz RIRXQRAQKDYSHB-CQSZACIVSA-N 0 0 353.413 2.962 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)CC2(COC)CCC2)cc1F ZINC000845855097 748337742 /nfs/dbraw/zinc/33/77/42/748337742.db2.gz VRKCRBBMYIPJHL-UHFFFAOYSA-N 0 0 372.506 2.908 20 10 FFCDRN CNS(=O)(=O)c1cc(NCc2ccc(N(C)C)cc2C)ccc1F ZINC000845994854 748378397 /nfs/dbraw/zinc/37/83/97/748378397.db2.gz WJSLBOAKNHQVSG-UHFFFAOYSA-N 0 0 351.447 2.720 20 10 FFCDRN CCOc1ccc(CN[C@H](C(=O)OC)[C@H]2CCC[C@H](OC)C2)c(O)c1 ZINC000846107560 748408791 /nfs/dbraw/zinc/40/87/91/748408791.db2.gz JLUYQLLGAHXHNM-YEWWUXTCSA-N 0 0 351.443 2.627 20 10 FFCDRN COC(=O)[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[C@H](OC)C1 ZINC000846109119 748409157 /nfs/dbraw/zinc/40/91/57/748409157.db2.gz SGMSBNLKPYQGQW-RVKKMQEKSA-N 0 0 352.450 2.728 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)C(=O)Nc1scnc1C1CC1 ZINC000846122537 748411740 /nfs/dbraw/zinc/41/17/40/748411740.db2.gz WDMRPWQPEJUXGT-UHFFFAOYSA-N 0 0 351.815 2.634 20 10 FFCDRN CC[C@H](C)[C@@H](NC(=O)C(=O)NCc1cc(Cl)ccc1O)C(F)(F)F ZINC000846123245 748411792 /nfs/dbraw/zinc/41/17/92/748411792.db2.gz VJMNNMGKWLYVLX-QPUJVOFHSA-N 0 0 366.767 2.755 20 10 FFCDRN CC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC000846186929 748426383 /nfs/dbraw/zinc/42/63/83/748426383.db2.gz HPFQZAANFKXHCF-MFKMUULPSA-N 0 0 367.298 2.774 20 10 FFCDRN COC[C@@H]1C[C@@H](O)CN1C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000846434363 748478593 /nfs/dbraw/zinc/47/85/93/748478593.db2.gz MGRVTNDNLCVCDY-DLBZAZTESA-N 0 0 362.857 2.969 20 10 FFCDRN CC(=O)N[C@H](CC(=O)NCc1cc(Cl)ccc1O)c1cccs1 ZINC000846479314 748489732 /nfs/dbraw/zinc/48/97/32/748489732.db2.gz KGICYWXRWRSDDF-CYBMUJFWSA-N 0 0 352.843 2.991 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCO[C@H]2CCN(Cc3ccccc3)C[C@H]21 ZINC000846659339 748521111 /nfs/dbraw/zinc/52/11/11/748521111.db2.gz RQNCOCOHELSQGD-SJORKVTESA-N 0 0 358.463 2.569 20 10 FFCDRN C[C@H](NC(=O)N1CC2(CC2(F)F)C1)c1ccc(N2CCOCC2)cc1 ZINC000847299215 748671862 /nfs/dbraw/zinc/67/18/62/748671862.db2.gz WZBJWCXVMNNGME-ZDUSSCGKSA-N 0 0 351.397 2.635 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(F)c1OC(F)F ZINC000849244276 749076956 /nfs/dbraw/zinc/07/69/56/749076956.db2.gz XLMWLXCJBVDHDG-DHZHZOJOSA-N 0 0 358.341 2.730 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=S)NCCc3ccccc3)C2)cc1 ZINC000849271343 749082489 /nfs/dbraw/zinc/08/24/89/749082489.db2.gz HMKSGFLFNMDFCM-QGZVFWFLSA-N 0 0 355.507 2.981 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1ccc(C(F)F)nc1 ZINC000850390457 749358294 /nfs/dbraw/zinc/35/82/94/749358294.db2.gz HXAHCDLYGMZBRG-UHFFFAOYSA-N 0 0 372.422 2.713 20 10 FFCDRN CC(C)(C)N1C[C@H](C[NH2+]Cc2cccc(Br)c2[O-])CC1=O ZINC000850395629 749359036 /nfs/dbraw/zinc/35/90/36/749359036.db2.gz BKRATTCNPVHWKX-NSHDSACASA-N 0 0 355.276 2.891 20 10 FFCDRN COC[C@H](CC[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-])OC ZINC000850485639 749372395 /nfs/dbraw/zinc/37/23/95/749372395.db2.gz MFHNZLGRYBWHFF-ZJUUUORDSA-N 0 0 350.228 2.996 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc(Cl)cn3)C2)cc1 ZINC000852238825 749811529 /nfs/dbraw/zinc/81/15/29/749811529.db2.gz FNJBAFBFCXKBPF-OAHLLOKOSA-N 0 0 360.845 2.822 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@H](C)c3nccs3)C2)cc1 ZINC000852252491 749815708 /nfs/dbraw/zinc/81/57/08/749815708.db2.gz IUIJZZIKNIDTCN-KBPBESRZSA-N 0 0 360.483 2.833 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@H]1CCCCS1 ZINC000852284375 749824174 /nfs/dbraw/zinc/82/41/74/749824174.db2.gz JQLPFZAEMKZGGW-GOSISDBHSA-N 0 0 363.527 2.733 20 10 FFCDRN CC(C)SCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852337837 749838542 /nfs/dbraw/zinc/83/85/42/749838542.db2.gz DPINLIJRJIZYTP-UHFFFAOYSA-N 0 0 351.516 2.589 20 10 FFCDRN CC[C@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CC1 ZINC000852379000 749848807 /nfs/dbraw/zinc/84/88/07/749848807.db2.gz JVULHWOMEOBTTP-INIZCTEOSA-N 0 0 353.413 2.789 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@@]4(CC4(F)F)C3)C2)cc1 ZINC000852447859 749860819 /nfs/dbraw/zinc/86/08/19/749860819.db2.gz FWOBHUHQJLMVKW-SUMWQHHRSA-N 0 0 351.397 2.715 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CC[C@]4(CC4(F)F)C3)C2)cc1 ZINC000852447857 749861036 /nfs/dbraw/zinc/86/10/36/749861036.db2.gz FWOBHUHQJLMVKW-DYVFJYSZSA-N 0 0 351.397 2.715 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCC(F)(F)[C@H](C)C3)C2)cc1 ZINC000852449020 749861601 /nfs/dbraw/zinc/86/16/01/749861601.db2.gz POTFFBSYLPXHDT-ZIAGYGMSSA-N 0 0 353.413 2.961 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)c3cscn3)CC2)cc1F ZINC000852515086 749880718 /nfs/dbraw/zinc/88/07/18/749880718.db2.gz ORJFHLWZOJGGQE-LBPRGKRZSA-N 0 0 364.446 2.884 20 10 FFCDRN CCOC(=O)c1cnc(Sc2nnc(NC[C@H]3CCCO3)s2)s1 ZINC000853096623 750008014 /nfs/dbraw/zinc/00/80/14/750008014.db2.gz IEFLAGVOOBYWRG-MRVPVSSYSA-N 0 0 372.497 2.913 20 10 FFCDRN C[NH2+]C[C@H](C)NCc1cc(Br)cc(Br)c1[O-] ZINC000853249326 750037907 /nfs/dbraw/zinc/03/79/07/750037907.db2.gz PNGPIROLVHPRKH-ZETCQYMHSA-N 0 0 352.070 2.615 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)NC/C=C/CO)cc2Cl)C1 ZINC000854039249 750229919 /nfs/dbraw/zinc/22/99/19/750229919.db2.gz KVBCILZSZFLRKT-BAABZTOOSA-N 0 0 351.878 2.924 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000053915976 845289808 /nfs/dbraw/zinc/28/98/08/845289808.db2.gz FGMYNNMSVZZZDV-UHFFFAOYSA-N 0 0 373.352 2.958 20 10 FFCDRN CN(Cc1cc(Br)cn1C)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000588404953 845957911 /nfs/dbraw/zinc/95/79/11/845957911.db2.gz XLZCISZHUBNKIM-XQRVVYSFSA-N 0 0 365.227 2.871 20 10 FFCDRN NC(=O)c1ccc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cc1 ZINC001174051471 1013046007 /nfs/dbraw/zinc/04/60/07/1013046007.db2.gz RKAHFTBLIHKWBW-UHFFFAOYSA-N 0 0 357.369 2.887 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC3CC4(C3)COC(C)(C)C4)C2)cc1 ZINC000895650363 970805827 /nfs/dbraw/zinc/80/58/27/970805827.db2.gz JBQQVNXKQRTHPT-FQWCMUAHSA-N 0 0 373.497 2.921 20 10 FFCDRN COc1cc(O)c(CNc2cccc([C@@]3(C)COC(=O)N3)c2)cc1OC ZINC000895640684 970811154 /nfs/dbraw/zinc/81/11/54/970811154.db2.gz QOSCJNKYCYILNB-LJQANCHMSA-N 0 0 358.394 2.977 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCC[C@@H]3CCCC[C@@H]3O)C2)cc1 ZINC000895651480 970822646 /nfs/dbraw/zinc/82/26/46/970822646.db2.gz ZNOWNKIDHBFNCZ-BXWFABGCSA-N 0 0 361.486 2.514 20 10 FFCDRN CC1(C)CO[C@@H](CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C1 ZINC000895786855 970950547 /nfs/dbraw/zinc/95/05/47/970950547.db2.gz DXBLBAVRWKAPLV-INIZCTEOSA-N 0 0 364.461 2.608 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCCCc1cnn(C)c1 ZINC000840284684 970971148 /nfs/dbraw/zinc/97/11/48/970971148.db2.gz MYCZLRLMRVZMEQ-MRXNPFEDSA-N 0 0 357.502 2.658 20 10 FFCDRN COc1ccc(NC(C)=O)cc1NC(=O)NCc1cccc(OC)c1O ZINC000729548795 971032480 /nfs/dbraw/zinc/03/24/80/971032480.db2.gz CPJMUSAASHKCFE-UHFFFAOYSA-N 0 0 359.382 2.690 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCc2nn(C)c3ccccc23)cc1F ZINC000185563675 971295906 /nfs/dbraw/zinc/29/59/06/971295906.db2.gz UNVLPUNIAJARRE-UHFFFAOYSA-N 0 0 369.444 2.820 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)[C@H]2CC[C@@H](C(N)=O)C2)cc1 ZINC001125893644 971304707 /nfs/dbraw/zinc/30/47/07/971304707.db2.gz SRHBCQOGEBBLIZ-KGLIPLIRSA-N 0 0 371.403 2.545 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000186075960 971336680 /nfs/dbraw/zinc/33/66/80/971336680.db2.gz JSDQAZCPAJFLFD-GDBMZVCRSA-N 0 0 358.413 2.862 20 10 FFCDRN CC(=O)N1CC[C@@H](CN(C)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840479022 971355529 /nfs/dbraw/zinc/35/55/29/971355529.db2.gz FDPWPVOWGYRWQH-AEFFLSMTSA-N 0 0 374.529 2.502 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CC3(CCCC3)OC(C)(C)C2)cc1 ZINC000190973357 971621443 /nfs/dbraw/zinc/62/14/43/971621443.db2.gz RRFKWZUNUHFSCK-UHFFFAOYSA-N 0 0 359.514 2.792 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCCc2ccc3c(c2)OCCO3)cc1 ZINC000053519643 971676075 /nfs/dbraw/zinc/67/60/75/971676075.db2.gz UIAKBRONKVXCND-UHFFFAOYSA-N 0 0 369.465 2.908 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3cccc(C)c3)CC2)cc1 ZINC000123469696 971719243 /nfs/dbraw/zinc/71/92/43/971719243.db2.gz RFPCZNVCCOWHCU-UHFFFAOYSA-N 0 0 367.449 2.681 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000053661783 971818077 /nfs/dbraw/zinc/81/80/77/971818077.db2.gz QNBASDINCGAHOA-KRWDZBQOSA-N 0 0 357.498 2.892 20 10 FFCDRN COc1cccc(C(=O)NCc2ccc3c(c2)CCCN3C)c1[N+](=O)[O-] ZINC000194181933 971846074 /nfs/dbraw/zinc/84/60/74/971846074.db2.gz UAHAJCYDCWNKNS-UHFFFAOYSA-N 0 0 355.394 2.916 20 10 FFCDRN O=C1C(=Cc2ccc(N3CCOCC3)cc2)NC(=S)N1C1CCCCC1 ZINC000003662912 972264490 /nfs/dbraw/zinc/26/44/90/972264490.db2.gz YLZQQCVETBXAPQ-NBVRZTHBSA-N 0 0 371.506 2.914 20 10 FFCDRN COc1ccc2c(c1)C[C@H](C(=O)N(C)Cc1ccc(N(C)C)cc1)CO2 ZINC000124431573 972301219 /nfs/dbraw/zinc/30/12/19/972301219.db2.gz PMZCILBGYSRVBR-KRWDZBQOSA-N 0 0 354.450 2.971 20 10 FFCDRN Cc1cc(O)c(C[N@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC001594325541 958167824 /nfs/dbraw/zinc/16/78/24/958167824.db2.gz ZIGZFFNRNBQAEY-OCCSQVGLSA-N 0 0 363.845 2.778 20 10 FFCDRN Cc1cc(C(=O)CN2CCN(CCO)CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000070739298 959086479 /nfs/dbraw/zinc/08/64/79/959086479.db2.gz NSRYPZFTCZFYFV-UHFFFAOYSA-N 0 0 369.509 2.504 20 10 FFCDRN CN(c1ccc(-c2cnn(C)c2)cc1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001174377757 1013191433 /nfs/dbraw/zinc/19/14/33/1013191433.db2.gz HAIZCEWDKBUSTQ-UHFFFAOYSA-N 0 0 356.451 2.636 20 10 FFCDRN CC(=O)N[C@@H](C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C)C(C)C ZINC000023593461 960681549 /nfs/dbraw/zinc/68/15/49/960681549.db2.gz ISQRQNCKAWSECX-HXUWFJFHSA-N 0 0 370.449 2.981 20 10 FFCDRN CC(C)=CCN1C[C@@]2(CC1=O)COCC[N@H+](Cc1c([O-])cccc1F)C2 ZINC001276031751 1013297654 /nfs/dbraw/zinc/29/76/54/1013297654.db2.gz NNUSUAWQLAAFNG-FQEVSTJZSA-N 0 0 362.445 2.548 20 10 FFCDRN C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)CC1 ZINC000891086579 961915436 /nfs/dbraw/zinc/91/54/36/961915436.db2.gz CPOJFFSYHZKVBR-MRXNPFEDSA-N 0 0 372.513 2.720 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2ccccc2)cc1 ZINC000009932531 1013313346 /nfs/dbraw/zinc/31/33/46/1013313346.db2.gz YJPFRZZTUPHFSA-UHFFFAOYSA-N 0 0 353.466 2.921 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H]4CCC[C@H]4O3)C2)cc1 ZINC000873062697 1013369218 /nfs/dbraw/zinc/36/92/18/1013369218.db2.gz XLAXNFQXCZFIIY-LVFSCSRESA-N 0 0 359.470 2.531 20 10 FFCDRN CCOC1CC2(C[C@H]2NC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000873062489 1013369757 /nfs/dbraw/zinc/36/97/57/1013369757.db2.gz RQTQYJFBAYISKL-JDPHQVRISA-N 0 0 359.470 2.531 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NC[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC2)cc1 ZINC000873143601 1013401752 /nfs/dbraw/zinc/40/17/52/1013401752.db2.gz NFCXTANEBIEAST-YSSFQJQWSA-N 0 0 373.497 2.921 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)Nc1cccc(-c2nnnn2C2CC2)c1 ZINC000588403454 963566712 /nfs/dbraw/zinc/56/67/12/963566712.db2.gz IQDFRDCVNAZVTI-UITAMQMPSA-N 0 0 363.377 2.738 20 10 FFCDRN O=C(NCC(F)(F)F)[C@H]1CC12CC[NH+](Cc1cccc(F)c1[O-])CC2 ZINC001276084815 1013429940 /nfs/dbraw/zinc/42/99/40/1013429940.db2.gz BUCSGOVTJXUKRW-GFCCVEGCSA-N 0 0 360.351 2.812 20 10 FFCDRN CN(C(=O)/C=C\c1ccc(O)c(O)c1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000588405213 963600405 /nfs/dbraw/zinc/60/04/05/963600405.db2.gz ZBJHNOUZOCZKNQ-GQSKFBFOSA-N 0 0 370.380 2.514 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NC[C@](O)(c1ccccc1)C(F)(F)F ZINC000588406852 963625037 /nfs/dbraw/zinc/62/50/37/963625037.db2.gz WXWYDRNJJGYSOK-KMDWOBIYSA-N 0 0 367.323 2.677 20 10 FFCDRN Cc1ccc(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c(O)c1O ZINC000728343230 963947360 /nfs/dbraw/zinc/94/73/60/963947360.db2.gz BLEFJRXKJYGJRZ-QWHCGFSZSA-N 0 0 355.390 2.929 20 10 FFCDRN Cc1c(CN2CC3(C2)COCC(=O)N3CC(C)C)c2ccccc2n1C ZINC001276095839 1013461249 /nfs/dbraw/zinc/46/12/49/1013461249.db2.gz HYGCDVOFSKWENO-UHFFFAOYSA-N 0 0 355.482 2.556 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)CCc2c[nH]cn2)cc1 ZINC000188810522 964006493 /nfs/dbraw/zinc/00/64/93/964006493.db2.gz IHYFMDKDDLRXJT-LJQANCHMSA-N 0 0 356.470 2.616 20 10 FFCDRN CCN(CC(=O)Nc1cccc(OC)c1)Cc1ccc(OC)c(OC)c1O ZINC000891473535 964360870 /nfs/dbraw/zinc/36/08/70/964360870.db2.gz FTLRNTSWTBKDEL-UHFFFAOYSA-N 0 0 374.437 2.879 20 10 FFCDRN O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N[C@]12C[C@H]1COC2 ZINC000891552260 964472478 /nfs/dbraw/zinc/47/24/78/964472478.db2.gz LBYKZNAZKHAKKH-DJJJIMSYSA-N 0 0 350.378 2.946 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC1CC2(C1)CO[C@@H](C)C2 ZINC000933530550 964500794 /nfs/dbraw/zinc/50/07/94/964500794.db2.gz JNXQHAYGDQPGSE-NNDYNSRJSA-N 0 0 374.481 2.595 20 10 FFCDRN Nc1ccc2c(c1)CN(C(=O)NCc1ccc(N3CC=CC3)cc1)CCO2 ZINC000891590543 964521998 /nfs/dbraw/zinc/52/19/98/964521998.db2.gz WPCHMJKKDUWORA-UHFFFAOYSA-N 0 0 364.449 2.749 20 10 FFCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)CCNC(=O)c1ccc[nH]1 ZINC001175565679 1013512843 /nfs/dbraw/zinc/51/28/43/1013512843.db2.gz GTRGVKGVPDTCHW-IBGZPJMESA-N 0 0 369.465 2.897 20 10 FFCDRN COc1ccc(CN(C)Cc2cnn(-c3ccccc3)n2)c(O)c1OC ZINC000891699233 964892550 /nfs/dbraw/zinc/89/25/50/964892550.db2.gz FQIIJTUSPRSNGH-UHFFFAOYSA-N 0 0 354.410 2.622 20 10 FFCDRN Cc1cc(CN2CC[C@@](N)(C(F)(F)F)C2)c(O)cc1Br ZINC001206251128 1013542791 /nfs/dbraw/zinc/54/27/91/1013542791.db2.gz MFEOUMVTWMPRBE-LBPRGKRZSA-N 0 0 353.182 2.929 20 10 FFCDRN CC(C)C[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894591586 965501619 /nfs/dbraw/zinc/50/16/19/965501619.db2.gz FFQQJJMTGVFMHA-IEBWSBKVSA-N 0 0 357.498 2.687 20 10 FFCDRN CC(C)[C@]1(C)C[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894594178 965509322 /nfs/dbraw/zinc/50/93/22/965509322.db2.gz FZMARNROHNAUBX-NQIIRXRSSA-N 0 0 357.498 2.687 20 10 FFCDRN COC(=O)c1ccc(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)o1 ZINC000894770746 965673067 /nfs/dbraw/zinc/67/30/67/965673067.db2.gz QCYXGAAOZDMHQM-UHFFFAOYSA-N 0 0 374.368 2.773 20 10 FFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)OCC(=O)N2 ZINC000097699956 965694655 /nfs/dbraw/zinc/69/46/55/965694655.db2.gz CNBDBYPOABFRQO-UHFFFAOYSA-N 0 0 362.345 2.834 20 10 FFCDRN C[C@@H](Nc1nc(N)nc(C(C)(C)C)n1)c1ccc(N2CCOCC2)cc1 ZINC000892025625 965836518 /nfs/dbraw/zinc/83/65/18/965836518.db2.gz TYJQLYZOCKGWFK-CYBMUJFWSA-N 0 0 356.474 2.761 20 10 FFCDRN COc1ccc([C@H]2CN(C(=O)NCCc3ccc(N)cc3)CCO2)cc1 ZINC000892039797 965866606 /nfs/dbraw/zinc/86/66/06/965866606.db2.gz ZEYSKGKNGPOYMV-LJQANCHMSA-N 0 0 355.438 2.603 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000892135359 966050938 /nfs/dbraw/zinc/05/09/38/966050938.db2.gz PVYRNXMADFOBBH-YZGWKJHDSA-N 0 0 357.498 2.883 20 10 FFCDRN COc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)c(O)c1OC ZINC000892185416 966211633 /nfs/dbraw/zinc/21/16/33/966211633.db2.gz MSRZHDNSFLRNAB-UHFFFAOYSA-N 0 0 366.421 2.684 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Cc1cnn2ccccc12 ZINC000843606559 966212998 /nfs/dbraw/zinc/21/29/98/966212998.db2.gz DTPDDBIZIYRQQD-MRXNPFEDSA-N 0 0 350.466 2.999 20 10 FFCDRN CN(C)c1ncc(Nc2cccc3c2C(=O)c2cccc(N)c2C3=O)cn1 ZINC001176334557 1013678078 /nfs/dbraw/zinc/67/80/78/1013678078.db2.gz ZGHXLIIJICYFIN-UHFFFAOYSA-N 0 0 359.389 2.644 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)C(=O)Nc3ccsc3C)C2)cc1 ZINC000873922458 1013693201 /nfs/dbraw/zinc/69/32/01/1013693201.db2.gz INQJMKQFGWPOAX-AWEZNQCLSA-N 0 0 373.478 2.646 20 10 FFCDRN COc1cc(C)cc(CNc2ccc3c(c2)[nH+]c(C)n3C(CO)CO)c1O ZINC000894916871 967095157 /nfs/dbraw/zinc/09/51/57/967095157.db2.gz AUOYVLBSHNWTMU-UHFFFAOYSA-N 0 0 371.437 2.505 20 10 FFCDRN O=C(CN1Cc2ccccc2OC1=O)NCc1ccc(N2CCCC2)cc1 ZINC000843766709 967104650 /nfs/dbraw/zinc/10/46/50/967104650.db2.gz PJRNHWGMRNFCEC-UHFFFAOYSA-N 0 0 365.433 2.918 20 10 FFCDRN COc1ccc(C2CC2)c(NC(=O)C(=O)NCc2cc(C)ccc2O)c1 ZINC000873953483 1013707587 /nfs/dbraw/zinc/70/75/87/1013707587.db2.gz RSYCRWYMZHMTLR-UHFFFAOYSA-N 0 0 354.406 2.842 20 10 FFCDRN COC(=O)c1ccc(NCCc2cc(O)c(O)cc2O)c2ncccc12 ZINC001168005355 967565386 /nfs/dbraw/zinc/56/53/86/967565386.db2.gz FUWBXZQRJMJSFL-UHFFFAOYSA-N 0 0 354.362 2.793 20 10 FFCDRN Oc1cc(O)c(CCNc2ncnc3ccc(C(F)(F)F)nc32)cc1O ZINC001168007105 967631696 /nfs/dbraw/zinc/63/16/96/967631696.db2.gz ZRAFIYNDWBYVFW-UHFFFAOYSA-N 0 0 366.299 2.815 20 10 FFCDRN Cc1nc(-c2cccnc2)nc(NCCc2cc(O)c(O)cc2O)c1C ZINC001168009164 967732435 /nfs/dbraw/zinc/73/24/35/967732435.db2.gz JQPYJGCRSVNNAL-UHFFFAOYSA-N 0 0 352.394 2.927 20 10 FFCDRN CCCOc1ccc(NC(=O)C(=O)N2Cc3cccc(O)c3C2)cc1F ZINC000874100362 1013759068 /nfs/dbraw/zinc/75/90/68/1013759068.db2.gz MRRUJIOJLFEQIA-UHFFFAOYSA-N 0 0 358.369 2.801 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000065753333 968540345 /nfs/dbraw/zinc/54/03/45/968540345.db2.gz LITKZMWZJBHBGA-UHFFFAOYSA-N 0 0 366.421 2.690 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(c3cnccn3)[C@H](C)C2)c1O ZINC001177015904 1013829056 /nfs/dbraw/zinc/82/90/56/1013829056.db2.gz SEXXGGWDYUUIED-GFCCVEGCSA-N 0 0 360.845 2.749 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Cc2ccccc2O[C@@H]2CCOC2)c1 ZINC000825736594 1013834004 /nfs/dbraw/zinc/83/40/04/1013834004.db2.gz DALBTJFZKVFBNP-WMLDXEAASA-N 0 0 371.433 2.988 20 10 FFCDRN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)NCc1ccccc1O)C2 ZINC000892527374 969366407 /nfs/dbraw/zinc/36/64/07/969366407.db2.gz OJJDOZPJNDARNB-KFWWJZLASA-N 0 0 361.442 2.732 20 10 FFCDRN COCCN(C[C@@H]1CCC[C@]2(CCOC2)O1)c1ccc(OC)c(OC)c1 ZINC001167696430 969562721 /nfs/dbraw/zinc/56/27/21/969562721.db2.gz QYJACEOZUHOOAT-FXAWDEMLSA-N 0 0 365.470 2.885 20 10 FFCDRN Cc1ncc([C@H](C)NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC000875087145 1013966177 /nfs/dbraw/zinc/96/61/77/1013966177.db2.gz HJLCQTPPJNEFAV-ZDUSSCGKSA-N 0 0 372.494 2.545 20 10 FFCDRN CC(C)(NC(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCCO1 ZINC000875140405 1013977742 /nfs/dbraw/zinc/97/77/42/1013977742.db2.gz CZTRGSYLLJUUNI-SFHVURJKSA-N 0 0 361.486 2.670 20 10 FFCDRN CC[NH+]1CCN(c2ccc(CNCc3nccn3C3CC3)cc2F)CC1 ZINC000892905510 970363490 /nfs/dbraw/zinc/36/34/90/970363490.db2.gz MPDGEXYWUQKZRO-UHFFFAOYSA-N 0 0 357.477 2.789 20 10 FFCDRN COc1cc(C)cc(CNc2ccc([C@H]3CC(=O)NC(=O)N3)cc2)c1O ZINC000895346004 970433099 /nfs/dbraw/zinc/43/30/99/970433099.db2.gz TYXBOTNMDUCVER-OAHLLOKOSA-N 0 0 355.394 2.592 20 10 FFCDRN COc1cccc(N2CC[C@H](CNC(=O)N3Cc4cccc(O)c4C3)C2)c1 ZINC000875210495 1013993888 /nfs/dbraw/zinc/99/38/88/1013993888.db2.gz HQFDOSLJOKFJPS-OAHLLOKOSA-N 0 0 367.449 2.953 20 10 FFCDRN Cc1noc(C[C@@H]2CCCN(C(=O)NCc3ccc(N(C)C)cc3C)C2)n1 ZINC000893053007 970540408 /nfs/dbraw/zinc/54/04/08/970540408.db2.gz JJRPTPLGIULODK-INIZCTEOSA-N 0 0 371.485 2.917 20 10 FFCDRN COC(=O)Cn1cc(CN(Cc2cccs2)c2ccc(OC)cc2)nn1 ZINC000294924205 970580733 /nfs/dbraw/zinc/58/07/33/970580733.db2.gz KBXFCHUKQPDJAV-UHFFFAOYSA-N 0 0 372.450 2.728 20 10 FFCDRN COc1cc(OC)cc(OCCNC(=O)N2Cc3cccc(O)c3C2)c1 ZINC000875386323 1014020657 /nfs/dbraw/zinc/02/06/57/1014020657.db2.gz QSPUEBAJZJDPPT-UHFFFAOYSA-N 0 0 358.394 2.514 20 10 FFCDRN Cc1ccc(CNC(=O)N2Cc3cccc(O)c3C2)c(N2CCCC2)n1 ZINC000875475182 1014031801 /nfs/dbraw/zinc/03/18/01/1014031801.db2.gz NRDRPBRJKOIEPI-UHFFFAOYSA-N 0 0 352.438 2.921 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)[C@@H](O)C(F)(F)F)ccc21 ZINC000644740951 970721376 /nfs/dbraw/zinc/72/13/76/970721376.db2.gz BIGPRJMODCQUCG-MEDUHNTESA-N 0 0 372.387 2.946 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](C)CO[C@H]2CCOC2)cc1F ZINC000125499653 1014053335 /nfs/dbraw/zinc/05/33/35/1014053335.db2.gz IIVVFUGCXSGLKI-HOCLYGCPSA-N 0 0 367.465 2.665 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3Cc4cccc(O)c4C3)C2)cc1 ZINC000875715144 1014066318 /nfs/dbraw/zinc/06/63/18/1014066318.db2.gz GARICGBWIHWKLJ-OAHLLOKOSA-N 0 0 353.422 2.705 20 10 FFCDRN COC(=O)C1=CC[C@@H](NC(=O)N(Cc2ccco2)Cc2ccccc2O)C1 ZINC000875803662 1014078891 /nfs/dbraw/zinc/07/88/91/1014078891.db2.gz BVGGITIZUMCVMS-MRXNPFEDSA-N 0 0 370.405 2.959 20 10 FFCDRN O=C(NCC[C@@H]1CCCOC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000875774802 1014074921 /nfs/dbraw/zinc/07/49/21/1014074921.db2.gz FKFXAXMVGQKVAI-FUHWJXTLSA-N 0 0 362.470 2.900 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)/C=C/c1ccc2c(c1)NC(=O)CO2 ZINC001126005169 973117945 /nfs/dbraw/zinc/11/79/45/973117945.db2.gz ZYHJSPJQPHYQAN-WEVVVXLNSA-N 0 0 365.433 2.722 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000825832428 1014095821 /nfs/dbraw/zinc/09/58/21/1014095821.db2.gz QVVRYQKOHXMLJI-GBESFXJTSA-N 0 0 357.498 2.883 20 10 FFCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cc(F)c(F)cc3F)no2)cc1O ZINC001211664955 973995643 /nfs/dbraw/zinc/99/56/43/973995643.db2.gz CFNHORSVVVZLTB-CQSZACIVSA-N 0 0 352.268 2.841 20 10 FFCDRN Oc1ccc(C[C@H](O)c2nc(-c3ccccc3-n3ccnc3)no2)cc1O ZINC001211665891 974069220 /nfs/dbraw/zinc/06/92/20/974069220.db2.gz ZKHFORDLWPAUBU-KRWDZBQOSA-N 0 0 364.361 2.610 20 10 FFCDRN CCN(C)C(=O)[C@@H](C)NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC000651873354 974323158 /nfs/dbraw/zinc/32/31/58/974323158.db2.gz CEFRJKVYOSAADS-CQSZACIVSA-N 0 0 371.481 2.512 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)c1ccoc1C(C)C)cc2=O ZINC000796393479 1014216256 /nfs/dbraw/zinc/21/62/56/1014216256.db2.gz GXPMCZGGIZYUPT-UHFFFAOYSA-N 0 0 373.365 2.685 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1ccoc1C1(O)CCOCC1 ZINC000825873515 1014248787 /nfs/dbraw/zinc/24/87/87/1014248787.db2.gz LXQSUSHFDCKYLV-UHFFFAOYSA-N 0 0 358.438 2.582 20 10 FFCDRN Cc1ccc(C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)c(O)c1O ZINC000760552846 975475460 /nfs/dbraw/zinc/47/54/60/975475460.db2.gz BPQJNHKXLUJBJY-MRXNPFEDSA-N 0 0 372.490 2.754 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)c2ncccn2)CCCC1 ZINC000649973953 1014332129 /nfs/dbraw/zinc/33/21/29/1014332129.db2.gz XPXAUBSPDYUPRL-UHFFFAOYSA-N 0 0 350.422 2.982 20 10 FFCDRN C[C@H](NC(=O)C[C@H]1CN(C(=O)OC(C)(C)C)CCO1)c1ccccc1O ZINC000827973675 976518021 /nfs/dbraw/zinc/51/80/21/976518021.db2.gz WIEAHNKXKNDFJJ-KBPBESRZSA-N 0 0 364.442 2.595 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N[C@H]2CC[C@@H](c3cccc(F)c3)C2)cc1 ZINC000842154444 976623016 /nfs/dbraw/zinc/62/30/16/976623016.db2.gz UCSTXXSEIBXIDP-APWZRJJASA-N 0 0 369.440 2.519 20 10 FFCDRN CC(C)C(=O)N[C@@H]1CC[C@H](CNC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC000981601224 976650202 /nfs/dbraw/zinc/65/02/02/976650202.db2.gz TVTMTJQDDLFUSL-SWLSCSKDSA-N 0 0 359.430 2.520 20 10 FFCDRN CN1C[C@@H](CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1=O ZINC000924740109 976677122 /nfs/dbraw/zinc/67/71/22/976677122.db2.gz SBWPAPJEFBISMH-HNNXBMFYSA-N 0 0 371.437 2.565 20 10 FFCDRN CC(C)(C)[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1ccccc1 ZINC000842192920 976763537 /nfs/dbraw/zinc/76/35/37/976763537.db2.gz URRRKUNQXPAKNI-GOSISDBHSA-N 0 0 353.466 2.831 20 10 FFCDRN O=C(C[C@H]1CCC2(CCC2)O1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000898983631 976832195 /nfs/dbraw/zinc/83/21/95/976832195.db2.gz XCYWKDHZXISASV-LJQANCHMSA-N 0 0 358.482 2.756 20 10 FFCDRN C[C@H](NC(=O)[C@H](c1ccccc1F)N1CCOCC1)c1ccccc1O ZINC000827973368 976869891 /nfs/dbraw/zinc/86/98/91/976869891.db2.gz MYZOOWPBEOLKTO-LIRRHRJNSA-N 0 0 358.413 2.782 20 10 FFCDRN Cc1cccc([C@@H]2CCCN2C(=O)C(=O)NCCc2ccc(N)cc2)c1 ZINC000842236485 976958484 /nfs/dbraw/zinc/95/84/84/976958484.db2.gz OYEQTBFSCSHTHG-IBGZPJMESA-N 0 0 351.450 2.600 20 10 FFCDRN CC(C)CN(CCc1ccccc1)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842237027 976960062 /nfs/dbraw/zinc/96/00/62/976960062.db2.gz AIZZUDKHLYDBJU-UHFFFAOYSA-N 0 0 367.493 2.655 20 10 FFCDRN COc1cccc(-c2noc([C@@H](O)c3ccc(N(C)C)cc3)n2)c1OC ZINC001211704134 977069025 /nfs/dbraw/zinc/06/90/25/977069025.db2.gz OFHJENDLGVUNND-INIZCTEOSA-N 0 0 355.394 2.902 20 10 FFCDRN CN(C)c1ccc([C@H](O)c2nc(-c3ccc(OC4COC4)cc3)no2)cc1 ZINC001211704120 977069596 /nfs/dbraw/zinc/06/95/96/977069596.db2.gz NWQAEJUZTONEFM-SFHVURJKSA-N 0 0 367.405 2.662 20 10 FFCDRN COc1ncc(Cl)cc1-c1noc([C@@H](O)c2ccc(N(C)C)cc2)n1 ZINC001211704196 977074248 /nfs/dbraw/zinc/07/42/48/977074248.db2.gz PUVMIZPVAGWJCT-AWEZNQCLSA-N 0 0 360.801 2.941 20 10 FFCDRN CNc1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000876730876 1014368800 /nfs/dbraw/zinc/36/88/00/1014368800.db2.gz NCLRYVAUVIHOHU-UHFFFAOYSA-N 0 0 357.429 2.759 20 10 FFCDRN CCCc1[nH]ccc1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000899472784 977171984 /nfs/dbraw/zinc/17/19/84/977171984.db2.gz JCWNAUMWHWGQCE-UHFFFAOYSA-N 0 0 368.481 2.599 20 10 FFCDRN COCc1nn(C)cc1C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000825905372 1014382043 /nfs/dbraw/zinc/38/20/43/1014382043.db2.gz MHTHPMDWUGDHHR-UHFFFAOYSA-N 0 0 355.394 2.708 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)c2ccccc2O)nn1-c1nc(C)cc(C)n1 ZINC000827973011 977390438 /nfs/dbraw/zinc/39/04/38/977390438.db2.gz GLKNRWCTGCUVGO-AWEZNQCLSA-N 0 0 351.410 2.784 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H]1COc2ccccc2O1 ZINC000031091041 977414245 /nfs/dbraw/zinc/41/42/45/977414245.db2.gz MJHPREKFCPIAEQ-GOSISDBHSA-N 0 0 367.449 2.926 20 10 FFCDRN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nnc2ccccn21 ZINC000876903612 1014415308 /nfs/dbraw/zinc/41/53/08/1014415308.db2.gz YOWQQLKFFZFLBX-OAHLLOKOSA-N 0 0 351.454 2.541 20 10 FFCDRN OC1CCN(c2ccc(CNCc3nncn3-c3ccccc3)cc2)CC1 ZINC000876929909 1014424249 /nfs/dbraw/zinc/42/42/49/1014424249.db2.gz OWRMTXPZQVKNMO-UHFFFAOYSA-N 0 0 363.465 2.518 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(NC(C)=O)cc2)c1 ZINC000728944418 977831009 /nfs/dbraw/zinc/83/10/09/977831009.db2.gz XVHCAXCNSMGYJF-GFCCVEGCSA-N 0 0 357.410 2.920 20 10 FFCDRN CCN1CCN(c2ccc(C(=O)NCCc3ccc(N)cc3)cc2F)CC1 ZINC000236995817 977893898 /nfs/dbraw/zinc/89/38/98/977893898.db2.gz RWTFKLKHANEYPB-UHFFFAOYSA-N 0 0 370.472 2.522 20 10 FFCDRN CCOc1cc(F)c(F)cc1N(C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001211800649 977915893 /nfs/dbraw/zinc/91/58/93/977915893.db2.gz BIGHVGMLSHZRTC-UHFFFAOYSA-N 0 0 356.394 2.912 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2cccc(OC)c2OC)c1 ZINC000728946352 977945446 /nfs/dbraw/zinc/94/54/46/977945446.db2.gz BGCAIGFHZHHSEE-GFCCVEGCSA-N 0 0 360.410 2.978 20 10 FFCDRN NC(=O)CSc1ccccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000028331361 977963631 /nfs/dbraw/zinc/96/36/31/977963631.db2.gz RHBCOHPRAGZZOS-UHFFFAOYSA-N 0 0 369.490 2.794 20 10 FFCDRN Cc1cc(C(=O)Nc2ccc(CNC(N)=O)cc2)c(C)n1-c1ccccn1 ZINC000067240299 978075042 /nfs/dbraw/zinc/07/50/42/978075042.db2.gz NYDYBRKWNPTXSG-UHFFFAOYSA-N 0 0 363.421 2.910 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000728977898 978136292 /nfs/dbraw/zinc/13/62/92/978136292.db2.gz HFBRBUHKQJQHQR-KGLIPLIRSA-N 0 0 354.406 2.631 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](C)NC(=O)c2ccccc2)c1 ZINC000728979291 978138242 /nfs/dbraw/zinc/13/82/42/978138242.db2.gz DYJWYTMALJCQSN-ZIAGYGMSSA-N 0 0 356.422 2.787 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)c1 ZINC000728981369 978145881 /nfs/dbraw/zinc/14/58/81/978145881.db2.gz XZQSBMCJGKINAH-HUUCEWRRSA-N 0 0 368.433 2.940 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000728983361 978146823 /nfs/dbraw/zinc/14/68/23/978146823.db2.gz YQHXUNQMRJVTKE-ZIAGYGMSSA-N 0 0 362.470 2.863 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc3c(c2)OCC(=O)N3)c1 ZINC000729034796 978164546 /nfs/dbraw/zinc/16/45/46/978164546.db2.gz RRXVOJDDBCCXDA-JTQLQIEISA-N 0 0 357.366 2.614 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2nc3ccccc3n2C)c1 ZINC000729043666 978165527 /nfs/dbraw/zinc/16/55/27/978165527.db2.gz WRNWFFQEHLSNCC-LBPRGKRZSA-N 0 0 354.410 2.848 20 10 FFCDRN CCOc1cccc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000729061497 978168304 /nfs/dbraw/zinc/16/83/04/978168304.db2.gz GEMCLKJNUWAYKH-GFCCVEGCSA-N 0 0 358.394 2.615 20 10 FFCDRN COc1nn(C)c2nc(C)c(CCC(=O)N(C)c3ccc(N)cc3)c(C)c12 ZINC000877077582 1014469760 /nfs/dbraw/zinc/46/97/60/1014469760.db2.gz NRLILSWUAHJGOH-UHFFFAOYSA-N 0 0 367.453 2.772 20 10 FFCDRN CN(C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(N)cc1 ZINC000877079112 1014470601 /nfs/dbraw/zinc/47/06/01/1014470601.db2.gz QYJLAAYOYCWDEP-UHFFFAOYSA-N 0 0 373.478 2.720 20 10 FFCDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1ccc(O)c(O)c1 ZINC000158872786 978323420 /nfs/dbraw/zinc/32/34/20/978323420.db2.gz LKFYGPYAMXGCKW-UHFFFAOYSA-N 0 0 351.406 2.759 20 10 FFCDRN COc1cc(N(C)Cc2ccc3oc(=O)n(C)c3c2)cc(OC)c1OC ZINC000877179986 1014500735 /nfs/dbraw/zinc/50/07/35/1014500735.db2.gz MFYQGVNCVIHPMS-UHFFFAOYSA-N 0 0 358.394 2.794 20 10 FFCDRN Cc1cccc(C(=O)NC2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1 ZINC000877227494 1014518086 /nfs/dbraw/zinc/51/80/86/1014518086.db2.gz KQTNNUFEEYDIPK-UHFFFAOYSA-N 0 0 351.450 2.541 20 10 FFCDRN COc1cccc(C2(NC(=O)Cc3ccc(N)cc3)CCOCC2)c1F ZINC000877235429 1014521074 /nfs/dbraw/zinc/52/10/74/1014521074.db2.gz HICYMXPFMPIBMT-UHFFFAOYSA-N 0 0 358.413 2.781 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1C ZINC001137118018 1014542095 /nfs/dbraw/zinc/54/20/95/1014542095.db2.gz YYBVCFQKRYDBCI-KRWDZBQOSA-N 0 0 367.449 2.668 20 10 FFCDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(O)c1 ZINC000109179694 979638231 /nfs/dbraw/zinc/63/82/31/979638231.db2.gz WLEHILIMGWNZBL-AWEZNQCLSA-N 0 0 356.422 2.728 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC[C@]3(O)CCCOC3)ccc21 ZINC000652946751 979663638 /nfs/dbraw/zinc/66/36/38/979663638.db2.gz DQHJRWVIGIMNGJ-OAQYLSRUSA-N 0 0 374.481 2.566 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCc2cccc([N+](=O)[O-])c2)cc1F ZINC000126543395 1014593778 /nfs/dbraw/zinc/59/37/78/1014593778.db2.gz WZKLOMBFVOEIEY-UHFFFAOYSA-N 0 0 360.389 2.842 20 10 FFCDRN C[C@@H](CCNC(=O)[C@@H]1C[C@H]1C1CC1)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001076717194 979798526 /nfs/dbraw/zinc/79/85/26/979798526.db2.gz SQZZSRWOGYOEBW-KNXALSJPSA-N 0 0 371.441 2.520 20 10 FFCDRN COc1ccc(Cn2cc(CN[C@H](C)c3cc(OC)ccc3O)nn2)cc1 ZINC000877531265 1014615382 /nfs/dbraw/zinc/61/53/82/1014615382.db2.gz KURHUHBIEHJPPM-CQSZACIVSA-N 0 0 368.437 2.900 20 10 FFCDRN C[C@H](C[C@H]1CCOC1)NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000760192135 980196210 /nfs/dbraw/zinc/19/62/10/980196210.db2.gz GDJXKIGUUGWYCZ-NUJGCVRESA-N 0 0 362.470 2.898 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N(O)Cc1ccc(F)cc1 ZINC000904197089 980213007 /nfs/dbraw/zinc/21/30/07/980213007.db2.gz QZRMEFJTQMCSQX-UHFFFAOYSA-N 0 0 373.428 2.888 20 10 FFCDRN CCOC(=O)C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)F ZINC000877625306 1014651380 /nfs/dbraw/zinc/65/13/80/1014651380.db2.gz IMXGWLURBAVNSF-INIZCTEOSA-N 0 0 374.403 2.621 20 10 FFCDRN C[C@H](NC(=O)NCc1cccc(CO)c1)c1ccc(N2CCOCC2)cc1 ZINC000729602978 980408022 /nfs/dbraw/zinc/40/80/22/980408022.db2.gz RDLNHLBGFMDCJQ-INIZCTEOSA-N 0 0 369.465 2.576 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC001545668972 980475928 /nfs/dbraw/zinc/47/59/28/980475928.db2.gz DRVQKOWCAXHGQL-HNNXBMFYSA-N 0 0 355.312 2.509 20 10 FFCDRN C[C@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1cnccn1 ZINC000906464341 980663471 /nfs/dbraw/zinc/66/34/71/980663471.db2.gz KZFAFCSUHKZQRV-LPHOPBHVSA-N 0 0 368.481 2.854 20 10 FFCDRN Nc1ccc2c(c1Nc1cnn3cccnc13)C(=O)c1ccccc1C2=O ZINC001205997010 1032100897 /nfs/dbraw/zinc/10/08/97/1032100897.db2.gz FMQYCMNWZPKFNV-UHFFFAOYSA-N 0 0 355.357 2.831 20 10 FFCDRN C[C@@H]1[C@@H](NC(=O)[C@@H]2CC2(C)C)CCN1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC000987622394 980818343 /nfs/dbraw/zinc/81/83/43/980818343.db2.gz RUPSFYSOYOHTAX-UGFHNGPFSA-N 0 0 371.441 2.614 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccn(CC(F)(F)F)c2=O)c1 ZINC000907059565 981192685 /nfs/dbraw/zinc/19/26/85/981192685.db2.gz FBZFISVUHLKNBY-SNVBAGLBSA-N 0 0 370.327 2.616 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)Nc1nc2n(n1)CCCC2 ZINC000841725738 981305046 /nfs/dbraw/zinc/30/50/46/981305046.db2.gz NRYLFZORYAFKEQ-AWEZNQCLSA-N 0 0 356.474 2.742 20 10 FFCDRN COc1cc(CO)ccc1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000910558286 981996519 /nfs/dbraw/zinc/99/65/19/981996519.db2.gz NPRSCHHCBZZYKP-OAHLLOKOSA-N 0 0 356.466 2.923 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1ccc(CN2CCCCC2=O)cc1 ZINC000910951091 982098133 /nfs/dbraw/zinc/09/81/33/982098133.db2.gz AKEDURJLFBSYLH-UHFFFAOYSA-N 0 0 354.406 2.540 20 10 FFCDRN COc1cc2c(cc1OC)CN(C(=O)NCCc1ccc(N)cc1)CC2 ZINC000841961970 982475789 /nfs/dbraw/zinc/47/57/89/982475789.db2.gz IXAJOENCQVNSHR-UHFFFAOYSA-N 0 0 355.438 2.596 20 10 FFCDRN O=C(c1cccc(F)c1)N1CCN(Cc2cc(F)c(F)cc2O)CC1 ZINC001142520477 982527042 /nfs/dbraw/zinc/52/70/42/982527042.db2.gz KELXCEVSBKFKTD-UHFFFAOYSA-N 0 0 350.340 2.768 20 10 FFCDRN OC1CCN(c2ccc(CNc3ccnn3[C@H]3CCCOC3)cc2)CC1 ZINC000898088103 982615124 /nfs/dbraw/zinc/61/51/24/982615124.db2.gz AOMGOJKTCGTPQB-SFHVURJKSA-N 0 0 356.470 2.808 20 10 FFCDRN CCNC(=O)COc1ccc(NC(=O)N[C@@H](C)c2ccccc2O)cc1 ZINC000878154261 1014887683 /nfs/dbraw/zinc/88/76/83/1014887683.db2.gz RWJJSHSYCHCUMT-ZDUSSCGKSA-N 0 0 357.410 2.790 20 10 FFCDRN CCOC(=O)N1CC[C@H](NC(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000185589627 983955068 /nfs/dbraw/zinc/95/50/68/983955068.db2.gz ASWDCVPQHHUIMX-INIZCTEOSA-N 0 0 362.474 2.563 20 10 FFCDRN CCn1nc(C2CC2)cc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000912293424 984001704 /nfs/dbraw/zinc/00/17/04/984001704.db2.gz WJJVDPPVDGGUDH-HNNXBMFYSA-N 0 0 354.454 2.798 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCN(c3nccc(C(C)C)n3)CC2)c1O ZINC000185828251 984037572 /nfs/dbraw/zinc/03/75/72/984037572.db2.gz CXOMEDQICLMKIT-UHFFFAOYSA-N 0 0 372.444 2.970 20 10 FFCDRN COC(=O)Nc1ccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000912980513 984159123 /nfs/dbraw/zinc/15/91/23/984159123.db2.gz KSJGGUVKSTXLEL-UHFFFAOYSA-N 0 0 369.421 2.836 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)NCc2ccc(C(C)(C)C)cc2)cc1 ZINC000785425778 984272167 /nfs/dbraw/zinc/27/21/67/984272167.db2.gz QEBZNNHTBPKDGF-UHFFFAOYSA-N 0 0 367.493 2.983 20 10 FFCDRN COc1cc(C)cc(CN2CCN(C(=O)Cc3ccc(C)cc3)CC2)c1O ZINC000164259976 984338103 /nfs/dbraw/zinc/33/81/03/984338103.db2.gz VVGKQFUUYOVIGU-UHFFFAOYSA-N 0 0 368.477 2.905 20 10 FFCDRN Cc1cccc(OCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1C ZINC000055522528 984355099 /nfs/dbraw/zinc/35/50/99/984355099.db2.gz AIQQVBOEQLFTPQ-UHFFFAOYSA-N 0 0 372.440 2.974 20 10 FFCDRN Nc1c(C(=O)OC[C@@H]2CCCOC2)ccc2c1C(=O)c1ccccc1C2=O ZINC000760719207 984432889 /nfs/dbraw/zinc/43/28/89/984432889.db2.gz NOWOBNIZPIPAFB-GFCCVEGCSA-N 0 0 365.385 2.628 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)Nc3cc(C)ccc3OC)CC2)cc1 ZINC000057548397 984503398 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COc1cc(OC)c(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1OC ZINC000746798628 1002035318 /nfs/dbraw/zinc/03/53/18/1002035318.db2.gz ZHPOVJWLPABBHM-UHFFFAOYSA-N 0 0 362.401 2.848 20 10 FFCDRN CCOC(=O)N1CCC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000746812671 1002067619 /nfs/dbraw/zinc/06/76/19/1002067619.db2.gz DNJNRUOBIHYNDM-KRWDZBQOSA-N 0 0 359.470 2.554 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NCc1cccc(Cl)c1 ZINC000774552502 1002074059 /nfs/dbraw/zinc/07/40/59/1002074059.db2.gz ZGDMGXJSYIAXBT-UHFFFAOYSA-N 0 0 371.868 2.873 20 10 FFCDRN Cc1ccc(CNC(=O)NCC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773021034 1002138217 /nfs/dbraw/zinc/13/82/17/1002138217.db2.gz QSPHKHVHBNAQFF-MRXNPFEDSA-N 0 0 368.481 2.738 20 10 FFCDRN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001183141009 1002170717 /nfs/dbraw/zinc/17/07/17/1002170717.db2.gz GEISENQZKRROJG-WMLDXEAASA-N 0 0 362.495 2.670 20 10 FFCDRN COC(=O)C[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1cccc(F)c1 ZINC000789892293 1002227386 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Cn1ccc(NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2O)n1 ZINC001184071569 1002477652 /nfs/dbraw/zinc/47/76/52/1002477652.db2.gz LOBPWGYELJZWLO-CYBMUJFWSA-N 0 0 360.414 2.720 20 10 FFCDRN COC(=O)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC1CCCC1 ZINC001184229211 1002532593 /nfs/dbraw/zinc/53/25/93/1002532593.db2.gz PTCOSALGDQYFAA-CQSZACIVSA-N 0 0 366.414 2.768 20 10 FFCDRN C[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)N1CCc2ccccc21 ZINC000772767475 1002574689 /nfs/dbraw/zinc/57/46/89/1002574689.db2.gz CMTPZUZJDZTMSS-FNOHHLHBSA-N 0 0 353.374 2.632 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1F ZINC000746979869 1002583139 /nfs/dbraw/zinc/58/31/39/1002583139.db2.gz WAPYEFGEQFVNFV-SFHVURJKSA-N 0 0 372.488 2.864 20 10 FFCDRN C[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H]1C ZINC000774753242 1002650340 /nfs/dbraw/zinc/65/03/40/1002650340.db2.gz IQJFNIXJGDBALR-JTDSTZFVSA-N 0 0 355.482 2.620 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)OCC[C@@H]3CNC(=O)C3)ccc21 ZINC000792008775 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ZINC001192921618 1004328240 /nfs/dbraw/zinc/32/82/40/1004328240.db2.gz PLDBUZBNQAADQZ-UHFFFAOYSA-N 0 0 351.193 2.911 20 10 FFCDRN Cc1cnncc1C(=O)N1CCN(c2ccc(OC(F)(F)F)cc2)CC1 ZINC001192934919 1004331852 /nfs/dbraw/zinc/33/18/52/1004331852.db2.gz BRMDOKAVQKJVRA-UHFFFAOYSA-N 0 0 366.343 2.646 20 10 FFCDRN COc1cc(C(=O)Nc2ccc3c(c2)N(C)C(=O)C3(C)C)cc(O)c1O ZINC001193105154 1004375362 /nfs/dbraw/zinc/37/53/62/1004375362.db2.gz ZVWCNYOOUIXZTL-UHFFFAOYSA-N 0 0 356.378 2.613 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Nc3ccnc(OC)c3)CC2)cc1 ZINC000806662920 1004391077 /nfs/dbraw/zinc/39/10/77/1004391077.db2.gz QHKOHPSXHUNFGE-UHFFFAOYSA-N 0 0 356.426 2.843 20 10 FFCDRN NC(=O)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)nc1Cl ZINC000806666024 1004392417 /nfs/dbraw/zinc/39/24/17/1004392417.db2.gz KJTZHPCBDJAMRA-UHFFFAOYSA-N 0 0 372.856 2.754 20 10 FFCDRN CCC(=O)N1CC[C@H](NC(=O)c2csc(-c3ccc(N(C)C)cc3)n2)C1 ZINC001193179414 1004408533 /nfs/dbraw/zinc/40/85/33/1004408533.db2.gz RPSRHXREAFHXHZ-AWEZNQCLSA-N 0 0 372.494 2.617 20 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/nfs/dbraw/zinc/50/82/35/1004508235.db2.gz OIAWDMYUJCIDQI-GPMSIDNRSA-N 0 0 357.498 2.857 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(Cc1cccs1)C1CC1 ZINC000807101461 1004509492 /nfs/dbraw/zinc/50/94/92/1004509492.db2.gz YSJBTVHPPINGDW-UHFFFAOYSA-N 0 0 371.506 2.930 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@@H](C)[C@H]1c1ccccc1 ZINC000807101977 1004509631 /nfs/dbraw/zinc/50/96/31/1004509631.db2.gz WQAHUXRGFDYTBB-UZLBHIALSA-N 0 0 365.477 2.897 20 10 FFCDRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289593 1004548625 /nfs/dbraw/zinc/54/86/25/1004548625.db2.gz AYLXDXLHICZGAZ-POAQFYNOSA-N 0 0 367.493 2.859 20 10 FFCDRN C[C@H]1CCC[C@H](C)N(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807292147 1004553142 /nfs/dbraw/zinc/55/31/42/1004553142.db2.gz MKSWDCFCUBCDAA-IRXDYDNUSA-N 0 0 355.482 2.716 20 10 FFCDRN C[C@H](NS(=O)(=O)c1cccc(Br)n1)c1ccccc1O ZINC001193689173 1004553406 /nfs/dbraw/zinc/55/34/06/1004553406.db2.gz ATPYXDYRYZXSDM-VIFPVBQESA-N 0 0 357.229 2.589 20 10 FFCDRN C[C@H]([NH2+]CC(=O)NCCOc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000775834926 1004560691 /nfs/dbraw/zinc/56/06/91/1004560691.db2.gz WAYMJMMMFFXZJK-HNNXBMFYSA-N 0 0 359.445 2.738 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)c(O)c1 ZINC000807620693 1004639779 /nfs/dbraw/zinc/63/97/79/1004639779.db2.gz NRVZRLRBGJHAKY-HNAYVOBHSA-N 0 0 369.465 2.863 20 10 FFCDRN C[C@@H](CNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)Cc1cccs1 ZINC000807628160 1004642587 /nfs/dbraw/zinc/64/25/87/1004642587.db2.gz RNYYTTQKLCUKHV-HUUCEWRRSA-N 0 0 373.522 2.986 20 10 FFCDRN CCN(C(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1)[C@H](C)c1cccnc1 ZINC000807677866 1004659497 /nfs/dbraw/zinc/65/94/97/1004659497.db2.gz CMHXYNUWIDXEMF-HZPDHXFCSA-N 0 0 368.481 2.935 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N1CCC[C@H]1c1ccccn1)c1ccc(N(C)C)cc1 ZINC000807676364 1004659539 /nfs/dbraw/zinc/65/95/39/1004659539.db2.gz FJPHEEPXZRIOBE-BEFAXECRSA-N 0 0 366.465 2.689 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N(C)[C@@H](C)c1ccncc1)c1ccc(N(C)C)cc1 ZINC000807678436 1004659775 /nfs/dbraw/zinc/65/97/75/1004659775.db2.gz HJQGIMNQQYTGCN-CABCVRRESA-N 0 0 354.454 2.544 20 10 FFCDRN C[C@@H](O)CNS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1 ZINC001194187552 1004675269 /nfs/dbraw/zinc/67/52/69/1004675269.db2.gz HEWOENIKVSQJSJ-ZIPFOMIPSA-N 0 0 362.455 2.827 20 10 FFCDRN CCn1c(C)nc([N+](=O)[O-])c1N1CCCN(c2ccc(OC)cc2)CC1 ZINC000807931395 1004721805 /nfs/dbraw/zinc/72/18/05/1004721805.db2.gz FAKCFTNEQWHIAV-UHFFFAOYSA-N 0 0 359.430 2.845 20 10 FFCDRN COC(=O)C[C@H]1COCCN1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000808213694 1004782134 /nfs/dbraw/zinc/78/21/34/1004782134.db2.gz UBPRCGLYKKAKQE-ZDUSSCGKSA-N 0 0 359.422 2.781 20 10 FFCDRN COC(=O)C[C@@H]1COCCN1Cc1c2c(ccc1O)oc1c2CCCC1 ZINC000808213693 1004782352 /nfs/dbraw/zinc/78/23/52/1004782352.db2.gz UBPRCGLYKKAKQE-CYBMUJFWSA-N 0 0 359.422 2.781 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCc1cc(=O)[nH][nH]1 ZINC000808258591 1004791804 /nfs/dbraw/zinc/79/18/04/1004791804.db2.gz QKQLHCNAFOKYAY-UHFFFAOYSA-N 0 0 352.438 2.788 20 10 FFCDRN CC(=O)N1CC[C@H](CNC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1 ZINC000808267992 1004793952 /nfs/dbraw/zinc/79/39/52/1004793952.db2.gz YKXYPKSDKZLJEO-MRXNPFEDSA-N 0 0 357.429 2.831 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc32)c1 ZINC000104901099 1004862571 /nfs/dbraw/zinc/86/25/71/1004862571.db2.gz HVXIDMWTXQTUGD-SECBINFHSA-N 0 0 356.338 2.676 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCc3ncccc3C)CC2)cc1 ZINC000105228425 1005009460 /nfs/dbraw/zinc/00/94/60/1005009460.db2.gz SGDBSQMPLIVEMC-UHFFFAOYSA-N 0 0 354.454 2.867 20 10 FFCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1cc(CCO)ccn1 ZINC001199764633 1005022598 /nfs/dbraw/zinc/02/25/98/1005022598.db2.gz RMFUBGWJQRQGMG-LJQANCHMSA-N 0 0 354.450 2.992 20 10 FFCDRN COc1cc(NC(=S)Nc2cccc(O)c2O)cc(OC)c1OC ZINC001199874819 1005050135 /nfs/dbraw/zinc/05/01/35/1005050135.db2.gz FOAAPGYABUVPDG-UHFFFAOYSA-N 0 0 350.396 2.933 20 10 FFCDRN COC(=O)c1ccc(CNC(=S)Nc2ccc(-n3cccn3)cc2)nc1 ZINC001200897854 1005135439 /nfs/dbraw/zinc/13/54/39/1005135439.db2.gz YVGJSPYPTURGEC-UHFFFAOYSA-N 0 0 367.434 2.541 20 10 FFCDRN CCOC(=O)N1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000776244133 1005312975 /nfs/dbraw/zinc/31/29/75/1005312975.db2.gz HBSCGGAAJUZDFA-HNNXBMFYSA-N 0 0 362.474 2.687 20 10 FFCDRN Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000776250301 1005313707 /nfs/dbraw/zinc/31/37/07/1005313707.db2.gz UFNKIRWSGXKALG-ACJLOTCBSA-N 0 0 371.485 2.937 20 10 FFCDRN O=C(NC[C@H](O)c1ccc(O)c(O)c1)Nc1ccccc1C(F)(F)F ZINC001202152603 1005318348 /nfs/dbraw/zinc/31/83/48/1005318348.db2.gz KOOVKLITSPPFHV-AWEZNQCLSA-N 0 0 356.300 2.972 20 10 FFCDRN CCCCNC(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O ZINC000006427960 1005491141 /nfs/dbraw/zinc/49/11/41/1005491141.db2.gz CNYWKXCKPIEINC-UHFFFAOYSA-N 0 0 365.385 2.535 20 10 FFCDRN COCCN(CCOC)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000108583827 1005685162 /nfs/dbraw/zinc/68/51/62/1005685162.db2.gz ADLLTUWPIJHCPN-UHFFFAOYSA-N 0 0 363.502 2.727 20 10 FFCDRN COc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2ccc(N)cc2)cc1F ZINC000850846572 1005845396 /nfs/dbraw/zinc/84/53/96/1005845396.db2.gz QNENQVVSTJGVQM-MRXNPFEDSA-N 0 0 357.385 2.719 20 10 FFCDRN COc1ccc(Cn2cc(C(=O)NCc3cccc(OC)c3O)cn2)cc1 ZINC000109622063 1005850077 /nfs/dbraw/zinc/85/00/77/1005850077.db2.gz MQWNLKRFJIZHEG-UHFFFAOYSA-N 0 0 367.405 2.584 20 10 FFCDRN CCOC(=O)c1c(C)n[nH]c1CN1CCCN(c2ccc(OC)cc2)CC1 ZINC000851732760 1005909620 /nfs/dbraw/zinc/90/96/20/1005909620.db2.gz CDDCTMIYHOJWCL-UHFFFAOYSA-N 0 0 372.469 2.616 20 10 FFCDRN Cn1ncc(C2CC2)c1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000851986745 1005929742 /nfs/dbraw/zinc/92/97/42/1005929742.db2.gz GEIWMJXBPVJLGO-UHFFFAOYSA-N 0 0 353.470 2.897 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N3CC[C@@H]4C[C@@H]4C3)cc2F)C[C@@H](C)O1 ZINC000851989486 1005930123 /nfs/dbraw/zinc/93/01/23/1005930123.db2.gz JIWDWNBKCNUFPN-MUIFIZLQSA-N 0 0 361.461 2.991 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1C ZINC000852005389 1005931867 /nfs/dbraw/zinc/93/18/67/1005931867.db2.gz TWLMPUNZZLFXHH-UHFFFAOYSA-N 0 0 369.465 2.840 20 10 FFCDRN C[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)c1nccs1 ZINC000852252659 1005956764 /nfs/dbraw/zinc/95/67/64/1005956764.db2.gz LKNRCOOBXAHHDU-CQSZACIVSA-N 0 0 374.510 2.707 20 10 FFCDRN O=C(C[C@H](O)Cc1ccccc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000813496674 1005965877 /nfs/dbraw/zinc/96/58/77/1005965877.db2.gz ZRGFXHYEJRIRGX-UXHICEINSA-N 0 0 369.461 2.894 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CC[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC000852386382 1006002199 /nfs/dbraw/zinc/00/21/99/1006002199.db2.gz DQPFEIMHYXNGBE-IKGGRYGDSA-N 0 0 361.486 2.730 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000852396216 1006005625 /nfs/dbraw/zinc/00/56/25/1006005625.db2.gz PNHIYLZAANLGOW-XLIONFOSSA-N 0 0 373.497 2.778 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H]3COCc4ccccc43)C2)cc1 ZINC000852448783 1006030655 /nfs/dbraw/zinc/03/06/55/1006030655.db2.gz MZAVXMIJALNEGA-UZLBHIALSA-N 0 0 367.449 2.845 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCC([C@@H]4CCOC4)CC3)C2)cc1 ZINC000852452086 1006033468 /nfs/dbraw/zinc/03/34/68/1006033468.db2.gz BDISYCOPXTZASO-QZTJIDSGSA-N 0 0 373.497 2.732 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H](CO)C3CCCCC3)C2)cc1 ZINC000852454087 1006034608 /nfs/dbraw/zinc/03/46/08/1006034608.db2.gz NMYOGNCLJBRQCG-LPHOPBHVSA-N 0 0 361.486 2.514 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NC[C@H]3Cc4ccccc43)C2)cc1 ZINC000852453069 1006034891 /nfs/dbraw/zinc/03/48/91/1006034891.db2.gz JOQOOJKJIVFPDO-IAGOWNOFSA-N 0 0 351.450 2.913 20 10 FFCDRN Cc1cc(C(=O)CN(C)C[C@@H]2COCCO2)c(C)n1-c1cccc(F)c1 ZINC000852495310 1006053856 /nfs/dbraw/zinc/05/38/56/1006053856.db2.gz JCDPVNVJVFMLCU-GOSISDBHSA-N 0 0 360.429 2.763 20 10 FFCDRN COC1CCN(c2ccc(Cn3cc(C[C@@H](O)C(C)(C)C)nn3)cc2)CC1 ZINC000881379472 1006073693 /nfs/dbraw/zinc/07/36/93/1006073693.db2.gz RUULMWCWUFPUHF-HXUWFJFHSA-N 0 0 372.513 2.891 20 10 FFCDRN CC[C@](C)(O)Cc1cn(Cc2ccc(N3CCC(OC)CC3)cc2)nn1 ZINC000881379963 1006073927 /nfs/dbraw/zinc/07/39/27/1006073927.db2.gz GMCUFMXUAJAVSD-FQEVSTJZSA-N 0 0 358.486 2.645 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2c(C3CCC3)cnn2C)c1 ZINC000852608991 1006103756 /nfs/dbraw/zinc/10/37/56/1006103756.db2.gz RGGTUQWJYBNIJH-GFCCVEGCSA-N 0 0 358.442 2.962 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@H]3CCOC3(C)C)CC2)cc1 ZINC000852687909 1006138898 /nfs/dbraw/zinc/13/88/98/1006138898.db2.gz XJGBKJSOPAZVCP-MRXNPFEDSA-N 0 0 361.486 2.732 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCc1cccc(Cl)c1 ZINC000775129087 1006155467 /nfs/dbraw/zinc/15/54/67/1006155467.db2.gz NLXFHNGBMFNLOF-UHFFFAOYSA-N 0 0 373.884 2.690 20 10 FFCDRN O=S(=O)(CCc1cccc2ccccc21)NCc1ccc(O)cc1O ZINC001187657414 1006187245 /nfs/dbraw/zinc/18/72/45/1006187245.db2.gz ULOXWJYRZDBDRC-UHFFFAOYSA-N 0 0 357.431 2.913 20 10 FFCDRN O=S(=O)(CCc1cccc2ccccc21)NCc1cccc(O)c1O ZINC001187658438 1006187819 /nfs/dbraw/zinc/18/78/19/1006187819.db2.gz LXNRMHPQQFMMLU-UHFFFAOYSA-N 0 0 357.431 2.913 20 10 FFCDRN COC(=O)[C@@H]1CC(F)(F)CN1C(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000881730107 1006200169 /nfs/dbraw/zinc/20/01/69/1006200169.db2.gz LMSBMZWSYXVHNS-AWEZNQCLSA-N 0 0 363.364 2.512 20 10 FFCDRN O=C1CCc2ccc(NCc3ccc(N4CCC(O)CC4)c(F)c3)nc21 ZINC000881824647 1006231062 /nfs/dbraw/zinc/23/10/62/1006231062.db2.gz PEHIHRJGBACTAK-UHFFFAOYSA-N 0 0 355.413 2.923 20 10 FFCDRN CCOC(=O)c1cc(N[C@H](C)c2ccc(N3CCOCC3)cc2)nc(C)n1 ZINC000881848022 1006242633 /nfs/dbraw/zinc/24/26/33/1006242633.db2.gz OTGBVKZBRLABSW-CQSZACIVSA-N 0 0 370.453 2.971 20 10 FFCDRN COCCn1ccc(C(=O)N[C@@H]2c3c(c(C)cc(C)c3O)CC2(C)C)n1 ZINC001187915836 1006298978 /nfs/dbraw/zinc/29/89/78/1006298978.db2.gz OEFHWWKWTPCVDM-GOSISDBHSA-N 0 0 357.454 2.905 20 10 FFCDRN O=C(Nc1cnc2ccnn2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000888910423 1006373693 /nfs/dbraw/zinc/37/36/93/1006373693.db2.gz BDPTZWPPKJJROM-INIZCTEOSA-N 0 0 367.409 2.648 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCCn2cc([N+](=O)[O-])cn2)cc1 ZINC000129946412 1006489791 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ZINC000800705433 1020478475 /nfs/dbraw/zinc/47/84/75/1020478475.db2.gz WJFQHGPKDYPHMR-UHFFFAOYSA-N 0 0 373.497 2.732 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1nnc(-c2ccc(F)cn2)o1 ZINC000902799837 1020484545 /nfs/dbraw/zinc/48/45/45/1020484545.db2.gz PBNNYVFUEFWVMI-UHFFFAOYSA-N 0 0 367.384 2.801 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3noc4c3CCCC4)CC2)cc1 ZINC000726561920 1020484669 /nfs/dbraw/zinc/48/46/69/1020484669.db2.gz ZIUSRHWXKNQWAR-UHFFFAOYSA-N 0 0 355.438 2.961 20 10 FFCDRN CCOc1ncccc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726561327 1020485238 /nfs/dbraw/zinc/48/52/38/1020485238.db2.gz MOTVMMXSUUOVKA-UHFFFAOYSA-N 0 0 355.438 2.888 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)CN3CCc4ccccc43)CC2)cc1 ZINC000726563228 1020485262 /nfs/dbraw/zinc/48/52/62/1020485262.db2.gz WKSSVUYEHRYKAU-UHFFFAOYSA-N 0 0 365.477 2.843 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCc3ccc(OC)nc3)CC2)cc1 ZINC000726612084 1020494276 /nfs/dbraw/zinc/49/42/76/1020494276.db2.gz XPFODPPKPBVLIE-UHFFFAOYSA-N 0 0 370.453 2.567 20 10 FFCDRN Cc1cc(C(=O)COC(=O)C(C)(C)CO)c(C)n1-c1ccc2c(c1)OCO2 ZINC000726666920 1020504207 /nfs/dbraw/zinc/50/42/07/1020504207.db2.gz DHZPCZKDSPVVOP-UHFFFAOYSA-N 0 0 373.405 2.567 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)C3(C)CCOCC3)cc2F)C[C@H](C)O1 ZINC000726754139 1020517873 /nfs/dbraw/zinc/51/78/73/1020517873.db2.gz KAIYPBFGHULHAS-GJZGRUSLSA-N 0 0 364.461 2.872 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000803089965 1020613189 /nfs/dbraw/zinc/61/31/89/1020613189.db2.gz ODNXJFVKNGQHKQ-HWPZZCPQSA-N 0 0 369.339 2.897 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)Cn1ncc2ccccc21 ZINC000803089751 1020613391 /nfs/dbraw/zinc/61/33/91/1020613391.db2.gz IFMKKDRFPMPDOK-ZIAGYGMSSA-N 0 0 353.422 2.831 20 10 FFCDRN COc1cc(N2CCN(C(=O)C3CC(C)(C)C3)CC2)cc(OC)c1OC ZINC000803105847 1020621106 /nfs/dbraw/zinc/62/11/06/1020621106.db2.gz RXARZNFQJHLCTR-UHFFFAOYSA-N 0 0 362.470 2.797 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)OC[C@H]1CN(C2CCCCC2)C(=O)O1 ZINC000828949537 1032921154 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FFCDRN CCn1cnc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)c1 ZINC000829027979 1032955726 /nfs/dbraw/zinc/95/57/26/1032955726.db2.gz WTIYQGWCYWZXIV-ZDUSSCGKSA-N 0 0 364.396 2.903 20 10 FFCDRN COc1cccc(CNC(=O)c2cc3c([nH]c2=O)CCC(C)(C)C3)c1O ZINC001116338459 1021171688 /nfs/dbraw/zinc/17/16/88/1021171688.db2.gz VFDZTPRICVPJKV-UHFFFAOYSA-N 0 0 356.422 2.946 20 10 FFCDRN Cc1cc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cc(C)n1 ZINC001116361750 1021179244 /nfs/dbraw/zinc/17/92/44/1021179244.db2.gz FZVGOHHDNSEIFG-UHFFFAOYSA-N 0 0 356.495 2.995 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1ncoc1[C@H]1CCCO1 ZINC001116794284 1021419308 /nfs/dbraw/zinc/41/93/08/1021419308.db2.gz QWMDPAYPSNFILQ-LLVKDONJSA-N 0 0 367.199 2.924 20 10 FFCDRN CC(C)(C)OC(=O)N1C2CCC1(C(=O)NCc1ccc(O)c(O)c1)CC2 ZINC000934943268 1021479559 /nfs/dbraw/zinc/47/95/59/1021479559.db2.gz HCLJUCCQCDFSHB-UHFFFAOYSA-N 0 0 362.426 2.646 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)F)c1 ZINC000934941532 1021479628 /nfs/dbraw/zinc/47/96/28/1021479628.db2.gz FOUSXIFQPLHXFI-RHSMWYFYSA-N 0 0 363.360 2.902 20 10 FFCDRN O=C(Nc1ccnc2ccnn21)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000934994096 1021513202 /nfs/dbraw/zinc/51/32/02/1021513202.db2.gz MHINEVAPKRLZQR-HNNXBMFYSA-N 0 0 367.409 2.648 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1cccc(F)c1F ZINC001116976106 1021514072 /nfs/dbraw/zinc/51/40/72/1021514072.db2.gz LKUGSAGVHWHNPE-LBPRGKRZSA-N 0 0 361.392 2.524 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1cccc(F)c1F ZINC001116976104 1021514576 /nfs/dbraw/zinc/51/45/76/1021514576.db2.gz LKUGSAGVHWHNPE-GFCCVEGCSA-N 0 0 361.392 2.524 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)CC2(C(F)(F)F)CC2)cc1 ZINC001117293356 1021641396 /nfs/dbraw/zinc/64/13/96/1021641396.db2.gz IAUZHXJWPVUOPL-UHFFFAOYSA-N 0 0 372.387 2.987 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC1CCC(F)(F)CC1 ZINC001117308361 1021648119 /nfs/dbraw/zinc/64/81/19/1021648119.db2.gz SSCACNGVINBEOJ-UHFFFAOYSA-N 0 0 367.440 2.795 20 10 FFCDRN C[C@H](NC(=O)CCCN(C)C(=O)c1ccncc1)c1ccc(N(C)C)cc1 ZINC000935461387 1021723416 /nfs/dbraw/zinc/72/34/16/1021723416.db2.gz BLMABXHKAUSMIG-INIZCTEOSA-N 0 0 368.481 2.877 20 10 FFCDRN COc1ccccc1N(CCO)Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC001117604567 1021775318 /nfs/dbraw/zinc/77/53/18/1021775318.db2.gz WITPLWVITRHJNH-UHFFFAOYSA-N 0 0 373.472 2.585 20 10 FFCDRN COC(=O)[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)[C@H]1C ZINC000829147595 1033027506 /nfs/dbraw/zinc/02/75/06/1033027506.db2.gz WZABBRWXXWPJNK-XJKSGUPXSA-N 0 0 373.428 2.694 20 10 FFCDRN Oc1cc2c(cc1CN1CCN(C/C=C/c3ccccc3)CC1)OCO2 ZINC000042909842 1022201062 /nfs/dbraw/zinc/20/10/62/1022201062.db2.gz BXODAPZCSQAWNZ-QPJJXVBHSA-N 0 0 352.434 2.952 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000115651419 1022341086 /nfs/dbraw/zinc/34/10/86/1022341086.db2.gz YGZSLQZWZPGXEQ-UHFFFAOYSA-N 0 0 360.502 2.507 20 10 FFCDRN COc1ccc(N(C)CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)cc1OC ZINC000115894404 1022365411 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O=C(NCc1ccc(O)c(O)c1)C1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000778918238 1022527213 /nfs/dbraw/zinc/52/72/13/1022527213.db2.gz HQCUMGHZDYBLGD-UHFFFAOYSA-N 0 0 369.417 2.997 20 10 FFCDRN CCNC(=O)N1CC[C@H](NC(=O)c2ccc(-n3c(C)ccc3C)cc2)C1 ZINC000158571409 1022540804 /nfs/dbraw/zinc/54/08/04/1022540804.db2.gz CPHVRWVXSNUICR-KRWDZBQOSA-N 0 0 354.454 2.628 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1nccc2occc21 ZINC000829264997 1033066179 /nfs/dbraw/zinc/06/61/79/1033066179.db2.gz VWIAYCABJKQSOM-UHFFFAOYSA-N 0 0 369.396 2.858 20 10 FFCDRN COc1cc(OC)c(CCNC(=O)N2Cc3cccc(O)c3C2)c(OC)c1 ZINC001119137438 1022584189 /nfs/dbraw/zinc/58/41/89/1022584189.db2.gz AMUDGUVSWXBZGJ-UHFFFAOYSA-N 0 0 372.421 2.686 20 10 FFCDRN COC(=O)[C@@H](NCc1cc(C)cc(OC)c1O)c1ccc2c(c1)CCO2 ZINC001119444927 1022771135 /nfs/dbraw/zinc/77/11/35/1022771135.db2.gz FJSSYJOGCDTTEH-SFHVURJKSA-N 0 0 357.406 2.648 20 10 FFCDRN CC(C)(C)[C@@H]1C[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001119449615 1022776617 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Cc1cccnc1[C@@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)C(C)(C)C ZINC001119875516 1023143081 /nfs/dbraw/zinc/14/30/81/1023143081.db2.gz FZHFRSLJWFXHHZ-GOSISDBHSA-N 0 0 367.449 2.841 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)COCCNC(=O)c1ccccc1 ZINC000752559578 1023161887 /nfs/dbraw/zinc/16/18/87/1023161887.db2.gz JUZVOKZYMJZDMK-UHFFFAOYSA-N 0 0 370.449 2.577 20 10 FFCDRN CCCN1CCCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1=O ZINC000189026106 1023191743 /nfs/dbraw/zinc/19/17/43/1023191743.db2.gz KMGTVFKLJSSHQM-UHFFFAOYSA-N 0 0 354.454 2.574 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\c1cnccc1C ZINC000752754769 1023200313 /nfs/dbraw/zinc/20/03/13/1023200313.db2.gz GUJBOCASQMVNEW-UTCJRWHESA-N 0 0 374.824 2.964 20 10 FFCDRN CC(C)n1nccc1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000076032075 1023214570 /nfs/dbraw/zinc/21/45/70/1023214570.db2.gz OXFAZJCJQXPWPX-UHFFFAOYSA-N 0 0 357.458 2.965 20 10 FFCDRN C[C@H](N(C)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)C1(C)CC1 ZINC000752876645 1023218629 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363.339 2.795 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2=O)c1 ZINC000840882175 1029903562 /nfs/dbraw/zinc/90/35/62/1029903562.db2.gz MTZBPZNYLLDRRD-YVEFUNNKSA-N 0 0 372.396 2.774 20 10 FFCDRN COc1c(O)c(CNc2cccc([C@@H]3CCC(=O)N3)c2)ccc1[N+](=O)[O-] ZINC000840971775 1029953637 /nfs/dbraw/zinc/95/36/37/1029953637.db2.gz BXZVTQXZIRVKBT-AWEZNQCLSA-N 0 0 357.366 2.872 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NC[C@H]3COC(C)(C)O3)cc2)CC1 ZINC000783215853 1029975788 /nfs/dbraw/zinc/97/57/88/1029975788.db2.gz PVVMFIBSWWXRAB-SFHVURJKSA-N 0 0 361.486 2.874 20 10 FFCDRN COc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2ccc(N)cc2)cc1OC ZINC000841015282 1029978569 /nfs/dbraw/zinc/97/85/69/1029978569.db2.gz WKSGFWDQIQBOCJ-INIZCTEOSA-N 0 0 369.421 2.588 20 10 FFCDRN C[C@H](C[C@H](C)O)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000783237209 1029984289 /nfs/dbraw/zinc/98/42/89/1029984289.db2.gz GWNFSUSZLYONGY-RDBSUJKOSA-N 0 0 371.428 2.715 20 10 FFCDRN CCc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1S(C)(=O)=O ZINC001165498790 1030000755 /nfs/dbraw/zinc/00/07/55/1030000755.db2.gz RVLDKCASBJYRAX-UHFFFAOYSA-N 0 0 367.854 2.942 20 10 FFCDRN COc1cccc([C@@H]2C[C@H](C)CN2C(=O)C(=O)Nc2ccc(N)cc2)c1 ZINC000841088381 1030028411 /nfs/dbraw/zinc/02/84/11/1030028411.db2.gz ZQQIKUONAWMZSZ-UGSOOPFHSA-N 0 0 353.422 2.826 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CCC(Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000841088864 1030028477 /nfs/dbraw/zinc/02/84/77/1030028477.db2.gz DONOJTBVUZNPMQ-UHFFFAOYSA-N 0 0 373.403 2.967 20 10 FFCDRN CCOc1ccc(C[C@H](C)CNC(=O)C(=O)Nc2ccc(N)cc2)cc1 ZINC000841140526 1030068558 /nfs/dbraw/zinc/06/85/58/1030068558.db2.gz VKKWQXOQQUPMHC-AWEZNQCLSA-N 0 0 355.438 2.601 20 10 FFCDRN CCCCOc1ccccc1NC(=O)C(=O)NCCc1ccc(N)cc1 ZINC000841175935 1030092687 /nfs/dbraw/zinc/09/26/87/1030092687.db2.gz NHRZYVGMKYRWGX-UHFFFAOYSA-N 0 0 355.438 2.745 20 10 FFCDRN COc1cc2c(cc1NC(=O)NCCc1ccc(N)cc1)NC(=O)CC2 ZINC000841192862 1030101587 /nfs/dbraw/zinc/10/15/87/1030101587.db2.gz ZRIVGLMWBLQIMP-UHFFFAOYSA-N 0 0 354.410 2.526 20 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/nfs/dbraw/zinc/32/07/29/1030320729.db2.gz MFMYMSMFLZQLTN-UHFFFAOYSA-N 0 0 358.417 2.652 20 10 FFCDRN Cc1cc(C)c(CNC(=O)[C@@H]2CC(=O)N(Cc3cccs3)C2)c(O)c1 ZINC001142362280 1030349542 /nfs/dbraw/zinc/34/95/42/1030349542.db2.gz FNFUXZJJBYKSEO-CQSZACIVSA-N 0 0 358.463 2.735 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1nnc2ccccn21 ZINC000841621442 1030374474 /nfs/dbraw/zinc/37/44/74/1030374474.db2.gz GVLHSNGUEYPBAJ-CQSZACIVSA-N 0 0 352.442 2.856 20 10 FFCDRN Cc1cc(CCNC(=O)c2ccn3nnnc3c2)c(C)n1-c1ccccc1 ZINC001534550116 1069660848 /nfs/dbraw/zinc/66/08/48/1069660848.db2.gz VAVYQNRCJXWJKR-UHFFFAOYSA-N 0 0 360.421 2.504 20 10 FFCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1 ZINC000841694250 1030410223 /nfs/dbraw/zinc/41/02/23/1030410223.db2.gz WOZFHTJOCATHMA-XHSDSOJGSA-N 0 0 360.498 2.903 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cc(N(C)C)ncn1 ZINC000841702809 1030415300 /nfs/dbraw/zinc/41/53/00/1030415300.db2.gz HAAVIUNGTOIOPH-CQSZACIVSA-N 0 0 356.474 2.670 20 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/nfs/dbraw/zinc/56/31/73/1030563173.db2.gz WRXPLNHXBKYAKH-IBGZPJMESA-N 0 0 369.465 2.908 20 10 FFCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001142517383 1030567107 /nfs/dbraw/zinc/56/71/07/1030567107.db2.gz LHTQDDUVLCANBZ-UHFFFAOYSA-N 0 0 360.408 2.661 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)N1C(=O)N[C@H](c2ccc(O)cc2)C1=O ZINC000842264775 1030663293 /nfs/dbraw/zinc/66/32/93/1030663293.db2.gz NFEJIGLMGJMZFK-IFXJQAMLSA-N 0 0 367.449 2.991 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)Nc2ccc(C)c(F)c2)cc1 ZINC000784561450 1030684642 /nfs/dbraw/zinc/68/46/42/1030684642.db2.gz RHEKYXFXUFEZNK-UHFFFAOYSA-N 0 0 360.385 2.761 20 10 FFCDRN NC(=O)c1ccc(Nc2ccc(OCCOc3ccc(N)cc3)cc2)cn1 ZINC001203444749 1030700408 /nfs/dbraw/zinc/70/04/08/1030700408.db2.gz YGEMTLFPYAQFSU-UHFFFAOYSA-N 0 0 364.405 2.964 20 10 FFCDRN COc1ncc(Nc2c(N)ccc3c2C(=O)c2ccccc2C3=O)cc1N ZINC001203508991 1030735263 /nfs/dbraw/zinc/73/52/63/1030735263.db2.gz SIBZUBGIXCJHFM-UHFFFAOYSA-N 0 0 360.373 2.774 20 10 FFCDRN CCNC(=O)COC1CC[NH+](Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203586910 1030772000 /nfs/dbraw/zinc/77/20/00/1030772000.db2.gz WAGVPANUEJGBEX-UHFFFAOYSA-N 0 0 361.269 2.816 20 10 FFCDRN COC[C@H]1Cn2nccc2CN(Cc2cc(Br)ccc2O)C1 ZINC001203642240 1030801039 /nfs/dbraw/zinc/80/10/39/1030801039.db2.gz GEKOESAVPPXPBC-GFCCVEGCSA-N 0 0 366.259 2.630 20 10 FFCDRN CCOC(=O)CN(Cc1ccc(OC)cc1)Cc1cc(OC)ccc1O ZINC001203678397 1030823526 /nfs/dbraw/zinc/82/35/26/1030823526.db2.gz NINBZPVUZZOANZ-UHFFFAOYSA-N 0 0 359.422 2.975 20 10 FFCDRN O=C1C[C@]2(CN1Cc1cccnc1)CCCC[N@H+]2Cc1ccc(O)c(O)c1 ZINC001203876366 1030949493 /nfs/dbraw/zinc/94/94/93/1030949493.db2.gz BPBFBHCRZWGRCG-NRFANRHFSA-N 0 0 367.449 2.650 20 10 FFCDRN Oc1ccc(CN2CCO[C@H]3[C@H]2CC[C@H]3COCc2cccnc2)cc1O ZINC001203879730 1030956466 /nfs/dbraw/zinc/95/64/66/1030956466.db2.gz ZIJFPUPMOCQIEV-WAOWUJCRSA-N 0 0 370.449 2.689 20 10 FFCDRN COC(=O)c1ccc(CN2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)cc1 ZINC001203934343 1030993139 /nfs/dbraw/zinc/99/31/39/1030993139.db2.gz 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ZINC001204345072 1031240151 /nfs/dbraw/zinc/24/01/51/1031240151.db2.gz GSMHARVEYDKMEW-UHFFFAOYSA-N 0 0 358.438 2.827 20 10 FFCDRN COc1cc(CN2CCN(c3noc4ccccc43)CC2)cc(O)c1O ZINC001204343449 1031241310 /nfs/dbraw/zinc/24/13/10/1031241310.db2.gz QSORTUPSTKBTPT-UHFFFAOYSA-N 0 0 355.394 2.570 20 10 FFCDRN COc1cc(CN2CC[C@H]3CN(C(=O)OC(C)(C)C)[C@H]3C2)cc(O)c1O ZINC001204347520 1031243070 /nfs/dbraw/zinc/24/30/70/1031243070.db2.gz VNDDQMFGHNCWOZ-KBPBESRZSA-N 0 0 364.442 2.548 20 10 FFCDRN COc1cc(CN2C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C2)cc(O)c1O ZINC001204346684 1031243792 /nfs/dbraw/zinc/24/37/92/1031243792.db2.gz VQUZYMSPACXLGZ-BETUJISGSA-N 0 0 366.458 2.936 20 10 FFCDRN COc1cccnc1O[C@H]1CCCN(Cc2cc(O)c(O)c(OC)c2)C1 ZINC001204349709 1031246377 /nfs/dbraw/zinc/24/63/77/1031246377.db2.gz ACCWACICCLOLCT-AWEZNQCLSA-N 0 0 360.410 2.553 20 10 FFCDRN COc1cc(CN2C[C@@H](NC(=O)OC(C)(C)C)C[C@H]2C)cc(O)c1O ZINC001204351557 1031247273 /nfs/dbraw/zinc/24/72/73/1031247273.db2.gz UOMRYUIDFDLQKS-YPMHNXCESA-N 0 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ZINC001323527474 1045625831 /nfs/dbraw/zinc/62/58/31/1045625831.db2.gz USISMKXZJBQSKW-IBGZPJMESA-N 0 0 358.438 2.680 20 10 FFCDRN COc1cc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)ccn1 ZINC001321887141 1045855837 /nfs/dbraw/zinc/85/58/37/1045855837.db2.gz CCNFQURANDNZMK-KBPBESRZSA-N 0 0 373.428 2.773 20 10 FFCDRN Cc1n[nH]c(=O)c(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1C ZINC001321895847 1045859409 /nfs/dbraw/zinc/85/94/09/1045859409.db2.gz BOYIRZHYBZXSES-UHFFFAOYSA-N 0 0 369.469 2.739 20 10 FFCDRN NC(=O)CCNC(=O)c1ccc(NCc2ccc(N3CCCC3)cc2)cc1 ZINC001325010367 1046334207 /nfs/dbraw/zinc/33/42/07/1046334207.db2.gz JHDNGSYMLHGFQA-UHFFFAOYSA-N 0 0 366.465 2.504 20 10 FFCDRN Cc1cc(C)cc(C[C@@H](C)NC(=O)C(=O)N(C)Cc2ccccc2O)c1 ZINC001325115905 1046378080 /nfs/dbraw/zinc/37/80/80/1046378080.db2.gz ANXKZUUHVIPBOW-MRXNPFEDSA-N 0 0 354.450 2.715 20 10 FFCDRN CCS[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001325178323 1046405986 /nfs/dbraw/zinc/40/59/86/1046405986.db2.gz SYNDESCCXHAGJK-HOCLYGCPSA-N 0 0 350.484 2.531 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)N(C)Cc1ccccc1O)c1ccc(OC)cc1 ZINC001325393308 1046493778 /nfs/dbraw/zinc/49/37/78/1046493778.db2.gz VTXVQPXWASGAAR-QGZVFWFLSA-N 0 0 356.422 2.627 20 10 FFCDRN Cn1c2ccc(NCc3ccc(N4CCN(C)CC4)c(F)c3)cc2oc1=O ZINC001325439367 1046508964 /nfs/dbraw/zinc/50/89/64/1046508964.db2.gz WKBNLKHSOHKFDI-UHFFFAOYSA-N 0 0 370.428 2.635 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC(F)(F)CC1 ZINC001325761222 1046632891 /nfs/dbraw/zinc/63/28/91/1046632891.db2.gz CLQKHWSKWBTMOP-ZDUSSCGKSA-N 0 0 371.380 2.514 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2cc(Cl)cnc2Cl)c(O)c1 ZINC001475235782 1046743485 /nfs/dbraw/zinc/74/34/85/1046743485.db2.gz QKSXIQYKMGNCJQ-UHFFFAOYSA-N 0 0 363.222 2.581 20 10 FFCDRN CNc1ccc([N+](=O)[O-])cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001327136196 1047204113 /nfs/dbraw/zinc/20/41/13/1047204113.db2.gz XWVNEBWZMVZNJX-UHFFFAOYSA-N 0 0 356.382 2.742 20 10 FFCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc(CN2CCOCC2)o1 ZINC001331771361 1048104336 /nfs/dbraw/zinc/10/43/36/1048104336.db2.gz UQIPHCVEJVUKKK-UHFFFAOYSA-N 0 0 362.773 2.554 20 10 FFCDRN CO[C@@H](COC(=O)c1csc(Cc2ccc(N)cc2)n1)[C@H]1CCOC1 ZINC001327966223 1048112581 /nfs/dbraw/zinc/11/25/81/1048112581.db2.gz FLRRFRJKJRRVHY-BBRMVZONSA-N 0 0 362.451 2.524 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 ZINC001290487393 1048163032 /nfs/dbraw/zinc/16/30/32/1048163032.db2.gz WYDRPNLKEPTZQV-AWEZNQCLSA-N 0 0 351.406 2.923 20 10 FFCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@H]1C[NH2+]CCC1(F)F ZINC001331913787 1048168838 /nfs/dbraw/zinc/16/88/38/1048168838.db2.gz BFLGKNABBDSTIC-SECBINFHSA-N 0 0 368.211 2.743 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)c1cc(C)nc(CO)n1 ZINC001328582514 1048366241 /nfs/dbraw/zinc/36/62/41/1048366241.db2.gz AIKJPVKQKYODSS-UHFFFAOYSA-N 0 0 352.232 2.772 20 10 FFCDRN CC(C)C[C@H](C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1)CC(=O)[O-] ZINC001328616405 1048382942 /nfs/dbraw/zinc/38/29/42/1048382942.db2.gz VTVNDROALVSKSN-KRWDZBQOSA-N 0 0 365.493 2.804 20 10 FFCDRN Cc1ccc(O)c(CNS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)c1 ZINC001328768294 1048458478 /nfs/dbraw/zinc/45/84/78/1048458478.db2.gz DHXAFHHPRDMGAT-UHFFFAOYSA-N 0 0 350.396 2.704 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@@H]1CCCC(F)(F)C1 ZINC001329249252 1048634643 /nfs/dbraw/zinc/63/46/43/1048634643.db2.gz QAETYKUCOJZKMA-OAHLLOKOSA-N 0 0 365.424 2.597 20 10 FFCDRN C[C@H](NC(=O)C(=O)N[C@H](c1ccncc1)C1CC1)c1ccc(N(C)C)cc1 ZINC001332981052 1048656218 /nfs/dbraw/zinc/65/62/18/1048656218.db2.gz NZVXYXBTJWTESG-LIRRHRJNSA-N 0 0 366.465 2.592 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H](C)Cc3c(C)n[nH]c3C)C2)cc1 ZINC001329352801 1048681363 /nfs/dbraw/zinc/68/13/63/1048681363.db2.gz XSYZNPDYKWWKII-BBRMVZONSA-N 0 0 356.470 2.609 20 10 FFCDRN CSC[C@@H](CCO)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001329371193 1048690165 /nfs/dbraw/zinc/69/01/65/1048690165.db2.gz FAUZMUIKQKMFTF-GOSISDBHSA-N 0 0 374.506 2.679 20 10 FFCDRN O=C([O-])c1cnn2c1[nH]c(C[N@@H+]1CCC[C@@H](c3ccccc3)CC1)cc2=O ZINC000738703513 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CN(C)C(=O)Cc1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001541034307 1071046028 /nfs/dbraw/zinc/04/60/28/1071046028.db2.gz ZPIJRYKABLXNAZ-UHFFFAOYSA-N 0 0 353.382 2.732 20 10 FFCDRN O=C(NC[C@]12C[C@H]1CCC2)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001333808946 1049127883 /nfs/dbraw/zinc/12/78/83/1049127883.db2.gz WIOXOGQICRBTHN-IERDGZPVSA-N 0 0 368.433 2.820 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H]3C[C@@H]4[C@H](C3)C4(F)F)C2)cc1 ZINC001330579176 1049213804 /nfs/dbraw/zinc/21/38/04/1049213804.db2.gz YPZNVFTWULLWRZ-RKLWJJNISA-N 0 0 351.397 2.617 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCOC12CCCCC2 ZINC001334138878 1049270231 /nfs/dbraw/zinc/27/02/31/1049270231.db2.gz AAPUOAQUMWVLHE-IBGZPJMESA-N 0 0 373.497 2.814 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H]3CCc4cccnc43)CC2)cc1 ZINC001334350269 1049384207 /nfs/dbraw/zinc/38/42/07/1049384207.db2.gz XGRKNVGIDKAIKM-IBGZPJMESA-N 0 0 351.450 2.859 20 10 FFCDRN O=C([O-])C[C@H](C[NH2+]Cc1c(O)cccc1Br)c1ccncc1 ZINC001334409524 1049411832 /nfs/dbraw/zinc/41/18/32/1049411832.db2.gz ZLGCTFUSVHWHKO-GFCCVEGCSA-N 0 0 365.227 2.898 20 10 FFCDRN O=C(NC[C@H](CO)Cc1ccccc1)c1cc2cc(O)c(O)cc2s1 ZINC001293927806 1049655090 /nfs/dbraw/zinc/65/50/90/1049655090.db2.gz ICCPCRDHZWWRNN-CYBMUJFWSA-N 0 0 357.431 2.894 20 10 FFCDRN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)cnc1Br ZINC001294914173 1049836472 /nfs/dbraw/zinc/83/64/72/1049836472.db2.gz WXUGVKVULCMQBI-UHFFFAOYSA-N 0 0 351.200 2.536 20 10 FFCDRN CN(CC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1[N+](=O)[O-] ZINC000742597266 1049920736 /nfs/dbraw/zinc/92/07/36/1049920736.db2.gz RZIWQCIOPJOEAZ-UHFFFAOYSA-N 0 0 368.437 2.730 20 10 FFCDRN Cc1ccc(Cn2cccc(NC(=O)Cc3ccc(O)c(O)c3)c2=O)cc1 ZINC001295824064 1049989223 /nfs/dbraw/zinc/98/92/23/1049989223.db2.gz CODSIGZQRUZCFJ-UHFFFAOYSA-N 0 0 364.401 2.797 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)Nc1ccc2c(c1)CCC(=O)N2CC1CC1 ZINC001296756097 1050089982 /nfs/dbraw/zinc/08/99/82/1050089982.db2.gz OILPMTIKRQXVIR-UHFFFAOYSA-N 0 0 366.417 2.968 20 10 FFCDRN C[C@@H](O)c1ncc(C(=O)NCc2cccc(Br)c2O)s1 ZINC001297441412 1050167954 /nfs/dbraw/zinc/16/79/54/1050167954.db2.gz WFBFOJDFOCWIEV-SSDOTTSWSA-N 0 0 357.229 2.595 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)C(C)(C)NC(=O)OC(C)(C)C ZINC001297563180 1050220445 /nfs/dbraw/zinc/22/04/45/1050220445.db2.gz ZAROIZOWRXMOQI-UHFFFAOYSA-N 0 0 357.447 2.797 20 10 FFCDRN Cn1nccc1C[C@@H]1CCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC001339840207 1050260647 /nfs/dbraw/zinc/26/06/47/1050260647.db2.gz XQHURZILTHIJLR-FQEVSTJZSA-N 0 0 367.497 2.937 20 10 FFCDRN CCn1c(-c2nc([C@@H]3C[C@@H]3C)no2)nnc1N(C)Cc1ccccc1O ZINC001339953121 1050367624 /nfs/dbraw/zinc/36/76/24/1050367624.db2.gz TZWIFKGCHHQUDV-WCQYABFASA-N 0 0 354.414 2.813 20 10 FFCDRN CN(C[C@@H]1CCCCO1)c1nnc(C2Sc3ncccc3C2=O)n1C ZINC001340095500 1050499386 /nfs/dbraw/zinc/49/93/86/1050499386.db2.gz LLIYZNSOEPUPHL-NSHDSACASA-N 0 0 359.455 2.803 20 10 FFCDRN Cc1cc(CC(=O)N2CC(C)(C(N)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001299893732 1050631694 /nfs/dbraw/zinc/63/16/94/1050631694.db2.gz XQZHMGHQFACYAE-UHFFFAOYSA-N 0 0 359.857 2.624 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCC(CO)CC2)n1Cc1ccccc1 ZINC001342181905 1050774102 /nfs/dbraw/zinc/77/41/02/1050774102.db2.gz FRFZWIJJGKBGHG-UHFFFAOYSA-N 0 0 370.478 2.969 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3c(C)cc(C)oc3=O)C2)cc1 ZINC001340768730 1051121880 /nfs/dbraw/zinc/12/18/80/1051121880.db2.gz HOWXHUKBIRSYBX-OAHLLOKOSA-N 0 0 356.422 2.522 20 10 FFCDRN CC(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccccc1O ZINC001303076675 1051270010 /nfs/dbraw/zinc/27/00/10/1051270010.db2.gz PPTDBNPFQHLGMU-HNNXBMFYSA-N 0 0 357.458 2.617 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCc1ccc2c(c1)OCCCO2 ZINC001303741787 1051438027 /nfs/dbraw/zinc/43/80/27/1051438027.db2.gz QVMOOMCJTGFYND-DAXSKMNVSA-N 0 0 355.390 2.631 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)C1(n2cnnn2)CCCCC1 ZINC001304091060 1051530852 /nfs/dbraw/zinc/53/08/52/1051530852.db2.gz VODJVKAOQUHRTA-UHFFFAOYSA-N 0 0 351.410 2.508 20 10 FFCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCC[C@@H](CO)[C@H]1C ZINC001343025987 1051642430 /nfs/dbraw/zinc/64/24/30/1051642430.db2.gz MFECRWSHNZYQIF-OLZOCXBDSA-N 0 0 350.488 2.965 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCN2C)n1C[C@H]1CCCO1 ZINC001343155894 1051779346 /nfs/dbraw/zinc/77/93/46/1051779346.db2.gz PTWLKWMTXYWXDR-IAGOWNOFSA-N 0 0 371.485 2.566 20 10 FFCDRN CCc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccc(N(C)C)cc1C ZINC001306106837 1052021717 /nfs/dbraw/zinc/02/17/17/1052021717.db2.gz ALCBJBBPUJESSU-HOTGVXAUSA-N 0 0 357.502 2.877 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CC(C)(C)OC(C)(C)C1 ZINC001343261238 1052112128 /nfs/dbraw/zinc/11/21/28/1052112128.db2.gz GKYVWENCTPRODO-UHFFFAOYSA-N 0 0 366.487 2.752 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](CC(F)(F)F)C(C)C ZINC001343292071 1052139205 /nfs/dbraw/zinc/13/92/05/1052139205.db2.gz BXYWYPJGHODVLL-OAHLLOKOSA-N 0 0 373.419 2.770 20 10 FFCDRN Cc1cc(CC(=O)O[C@@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC001343385534 1052198309 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COc1ccc(N2CCN(c3nc4ccccn4c3[N+](=O)[O-])CC2)cc1F ZINC000754025558 1052443474 /nfs/dbraw/zinc/44/34/74/1052443474.db2.gz ICPXWTZBHSNCRY-UHFFFAOYSA-N 0 0 371.372 2.717 20 10 FFCDRN OC1(C(F)(F)CNCc2ccc(N3CCOCC3)cc2)CCCCC1 ZINC001308548087 1052467760 /nfs/dbraw/zinc/46/77/60/1052467760.db2.gz LSVXLDQFSMVOAD-UHFFFAOYSA-N 0 0 354.441 2.943 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)C[C@@H]3CNc4ccccc43)C2)cc1 ZINC001343973881 1052522303 /nfs/dbraw/zinc/52/23/03/1052522303.db2.gz HVFOSUVXRRHQOO-CVEARBPZSA-N 0 0 351.450 2.990 20 10 FFCDRN CCC[C@@H](C)CS(=O)(=O)N1CCN(c2ccc(OCC)cc2)CC1 ZINC001309365911 1052606207 /nfs/dbraw/zinc/60/62/07/1052606207.db2.gz SFZYHJHDSJSMQK-MRXNPFEDSA-N 0 0 354.516 2.973 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnnn1C1CCOCC1 ZINC001334844703 1053111388 /nfs/dbraw/zinc/11/13/88/1053111388.db2.gz WACRNESCJSSIKD-UHFFFAOYSA-N 0 0 356.474 2.651 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)COc3ccccc3F)CC2)cc1 ZINC001335134713 1053229715 /nfs/dbraw/zinc/22/97/15/1053229715.db2.gz 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O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)NCc1cc(O)ccc1O ZINC001455357587 1059771469 /nfs/dbraw/zinc/77/14/69/1059771469.db2.gz UAVCFXOTMHXXCH-UHFFFAOYSA-N 0 0 366.204 2.911 20 10 FFCDRN O=C(CCCc1nc2ccccc2c(=O)[nH]1)NCc1c(O)cccc1F ZINC001456086933 1060010316 /nfs/dbraw/zinc/01/03/16/1060010316.db2.gz HSJPMFIJGUTTIE-UHFFFAOYSA-N 0 0 355.369 2.819 20 10 FFCDRN Cc1cc(N(C)C)ccc1Cn1c([C@H]2CCOC2)nnc1N1CC=CCC1 ZINC001510673778 1060261704 /nfs/dbraw/zinc/26/17/04/1060261704.db2.gz NXKKBAJESQNHHB-SFHVURJKSA-N 0 0 367.497 2.971 20 10 FFCDRN CN(C)c1ccc(CNc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)cc1F ZINC000848563257 1060282450 /nfs/dbraw/zinc/28/24/50/1060282450.db2.gz SZRQWLJDCUIHRA-HXUWFJFHSA-N 0 0 370.428 2.901 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2CCC2)n1CCc1cn[nH]c1 ZINC001517145647 1060369149 /nfs/dbraw/zinc/36/91/49/1060369149.db2.gz BBZFBEIEJIWMHH-UHFFFAOYSA-N 0 0 352.442 2.853 20 10 FFCDRN CCC[C@H]1C(=O)NCCN1C(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001521391761 1060571144 /nfs/dbraw/zinc/57/11/44/1060571144.db2.gz 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CCOC(=O)[C@@H]1CCCN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C1 ZINC000765536128 1061548594 /nfs/dbraw/zinc/54/85/94/1061548594.db2.gz RSJOUDWWCDCPEO-RCQQVGEISA-N 0 0 362.382 2.561 20 10 FFCDRN C[C@]1(C(F)(F)F)CN(C(=O)NCCCSc2nccs2)CCO1 ZINC001478181960 1061932997 /nfs/dbraw/zinc/93/29/97/1061932997.db2.gz JOWWISJZWRSTAG-GFCCVEGCSA-N 0 0 369.434 2.988 20 10 FFCDRN CCCCCOC1CN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC001478957322 1062162405 /nfs/dbraw/zinc/16/24/05/1062162405.db2.gz NMQCUXKDAPDKEM-INIZCTEOSA-N 0 0 361.486 2.875 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCc3nccn3C)c2C)cc1 ZINC001522496129 1062197854 /nfs/dbraw/zinc/19/78/54/1062197854.db2.gz UFKTXHOKBBWYMO-UHFFFAOYSA-N 0 0 352.438 2.809 20 10 FFCDRN COC[C@@H](CNC(=O)N1CCCN(c2ccc(OC)cc2)CC1)C(C)C ZINC001479412088 1062350978 /nfs/dbraw/zinc/35/09/78/1062350978.db2.gz DYFOWPMKMMGKGO-QGZVFWFLSA-N 0 0 363.502 2.836 20 10 FFCDRN C/C(=C/C(=O)N1CC(=O)Nc2cc(Br)ccc21)c1cnccn1 ZINC001435770178 1062557425 /nfs/dbraw/zinc/55/74/25/1062557425.db2.gz 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COC(=O)CN(C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)C1CC1 ZINC001525195315 1063194779 /nfs/dbraw/zinc/19/47/79/1063194779.db2.gz TXOOXVBOQACZRG-UHFFFAOYSA-N 0 0 370.449 2.693 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(Cc2ccco2)n1C[C@H]1CCCO1 ZINC001525332452 1063254377 /nfs/dbraw/zinc/25/43/77/1063254377.db2.gz QOBIPRLLPFFRIS-QGZVFWFLSA-N 0 0 368.437 2.983 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1cc2c([nH]c1=O)CCC[C@H]2O ZINC001465958166 1063278697 /nfs/dbraw/zinc/27/86/97/1063278697.db2.gz HTGJEOZBSRCXPN-GOSISDBHSA-N 0 0 368.433 2.671 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccc(CN(C)C)o3)CC2)cc1 ZINC001545931234 1063302020 /nfs/dbraw/zinc/30/20/20/1063302020.db2.gz AEWJFOJCNLXFKV-UHFFFAOYSA-N 0 0 357.454 2.702 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C/c1cncc(C)c1 ZINC001466398783 1063422993 /nfs/dbraw/zinc/42/29/93/1063422993.db2.gz STNDLUGFIMSYQY-ZZXKWVIFSA-N 0 0 374.824 2.964 20 10 FFCDRN O=C(CCc1ccc(NC(=O)c2cccc(O)c2O)cc1)N1CCCC1 ZINC001442194232 1063508141 /nfs/dbraw/zinc/50/81/41/1063508141.db2.gz 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1064116601 /nfs/dbraw/zinc/11/66/01/1064116601.db2.gz AIEJKQNBIIPVCO-UHFFFAOYSA-N 0 0 368.412 2.970 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)[C@@H]1CC(=O)Nc2cc(F)ccc21 ZINC001469251554 1064117468 /nfs/dbraw/zinc/11/74/68/1064117468.db2.gz YDDPIQAWDCQWCA-OAHLLOKOSA-N 0 0 365.364 2.822 20 10 FFCDRN O=C(CNC(=O)c1cccc(Cl)c1)NCc1ccc2cccnc2c1O ZINC001469252812 1064117621 /nfs/dbraw/zinc/11/76/21/1064117621.db2.gz NCUZHPBEXSMXKI-UHFFFAOYSA-N 0 0 369.808 2.640 20 10 FFCDRN O=C(Cc1ccn(CC(F)(F)F)n1)NCc1ccc2cccnc2c1O ZINC001469250253 1064117684 /nfs/dbraw/zinc/11/76/84/1064117684.db2.gz QCOFOMXEVQEJRB-UHFFFAOYSA-N 0 0 364.327 2.558 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC001469475499 1064153618 /nfs/dbraw/zinc/15/36/18/1064153618.db2.gz CJDRUWLOGFLHLX-QZTJIDSGSA-N 0 0 355.434 2.625 20 10 FFCDRN COCc1nnc2n1CCN(C(=O)c1sccc1-n1c(C)ccc1C)C2 ZINC001469862384 1064220717 /nfs/dbraw/zinc/22/07/17/1064220717.db2.gz PEJFWNCMZHDNHN-UHFFFAOYSA-N 0 0 371.466 2.550 20 10 FFCDRN COC(=O)c1occc1CNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC001470223174 1064278714 /nfs/dbraw/zinc/27/87/14/1064278714.db2.gz VQNLCWCQLNRJAG-UHFFFAOYSA-N 0 0 353.378 2.799 20 10 FFCDRN Cc1c(C(=O)NCc2cc(C)ccc2O)nnn1Cc1ccc(F)cc1F ZINC001470255623 1064289799 /nfs/dbraw/zinc/28/97/99/1064289799.db2.gz YUQCXDCHVLTCSP-UHFFFAOYSA-N 0 0 372.375 2.857 20 10 FFCDRN COC(=O)C1=CC[C@H](NC(=O)N(C)Cc2ccc(N3CCCC3)cc2)C1 ZINC001470804051 1064456571 /nfs/dbraw/zinc/45/65/71/1064456571.db2.gz OYVLQTLMSUWYKW-KRWDZBQOSA-N 0 0 357.454 2.690 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCCCc3ccco3)CC2)c(OC)c1 ZINC001470926731 1064493183 /nfs/dbraw/zinc/49/31/83/1064493183.db2.gz WPJJYXQVKONYAK-UHFFFAOYSA-N 0 0 373.453 2.761 20 10 FFCDRN CC(=O)NC(=CC1=S=CC=C1)C(=O)Nc1cc(C)c(C(C)=O)c(C)c1 ZINC001471630112 1064739086 /nfs/dbraw/zinc/73/90/86/1064739086.db2.gz ZTOAETZHHPOEBC-YVLHZVERSA-N 0 0 356.447 2.742 20 10 FFCDRN CCOC(=O)[C@H](COC)NC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC001471865722 1064827064 /nfs/dbraw/zinc/82/70/64/1064827064.db2.gz 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Cc1cc(C=O)c(O)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC001583677123 1079248857 /nfs/dbraw/zinc/24/88/57/1079248857.db2.gz UPZXUNBDDVGOBU-OAHLLOKOSA-N 0 0 368.433 2.841 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCOC2)n1C[C@H]1CCSC1 ZINC001554174738 1075609228 /nfs/dbraw/zinc/60/92/28/1075609228.db2.gz BIWYMVYDXNEWCB-GDBMZVCRSA-N 0 0 374.510 2.877 20 10 FFCDRN COC(=O)c1c[nH]c2cc(NC(=O)NCCc3ccc(O)c(O)c3)ccc12 ZINC001563076637 1075624119 /nfs/dbraw/zinc/62/41/19/1075624119.db2.gz QFBAGRAFZVQBTK-UHFFFAOYSA-N 0 0 369.377 2.730 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCCN(c3ncccc3F)CC2)cc1 ZINC001556267077 1075721783 /nfs/dbraw/zinc/72/17/83/1075721783.db2.gz HTSXHDZUDITGFK-UHFFFAOYSA-N 0 0 370.388 2.736 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1cc(COc2ccccc2F)on1 ZINC001557084988 1075806130 /nfs/dbraw/zinc/80/61/30/1075806130.db2.gz WZYBKKAYMUJHRO-UHFFFAOYSA-N 0 0 358.325 2.734 20 10 FFCDRN O=C(Cc1cccc2nsnc21)NCc1ccc2cccnc2c1O ZINC001557123368 1075810793 /nfs/dbraw/zinc/81/07/93/1075810793.db2.gz NVZDXARHXFEXTG-UHFFFAOYSA-N 0 0 350.403 2.804 20 10 FFCDRN C[C@@H](c1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1)N1CCOCC1 ZINC001585567855 1079476395 /nfs/dbraw/zinc/47/63/95/1079476395.db2.gz UJFOZSDBYQWBHZ-AWEZNQCLSA-N 0 0 356.422 2.672 20 10 FFCDRN C[C@H](CN(C)C(=O)OC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001585574008 1079476778 /nfs/dbraw/zinc/47/67/78/1079476778.db2.gz NYWPJXQAHVEQON-LLVKDONJSA-N 0 0 363.418 2.834 20 10 FFCDRN COC1(OC)CCOC[C@H]1NC(=O)c1sccc1-n1c(C)ccc1C ZINC001557586676 1075863826 /nfs/dbraw/zinc/86/38/26/1075863826.db2.gz OTVDSFRREXLYTB-OAHLLOKOSA-N 0 0 364.467 2.663 20 10 FFCDRN CC1(c2ccc(CNC(=O)c3ccc(N=NC(N)=O)cc3)cc2)OCCO1 ZINC001557886537 1075906482 /nfs/dbraw/zinc/90/64/82/1075906482.db2.gz YYOSORFSHAOIJS-UHFFFAOYSA-N 0 0 368.393 2.999 20 10 FFCDRN C[C@@H](NC(=O)Cc1cc[nH]c(=O)c1Br)c1ccccc1O ZINC001557966501 1075918885 /nfs/dbraw/zinc/91/88/85/1075918885.db2.gz DVWGUULFQZYNPL-SECBINFHSA-N 0 0 351.200 2.675 20 10 FFCDRN C[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1ccccc1O 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FFCDRN C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)[C@H](C)NC(=O)OC(C)(C)C ZINC001569453550 1077146338 /nfs/dbraw/zinc/14/63/38/1077146338.db2.gz LMMBDEOONJAHEN-MNOVXSKESA-N 0 0 363.418 2.881 20 10 FFCDRN Cc1cc(C(=O)NCCC(=O)Nc2ncc[nH]2)c(C)n1-c1cccc(C)c1 ZINC001570120357 1077185032 /nfs/dbraw/zinc/18/50/32/1077185032.db2.gz HHTZTDKQKDJEDE-UHFFFAOYSA-N 0 0 365.437 2.884 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1 ZINC001570462586 1077207514 /nfs/dbraw/zinc/20/75/14/1077207514.db2.gz ZZADSMSWDGBNBP-QGZVFWFLSA-N 0 0 372.421 2.980 20 10 FFCDRN Cc1cc(CC(=O)N=c2ccnc3n(C)[nH]cc2-3)c(C)n1-c1ccccc1 ZINC001586219854 1079577215 /nfs/dbraw/zinc/57/72/15/1079577215.db2.gz ZZGQIDWSQBYPAG-UHFFFAOYSA-N 0 0 359.433 2.931 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCc2ccnc(Br)c2)cc1 ZINC001586471713 1079635159 /nfs/dbraw/zinc/63/51/59/1079635159.db2.gz PTQSINXEVBAHKE-UHFFFAOYSA-N 0 0 362.187 2.937 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccncc2N2CCCC2)cc1 ZINC001586650193 1079663319 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CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000068786727 221318598 /nfs/dbraw/zinc/31/85/98/221318598.db2.gz UGXPZWNQDMLDIC-GOSISDBHSA-N 0 0 360.479 2.743 20 10 FFCDRN COc1c(O)c(CNc2cccc(-c3nncn3C)c2)ccc1[N+](=O)[O-] ZINC000373030196 512139746 /nfs/dbraw/zinc/13/97/46/512139746.db2.gz RYELEJLZCRPLNP-UHFFFAOYSA-N 0 0 355.354 2.717 20 10 FFCDRN CS(=O)(=O)N1CCCc2cc(C(=O)CSc3nccs3)ccc21 ZINC000052914093 506277970 /nfs/dbraw/zinc/27/79/70/506277970.db2.gz KNKOXMYMPFXHEO-UHFFFAOYSA-N 0 0 368.505 2.830 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(O)(Cc2ccccc2F)CC1 ZINC000366918586 512249805 /nfs/dbraw/zinc/24/98/05/512249805.db2.gz XECKTZLVLYVTBD-SOFGYWHQSA-N 0 0 371.408 2.846 20 10 FFCDRN O=C(NCCCOCC1CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000053999211 506474122 /nfs/dbraw/zinc/47/41/22/506474122.db2.gz ZKYSMWKHCIDOFE-SFHVURJKSA-N 0 0 362.470 2.900 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccccc2OC)SC1=S ZINC000040888327 506488950 /nfs/dbraw/zinc/48/89/50/506488950.db2.gz 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CCc1nn(C)cc1NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000091198647 507966629 /nfs/dbraw/zinc/96/66/29/507966629.db2.gz IACHDAWILNPXOO-OAHLLOKOSA-N 0 0 358.442 2.901 20 10 FFCDRN C[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000074386251 508018023 /nfs/dbraw/zinc/01/80/23/508018023.db2.gz YJOKTQBUZBBZLH-HZSPNIEDSA-N 0 0 371.428 2.573 20 10 FFCDRN C[C@@H](O)CC(C)(C)CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000074547897 508034408 /nfs/dbraw/zinc/03/44/08/508034408.db2.gz RUSZXSHGCHUWRJ-NVXWUHKLSA-N 0 0 364.486 2.880 20 10 FFCDRN Cc1ncc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]1 ZINC000075181679 508088217 /nfs/dbraw/zinc/08/82/17/508088217.db2.gz NMPWCQIJUZGNLE-LBPRGKRZSA-N 0 0 350.369 2.718 20 10 FFCDRN C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094153456 508171310 /nfs/dbraw/zinc/17/13/10/508171310.db2.gz VJMBCNDXABPYOD-JMSVASOKSA-N 0 0 352.456 2.557 20 10 FFCDRN CC(=O)Nc1nc(CN(Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000096971054 508216601 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CO[C@@](C)(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1 ZINC000106624981 508403194 /nfs/dbraw/zinc/40/31/94/508403194.db2.gz GKAHRDVVASYWKY-OAQYLSRUSA-N 0 0 372.440 2.840 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCn4cncc4C3)cc2)CC1 ZINC000152363680 508431789 /nfs/dbraw/zinc/43/17/89/508431789.db2.gz KAWSSLSRLAAATH-GOSISDBHSA-N 0 0 352.482 2.998 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@@H]2CCCN2c2ncnc3sccc32)cc1 ZINC000152572898 508472504 /nfs/dbraw/zinc/47/25/04/508472504.db2.gz XOMCADCLTWAFQR-INIZCTEOSA-N 0 0 367.478 2.601 20 10 FFCDRN CCOC(=O)C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000127914590 508520057 /nfs/dbraw/zinc/52/00/57/508520057.db2.gz WIPAHMDWYVQRMB-UHFFFAOYSA-N 0 0 357.454 2.548 20 10 FFCDRN COCCNc1ccccc1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000128062074 508541509 /nfs/dbraw/zinc/54/15/09/508541509.db2.gz GLVRBRDBINRTGJ-UHFFFAOYSA-N 0 0 374.460 2.949 20 10 FFCDRN Cc1cc(C(=O)CSc2nnc(CO)n2C)c(C)n1-c1ccccc1C ZINC000122629554 508564764 /nfs/dbraw/zinc/56/47/64/508564764.db2.gz 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508922300 /nfs/dbraw/zinc/92/23/00/508922300.db2.gz OJOIBKFCEOUVIG-QGZVFWFLSA-N 0 0 355.438 2.675 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(C(=O)NC2CC2)cc1 ZINC000125494948 508991128 /nfs/dbraw/zinc/99/11/28/508991128.db2.gz ROSZGAZGCWQZSS-UHFFFAOYSA-N 0 0 365.433 2.684 20 10 FFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@@H]1C ZINC000160626499 509012561 /nfs/dbraw/zinc/01/25/61/509012561.db2.gz WVRXMVGJWVHFDE-CABCVRRESA-N 0 0 363.477 2.974 20 10 FFCDRN Cc1cc(C(=O)NCC2(CO)CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000151591368 509048936 /nfs/dbraw/zinc/04/89/36/509048936.db2.gz NPOQVRXDHAFCNQ-UHFFFAOYSA-N 0 0 360.429 2.752 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCN(c2ccccn2)C1 ZINC000121354337 509169092 /nfs/dbraw/zinc/16/90/92/509169092.db2.gz OYSDMKLWXUEGNZ-SFHVURJKSA-N 0 0 363.465 2.536 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCc1ccncn1 ZINC000191846079 509209522 /nfs/dbraw/zinc/20/95/22/509209522.db2.gz IBJGKBSGIBTQDQ-UHFFFAOYSA-N 0 0 364.243 2.926 20 10 FFCDRN 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/nfs/dbraw/zinc/60/96/30/509609630.db2.gz ZQCFWQFDLWYTES-LBPRGKRZSA-N 0 0 373.478 2.961 20 10 FFCDRN COc1cc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)ccc1N ZINC000237280936 509611895 /nfs/dbraw/zinc/61/18/95/509611895.db2.gz JLNQSMZUJRUIHH-RUDMXATFSA-N 0 0 353.422 2.766 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](C)c1nnc2n1CCC2 ZINC000264586857 509615475 /nfs/dbraw/zinc/61/54/75/509615475.db2.gz WZUYWLBDUMRLQF-AWEZNQCLSA-N 0 0 356.474 2.583 20 10 FFCDRN COC(=O)COc1c(C)cc(C(=O)N(C)Cc2ccccc2O)cc1C ZINC000267882434 509656126 /nfs/dbraw/zinc/65/61/26/509656126.db2.gz WWCOHBQJKSRGKO-UHFFFAOYSA-N 0 0 357.406 2.833 20 10 FFCDRN O=C(NCCCC(=O)N1Cc2ccccc2C1)NCc1ccccc1O ZINC000264710894 509659363 /nfs/dbraw/zinc/65/93/63/509659363.db2.gz CFONTXBBJQWSKW-UHFFFAOYSA-N 0 0 353.422 2.514 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@]3(C)CCCO3)cc2F)C[C@H](C)O1 ZINC000267924566 509672889 /nfs/dbraw/zinc/67/28/89/509672889.db2.gz BJMLWVOMUXTSOU-BIENJYKASA-N 0 0 350.434 2.625 20 10 FFCDRN CC[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCO1 ZINC000183307134 509707412 /nfs/dbraw/zinc/70/74/12/509707412.db2.gz CCRIIYSAADGJIU-AZUAARDMSA-N 0 0 360.498 2.717 20 10 FFCDRN Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000183390716 509756609 /nfs/dbraw/zinc/75/66/09/509756609.db2.gz WBGQJFQBEOUSPM-GFCCVEGCSA-N 0 0 374.460 2.547 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCCNc1ccc([N+](=O)[O-])cc1 ZINC000183445245 509795291 /nfs/dbraw/zinc/79/52/91/509795291.db2.gz ILLIYWIOFXUUBY-CYBMUJFWSA-N 0 0 373.409 2.946 20 10 FFCDRN Nc1ccc(CC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cc1 ZINC000238069821 509814277 /nfs/dbraw/zinc/81/42/77/509814277.db2.gz UTYSIZRKAMSRCU-UHFFFAOYSA-N 0 0 363.421 2.663 20 10 FFCDRN CCS(=O)(=O)C[C@@H](C)N(C)Cc1cc(Br)cc(C)c1O ZINC000180255063 509836506 /nfs/dbraw/zinc/83/65/06/509836506.db2.gz YXQOCNSCSDQEEU-LLVKDONJSA-N 0 0 364.305 2.718 20 10 FFCDRN Cn1cc([C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccc(F)cc2)cn1 ZINC000186853232 509913769 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CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](C)c3cccs3)cc2)CC1 ZINC000190580667 510219344 /nfs/dbraw/zinc/21/93/44/510219344.db2.gz LNJGGKQPYSEMBS-OAHLLOKOSA-N 0 0 371.506 2.837 20 10 FFCDRN C[C@H]1OCC[C@@H]1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000184320726 510260568 /nfs/dbraw/zinc/26/05/68/510260568.db2.gz UBYNBYNKTDJSSB-QAPCUYQASA-N 0 0 352.500 2.616 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3ccncc3)cc2F)C[C@H](C)O1 ZINC000265876889 510276510 /nfs/dbraw/zinc/27/65/10/510276510.db2.gz HWBQNJVTXWASLP-GASCZTMLSA-N 0 0 357.429 2.693 20 10 FFCDRN Cc1[nH]c(C(=O)NCCc2ccc(O)c(O)c2)c(C)c1C(=O)OC(C)C ZINC000269225069 510300779 /nfs/dbraw/zinc/30/07/79/510300779.db2.gz RUQFHKINESJABO-UHFFFAOYSA-N 0 0 360.410 2.580 20 10 FFCDRN Cc1cc(/C=C/C(=O)N2CCC(NC(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000177905277 510317916 /nfs/dbraw/zinc/31/79/16/510317916.db2.gz VNODWQQCWDIPNQ-CMDGGOBGSA-N 0 0 366.465 2.767 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000181256742 510325558 /nfs/dbraw/zinc/32/55/58/510325558.db2.gz BGMPLRXIBHUYBN-AWEZNQCLSA-N 0 0 357.479 2.896 20 10 FFCDRN CN1C(=O)CC[C@@H](C(=O)NCCc2ccc(N)cc2)[C@@H]1c1ccccc1 ZINC000262586882 510327941 /nfs/dbraw/zinc/32/79/41/510327941.db2.gz WFGKHSPJXMLHHW-QUCCMNQESA-N 0 0 351.450 2.537 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cn4ccnc4s3)CC2)cc1 ZINC000190835643 510366781 /nfs/dbraw/zinc/36/67/81/510366781.db2.gz LWWIXJYMUAEMET-UHFFFAOYSA-N 0 0 356.451 2.757 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c(F)ccc(OC)c3OC)CC2)cc1 ZINC000190889598 510395671 /nfs/dbraw/zinc/39/56/71/510395671.db2.gz KBRPGHOUQNQNNL-UHFFFAOYSA-N 0 0 374.412 2.814 20 10 FFCDRN CC(=O)c1ccc(OCCCC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000269509773 510442727 /nfs/dbraw/zinc/44/27/27/510442727.db2.gz WLDYAYXIBXELFT-UHFFFAOYSA-N 0 0 357.406 2.818 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(Cc3nc(C)c(C)o3)CC2)c1O ZINC000184688516 510464067 /nfs/dbraw/zinc/46/40/67/510464067.db2.gz HWALTJHRYYLTAR-UHFFFAOYSA-N 0 0 365.861 2.977 20 10 FFCDRN Cc1c(F)cccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175067803 510468319 /nfs/dbraw/zinc/46/83/19/510468319.db2.gz DRGQXOHHRNFKAM-UHFFFAOYSA-N 0 0 355.413 2.989 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccnc(O[C@@H]3CCOC3)c2)cc1 ZINC000184783495 510515331 /nfs/dbraw/zinc/51/53/31/510515331.db2.gz AIBKWJAVJTXLMN-GOSISDBHSA-N 0 0 355.438 2.588 20 10 FFCDRN NC(=O)CSc1ccccc1C(=O)N1CCS[C@@H]2CCCC[C@@H]21 ZINC000175420760 510638562 /nfs/dbraw/zinc/63/85/62/510638562.db2.gz FDNXMHFFGKBDFC-DZGCQCFKSA-N 0 0 350.509 2.764 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](O)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000266551588 510654899 /nfs/dbraw/zinc/65/48/99/510654899.db2.gz LOLGPZKNOUWCKP-IBGZPJMESA-N 0 0 352.438 2.599 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(OC(F)F)n(C)n1 ZINC000185063375 510662311 /nfs/dbraw/zinc/66/23/11/510662311.db2.gz MWXXPXOOCUJRTI-UHFFFAOYSA-N 0 0 352.385 2.750 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H](CC(N)=O)C3)cc2)CC1 ZINC000175486191 510663632 /nfs/dbraw/zinc/66/36/32/510663632.db2.gz BZQOSLHNGBNHEU-SFHVURJKSA-N 0 0 372.513 2.720 20 10 FFCDRN CC1(C)[C@H](NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)[C@H]2CCO[C@H]21 ZINC000246925985 510750704 /nfs/dbraw/zinc/75/07/04/510750704.db2.gz NABFNIZNWHFTSW-QFHJOOASSA-N 0 0 374.481 2.896 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCC(NC(C)=O)CC1 ZINC000263642499 510763143 /nfs/dbraw/zinc/76/31/43/510763143.db2.gz ADVPWWAFLKNLEY-UHFFFAOYSA-N 0 0 360.502 2.731 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CC2)cc1 ZINC000247121096 510840043 /nfs/dbraw/zinc/84/00/43/510840043.db2.gz WCJAIGBYRKDYMO-IPMKNSEASA-N 0 0 373.497 2.730 20 10 FFCDRN C[C@@H]1CN(C(=O)c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)[C@H]1C ZINC000293875861 510883161 /nfs/dbraw/zinc/88/31/61/510883161.db2.gz AZCFWAKLSKVAEZ-MNOVXSKESA-N 0 0 366.464 2.735 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C3SCCS3)cc2F)C[C@@H](C)O1 ZINC000270511228 510891854 /nfs/dbraw/zinc/89/18/54/510891854.db2.gz RCQVZWZSFCSFOQ-VXGBXAGGSA-N 0 0 370.515 2.862 20 10 FFCDRN CN(C)c1ccc(CNc2cccc(S(=O)(=O)NC3=NCCC3)c2)cc1 ZINC000285437345 510906902 /nfs/dbraw/zinc/90/69/02/510906902.db2.gz CRVMADBKPFLKSG-UHFFFAOYSA-N 0 0 372.494 2.835 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1(OC)CCOCC1 ZINC000285444928 510909104 /nfs/dbraw/zinc/90/91/04/510909104.db2.gz YUHOUUUJJNVPJB-UHFFFAOYSA-N 0 0 372.259 2.699 20 10 FFCDRN CS(=O)(=O)NCCC[NH2+][C@@H](CCc1ccccc1)c1ccccc1O ZINC000293960241 510911503 /nfs/dbraw/zinc/91/15/03/510911503.db2.gz ZVEBCZFVJJLICZ-SFHVURJKSA-N 0 0 362.495 2.595 20 10 FFCDRN CC(C)(C)OC(=O)Nc1ccncc1C(=O)NCCc1ccc(O)c(O)c1 ZINC000276004670 510922913 /nfs/dbraw/zinc/92/29/13/510922913.db2.gz SGSJDWHYJBTHNI-UHFFFAOYSA-N 0 0 373.409 2.812 20 10 FFCDRN CO[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000276148347 510929125 /nfs/dbraw/zinc/92/91/25/510929125.db2.gz PNWHQZWEMSTYKZ-LJISPDSOSA-N 0 0 367.465 2.662 20 10 FFCDRN Cc1nnsc1C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000276502884 510940463 /nfs/dbraw/zinc/94/04/63/510940463.db2.gz PUIVMPSVFMRWSU-QWRGUYRKSA-N 0 0 364.446 2.529 20 10 FFCDRN Cc1cc2n[nH]cc2cc1NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000276736129 510945675 /nfs/dbraw/zinc/94/56/75/510945675.db2.gz CHHUSFFBXSJVGD-UHFFFAOYSA-N 0 0 365.437 2.534 20 10 FFCDRN COc1cc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)ccc1NC(C)=O ZINC000276929600 510949662 /nfs/dbraw/zinc/94/96/62/510949662.db2.gz UXKMOZARGSWCCP-LLVKDONJSA-N 0 0 373.409 2.818 20 10 FFCDRN C[C@@H](NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ncnn1C ZINC000276918774 510949936 /nfs/dbraw/zinc/94/99/36/510949936.db2.gz OJFFPJGULYUVND-OAHLLOKOSA-N 0 0 356.474 2.708 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](C)c3ncnn3C)c2C)cc1 ZINC000276924901 510950158 /nfs/dbraw/zinc/95/01/58/510950158.db2.gz UIYSNFAZMKZAPD-CYBMUJFWSA-N 0 0 353.426 2.722 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc2c[nH]nc2cc1C ZINC000277070546 510953664 /nfs/dbraw/zinc/95/36/64/510953664.db2.gz WZINMACIZQNVSB-UHFFFAOYSA-N 0 0 366.421 2.954 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCCc2c[nH]nc21 ZINC000277246680 510956924 /nfs/dbraw/zinc/95/69/24/510956924.db2.gz HQZOHDJLVMDFSU-CYBMUJFWSA-N 0 0 360.801 2.611 20 10 FFCDRN C[C@H]([NH2+]CC1(OCCO)CCOCC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000282406100 510964085 /nfs/dbraw/zinc/96/40/85/510964085.db2.gz CBTMFLBOGOAQDI-NSHDSACASA-N 0 0 364.269 2.908 20 10 FFCDRN O=C(/C=C/c1cncs1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000282415138 510967459 /nfs/dbraw/zinc/96/74/59/510967459.db2.gz LDPYVDISDRVUTC-AATRIKPKSA-N 0 0 357.479 2.681 20 10 FFCDRN CC(C)(C)C(=O)NCCCC(=O)NCc1cccc(Br)c1O ZINC000277635867 510969500 /nfs/dbraw/zinc/96/95/00/510969500.db2.gz XPFYLKMMYCZZAR-UHFFFAOYSA-N 0 0 371.275 2.713 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@H](C)COc2ccccc2OC)c1O ZINC000270769143 510979250 /nfs/dbraw/zinc/97/92/50/510979250.db2.gz CZWHVXDXAFSCPN-AWEZNQCLSA-N 0 0 374.437 2.924 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccnn2C)cc1 ZINC000278378917 510990642 /nfs/dbraw/zinc/99/06/42/510990642.db2.gz YNICPPIOKFRMEF-UHFFFAOYSA-N 0 0 352.438 2.851 20 10 FFCDRN COc1c([O-])c(C[NH2+]CC2([C@@H](O)c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000278550246 510998650 /nfs/dbraw/zinc/99/86/50/510998650.db2.gz YWTKVNQAKJJBHW-SFHVURJKSA-N 0 0 358.394 2.912 20 10 FFCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2ccc(F)cn2)cc1 ZINC000278720205 511004496 /nfs/dbraw/zinc/00/44/96/511004496.db2.gz ROXBUAMQGCSSSK-UHFFFAOYSA-N 0 0 356.401 2.965 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Nc3ccncn3)cc2F)C[C@H](C)O1 ZINC000279130390 511019807 /nfs/dbraw/zinc/01/98/07/511019807.db2.gz WZCXKZLLRGZIGQ-BETUJISGSA-N 0 0 359.405 2.551 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(=O)[nH]2)cc1 ZINC000279140571 511020452 /nfs/dbraw/zinc/02/04/52/511020452.db2.gz DALANSPLVGOKIC-KRWDZBQOSA-N 0 0 355.438 2.675 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cc1 ZINC000286541168 511027222 /nfs/dbraw/zinc/02/72/22/511027222.db2.gz HAVBWALBHKANIW-SFHVURJKSA-N 0 0 372.513 2.687 20 10 FFCDRN CC[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](O)C(F)(F)F ZINC000270929312 511028135 /nfs/dbraw/zinc/02/81/35/511028135.db2.gz WMCJXLQSYAGXKF-LSDHHAIUSA-N 0 0 357.376 2.564 20 10 FFCDRN CC[C@@H]([NH2+]C[C@H]1CCn2ncc(C(N)=O)c2C1)c1cccc(Cl)c1[O-] ZINC000286976145 511037224 /nfs/dbraw/zinc/03/72/24/511037224.db2.gz ITBCCSQVRSTMEG-XHDPSFHLSA-N 0 0 362.861 2.644 20 10 FFCDRN COc1ccncc1COC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000286960627 511037668 /nfs/dbraw/zinc/03/76/68/511037668.db2.gz LFAIFCIEOFMQNF-QPJJXVBHSA-N 0 0 354.406 2.683 20 10 FFCDRN Cc1c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)c(Cl)c2)nnn1C ZINC000282613922 511046255 /nfs/dbraw/zinc/04/62/55/511046255.db2.gz JOUQWGUFPCHGAY-GFCCVEGCSA-N 0 0 361.877 2.943 20 10 FFCDRN CC[C@H](C)[C@@H](CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)OC ZINC000297752661 511057240 /nfs/dbraw/zinc/05/72/40/511057240.db2.gz KLYCQMOHHXZQGT-QFBILLFUSA-N 0 0 363.502 2.726 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CCC(F)(F)C1 ZINC000287965515 511061429 /nfs/dbraw/zinc/06/14/29/511061429.db2.gz IIGDRJCEZAIWKT-OAHLLOKOSA-N 0 0 367.440 2.653 20 10 FFCDRN Cc1cc(C(=O)NC[C@H]2CCCN(C(N)=O)C2)c(C)n1-c1ccccc1 ZINC000288281237 511069938 /nfs/dbraw/zinc/06/99/38/511069938.db2.gz SFSWBOUYMSWQHC-MRXNPFEDSA-N 0 0 354.454 2.615 20 10 FFCDRN O=C(CCc1ncc[nH]1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000288672709 511082641 /nfs/dbraw/zinc/08/26/41/511082641.db2.gz HAZKSTNJJPNVRC-CYBMUJFWSA-N 0 0 364.396 2.729 20 10 FFCDRN O=C(NCc1nccc(C(F)F)n1)NCc1c(O)ccc2c1CCCC2 ZINC000288928875 511088410 /nfs/dbraw/zinc/08/84/10/511088410.db2.gz YGVOPZDGHXYOFA-UHFFFAOYSA-N 0 0 362.380 2.998 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1)S(C)(=O)=O ZINC000282741504 511093853 /nfs/dbraw/zinc/09/38/53/511093853.db2.gz UCNNCAPOOVPWLK-QWHCGFSZSA-N 0 0 372.918 2.626 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](COC)c1ccc(C)o1 ZINC000289126715 511094807 /nfs/dbraw/zinc/09/48/07/511094807.db2.gz OEJSTIDDXKAXMT-INIZCTEOSA-N 0 0 374.437 2.536 20 10 FFCDRN CC[C@@H](C)[C@H](NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(F)(F)F ZINC000297882293 511098634 /nfs/dbraw/zinc/09/86/34/511098634.db2.gz NLNUCLVOFAUPRO-DOMZBBRYSA-N 0 0 373.419 2.804 20 10 FFCDRN CC(C)c1nc(NCc2ccc(N3CCOCC3)cc2)nc(N(C)C)n1 ZINC000271184856 511111333 /nfs/dbraw/zinc/11/13/33/511111333.db2.gz MZNSWYYPONUNMW-UHFFFAOYSA-N 0 0 356.474 2.510 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)OC3CCOCC3)cc2F)C[C@H](C)O1 ZINC000289760166 511113854 /nfs/dbraw/zinc/11/38/54/511113854.db2.gz KRPDHQODRSIBKX-OKILXGFUSA-N 0 0 366.433 2.845 20 10 FFCDRN C[C@H](NCc1ncnn1C(C)(C)C)c1ccc(N2CCOCC2)c(F)c1 ZINC000282835828 511129274 /nfs/dbraw/zinc/12/92/74/511129274.db2.gz SLKXUNWUAVDHIQ-AWEZNQCLSA-N 0 0 361.465 2.860 20 10 FFCDRN COCCCn1nccc1CN(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000282875330 511144244 /nfs/dbraw/zinc/14/42/44/511144244.db2.gz WEKFNPCIKCFWCU-IBGZPJMESA-N 0 0 359.470 2.806 20 10 FFCDRN CC(C)[C@H]1C[C@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1 ZINC000271357083 511176127 /nfs/dbraw/zinc/17/61/27/511176127.db2.gz KMRUMOBYWACWPZ-QEMYPZFLSA-N 0 0 358.482 2.856 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccn(CCn2cccn2)n1 ZINC000294831512 511191655 /nfs/dbraw/zinc/19/16/55/511191655.db2.gz XLGWPJTXZNSNAB-UHFFFAOYSA-N 0 0 366.469 2.508 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)Cc1ccncc1 ZINC000298426287 511280137 /nfs/dbraw/zinc/28/01/37/511280137.db2.gz UTRYTSYRTHXNNJ-UHFFFAOYSA-N 0 0 368.481 2.543 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000283235163 511289357 /nfs/dbraw/zinc/28/93/57/511289357.db2.gz JBPANHIYWIVUKQ-MRXNPFEDSA-N 0 0 351.450 2.780 20 10 FFCDRN C[C@H]1C(=O)CC[C@@H]1CC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000280000284 511298316 /nfs/dbraw/zinc/29/83/16/511298316.db2.gz DFTFJQOYOXEDEX-CRAIPNDOSA-N 0 0 358.482 2.517 20 10 FFCDRN COC(=O)c1cnc(SCCc2c(C)nc3sccn3c2=O)s1 ZINC000295263663 511342267 /nfs/dbraw/zinc/34/22/67/511342267.db2.gz IZAAKDCRGSSTBG-UHFFFAOYSA-N 0 0 367.477 2.642 20 10 FFCDRN Cc1cnc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)o1 ZINC000291854240 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Cc1ccc(C(=O)N[C@H]2C[C@H](C)S(=O)(=O)c3sccc32)c(O)c1O ZINC000292015978 511432441 /nfs/dbraw/zinc/43/24/41/511432441.db2.gz NVQSAUSIYUQRPR-CABZTGNLSA-N 0 0 367.448 2.505 20 10 FFCDRN CC(C)OCCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000298867908 511435865 /nfs/dbraw/zinc/43/58/65/511435865.db2.gz SSDLIJLMLYAMFQ-HUUCEWRRSA-N 0 0 352.450 2.871 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Nc1cn(C)nc1C1CC1 ZINC000292070504 511453905 /nfs/dbraw/zinc/45/39/05/511453905.db2.gz OSHQJQZHKMBMMY-UHFFFAOYSA-N 0 0 369.469 2.798 20 10 FFCDRN C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1cccc(F)c1[O-] ZINC000272224815 511470777 /nfs/dbraw/zinc/47/07/77/511470777.db2.gz CSIJFPQVMRSTDA-UHFFFAOYSA-N 0 0 367.442 2.836 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3ccncn3)cc2F)C[C@@H](C)O1 ZINC000272262068 511483614 /nfs/dbraw/zinc/48/36/14/511483614.db2.gz QRABUFRXGSRYGH-WYVSAIIBSA-N 0 0 370.428 2.559 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 ZINC000283748851 511486447 /nfs/dbraw/zinc/48/64/47/511486447.db2.gz OFDLPOJYSKVHEQ-IBGZPJMESA-N 0 0 351.450 2.636 20 10 FFCDRN O=C(c1ccc(F)cc1F)N1CCN(Cc2cccc(F)c2O)CC1 ZINC000272297664 511490845 /nfs/dbraw/zinc/49/08/45/511490845.db2.gz PFFCRBZAERREKA-UHFFFAOYSA-N 0 0 350.340 2.768 20 10 FFCDRN Cc1cc(O)c(CNc2cccc(NC(=O)NCCC(N)=O)c2)cc1C ZINC000280527236 511498104 /nfs/dbraw/zinc/49/81/04/511498104.db2.gz BNLWWABZYJWCNO-UHFFFAOYSA-N 0 0 356.426 2.618 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@@H](C3N=NC(=S)N3C3CC3)C2)c(O)c1O ZINC000272777653 511506354 /nfs/dbraw/zinc/50/63/54/511506354.db2.gz UHHPBVWVBLJHTF-LLVKDONJSA-N 0 0 374.466 2.641 20 10 FFCDRN CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273162251 511519162 /nfs/dbraw/zinc/51/91/62/511519162.db2.gz KSMTZXSACANWGX-TZMCWYRMSA-N 0 0 357.406 2.815 20 10 FFCDRN COc1ccc(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC ZINC000273146352 511519309 /nfs/dbraw/zinc/51/93/09/511519309.db2.gz GKMZZTQDSLIPOV-PPGNKHEKSA-N 0 0 357.406 2.876 20 10 FFCDRN COc1ccc(/C=C/C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1OC ZINC000273146354 511519542 /nfs/dbraw/zinc/51/95/42/511519542.db2.gz GKMZZTQDSLIPOV-YSKGHYERSA-N 0 0 357.406 2.876 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)CCCCCCS(N)(=O)=O ZINC000299111738 511519690 /nfs/dbraw/zinc/51/96/90/511519690.db2.gz WLCQHTZQWCPISD-UHFFFAOYSA-N 0 0 370.515 2.760 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1cc(F)ccc1O ZINC000273303797 511521842 /nfs/dbraw/zinc/52/18/42/511521842.db2.gz CEAGRPASGPLJIH-CQSZACIVSA-N 0 0 358.413 2.855 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](CCO)c2ccc(OC)cc2)c1 ZINC000273353013 511523738 /nfs/dbraw/zinc/52/37/38/511523738.db2.gz CCNWSWFOKDTEON-UGSOOPFHSA-N 0 0 359.422 2.962 20 10 FFCDRN C[C@@H](Nc1cnn(CC(=O)NC2CC2)c1)c1cc2c(cc1O)CCCC2 ZINC000273419924 511524982 /nfs/dbraw/zinc/52/49/82/511524982.db2.gz JFPCOVOWQHOOAI-CYBMUJFWSA-N 0 0 354.454 2.919 20 10 FFCDRN COc1cc(N2CCN(c3nc4ccccc4[nH]3)CC2)cc(OC)c1OC ZINC000273437350 511526420 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362.382 2.702 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000280722236 511577011 /nfs/dbraw/zinc/57/70/11/511577011.db2.gz HSOHDFIDZAKMEY-RUZDIDTESA-N 0 0 365.543 2.974 20 10 FFCDRN CC(C)n1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000280842494 511624484 /nfs/dbraw/zinc/62/44/84/511624484.db2.gz WHZNRUASPOMPAF-UHFFFAOYSA-N 0 0 371.485 2.994 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCC1([S@@](C)=O)CCC1 ZINC000280843799 511625695 /nfs/dbraw/zinc/62/56/95/511625695.db2.gz VUSUAHNOBHBYKI-XMMPIXPASA-N 0 0 351.516 2.585 20 10 FFCDRN COc1ccc2c(c1)OCC[C@@H]2NC(=O)NCc1cccc(OC)c1O ZINC000363558490 511627134 /nfs/dbraw/zinc/62/71/34/511627134.db2.gz SBEVTGFTQPNZBA-HNNXBMFYSA-N 0 0 358.394 2.732 20 10 FFCDRN CCOC(=O)c1csc(CN(C)c2cc(OC)c(OC)c(OC)c2)n1 ZINC000292532947 511631581 /nfs/dbraw/zinc/63/15/81/511631581.db2.gz FUFQSDQVHAYTMS-UHFFFAOYSA-N 0 0 366.439 2.982 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000365759719 511640209 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C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(N2CCOCC2)cc1 ZINC000302008774 511704809 /nfs/dbraw/zinc/70/48/09/511704809.db2.gz VJLKHHYJKGUHFK-ZDUSSCGKSA-N 0 0 368.397 2.647 20 10 FFCDRN O=C1NC[C@@H](CSc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)O1 ZINC000296353466 511711882 /nfs/dbraw/zinc/71/18/82/511711882.db2.gz RGZWEFSVOKKJQH-CABCVRRESA-N 0 0 359.451 2.930 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCc3ccccc32)cc1 ZINC000284423707 511718131 /nfs/dbraw/zinc/71/81/31/511718131.db2.gz SQMKNODLBVMCJG-LJQANCHMSA-N 0 0 351.450 2.515 20 10 FFCDRN O=C(CN1CCOCC1)Nc1ccc(N[C@@H]2CCc3cccc(O)c32)cc1 ZINC000296395958 511727089 /nfs/dbraw/zinc/72/70/89/511727089.db2.gz KBUUROPERKWDBP-GOSISDBHSA-N 0 0 367.449 2.762 20 10 FFCDRN CCN(CC)c1ccc(CN2CCC(CS(C)(=O)=O)CC2)cc1F ZINC000292830374 511737214 /nfs/dbraw/zinc/73/72/14/511737214.db2.gz RAVYFGXQBRYGTG-UHFFFAOYSA-N 0 0 356.507 2.929 20 10 FFCDRN CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2ccc(C)c(C)c2O)CC1 ZINC000296483915 511762576 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Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCC(C1CC1)C1CC1 ZINC000574936111 519411614 /nfs/dbraw/zinc/41/16/14/519411614.db2.gz DWMHDZPBXYPKAR-UHFFFAOYSA-N 0 0 353.466 2.655 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000597320890 519955306 /nfs/dbraw/zinc/95/53/06/519955306.db2.gz VYJVJZMHNGGWNZ-QGZVFWFLSA-N 0 0 360.454 2.846 20 10 FFCDRN O=S(=O)(c1cccc2nsnc21)N1CCc2cc(F)c(F)cc21 ZINC000614802758 521144031 /nfs/dbraw/zinc/14/40/31/521144031.db2.gz BGUVMFIMUOITCZ-UHFFFAOYSA-N 0 0 353.375 2.721 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2c(C)[nH][nH]c2=O)CCCC1 ZINC000615226604 521322330 /nfs/dbraw/zinc/32/23/30/521322330.db2.gz AGDJLEAWCQAEHE-UHFFFAOYSA-N 0 0 354.410 2.905 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000635629967 522409157 /nfs/dbraw/zinc/40/91/57/522409157.db2.gz ZEEDNGNYPJCCMH-OAHLLOKOSA-N 0 0 368.359 2.868 20 10 FFCDRN Clc1nsc(NCc2ccc(N3CC=CC3)cc2)c1-c1nn[nH]n1 ZINC000737582813 598973586 /nfs/dbraw/zinc/97/35/86/598973586.db2.gz 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CN(CCNC(=O)NCc1c(O)ccc2c1CCCC2)CC(F)(F)F ZINC000743605524 735309233 /nfs/dbraw/zinc/30/92/33/735309233.db2.gz NLRMOIASYIESJT-UHFFFAOYSA-N 0 0 359.392 2.564 20 10 FFCDRN CCC[C@H](C)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)n[nH]1 ZINC000743628351 735310765 /nfs/dbraw/zinc/31/07/65/735310765.db2.gz QAYSDLCQIIRJCG-JTQLQIEISA-N 0 0 366.443 2.643 20 10 FFCDRN CC(C)(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000744372178 735351821 /nfs/dbraw/zinc/35/18/21/735351821.db2.gz BAPKPTHLGMNFRH-LBPRGKRZSA-N 0 0 354.397 2.988 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2noc(-c3cccs3)n2)cc1 ZINC000745178905 735404252 /nfs/dbraw/zinc/40/42/52/735404252.db2.gz DJADEQKBTIMTSA-UHFFFAOYSA-N 0 0 357.439 2.864 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CN(C)Cc3cccs3)CC2)cc1 ZINC000003419708 727775457 /nfs/dbraw/zinc/77/54/57/727775457.db2.gz VEVWQIIZSPBYFH-UHFFFAOYSA-N 0 0 359.495 2.537 20 10 FFCDRN O=C(CSc1nnnn1-c1ccc(Cl)cc1)c1ccc(O)c(O)c1 ZINC000006034957 727784309 /nfs/dbraw/zinc/78/43/09/727784309.db2.gz LFJSVUTWVSPZHL-UHFFFAOYSA-N 0 0 362.798 2.702 20 10 FFCDRN COc1cccc(/C=C2\SC(N3CCOCC3)=NC2=O)c1OC(F)F ZINC000026763728 727872016 /nfs/dbraw/zinc/87/20/16/727872016.db2.gz KNQNQVHBFJHBMF-XFXZXTDPSA-N 0 0 370.377 2.599 20 10 FFCDRN COC(=O)[C@@H](C)Oc1ccccc1/C=C1/SC(=S)N(C2CC2)C1=O ZINC000899260476 735467596 /nfs/dbraw/zinc/46/75/96/735467596.db2.gz IGBXVCQXBCLVAG-GMROUXNLSA-N 0 0 363.460 2.991 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(Br)nc2)cc1F ZINC000746518192 735490861 /nfs/dbraw/zinc/49/08/61/735490861.db2.gz NUSRALVJWHSCRR-UHFFFAOYSA-N 0 0 352.207 2.979 20 10 FFCDRN CN(Cc1ccc(Cl)cc1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000055106255 728094685 /nfs/dbraw/zinc/09/46/85/728094685.db2.gz KRKUNPOPNAGAJF-UHFFFAOYSA-N 0 0 368.842 2.689 20 10 FFCDRN CC(C)CCO[C@@H](C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000066024649 728165720 /nfs/dbraw/zinc/16/57/20/728165720.db2.gz BNMAMTAZZYOWHZ-HNNXBMFYSA-N 0 0 352.450 2.730 20 10 FFCDRN CSCC[C@H](C)NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000077801998 728285582 /nfs/dbraw/zinc/28/55/82/728285582.db2.gz WPBYOIFHANSMID-HNNXBMFYSA-N 0 0 365.543 2.836 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccnc(OCC(F)F)c2)c1 ZINC000089487156 728443768 /nfs/dbraw/zinc/44/37/68/728443768.db2.gz NCLKSICSUZBQSN-JTQLQIEISA-N 0 0 352.337 2.931 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 ZINC000105590977 728506819 /nfs/dbraw/zinc/50/68/19/728506819.db2.gz DEQSORWICJKRSN-UHFFFAOYSA-N 0 0 372.443 2.697 20 10 FFCDRN CCC[C@@H](C)N1C[C@H](C(=O)NCCCSc2nccs2)CC1=O ZINC000114376086 728559957 /nfs/dbraw/zinc/55/99/57/728559957.db2.gz ABUQHQSJQGXOMK-CHWSQXEVSA-N 0 0 355.529 2.779 20 10 FFCDRN COc1ccc(O)c(CNC(=O)COc2cccc(Br)c2)c1 ZINC000114543775 728561295 /nfs/dbraw/zinc/56/12/95/728561295.db2.gz CGUYNQIQONZSFV-UHFFFAOYSA-N 0 0 366.211 2.859 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1 ZINC000115592703 728566447 /nfs/dbraw/zinc/56/64/47/728566447.db2.gz ZSELWFNTMFIZPF-UHFFFAOYSA-N 0 0 363.439 2.589 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(S(C)(=O)=O)cc1 ZINC000115749512 728567148 /nfs/dbraw/zinc/56/71/48/728567148.db2.gz BQYMEULDHWCIPH-UHFFFAOYSA-N 0 0 361.467 2.786 20 10 FFCDRN CCS(=O)(=O)c1ccc(F)c(C(=O)N(C)Cc2ccccc2O)c1 ZINC000118775198 728584364 /nfs/dbraw/zinc/58/43/64/728584364.db2.gz PRIKEAKTTRDNHA-UHFFFAOYSA-N 0 0 351.399 2.597 20 10 FFCDRN CCc1ncc(NC(=O)NCc2ccc(N3CCSCC3)cc2)cn1 ZINC000119224595 728589992 /nfs/dbraw/zinc/58/99/92/728589992.db2.gz WELOCMDHEDPGJO-UHFFFAOYSA-N 0 0 357.483 2.914 20 10 FFCDRN COc1ccc(N(C)CCN2C(=O)NC3(CCCC3)C2=O)cc1Cl ZINC000121920792 728642006 /nfs/dbraw/zinc/64/20/06/728642006.db2.gz ILUILBOCGSWTPW-UHFFFAOYSA-N 0 0 351.834 2.649 20 10 FFCDRN O=C(Cc1cc(Br)ccc1F)NCCc1ccc(O)c(O)c1 ZINC000122681559 728650456 /nfs/dbraw/zinc/65/04/56/728650456.db2.gz RQXHGDANDHMOCK-UHFFFAOYSA-N 0 0 368.202 2.901 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000123685903 728661430 /nfs/dbraw/zinc/66/14/30/728661430.db2.gz NVIJECYTWBELHR-SKDRFNHKSA-N 0 0 354.712 2.841 20 10 FFCDRN CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)cc1 ZINC000123894132 728664285 /nfs/dbraw/zinc/66/42/85/728664285.db2.gz JNUONHQLBFJFBO-UHFFFAOYSA-N 0 0 362.451 2.984 20 10 FFCDRN Cc1sc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)cc1[N+](=O)[O-] ZINC000124058053 728666043 /nfs/dbraw/zinc/66/60/43/728666043.db2.gz VHBBTOMBLYNDAR-UHFFFAOYSA-N 0 0 369.468 2.818 20 10 FFCDRN O=C(COc1ccccc1O)NCc1ccc(N2CCSCC2)cc1 ZINC000132754964 728725277 /nfs/dbraw/zinc/72/52/77/728725277.db2.gz NWTUJINONBIFQP-UHFFFAOYSA-N 0 0 358.463 2.641 20 10 FFCDRN Cc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000134612716 728731407 /nfs/dbraw/zinc/73/14/07/728731407.db2.gz DWJZEJPXKYAPQD-JTQLQIEISA-N 0 0 362.813 2.746 20 10 FFCDRN C[C@H](Oc1cccc(CO)c1)C(=O)NCCCSc1nccs1 ZINC000163314146 728956306 /nfs/dbraw/zinc/95/63/06/728956306.db2.gz WJPDCRFRWHEFTN-LBPRGKRZSA-N 0 0 352.481 2.701 20 10 FFCDRN COCC1(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)CC1 ZINC000778690082 738404770 /nfs/dbraw/zinc/40/47/70/738404770.db2.gz JXVNBACPPHFRMM-UHFFFAOYSA-N 0 0 354.397 2.800 20 10 FFCDRN Cc1noc(C)c1CSc1ccccc1C(=O)N1CCS(=O)CC1 ZINC000171658691 729010156 /nfs/dbraw/zinc/01/01/56/729010156.db2.gz ZBIXTARVXSTGIT-UHFFFAOYSA-N 0 0 364.492 2.788 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CCSCC3)cc2)CCS1 ZINC000171742657 729011346 /nfs/dbraw/zinc/01/13/46/729011346.db2.gz ZCNPJRHJQVXNAP-CQSZACIVSA-N 0 0 351.541 2.887 20 10 FFCDRN CCOCCNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000175375937 729094755 /nfs/dbraw/zinc/09/47/55/729094755.db2.gz KKRJJMYQSPCSNZ-CYBMUJFWSA-N 0 0 357.401 2.593 20 10 FFCDRN CN(C)c1ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1Cl ZINC000176975496 729124720 /nfs/dbraw/zinc/12/47/20/729124720.db2.gz VCSRSVWYZACQCH-UHFFFAOYSA-N 0 0 361.829 2.709 20 10 FFCDRN COCC1(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000778808680 738412946 /nfs/dbraw/zinc/41/29/46/738412946.db2.gz JFGHVVSMXTYFAE-ZDUSSCGKSA-N 0 0 354.397 2.800 20 10 FFCDRN O=S(=O)(CC1CCCC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000178557421 729164357 /nfs/dbraw/zinc/16/43/57/729164357.db2.gz FRHBDIWLXSCPDF-QGZVFWFLSA-N 0 0 353.484 2.893 20 10 FFCDRN CCOc1ccc(S(=O)(=O)N(CC)Cc2ccc(N(C)C)cc2)cn1 ZINC000181198152 729238061 /nfs/dbraw/zinc/23/80/61/729238061.db2.gz STYWQEDHLIVINB-UHFFFAOYSA-N 0 0 363.483 2.757 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)Cc2ccn(C)n2)cc1 ZINC000181351400 729244173 /nfs/dbraw/zinc/24/41/73/729244173.db2.gz DRNXYOULMGZPPE-UHFFFAOYSA-N 0 0 354.376 2.620 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(OCC(F)(F)F)nc2)c(O)c1O ZINC000181982820 729265512 /nfs/dbraw/zinc/26/55/12/729265512.db2.gz SNDCEOIJFIEKLM-UHFFFAOYSA-N 0 0 356.300 2.672 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cn4ccnc4s3)CC2)cc1F ZINC000188500926 729388829 /nfs/dbraw/zinc/38/88/29/729388829.db2.gz RVXVIKUSOYFWGF-UHFFFAOYSA-N 0 0 360.414 2.506 20 10 FFCDRN O=C(c1cn2ccnc2s1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000189000885 729394977 /nfs/dbraw/zinc/39/49/77/729394977.db2.gz ASTYMJXWLHHAEE-AWEZNQCLSA-N 0 0 357.435 2.923 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3snnc3C(C)(C)C)CC2)cc1 ZINC000191351991 729416147 /nfs/dbraw/zinc/41/61/47/729416147.db2.gz NWUWIQQFSBPWKL-UHFFFAOYSA-N 0 0 360.483 2.807 20 10 FFCDRN C[C@H]1CN(Cc2c3c(ccc2O)oc2c3CCCC2)CCS(=O)(=O)C1 ZINC000191369556 729416252 /nfs/dbraw/zinc/41/62/52/729416252.db2.gz CFFMWLLIVCZKBJ-ZDUSSCGKSA-N 0 0 363.479 2.884 20 10 FFCDRN CCc1nn(C)c(CC)c1CC(=O)NCCCSc1nccs1 ZINC000191669202 729418670 /nfs/dbraw/zinc/41/86/70/729418670.db2.gz BCEHIZQBZHEFOJ-UHFFFAOYSA-N 0 0 352.529 2.843 20 10 FFCDRN O=C(NCCOC1CCCC1)NCc1ccc(N2CCSCC2)cc1 ZINC000193735476 729488293 /nfs/dbraw/zinc/48/82/93/729488293.db2.gz JBERPFAGTGIFTF-UHFFFAOYSA-N 0 0 363.527 2.998 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC000194068871 729498788 /nfs/dbraw/zinc/49/87/88/729498788.db2.gz LGGGKXLDMWEDRP-OAHLLOKOSA-N 0 0 357.420 2.985 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cccc3cnccc32)cc1F ZINC000194624786 729516207 /nfs/dbraw/zinc/51/62/07/729516207.db2.gz BZSIMCOVNLGMDG-UHFFFAOYSA-N 0 0 359.426 2.918 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2nn(C)cc2Br)cc1 ZINC000292743981 729720255 /nfs/dbraw/zinc/72/02/55/729720255.db2.gz OFMZAWYKOGOHAJ-UHFFFAOYSA-N 0 0 351.248 2.521 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCc1cccc(O)c1 ZINC000761183293 736704415 /nfs/dbraw/zinc/70/44/15/736704415.db2.gz FFDQOWQTQUHAGB-UHFFFAOYSA-N 0 0 360.797 2.758 20 10 FFCDRN CC(=O)c1csc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000856211443 730316126 /nfs/dbraw/zinc/31/61/26/730316126.db2.gz QEABUOBHOWJRKF-UHFFFAOYSA-N 0 0 358.463 2.842 20 10 FFCDRN Cc1csc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)n1 ZINC000858365803 730423998 /nfs/dbraw/zinc/42/39/98/730423998.db2.gz SIZSQRNCZYUYNM-CQSZACIVSA-N 0 0 365.524 2.537 20 10 FFCDRN CCC(F)(F)CNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000858801654 730433939 /nfs/dbraw/zinc/43/39/39/730433939.db2.gz MRTXLRAXKUOFQA-UHFFFAOYSA-N 0 0 355.429 2.740 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1ccc(N(C)C)cc1)c1ccc(F)cc1 ZINC000858883934 730435845 /nfs/dbraw/zinc/43/58/45/730435845.db2.gz ZDRMJVIPXSUNOY-SFHVURJKSA-N 0 0 366.458 2.699 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000858913671 730436485 /nfs/dbraw/zinc/43/64/85/730436485.db2.gz KKIVXYXKIQSLLR-QGZVFWFLSA-N 0 0 354.516 2.860 20 10 FFCDRN COCC[C@@H](C)S(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000859363077 730452069 /nfs/dbraw/zinc/45/20/69/730452069.db2.gz RSPQTCLKAZYZOZ-OAHLLOKOSA-N 0 0 350.484 2.939 20 10 FFCDRN COC1CC(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000859675706 730462599 /nfs/dbraw/zinc/46/25/99/730462599.db2.gz NKIVQRLIOZDZGT-UYJPIKCFSA-N 0 0 354.397 2.798 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3C[C@]3(C)Br)CC2)cc1F ZINC000859966177 730470707 /nfs/dbraw/zinc/47/07/07/730470707.db2.gz QERFRDABWAXVLP-LRDDRELGSA-N 0 0 371.250 2.656 20 10 FFCDRN CSC[C@H](CCO)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000860164095 730483060 /nfs/dbraw/zinc/48/30/60/730483060.db2.gz FZVLQTOZDJXBTJ-INIZCTEOSA-N 0 0 360.479 2.750 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2c2noc(C)n2)c1O ZINC000779634384 738473523 /nfs/dbraw/zinc/47/35/23/738473523.db2.gz XXILPAJDSOCLLE-AWEZNQCLSA-N 0 0 351.790 2.513 20 10 FFCDRN COC(=O)C(C)(C)c1csc(NC(=O)NCc2cc(C)ccc2O)n1 ZINC000861143481 730580027 /nfs/dbraw/zinc/58/00/27/730580027.db2.gz NYJGINCSVNENBY-UHFFFAOYSA-N 0 0 363.439 2.929 20 10 FFCDRN CCC[C@@H](OCC)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000861946326 730656498 /nfs/dbraw/zinc/65/64/98/730656498.db2.gz CYUPCKFGNXJAKA-MRXNPFEDSA-N 0 0 356.413 2.623 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C(=O)N[C@H](C2CCCC2)C(F)(F)F)c1 ZINC000862025313 730662304 /nfs/dbraw/zinc/66/23/04/730662304.db2.gz SGBZMJHWOVQHMB-CQSZACIVSA-N 0 0 358.360 2.554 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[C@]3(C)Br)C2)cc1 ZINC000862035166 730663235 /nfs/dbraw/zinc/66/32/35/730663235.db2.gz KQFQQJICMOUNKZ-VMGRFDJRSA-N 0 0 367.287 2.811 20 10 FFCDRN CN(C)c1cc(F)c(CN2CC(=O)N(CCC(F)(F)F)C2)cc1F ZINC000862383503 730694878 /nfs/dbraw/zinc/69/48/78/730694878.db2.gz AJFRIXVAZKSWDI-UHFFFAOYSA-N 0 0 351.319 2.585 20 10 FFCDRN Cc1cccc(CS(=O)(=O)CCC(=O)NCc2cc(C)ccc2O)c1 ZINC000862755041 730723467 /nfs/dbraw/zinc/72/34/67/730723467.db2.gz NMYOGTMRJBVHMX-UHFFFAOYSA-N 0 0 361.463 2.630 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@H](F)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000862756393 730723744 /nfs/dbraw/zinc/72/37/44/730723744.db2.gz XAAVNTMVXXQFFY-HNNXBMFYSA-N 0 0 352.406 2.522 20 10 FFCDRN C[C@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)CN1C(=O)OC(C)(C)C ZINC000863024326 730743394 /nfs/dbraw/zinc/74/33/94/730743394.db2.gz NGXCTCARLHFLBV-NWDGAFQWSA-N 0 0 350.415 2.616 20 10 FFCDRN Cc1cc(CNC(=O)C[C@H]2CCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000863166472 730753454 /nfs/dbraw/zinc/75/34/54/730753454.db2.gz UCSNHNHQJCXLPE-MRXNPFEDSA-N 0 0 360.479 2.535 20 10 FFCDRN Cn1cc(/C=C2\SC(N3CCCCC3)=NC2=O)c(Br)n1 ZINC000863180203 730753748 /nfs/dbraw/zinc/75/37/48/730753748.db2.gz HAYLVDDYFASBJR-YFHOEESVSA-N 0 0 355.261 2.639 20 10 FFCDRN Cc1nnc(NNC(=S)Nc2ccc(OC(F)F)c(Cl)c2)n1C ZINC000863206470 730755367 /nfs/dbraw/zinc/75/53/67/730755367.db2.gz SKEOSXNTMUUMJH-UHFFFAOYSA-N 0 0 362.793 2.692 20 10 FFCDRN C[C@H]([NH3+])CN(C)Cc1cc(Br)cc(Br)c1[O-] ZINC000863652340 730799182 /nfs/dbraw/zinc/79/91/82/730799182.db2.gz RNLXAEMJKQSYOS-ZETCQYMHSA-N 0 0 352.070 2.696 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C(=O)[O-])[C@H](C)C2)c1O ZINC000863739254 730805584 /nfs/dbraw/zinc/80/55/84/730805584.db2.gz JOVGWXHJFXXDGS-BXKDBHETSA-N 0 0 358.232 2.706 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H]3COC(=O)[C@@H]3C2)c(C)n1-c1ccc(Cl)cc1 ZINC000863762765 730807005 /nfs/dbraw/zinc/80/70/05/730807005.db2.gz DUWVGEIMSDXESX-CXAGYDPISA-N 0 0 358.825 2.993 20 10 FFCDRN CC[NH+]1CCN(c2ccc(CNc3ncc(C(=O)[O-])s3)cc2F)CC1 ZINC000864511506 730855162 /nfs/dbraw/zinc/85/51/62/730855162.db2.gz AGAHCCLOOQZQRM-UHFFFAOYSA-N 0 0 364.446 2.734 20 10 FFCDRN COc1cncc(C(=O)NCc2ccc(N3CCSCC3)cc2)c1C ZINC000864918320 730891609 /nfs/dbraw/zinc/89/16/09/730891609.db2.gz DZRXDKYEYYXKFI-UHFFFAOYSA-N 0 0 357.479 2.882 20 10 FFCDRN Oc1cccc2c1CN(C(=S)NCCc1ccc3c(c1)OCCO3)C2 ZINC000865259037 730931759 /nfs/dbraw/zinc/93/17/59/730931759.db2.gz WUXWITAMTNPEJZ-UHFFFAOYSA-N 0 0 356.447 2.596 20 10 FFCDRN Brc1ncccc1CNCc1ccc(N2CCOCC2)cc1 ZINC000865428744 730953751 /nfs/dbraw/zinc/95/37/51/730953751.db2.gz ZUNQKIYTARSMHE-UHFFFAOYSA-N 0 0 362.271 2.971 20 10 FFCDRN CC(C)(C)c1nnc(C(=O)NCc2cc(Br)ccc2O)o1 ZINC000865994748 731019615 /nfs/dbraw/zinc/01/96/15/731019615.db2.gz QGDSQFXDCOFELU-UHFFFAOYSA-N 0 0 354.204 2.765 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000866428985 731059216 /nfs/dbraw/zinc/05/92/16/731059216.db2.gz HQEHJFJZEXYIDN-UHFFFAOYSA-N 0 0 367.496 2.660 20 10 FFCDRN CC[C@H]([NH2+]CCCS(=O)(=O)NC)c1ccc(Cl)c(Cl)c1[O-] ZINC000866457759 731062499 /nfs/dbraw/zinc/06/24/99/731062499.db2.gz UIBKXTFVOBGGOD-NSHDSACASA-N 0 0 355.287 2.679 20 10 FFCDRN CC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)NC)cc1)c1ccc(F)cc1[O-] ZINC000866576895 731075966 /nfs/dbraw/zinc/07/59/66/731075966.db2.gz BDWTTYONPCRNGO-QGZVFWFLSA-N 0 0 366.458 2.723 20 10 FFCDRN CCO[C@H](C(=O)NCc1cccc(Br)c1O)C1CCOCC1 ZINC000867830561 731231427 /nfs/dbraw/zinc/23/14/27/731231427.db2.gz BXZJZHSBFROLIK-HNNXBMFYSA-N 0 0 372.259 2.603 20 10 FFCDRN COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2O)cc1OC ZINC000867833822 731231902 /nfs/dbraw/zinc/23/19/02/731231902.db2.gz BNKNDSXONOTSDE-LBPRGKRZSA-N 0 0 351.424 2.757 20 10 FFCDRN C[C@@H](NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1O ZINC000867835059 731232146 /nfs/dbraw/zinc/23/21/46/731232146.db2.gz ZZKVGXVWLPYUEP-VBHSOAQHSA-N 0 0 351.468 2.768 20 10 FFCDRN CO[C@@H](CS(=O)(=O)N[C@@H](C)c1ccccc1O)c1ccc(F)cc1 ZINC000867836467 731232442 /nfs/dbraw/zinc/23/24/42/731232442.db2.gz UKJVUNKMFHMZMH-SJCJKPOMSA-N 0 0 353.415 2.899 20 10 FFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000868839214 731337204 /nfs/dbraw/zinc/33/72/04/731337204.db2.gz ZSBJEZILLDZRKN-BEAPCOKYSA-N 0 0 350.409 2.710 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(Cl)nc3)CC2)c(OC)c1 ZINC000870162778 731477509 /nfs/dbraw/zinc/47/75/09/731477509.db2.gz MWCUKINJJNWJKH-UHFFFAOYSA-N 0 0 361.829 2.715 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN(Cc2ccc(O)c(Cl)c2)CC1 ZINC000870163006 731477576 /nfs/dbraw/zinc/47/75/76/731477576.db2.gz VRAFTTPPFQBNAH-UHFFFAOYSA-N 0 0 352.843 2.771 20 10 FFCDRN C[C@H](CC(=O)N1Cc2cccc(O)c2C1)S(=O)(=O)c1ccc(F)cc1 ZINC000871202275 731605621 /nfs/dbraw/zinc/60/56/21/731605621.db2.gz CAXDPMWRJNPVRI-GFCCVEGCSA-N 0 0 363.410 2.626 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](C3CCC3)CC2)c1 ZINC000871223507 731608708 /nfs/dbraw/zinc/60/87/08/731608708.db2.gz XDCHNFMRWVQFNJ-AWEZNQCLSA-N 0 0 366.483 2.806 20 10 FFCDRN CCOC(=O)C1=CC[C@@H](NC(=O)NCCCSc2nccs2)C1 ZINC000875374369 732149299 /nfs/dbraw/zinc/14/92/99/732149299.db2.gz IXFVFFXYERKOHZ-GFCCVEGCSA-N 0 0 355.485 2.576 20 10 FFCDRN Cc1ccc(C(=O)NCCc2nc(-c3ccncc3)cs2)c(O)c1O ZINC000780918494 738588111 /nfs/dbraw/zinc/58/81/11/738588111.db2.gz JPLDUVGFXKPXGK-UHFFFAOYSA-N 0 0 355.419 2.897 20 10 FFCDRN Cc1ccc(C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)c(O)c1O ZINC000780931621 738589254 /nfs/dbraw/zinc/58/92/54/738589254.db2.gz BFZACIPFODLHRX-GFCCVEGCSA-N 0 0 350.415 2.536 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)c1 ZINC000780937338 738589678 /nfs/dbraw/zinc/58/96/78/738589678.db2.gz VLZHNLNOPYZRDP-SMDDNHRTSA-N 0 0 350.415 2.587 20 10 FFCDRN CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]Cc2ccc(F)c(F)c2[O-])s1 ZINC000877524254 732380126 /nfs/dbraw/zinc/38/01/26/732380126.db2.gz SWXOQZPIOXUKCU-RKDXNWHRSA-N 0 0 370.425 2.837 20 10 FFCDRN OC1CCN(c2ccc(CN3CCO[C@@H](CC(F)(F)F)C3)cc2)CC1 ZINC000877640296 732403547 /nfs/dbraw/zinc/40/35/47/732403547.db2.gz XGLHZLOOXAJDTC-KRWDZBQOSA-N 0 0 358.404 2.801 20 10 FFCDRN O=C1N[C@H](c2cc(Br)ccc2O)N2CCc3ccccc3[C@H]12 ZINC000877856096 732445258 /nfs/dbraw/zinc/44/52/58/732445258.db2.gz OFUFIOZLKSMKQZ-CVEARBPZSA-N 0 0 359.223 2.883 20 10 FFCDRN Cn1nc2c(c1C(=O)NCc1ccc(N3CCCC3)cc1)CSCC2 ZINC000878219091 732500268 /nfs/dbraw/zinc/50/02/68/732500268.db2.gz GGMRUNNNWZIUQQ-UHFFFAOYSA-N 0 0 356.495 2.740 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cc(C(F)F)n[nH]1 ZINC000878293059 732509922 /nfs/dbraw/zinc/50/99/22/732509922.db2.gz WHWQXKGGFBIZIJ-UHFFFAOYSA-N 0 0 352.410 2.831 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ncsc1C1CC1 ZINC000878312735 732512765 /nfs/dbraw/zinc/51/27/65/732512765.db2.gz QMLORMUPBDTVBQ-UHFFFAOYSA-N 0 0 361.442 2.926 20 10 FFCDRN COC(=O)[C@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000781594453 738639691 /nfs/dbraw/zinc/63/96/91/738639691.db2.gz MVOHDYJDUYHJJQ-CZUORRHYSA-N 0 0 354.397 2.798 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCC(C)(C)CS(C)(=O)=O ZINC000926740134 738650006 /nfs/dbraw/zinc/65/00/06/738650006.db2.gz AMYAVFXIWRAUQR-UHFFFAOYSA-N 0 0 370.515 2.775 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)Cn2cc(-c3ccsc3)nn2)cc1 ZINC000881084397 733010178 /nfs/dbraw/zinc/01/01/78/733010178.db2.gz UGUTZGFIXSVUBK-UHFFFAOYSA-N 0 0 355.467 2.731 20 10 FFCDRN CC(=O)NCC1CC[NH+](Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781902281 738669735 /nfs/dbraw/zinc/66/97/35/738669735.db2.gz PWFSQHQLOHJKOK-UHFFFAOYSA-N 0 0 355.276 2.811 20 10 FFCDRN COCCOC[C@H]1CC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781908370 738670690 /nfs/dbraw/zinc/67/06/90/738670690.db2.gz MEIYQMJSQMUMIE-ZDUSSCGKSA-N 0 0 358.276 2.948 20 10 FFCDRN C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1cc(Br)cc(Cl)c1[O-] ZINC000926976765 738677045 /nfs/dbraw/zinc/67/70/45/738677045.db2.gz AXXGZIFMVJYFKA-IUCAKERBSA-N 0 0 361.667 2.985 20 10 FFCDRN C[S@](=O)(=NS(=O)(=O)Nc1ccc(O)c(F)c1F)C1CCCCC1 ZINC000882737596 733284328 /nfs/dbraw/zinc/28/43/28/733284328.db2.gz QDSHPALRYGKKGP-JOCHJYFZSA-N 0 0 368.427 2.758 20 10 FFCDRN COc1cc([C@@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])ccc1OCCO ZINC000882917016 733311305 /nfs/dbraw/zinc/31/13/05/733311305.db2.gz BMQTWTYCJHWDCT-LLVKDONJSA-N 0 0 353.365 2.901 20 10 FFCDRN CC(C)(C)[S@](=O)CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883008250 733320375 /nfs/dbraw/zinc/32/03/75/733320375.db2.gz VQUPMNWFRLCBEG-LJQANCHMSA-N 0 0 352.269 2.931 20 10 FFCDRN O=S(=O)(NC1CC1)c1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000883089371 733331174 /nfs/dbraw/zinc/33/11/74/733331174.db2.gz HXSKGUVSFISQSJ-UHFFFAOYSA-N 0 0 354.378 2.723 20 10 FFCDRN CC(C)(C)[C@H](O)C[C@@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883113653 733336321 /nfs/dbraw/zinc/33/63/21/733336321.db2.gz ZKCCNAPMPXXPMI-WCQYABFASA-N 0 0 364.255 2.541 20 10 FFCDRN CCCN1C[C@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])CC1=O ZINC000883147160 733342401 /nfs/dbraw/zinc/34/24/01/733342401.db2.gz MQSMAIXBLZONAA-JTQLQIEISA-N 0 0 359.239 2.642 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883365456 733374219 /nfs/dbraw/zinc/37/42/19/733374219.db2.gz BEQNAEPDZGDIAI-QMMMGPOBSA-N 0 0 364.108 2.803 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CCS1 ZINC000927260541 738711916 /nfs/dbraw/zinc/71/19/16/738711916.db2.gz LVSXHFONGRWVKG-WBVHZDCISA-N 0 0 363.527 2.949 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCC2(CCOCC2)CO1 ZINC000883823000 733444773 /nfs/dbraw/zinc/44/47/73/733444773.db2.gz QGDLRWDYVMKQOZ-OAHLLOKOSA-N 0 0 368.861 2.821 20 10 FFCDRN CS(=O)(=O)c1cccnc1CNC(=S)Nc1ccccc1Cl ZINC000782428751 738720866 /nfs/dbraw/zinc/72/08/66/738720866.db2.gz ZPAFJJMPFSMVTE-UHFFFAOYSA-N 0 0 355.872 2.625 20 10 FFCDRN CCOC(=O)C1(C(F)(F)F)CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000884747620 733558094 /nfs/dbraw/zinc/55/80/94/733558094.db2.gz XMLMTBRXQZXUNZ-UHFFFAOYSA-N 0 0 351.346 2.802 20 10 FFCDRN C[C@@H]1C[C@]2(CC[C@H](C[NH2+]Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])O2)CO1 ZINC000886333740 733775147 /nfs/dbraw/zinc/77/51/47/733775147.db2.gz MQVZDBFDIWBHHZ-CKUKBARFSA-N 0 0 356.806 2.770 20 10 FFCDRN C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1c([O-])cccc1F ZINC000886615303 733810002 /nfs/dbraw/zinc/81/00/02/733810002.db2.gz CSYSLOPAYYWTMW-SNVBAGLBSA-N 0 0 355.207 2.806 20 10 FFCDRN C[C@H]([NH2+][C@@H](CO)C[C@H]1CCCO1)c1cc(Br)cc(F)c1[O-] ZINC000886669706 733814791 /nfs/dbraw/zinc/81/47/91/733814791.db2.gz CKLXNBMXFFQGSE-MVWJERBFSA-N 0 0 362.239 2.874 20 10 FFCDRN C[C@H]1CO[C@@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000888857906 734106503 /nfs/dbraw/zinc/10/65/03/734106503.db2.gz JLUWRHCMUHRJJI-MLGOLLRUSA-N 0 0 354.397 2.798 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)C1CCN(C(=O)N2CCCC2)CC1 ZINC000890757443 734336445 /nfs/dbraw/zinc/33/64/45/734336445.db2.gz DLVGGKGCEMLIEZ-UHFFFAOYSA-N 0 0 365.861 2.590 20 10 FFCDRN CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890757754 734336452 /nfs/dbraw/zinc/33/64/52/734336452.db2.gz KPFXIOHNKKCHBQ-QGZVFWFLSA-N 0 0 358.825 2.635 20 10 FFCDRN C[C@H](CN1CCCC1=O)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000708158512 734362469 /nfs/dbraw/zinc/36/24/69/734362469.db2.gz RPRWDXLPHVNBGU-SECBINFHSA-N 0 0 361.667 2.909 20 10 FFCDRN COc1ccc(NC(=S)NNc2ccc(S(C)(=O)=O)cc2)cc1F ZINC000726459933 734426626 /nfs/dbraw/zinc/42/66/26/734426626.db2.gz UAHAODNYLZHYRF-UHFFFAOYSA-N 0 0 369.443 2.551 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CNC(=O)c2cccc(Cl)c2)c1 ZINC000728984270 734552908 /nfs/dbraw/zinc/55/29/08/734552908.db2.gz OPDQKIWTFCHVOO-LLVKDONJSA-N 0 0 362.813 2.661 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000729534931 734582745 /nfs/dbraw/zinc/58/27/45/734582745.db2.gz GERVXZHJWXCOLM-LLVKDONJSA-N 0 0 352.431 2.881 20 10 FFCDRN NC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1ccc(Br)cc1 ZINC000729676620 734589901 /nfs/dbraw/zinc/58/99/01/734589901.db2.gz PQOPPHVILZSTCL-MRXNPFEDSA-N 0 0 361.239 2.700 20 10 FFCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 ZINC000731911565 734704895 /nfs/dbraw/zinc/70/48/95/734704895.db2.gz LZBVHPZSZXXIGV-SSDOTTSWSA-N 0 0 354.315 2.685 20 10 FFCDRN COCCCS(=O)(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000732216241 734724302 /nfs/dbraw/zinc/72/43/02/734724302.db2.gz MXDYANBZNMHVOG-UHFFFAOYSA-N 0 0 350.484 2.593 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000732277836 734729461 /nfs/dbraw/zinc/72/94/61/734729461.db2.gz TWRHYILVIILLTB-UHFFFAOYSA-N 0 0 356.447 2.895 20 10 FFCDRN O=C(NC[C@@H](c1cccc(Cl)c1)N1CCOCC1)C1=CC(=O)CS1 ZINC000732283179 734730463 /nfs/dbraw/zinc/73/04/63/734730463.db2.gz RAPVMIDOGFPOCU-HNNXBMFYSA-N 0 0 366.870 2.910 20 10 FFCDRN O=C(COC(=O)C1=CC(=O)CS1)N1CCc2[nH]c3ccccc3c2C1 ZINC000732352674 734736454 /nfs/dbraw/zinc/73/64/54/734736454.db2.gz BFRRUVVATAFDMH-UHFFFAOYSA-N 0 0 356.403 2.677 20 10 FFCDRN C[C@@H](OC(=O)C1=CC(=O)CS1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC000732353430 734736883 /nfs/dbraw/zinc/73/68/83/734736883.db2.gz OQSDCDHIPZPFCF-SSDOTTSWSA-N 0 0 371.317 2.959 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000893752035 734746551 /nfs/dbraw/zinc/74/65/51/734746551.db2.gz IYVWKDUZOGPYPC-BLLLJJGKSA-N 0 0 356.875 2.900 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CCOC2(CCOCC2)C1 ZINC000893754965 734746875 /nfs/dbraw/zinc/74/68/75/734746875.db2.gz IYLOHMBZEKBSAX-ZDUSSCGKSA-N 0 0 354.834 2.573 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000894016391 734787077 /nfs/dbraw/zinc/78/70/77/734787077.db2.gz DNWGLHXJFDRANT-GFCCVEGCSA-N 0 0 364.667 2.781 20 10 FFCDRN Cc1cc(CCNC(=O)CNCC(F)(F)F)c(C)n1-c1ccccc1 ZINC000733126552 734791954 /nfs/dbraw/zinc/79/19/54/734791954.db2.gz VMHFCBYDTBLLBZ-UHFFFAOYSA-N 0 0 353.388 2.905 20 10 FFCDRN COCCOC[C@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894070156 734795917 /nfs/dbraw/zinc/79/59/17/734795917.db2.gz OXXUJSYCOQNUMC-NSHDSACASA-N 0 0 362.239 2.779 20 10 FFCDRN O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2[O-])CN1 ZINC000894093575 734799925 /nfs/dbraw/zinc/79/99/25/734799925.db2.gz FTQUYTPXIIAGIV-YGRLFVJLSA-N 0 0 371.250 2.784 20 10 FFCDRN CC(C)[C@H](C(=O)NCCCSc1nccs1)N1C[C@@H](C)O[C@H](C)C1 ZINC000733878608 734855521 /nfs/dbraw/zinc/85/55/21/734855521.db2.gz BHJVFXOVVOXOAK-RBSFLKMASA-N 0 0 371.572 2.875 20 10 FFCDRN C[C@@H](CC(=O)NCCCSc1nccs1)NC(=O)c1ccccc1 ZINC000733884692 734856345 /nfs/dbraw/zinc/85/63/45/734856345.db2.gz URMLHXCWQVGCQU-ZDUSSCGKSA-N 0 0 363.508 2.950 20 10 FFCDRN C[C@H](NC(=O)c1csc2cncn21)c1ccc(N2CCOCC2)cc1 ZINC000733925907 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COc1cccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c1OC ZINC000906948605 736564023 /nfs/dbraw/zinc/56/40/23/736564023.db2.gz VGVVBEHOZDWOLR-UHFFFAOYSA-N 0 0 364.467 2.557 20 10 FFCDRN O=C(NCCCSc1nccs1)NC1CCC2(CC1)OCCO2 ZINC000759549027 736576193 /nfs/dbraw/zinc/57/61/93/736576193.db2.gz AFPNWAHNEVAPKG-UHFFFAOYSA-N 0 0 357.501 2.610 20 10 FFCDRN Cc1ncsc1-c1nc(COC(=O)/C=C\c2ccc(O)c(O)c2)no1 ZINC000759592836 736579412 /nfs/dbraw/zinc/57/94/12/736579412.db2.gz AMABFPBIHFYJJI-HYXAFXHYSA-N 0 0 359.363 2.669 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC[C@@H](n2ccnc2)C1 ZINC000759601228 736580115 /nfs/dbraw/zinc/58/01/15/736580115.db2.gz MNIAODZTYXXDEB-CYBMUJFWSA-N 0 0 351.501 2.869 20 10 FFCDRN COC(=O)[C@@H](CC(C)C)NC(=O)CN(C)c1ccc(OC(C)C)cc1 ZINC000759915608 736603453 /nfs/dbraw/zinc/60/34/53/736603453.db2.gz QAHBPSBZTCBHRY-QGZVFWFLSA-N 0 0 350.459 2.614 20 10 FFCDRN CC1(C)CCC(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000760863099 736675790 /nfs/dbraw/zinc/67/57/90/736675790.db2.gz PDLRRXLQOBEGRW-UHFFFAOYSA-N 0 0 354.472 2.710 20 10 FFCDRN CCOc1cc(C(=O)NCCc2ccc(O)c(O)c2)cc(Cl)c1O ZINC000762623933 736846621 /nfs/dbraw/zinc/84/66/21/736846621.db2.gz UTCIVXNGEGWNJG-UHFFFAOYSA-N 0 0 351.786 2.828 20 10 FFCDRN O=C(NCCc1ccncc1)NCc1ccc(N2CCSCC2)cc1 ZINC000762653553 736850846 /nfs/dbraw/zinc/85/08/46/736850846.db2.gz HDLHELIITBOHPI-UHFFFAOYSA-N 0 0 356.495 2.677 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@@H]23)c1 ZINC000763017352 736891884 /nfs/dbraw/zinc/89/18/84/736891884.db2.gz AVRCNHKOFGVFHG-SNPRPXQTSA-N 0 0 354.497 2.580 20 10 FFCDRN CC(C)c1nnc([C@H](C)NC(=O)NCCCSc2nccs2)[nH]1 ZINC000763027498 736893252 /nfs/dbraw/zinc/89/32/52/736893252.db2.gz DKNPCTYFZGBDEI-JTQLQIEISA-N 0 0 354.505 2.927 20 10 FFCDRN CCS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1 ZINC000763046737 736895534 /nfs/dbraw/zinc/89/55/34/736895534.db2.gz SYBJTZULFNAWPN-LBPRGKRZSA-N 0 0 363.435 2.685 20 10 FFCDRN C[C@H]1CN(S(=O)(=O)c2cccc3nonc32)c2cc(Cl)ccc2O1 ZINC000765097575 737082404 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FFCDRN COCc1ncc(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000819591664 742411508 /nfs/dbraw/zinc/41/15/08/742411508.db2.gz UXDOJIGFMXOGCP-ZDUSSCGKSA-N 0 0 361.467 2.554 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1csc([N+](=O)[O-])c1 ZINC000819694070 742424198 /nfs/dbraw/zinc/42/41/98/742424198.db2.gz YYQUCCHKIVLSSH-UHFFFAOYSA-N 0 0 364.379 2.567 20 10 FFCDRN COC(=O)c1cnc([C@@H](C)NCc2cc(OC)c(OC)cc2O)s1 ZINC000822497969 742743960 /nfs/dbraw/zinc/74/39/60/742743960.db2.gz QMDBHSKXQQIASN-SECBINFHSA-N 0 0 352.412 2.503 20 10 FFCDRN O=C(Cc1ccc(O)c(F)c1)NCc1ccc(N2CCSCC2)cc1 ZINC000822586500 742755118 /nfs/dbraw/zinc/75/51/18/742755118.db2.gz QPJMRRRRRPPLQD-UHFFFAOYSA-N 0 0 360.454 2.943 20 10 FFCDRN Cn1cc(C(=O)NCc2ccc(N3CCSCC3)cc2)c(Cl)n1 ZINC000822586559 742755278 /nfs/dbraw/zinc/75/52/78/742755278.db2.gz SQWNBOKEZSULPG-UHFFFAOYSA-N 0 0 350.875 2.557 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Cc3cscn3)cc2F)C[C@@H](C)O1 ZINC000822688419 742770039 /nfs/dbraw/zinc/77/00/39/742770039.db2.gz 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CCS(=O)(=O)c1ccc(CN2CCOc3cc(N(C)C)ccc32)cc1 ZINC000828538338 745082673 /nfs/dbraw/zinc/08/26/73/745082673.db2.gz KUOQTTGDIKAQNX-UHFFFAOYSA-N 0 0 360.479 2.945 20 10 FFCDRN CC1=NO[C@@H](C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000829026384 745156870 /nfs/dbraw/zinc/15/68/70/745156870.db2.gz JFUBCYWTQRBCER-IUODEOHRSA-N 0 0 353.369 2.538 20 10 FFCDRN COC1CCN(c2ccc(CN3CC[C@H](C)[S@](=O)CC3)cc2)CC1 ZINC000829233600 745181799 /nfs/dbraw/zinc/18/17/99/745181799.db2.gz CGGPZLAMUYEHKH-UPCLLVRISA-N 0 0 350.528 2.645 20 10 FFCDRN COC1CCN(c2ccc(CN3CC[C@@H](C)[S@@](=O)CC3)cc2)CC1 ZINC000829233599 745181841 /nfs/dbraw/zinc/18/18/41/745181841.db2.gz CGGPZLAMUYEHKH-GYCJOSAFSA-N 0 0 350.528 2.645 20 10 FFCDRN Cc1cc(C(=O)CN(CCO)CC(F)F)c(C)n1-c1ccc(Cl)cn1 ZINC000829352514 745196309 /nfs/dbraw/zinc/19/63/09/745196309.db2.gz PDARVIWEEYFRPC-UHFFFAOYSA-N 0 0 371.815 2.885 20 10 FFCDRN COc1ccc(CNS(=O)(=O)C2CCC(C(F)(F)F)CC2)c(O)c1 ZINC000831348201 745518387 /nfs/dbraw/zinc/51/83/87/745518387.db2.gz 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ZINC000835069528 745943783 /nfs/dbraw/zinc/94/37/83/745943783.db2.gz BAXFKURHEDSQPF-NSHDSACASA-N 0 0 364.243 2.975 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cncc(Cl)c1C ZINC000835130758 745956213 /nfs/dbraw/zinc/95/62/13/745956213.db2.gz ITETUWLSQNDROM-UHFFFAOYSA-N 0 0 360.845 2.673 20 10 FFCDRN CC[C@@](C)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)OC ZINC000836241754 746172780 /nfs/dbraw/zinc/17/27/80/746172780.db2.gz HUKPCEJFESVEEP-SFHVURJKSA-N 0 0 351.516 2.854 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)COCC1CCCC1 ZINC000836782254 746304721 /nfs/dbraw/zinc/30/47/21/746304721.db2.gz YHBKZMWGFKCRBF-UHFFFAOYSA-N 0 0 369.845 2.754 20 10 FFCDRN CCS(=O)(=O)C1CN(C(=O)c2cc(C)n(-c3ccccc3C)c2C)C1 ZINC000836903754 746328052 /nfs/dbraw/zinc/32/80/52/746328052.db2.gz MUDCUKJUEDYLKA-UHFFFAOYSA-N 0 0 360.479 2.662 20 10 FFCDRN Cc1cc(C(=O)N2CC[S@](=O)C(C)(C)CC2)c(C)n1-c1ccccn1 ZINC000836962573 746339038 /nfs/dbraw/zinc/33/90/38/746339038.db2.gz RMQSYMJDQBVXNN-VWLOTQADSA-N 0 0 359.495 2.862 20 10 FFCDRN CCn1nc(C)c(COC(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000837631821 746489557 /nfs/dbraw/zinc/48/95/57/746489557.db2.gz YVXNBFQDPAZENH-UHFFFAOYSA-N 0 0 357.439 2.593 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[S@](=O)C(C)(C)CC1 ZINC000838477332 746646954 /nfs/dbraw/zinc/64/69/54/746646954.db2.gz FZTBRYPTDCKKCJ-DEOSSOPVSA-N 0 0 351.516 2.504 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000838512935 746655638 /nfs/dbraw/zinc/65/56/38/746655638.db2.gz BDAQYKKILXNEFG-ZIAGYGMSSA-N 0 0 355.529 2.722 20 10 FFCDRN CC[C@@H](NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1)C(F)F ZINC000838738418 746703539 /nfs/dbraw/zinc/70/35/39/746703539.db2.gz CVLFGMTWPGMJDK-CYBMUJFWSA-N 0 0 363.355 2.644 20 10 FFCDRN C[C@@H]1C[C@H](C)N(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838746970 746705438 /nfs/dbraw/zinc/70/54/38/746705438.db2.gz NJQOYQXGLXPOBJ-OLZOCXBDSA-N 0 0 353.413 2.741 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C[C@H]1C ZINC000838747703 746705954 /nfs/dbraw/zinc/70/59/54/746705954.db2.gz VZFXAMJZPDGEAM-BETUJISGSA-N 0 0 353.413 2.599 20 10 FFCDRN O=C1CCN(Cc2ccc(N3CCCCC3)c(Br)c2)CCN1 ZINC000838818984 746718122 /nfs/dbraw/zinc/71/81/22/746718122.db2.gz FUSZBRVVMDZSHG-UHFFFAOYSA-N 0 0 366.303 2.761 20 10 FFCDRN Cc1cnc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000839633321 746875687 /nfs/dbraw/zinc/87/56/87/746875687.db2.gz HKXGKCHJJSIUFU-LBPRGKRZSA-N 0 0 360.483 2.512 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C)nn1 ZINC000839693222 746895697 /nfs/dbraw/zinc/89/56/97/746895697.db2.gz CQMVPAGVLPOFNW-UHFFFAOYSA-N 0 0 350.216 2.915 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000839922585 746961595 /nfs/dbraw/zinc/96/15/95/746961595.db2.gz WJFFGLYOJPWLHC-ZIAGYGMSSA-N 0 0 359.436 2.991 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@H]([C@@H](C)O)C2)c(C)n1-c1cccc(Cl)c1 ZINC000839929020 746962424 /nfs/dbraw/zinc/96/24/24/746962424.db2.gz VJXLEHUXSYXHGI-RDTXWAMCSA-N 0 0 362.857 2.969 20 10 FFCDRN C[C@H]1[C@H](CO)CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000840257354 747049702 /nfs/dbraw/zinc/04/97/02/747049702.db2.gz IDOYQIVVEZLCJF-RDJZCZTQSA-N 0 0 363.527 2.542 20 10 FFCDRN C[C@@H](NC(=O)NCc1cccc(Br)c1O)c1csnn1 ZINC000840461858 747100310 /nfs/dbraw/zinc/10/03/10/747100310.db2.gz PKIRGWSZLPWZDM-SSDOTTSWSA-N 0 0 357.233 2.567 20 10 FFCDRN Cc1nc(SCCC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)n[nH]1 ZINC000840554473 747124202 /nfs/dbraw/zinc/12/42/02/747124202.db2.gz BOYMESNTPGWPJZ-CYBMUJFWSA-N 0 0 361.515 2.717 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1cc(Br)cc(Cl)c1[O-] ZINC000840825567 747193149 /nfs/dbraw/zinc/19/31/49/747193149.db2.gz HIVDBCYMOAMWLX-BDAKNGLRSA-N 0 0 361.667 2.985 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccc2c(n1)CCC2 ZINC000840905832 747220388 /nfs/dbraw/zinc/22/03/88/747220388.db2.gz UERUUFOBEFQOFD-UHFFFAOYSA-N 0 0 357.797 2.898 20 10 FFCDRN COCc1cc(O)ccc1NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000840916176 747223972 /nfs/dbraw/zinc/22/39/72/747223972.db2.gz YEQFSWJRHAYLBW-UHFFFAOYSA-N 0 0 367.423 2.665 20 10 FFCDRN COc1c(O)c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000840997731 747252978 /nfs/dbraw/zinc/25/29/78/747252978.db2.gz HXUYOTRDDCLSEE-QKCSRTOESA-N 0 0 350.371 2.527 20 10 FFCDRN Nc1ccc(CCNC(=O)Nc2ccnc(OCC(F)(F)F)c2)cc1 ZINC000841174271 747289352 /nfs/dbraw/zinc/28/93/52/747289352.db2.gz VGPUEDINFAZINR-UHFFFAOYSA-N 0 0 354.332 2.969 20 10 FFCDRN O=S(=O)(NCc1cc(F)c(N2CCOCC2)c(F)c1)C1CCCCC1 ZINC000841537706 747389459 /nfs/dbraw/zinc/38/94/59/747389459.db2.gz WDYKVDHGGKQGPZ-UHFFFAOYSA-N 0 0 374.453 2.554 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000841568604 747405295 /nfs/dbraw/zinc/40/52/95/747405295.db2.gz COHWJYXEESOACS-ZBFHGGJFSA-N 0 0 353.532 2.558 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)N1CCCC[C@@H]1C ZINC000841569663 747406657 /nfs/dbraw/zinc/40/66/57/747406657.db2.gz NLWOURQZKQVUHC-CVEARBPZSA-N 0 0 353.532 2.701 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)N1CCCCCC1 ZINC000841569753 747406669 /nfs/dbraw/zinc/40/66/69/747406669.db2.gz OJMWQJFCOIUIIK-INIZCTEOSA-N 0 0 353.532 2.702 20 10 FFCDRN CCOC[C@H](C)CS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000841570462 747407358 /nfs/dbraw/zinc/40/73/58/747407358.db2.gz RVHMNMBBQSBDIK-GOEBONIOSA-N 0 0 356.532 2.584 20 10 FFCDRN CNS(=O)(=O)c1cc(NCc2ccc(N(C)C)c(F)c2)ccc1F ZINC000842217017 747549935 /nfs/dbraw/zinc/54/99/35/747549935.db2.gz IBUYFGBMQOQMNR-UHFFFAOYSA-N 0 0 355.410 2.551 20 10 FFCDRN CC[C@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](C)O ZINC000842229377 747552212 /nfs/dbraw/zinc/55/22/12/747552212.db2.gz IGQDZOZVSVFCHS-LRDDRELGSA-N 0 0 356.413 2.780 20 10 FFCDRN CC[C@@H](C)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)OC ZINC000842249120 747556363 /nfs/dbraw/zinc/55/63/63/747556363.db2.gz DPHLHZHYKLGREO-ABAIWWIYSA-N 0 0 354.834 2.871 20 10 FFCDRN Cc1cc(Cn2cc(S(C)(=O)=O)ccc2=O)ccc1N1CCCCC1 ZINC000842575461 747630628 /nfs/dbraw/zinc/63/06/28/747630628.db2.gz LGPLSPMESPKJSU-UHFFFAOYSA-N 0 0 360.479 2.599 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)CCO)c(C)n1-c1ccc(Br)cn1 ZINC000843826720 747905227 /nfs/dbraw/zinc/90/52/27/747905227.db2.gz VZZPFYWUPZRLAX-SNVBAGLBSA-N 0 0 366.259 2.752 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 ZINC000843880478 747919207 /nfs/dbraw/zinc/91/92/07/747919207.db2.gz PZWKFLXHRPKKLY-HNAYVOBHSA-N 0 0 362.495 2.975 20 10 FFCDRN C[C@H]1CCn2ncc(C(=O)NCc3cc(Br)ccc3O)c2C1 ZINC000843884400 747919571 /nfs/dbraw/zinc/91/95/71/747919571.db2.gz BVDHILKEMNFDEZ-JTQLQIEISA-N 0 0 364.243 2.864 20 10 FFCDRN CO[C@@H]1CCC[C@H]([C@H]2NC(=O)N(CCCSc3nccs3)C2=O)C1 ZINC000844715355 748081718 /nfs/dbraw/zinc/08/17/18/748081718.db2.gz HZNMEBCGYMQGSM-YNEHKIRRSA-N 0 0 369.512 2.751 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)CCn2cc(Cl)cn2)cc1 ZINC000844855156 748117825 /nfs/dbraw/zinc/11/78/25/748117825.db2.gz ZCNJYTVMASZJDK-UHFFFAOYSA-N 0 0 350.850 2.530 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H](C)C(=O)OC(C)(C)C)cc1 ZINC000844856657 748117876 /nfs/dbraw/zinc/11/78/76/748117876.db2.gz LHPOXMARYWNMDI-AWEZNQCLSA-N 0 0 350.459 2.568 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844969811 748150190 /nfs/dbraw/zinc/15/01/90/748150190.db2.gz WLFJGIJTIZKZNC-CYBMUJFWSA-N 0 0 369.849 2.854 20 10 FFCDRN O=C(COC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc(O)c(O)c1 ZINC000845316013 748225738 /nfs/dbraw/zinc/22/57/38/748225738.db2.gz FAMCKYHVIKRTFA-WDEREUQCSA-N 0 0 362.300 2.571 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@]2(CO)CCc3ccccc32)c1[O-] ZINC000846011719 748382229 /nfs/dbraw/zinc/38/22/29/748382229.db2.gz ORCYSMKZWVNGRT-SFHVURJKSA-N 0 0 362.813 2.920 20 10 FFCDRN Cc1ncc2n1C[C@H](C(=O)NCc1cccc(Br)c1O)CC2 ZINC000846016533 748383306 /nfs/dbraw/zinc/38/33/06/748383306.db2.gz VLQCZXNNLIMJNP-GFCCVEGCSA-N 0 0 364.243 2.538 20 10 FFCDRN CC[C@H]([NH2+][C@@H]1CCN(S(C)(=O)=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000846186131 748425770 /nfs/dbraw/zinc/42/57/70/748425770.db2.gz DSDZWXWWNQFWOO-SKDRFNHKSA-N 0 0 367.298 2.774 20 10 FFCDRN CNc1cc(C(=O)N(C)CCN(C)c2ccc(OC)cc2)cc(Cl)n1 ZINC000846446065 748480807 /nfs/dbraw/zinc/48/08/07/748480807.db2.gz IDRHJCOXLWQIKA-UHFFFAOYSA-N 0 0 362.861 2.994 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)c2sccc2-n2c(C)ccc2C)C[C@H](C)O1 ZINC000846484578 748490152 /nfs/dbraw/zinc/49/01/52/748490152.db2.gz AQSUWQFNLMAXBM-ZFWWWQNUSA-N 0 0 362.451 2.558 20 10 FFCDRN C[C@H](CNC(=O)NCCCSc1nccs1)C(=O)OC(C)(C)C ZINC000847336237 748678669 /nfs/dbraw/zinc/67/86/69/748678669.db2.gz OLIBVZWILLNJAU-LLVKDONJSA-N 0 0 359.517 2.902 20 10 FFCDRN COc1cccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1F ZINC000848449678 748928735 /nfs/dbraw/zinc/92/87/35/748928735.db2.gz VISMGRNTQNHLFW-LBPRGKRZSA-N 0 0 352.431 2.940 20 10 FFCDRN COc1cc(Br)cc([C@H](C)N[C@@H](C)c2nncn2C)c1O ZINC000848525513 748949333 /nfs/dbraw/zinc/94/93/33/748949333.db2.gz RYYJGHXJZQJGII-IUCAKERBSA-N 0 0 355.236 2.704 20 10 FFCDRN COc1cc(Br)cc([C@@H](C)N[C@H](C)c2ncn(C)n2)c1O ZINC000848546575 748956645 /nfs/dbraw/zinc/95/66/45/748956645.db2.gz BPEBVJAPKOBHLE-RKDXNWHRSA-N 0 0 355.236 2.704 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1cc(Br)c(F)cc1[O-] ZINC000848564229 748961189 /nfs/dbraw/zinc/96/11/89/748961189.db2.gz JYYANMHMDLCFMI-RKDXNWHRSA-N 0 0 369.238 2.630 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000848930234 749037767 /nfs/dbraw/zinc/03/77/67/749037767.db2.gz OYQBCPWXUBODNO-OAHLLOKOSA-N 0 0 369.303 2.841 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=S)Nc3ccc(OC)nc3)C2)cc1 ZINC000849271080 749081964 /nfs/dbraw/zinc/08/19/64/749081964.db2.gz ZNAUFCRDLFFHRB-CQSZACIVSA-N 0 0 358.467 2.664 20 10 FFCDRN CCc1ccc(S(=O)(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000849416414 749142890 /nfs/dbraw/zinc/14/28/90/749142890.db2.gz QXAICXWSWFNSRH-INIZCTEOSA-N 0 0 360.479 2.815 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3ccc(C)cc3F)C2)cc1 ZINC000849416906 749143300 /nfs/dbraw/zinc/14/33/00/749143300.db2.gz YXXNKVOMTQEKCF-CQSZACIVSA-N 0 0 364.442 2.700 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)c3cc(C)cc(F)c3)C2)cc1 ZINC000849416819 749143367 /nfs/dbraw/zinc/14/33/67/749143367.db2.gz XDLHERRTWIMRIU-OAHLLOKOSA-N 0 0 364.442 2.700 20 10 FFCDRN COC[C@@H](CC[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-])OC ZINC000850485636 749372191 /nfs/dbraw/zinc/37/21/91/749372191.db2.gz MFHNZLGRYBWHFF-VHSXEESVSA-N 0 0 350.228 2.996 20 10 FFCDRN CC[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850510173 749377812 /nfs/dbraw/zinc/37/78/12/749377812.db2.gz VUFUSYLDRFPNRJ-XJKSGUPXSA-N 0 0 364.269 2.908 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1nccn1C ZINC000851992123 749745084 /nfs/dbraw/zinc/74/50/84/749745084.db2.gz ZBLITUSYIQFCSE-CQSZACIVSA-N 0 0 359.499 2.534 20 10 FFCDRN COCCN(CCF)CC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000852479937 749872804 /nfs/dbraw/zinc/87/28/04/749872804.db2.gz LCGOILBUOSCXIZ-UHFFFAOYSA-N 0 0 351.397 2.729 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@H+](CCN2CCOCC2)CC2CC2)c1[O-] ZINC000852634741 749910378 /nfs/dbraw/zinc/91/03/78/749910378.db2.gz BAKCENCFUTXHTJ-UHFFFAOYSA-N 0 0 366.889 2.792 20 10 FFCDRN CS(=O)(=O)CC1(Cc2noc(-c3ccc(-n4cccc4)cc3)n2)CC1 ZINC000854097016 750240293 /nfs/dbraw/zinc/24/02/93/750240293.db2.gz YHJNAGIDUNTOOU-UHFFFAOYSA-N 0 0 357.435 2.895 20 10 FFCDRN Cc1cc(C)c2c(N)c(C(=O)OCc3ccc(C(N)=O)cc3)sc2n1 ZINC000014152321 845026955 /nfs/dbraw/zinc/02/69/55/845026955.db2.gz QNKVZTWOSNLOEK-UHFFFAOYSA-N 0 0 355.419 2.951 20 10 FFCDRN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000045909485 845099918 /nfs/dbraw/zinc/09/99/18/845099918.db2.gz DQPZEWKHTLMSLG-UHFFFAOYSA-N 0 0 372.443 2.778 20 10 FFCDRN CCN(C[C@@H]1CCOC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047036293 845128869 /nfs/dbraw/zinc/12/88/69/845128869.db2.gz KBOBLNDBDYJMSC-KRWDZBQOSA-N 0 0 363.527 2.808 20 10 FFCDRN Cc1csc(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000047335060 845137075 /nfs/dbraw/zinc/13/70/75/845137075.db2.gz LWBNYKLCSYLCHK-UHFFFAOYSA-N 0 0 364.446 2.873 20 10 FFCDRN CNC(=O)COC(=O)c1cc(C)n(-c2cccc(Br)c2)c1C ZINC000053914668 845290065 /nfs/dbraw/zinc/29/00/65/845290065.db2.gz DJTBASVGVULPJD-UHFFFAOYSA-N 0 0 365.227 2.759 20 10 FFCDRN CCC[C@H](CCO)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000073744953 845572909 /nfs/dbraw/zinc/57/29/09/845572909.db2.gz HMAIZRVWPGNZHQ-MRXNPFEDSA-N 0 0 365.543 2.838 20 10 FFCDRN CCc1oc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cc1C(=O)OC ZINC000895607611 970783783 /nfs/dbraw/zinc/78/37/83/970783783.db2.gz QYJVDASQVJPMSR-UHFFFAOYSA-N 0 0 371.481 2.670 20 10 FFCDRN COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(OC)cc(C(C)(C)C)c1O ZINC000895864036 971005601 /nfs/dbraw/zinc/00/56/01/971005601.db2.gz NBCMCBJHCBZBHG-PBHICJAKSA-N 0 0 365.470 2.899 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)NCc1nnc(C(C)C)[nH]1 ZINC000840383259 971202756 /nfs/dbraw/zinc/20/27/56/971202756.db2.gz SWSXDUIFOUSTOE-CQSZACIVSA-N 0 0 358.490 2.733 20 10 FFCDRN COc1ccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)cc1Cl ZINC001174154688 1013083119 /nfs/dbraw/zinc/08/31/19/1013083119.db2.gz KQEYHDCWTMYDDU-UHFFFAOYSA-N 0 0 354.859 2.940 20 10 FFCDRN CCc1ccc(C(=O)NCc2ccc(N3CCN(C(C)=O)CC3)cc2)s1 ZINC000188115465 971488330 /nfs/dbraw/zinc/48/83/30/971488330.db2.gz QJQRSWAEHILUHV-UHFFFAOYSA-N 0 0 371.506 2.909 20 10 FFCDRN CCNC(=O)c1ccc(NC(=O)NCc2cccc(OC)c2O)c(C)c1 ZINC000729557780 971511119 /nfs/dbraw/zinc/51/11/19/971511119.db2.gz CQSBRDHEOSODHG-UHFFFAOYSA-N 0 0 357.410 2.781 20 10 FFCDRN CCC(CC)C(=O)N1CCC(NC(=O)N(C)Cc2ccccc2O)CC1 ZINC000123722420 971744203 /nfs/dbraw/zinc/74/42/03/971744203.db2.gz MJXBAPDOUFQCNX-UHFFFAOYSA-N 0 0 361.486 2.961 20 10 FFCDRN COc1ccc(COCCNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000092963596 972285282 /nfs/dbraw/zinc/28/52/82/972285282.db2.gz AMZGHDMSCPLROT-UHFFFAOYSA-N 0 0 357.454 2.777 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C[C@H](c2ccccc2)N2CCOC2=O)cc1 ZINC000728233329 960312893 /nfs/dbraw/zinc/31/28/93/960312893.db2.gz DZHBTIWSDMZMGS-LJQANCHMSA-N 0 0 367.449 2.952 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cc(F)ccn3)CC2)c(OC)c1 ZINC000872322296 1013211983 /nfs/dbraw/zinc/21/19/83/1013211983.db2.gz LOFDGZVYQYYDTR-UHFFFAOYSA-N 0 0 360.389 2.592 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCO[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000872751627 1013256285 /nfs/dbraw/zinc/25/62/85/1013256285.db2.gz QNQGMSJASYAPML-LYKUJDHUSA-N 0 0 374.315 2.939 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C(C)(C)C1 ZINC000891085605 961904858 /nfs/dbraw/zinc/90/48/58/961904858.db2.gz KSAPPOHGWAKQDH-OAHLLOKOSA-N 0 0 372.513 2.718 20 10 FFCDRN CC(C)=CCN1C(=O)C[C@@]2(CCC[N@H+](Cc3c([O-])cccc3F)C2)C1=O ZINC001276031436 1013297785 /nfs/dbraw/zinc/29/77/85/1013297785.db2.gz LFWZYZSARCAMTC-HXUWFJFHSA-N 0 0 360.429 2.839 20 10 FFCDRN CSCc1nc(CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n[nH]1 ZINC000891093727 961968107 /nfs/dbraw/zinc/96/81/07/961968107.db2.gz JOQVFZBZLYTCET-UHFFFAOYSA-N 0 0 374.514 2.608 20 10 FFCDRN Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)ccc1N(C)C ZINC001174914400 1013339631 /nfs/dbraw/zinc/33/96/31/1013339631.db2.gz AAYWVVKEQDIGDK-DOMZBBRYSA-N 0 0 357.420 2.950 20 10 FFCDRN COC(C)(C)CN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1c([O-])cccc1F ZINC001276038384 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COc1ccc(N2CCN(C(=O)Cc3cccc([N+](=O)[O-])c3C)CC2)cc1 ZINC000178546271 976870877 /nfs/dbraw/zinc/87/08/77/976870877.db2.gz PBMIZQXFXRQDOY-UHFFFAOYSA-N 0 0 369.421 2.803 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CC[C@@]3(CO[C@@H](C)C3)O2)c(C)n1-c1ccccn1 ZINC000899484127 977182481 /nfs/dbraw/zinc/18/24/81/977182481.db2.gz KJCNRFPTVSCLMZ-HZUJVAHNSA-N 0 0 369.465 2.946 20 10 FFCDRN CNC(=O)[C@H]1CCCN(CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000111268109 977224353 /nfs/dbraw/zinc/22/43/53/977224353.db2.gz HYMAFDVFPBJLNG-KRWDZBQOSA-N 0 0 353.466 2.735 20 10 FFCDRN COCC(=O)N1CCc2cc(NCc3ccc(OC)c(OC)c3O)ccc21 ZINC000893706459 977395828 /nfs/dbraw/zinc/39/58/28/977395828.db2.gz FQBSCUBEFQDJQS-UHFFFAOYSA-N 0 0 372.421 2.557 20 10 FFCDRN CCOc1cc(C(=O)NCCc2ccc(N)cc2)c([N+](=O)[O-])cc1OC ZINC000236891524 977488025 /nfs/dbraw/zinc/48/80/25/977488025.db2.gz IHWJWZHUQOBLDW-UHFFFAOYSA-N 0 0 359.382 2.557 20 10 FFCDRN C[C@H](NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1cncc(F)c1 ZINC000894111476 977798587 /nfs/dbraw/zinc/79/85/87/977798587.db2.gz GHHDZXKXVHIXMM-LIRRHRJNSA-N 0 0 373.476 2.950 20 10 FFCDRN O=C(c1cccn(C2CC2)c1=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000866898031 978066797 /nfs/dbraw/zinc/06/67/97/978066797.db2.gz OWSFDAASSDXFHV-QGZVFWFLSA-N 0 0 368.433 2.710 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)OCc2ccccc2)c1 ZINC000728982436 978146820 /nfs/dbraw/zinc/14/68/20/978146820.db2.gz NKFFTSFMDVHWCF-ZDUSSCGKSA-N 0 0 358.394 2.504 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN(C(=O)C(C)(C)C)C2)c1 ZINC000728983359 978146998 /nfs/dbraw/zinc/14/69/98/978146998.db2.gz YQHXUNQMRJVTKE-KGLIPLIRSA-N 0 0 362.470 2.863 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)CNC(=O)c2cc(C)cc(C)c2)c1 ZINC000728983780 978147115 /nfs/dbraw/zinc/14/71/15/978147115.db2.gz GEQDIMUTBWQILW-AWEZNQCLSA-N 0 0 356.422 2.625 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(OC)c(OC)c(OC)c2)c1 ZINC000728985123 978148195 /nfs/dbraw/zinc/14/81/95/978148195.db2.gz WERGZBIITPRNSZ-NSHDSACASA-N 0 0 361.394 2.918 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccnc(-n3ccnc3)c2)c1 ZINC000729050848 978166815 /nfs/dbraw/zinc/16/68/15/978166815.db2.gz XIMSGQGSWBBWTB-CYBMUJFWSA-N 0 0 367.409 2.542 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2cnc3ccccc3c2)c1 ZINC000729064749 978169550 /nfs/dbraw/zinc/16/95/50/978169550.db2.gz WIBWNOIOENJWJJ-LBPRGKRZSA-N 0 0 365.389 2.765 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@@H](C)c2nnc3n2CCCCC3)c1 ZINC000729225453 978209406 /nfs/dbraw/zinc/20/94/06/978209406.db2.gz MSVVUYSRSRHYLO-OLZOCXBDSA-N 0 0 373.457 2.840 20 10 FFCDRN CN(C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1ccc(N)cc1 ZINC000877080693 1014471336 /nfs/dbraw/zinc/47/13/36/1014471336.db2.gz MTNCMWXAZKWCNW-MRXNPFEDSA-N 0 0 369.440 2.852 20 10 FFCDRN Cc1cc(C(=O)NCCN2CCOC[C@H]2C)c(C)n1-c1ccccc1C ZINC000729385881 978271290 /nfs/dbraw/zinc/27/12/90/978271290.db2.gz XTILXNMGRFORCB-QGZVFWFLSA-N 0 0 355.482 2.853 20 10 FFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNCc3cc(C4CC4)no3)cc2)C1 ZINC000877145294 1014489054 /nfs/dbraw/zinc/48/90/54/1014489054.db2.gz GDEFCGAGFKSKHU-INIZCTEOSA-N 0 0 354.454 2.544 20 10 FFCDRN OC1CCN(c2ccc(CNc3cnn(Cc4ccncc4)c3)cc2)CC1 ZINC000877148452 1014489298 /nfs/dbraw/zinc/48/92/98/1014489298.db2.gz LEMKOKBKMFCEKD-UHFFFAOYSA-N 0 0 363.465 2.900 20 10 FFCDRN CNc1cccc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c1 ZINC000877228115 1014518714 /nfs/dbraw/zinc/51/87/14/1014518714.db2.gz UBARSASAYCWLRR-UHFFFAOYSA-N 0 0 355.438 2.708 20 10 FFCDRN O=C1c2ccccc2C(=O)c2cc(Nc3cnn4cccnc34)c(O)cc21 ZINC001205987490 1032096787 /nfs/dbraw/zinc/09/67/87/1032096787.db2.gz SVOHRWUUBMOWDJ-UHFFFAOYSA-N 0 0 356.341 2.954 20 10 FFCDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2c(C)cccc2O)cc1 ZINC000877496919 1014600660 /nfs/dbraw/zinc/60/06/60/1014600660.db2.gz YVNKTGPPSVHYHL-CQSZACIVSA-N 0 0 356.422 2.994 20 10 FFCDRN C[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)c2ccccc2C(=O)N1 ZINC000877537922 1014618184 /nfs/dbraw/zinc/61/81/84/1014618184.db2.gz XLRIMSKFBAEDIW-INIZCTEOSA-N 0 0 365.477 2.786 20 10 FFCDRN C[C@H](NCc1ccc(N2CCC(O)CC2)cc1)C(=O)OCc1ccccc1 ZINC000877617869 1014648678 /nfs/dbraw/zinc/64/86/78/1014648678.db2.gz XVWXUZCVJKDDLQ-KRWDZBQOSA-N 0 0 368.477 2.869 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnc4cccc(C)n43)CC2)cc1 ZINC000905105288 980382701 /nfs/dbraw/zinc/38/27/01/980382701.db2.gz XAUAENLOVJXLRC-UHFFFAOYSA-N 0 0 350.422 2.614 20 10 FFCDRN CCC(=O)N(C)c1ccc(N2C(=O)CN(Cc3ccccc3O)C2=O)cc1 ZINC000905485745 980444874 /nfs/dbraw/zinc/44/48/74/980444874.db2.gz XVOFIVRILIAUGI-UHFFFAOYSA-N 0 0 367.405 2.734 20 10 FFCDRN Cc1cc(C)n([C@@H](C)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1 ZINC000179124095 981184522 /nfs/dbraw/zinc/18/45/22/981184522.db2.gz FZXRZNCRFZDBOG-WMZOPIPTSA-N 0 0 357.454 2.974 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)/C(F)=C(\C)C3CC3)cc2)CC1 ZINC000907639426 981272200 /nfs/dbraw/zinc/27/22/00/981272200.db2.gz HHVUJENHOCHTBZ-RGEXLXHISA-N 0 0 359.445 2.625 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cccc2[nH]c(CO)nc21 ZINC000910557499 981996465 /nfs/dbraw/zinc/99/64/65/981996465.db2.gz CNEPTJAECPVTRF-CQSZACIVSA-N 0 0 366.465 2.791 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CC[C@@H](c2nccs2)C1 ZINC000910605008 982006046 /nfs/dbraw/zinc/00/60/46/982006046.db2.gz SPDFBEPYBQTCHD-OAHLLOKOSA-N 0 0 373.478 2.603 20 10 FFCDRN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000911277768 982186772 /nfs/dbraw/zinc/18/67/72/982186772.db2.gz WYLDVJLHLHOVBW-AYOQOUSVSA-N 0 0 374.481 2.617 20 10 FFCDRN C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000911287273 982205203 /nfs/dbraw/zinc/20/52/03/982205203.db2.gz DGVJWXHEMPBZGO-UZLBHIALSA-N 0 0 365.477 2.722 20 10 FFCDRN O=C([O-])CN(Cc1ccccc1O)C(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000911486919 982253758 /nfs/dbraw/zinc/25/37/58/982253758.db2.gz AHEZGYWAXOSOKU-UHFFFAOYSA-N 0 0 372.421 2.698 20 10 FFCDRN Cc1ccc(CNC(=O)NCCc2ccc(N)cc2)c(N2CCCC2)n1 ZINC000841872622 982286289 /nfs/dbraw/zinc/28/62/89/982286289.db2.gz OHUFVVUSBYBEIA-UHFFFAOYSA-N 0 0 353.470 2.614 20 10 FFCDRN CC[NH+]1CCN(c2cccc(NC(=O)c3cccc(CC(=O)[O-])c3)c2)CC1 ZINC000911553333 982495664 /nfs/dbraw/zinc/49/56/64/982495664.db2.gz VIVQLYOXWCXNQS-UHFFFAOYSA-N 0 0 367.449 2.708 20 10 FFCDRN Cn1nccc1[C@@H]1C[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)CCO1 ZINC000897917254 982553297 /nfs/dbraw/zinc/55/32/97/982553297.db2.gz YLGDIODNKHZIES-ABAIWWIYSA-N 0 0 373.434 2.696 20 10 FFCDRN CC(C)(CNC(=O)C(=O)NCCc1ccc(N)cc1)c1ccc(Cl)cc1 ZINC000842016971 982577913 /nfs/dbraw/zinc/57/79/13/982577913.db2.gz QRYSZMCXXDMQMW-UHFFFAOYSA-N 0 0 373.884 2.675 20 10 FFCDRN C[C@@](O)(C(=O)NCc1ccc(O)cc1O)c1cccc(C(F)(F)F)c1 ZINC001142533845 982622664 /nfs/dbraw/zinc/62/26/64/982622664.db2.gz SVHTZKXVBMASRY-INIZCTEOSA-N 0 0 355.312 2.641 20 10 FFCDRN CCNC(=O)COc1cccc(NC(=O)N[C@H](C)c2ccccc2O)c1 ZINC000878155439 1014888235 /nfs/dbraw/zinc/88/82/35/1014888235.db2.gz GQBDFDDNQWHMPL-CYBMUJFWSA-N 0 0 357.410 2.790 20 10 FFCDRN C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)Sc1ccccc1 ZINC000785423303 983916245 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COC(=O)Cn1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cn1 ZINC000055912545 984394445 /nfs/dbraw/zinc/39/44/45/984394445.db2.gz WJFXGLPVGZEURH-UHFFFAOYSA-N 0 0 352.394 2.716 20 10 FFCDRN O=C(NCc1ccccc1O)[C@@H]1C[C@H]2CCCC[C@H]2N1c1ncccn1 ZINC000764250078 984395443 /nfs/dbraw/zinc/39/54/43/984395443.db2.gz ISNIWYZTPMZICC-OIISXLGYSA-N 0 0 352.438 2.636 20 10 FFCDRN CC(C)C1CCC(CNC(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000785428632 984431739 /nfs/dbraw/zinc/43/17/39/984431739.db2.gz PKICJOICDHQEKL-UHFFFAOYSA-N 0 0 359.514 2.947 20 10 FFCDRN Cc1c[nH]c(=O)n1-c1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000057193374 984483768 /nfs/dbraw/zinc/48/37/68/984483768.db2.gz YWDAROZACWXXBG-UHFFFAOYSA-N 0 0 364.449 2.812 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N(C)Cc3ccc(F)cc3)CC2)cc1 ZINC000057548505 984503710 /nfs/dbraw/zinc/50/37/10/984503710.db2.gz XRTSVWZNZSFAAR-UHFFFAOYSA-N 0 0 371.456 2.615 20 10 FFCDRN CC(=O)Nc1ccc(O)c(C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000057558825 984504315 /nfs/dbraw/zinc/50/43/15/984504315.db2.gz LVPZYOKCPINIGR-UHFFFAOYSA-N 0 0 353.422 2.663 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CNc3ccc(F)cc3C)CC2)cc1 ZINC000057585575 984507025 /nfs/dbraw/zinc/50/70/25/984507025.db2.gz HKTAEBFESPXULK-UHFFFAOYSA-N 0 0 357.429 2.903 20 10 FFCDRN Cc1ccc2c(c1)N(C(=O)C(=O)NCc1ccc(N3CC=CC3)cc1)CC2 ZINC000157446520 984558749 /nfs/dbraw/zinc/55/87/49/984558749.db2.gz GXRCBOBNYDMXKH-UHFFFAOYSA-N 0 0 361.445 2.577 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cnn(-c3ccccc3)c2)cc1F ZINC000058507303 984611163 /nfs/dbraw/zinc/61/11/63/984611163.db2.gz ACGIMSOANIWECZ-UHFFFAOYSA-N 0 0 374.441 2.556 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(CCOC(C)=O)c2)c1 ZINC000764717011 984657259 /nfs/dbraw/zinc/65/72/59/984657259.db2.gz SNTLAZCOIXUFBK-UHFFFAOYSA-N 0 0 358.394 2.828 20 10 FFCDRN C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)[C@@H]2[C@@H]3CCC[C@@H]3CN2C1=O ZINC000761159485 984852248 /nfs/dbraw/zinc/85/22/48/984852248.db2.gz LNGKFWPLZQXPBS-OPNNQBFTSA-N 0 0 369.465 2.647 20 10 FFCDRN 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369.465 2.504 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCN(C2CCOCC2)C1=O)c1cccc(C(F)(F)F)c1[O-] ZINC000788669317 1001846561 /nfs/dbraw/zinc/84/65/61/1001846561.db2.gz YZRQWRXZBMABAL-NHYWBVRUSA-N 0 0 372.387 2.842 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(C(N)=O)c(OC(C)C)c2)c1O ZINC000788777527 1001874325 /nfs/dbraw/zinc/87/43/25/1001874325.db2.gz OFVIMAVQFQHXKR-UHFFFAOYSA-N 0 0 373.409 2.609 20 10 FFCDRN C[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CC1(C)C ZINC000788930477 1001910862 /nfs/dbraw/zinc/91/08/62/1001910862.db2.gz TWPJPSQKCOPTEF-INIZCTEOSA-N 0 0 357.498 2.798 20 10 FFCDRN CC[C@@H]1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000788938175 1001927096 /nfs/dbraw/zinc/92/70/96/1001927096.db2.gz QBEPSTXJPNVIKB-SJLPKXTDSA-N 0 0 357.498 2.988 20 10 FFCDRN CCn1c2ccccc2n(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1=O ZINC000773013064 1001982785 /nfs/dbraw/zinc/98/27/85/1001982785.db2.gz ZLXGFRXFUAFNHH-OAHLLOKOSA-N 0 0 366.465 2.766 20 10 FFCDRN CCOC(=O)c1nnc([C@@H](CC(C)C)[NH2+]Cc2cc(F)ccc2O)[n-]1 ZINC001182653740 1002003144 /nfs/dbraw/zinc/00/31/44/1002003144.db2.gz LYLNJNVSORCIJP-CYBMUJFWSA-N 0 0 350.394 2.703 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@H](COC)[C@H]2CCCO2)cc1 ZINC000789331046 1002046935 /nfs/dbraw/zinc/04/69/35/1002046935.db2.gz IIQGMWOEPCAQGY-RTBURBONSA-N 0 0 363.502 2.868 20 10 FFCDRN C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1)c1ccc(N(C)C)cc1 ZINC000773017266 1002048802 /nfs/dbraw/zinc/04/88/02/1002048802.db2.gz SVVLLBIHLFWAJD-DOTOQJQBSA-N 0 0 351.450 2.983 20 10 FFCDRN CCC[C@@H](C)N1C[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC1=O ZINC000746814283 1002080471 /nfs/dbraw/zinc/08/04/71/1002080471.db2.gz LFZXFLNJDQAZSY-CRAIPNDOSA-N 0 0 357.498 2.722 20 10 FFCDRN CCS(=O)(=O)c1cccc(CC(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773019297 1002120609 /nfs/dbraw/zinc/12/06/09/1002120609.db2.gz KHYVXIPEYOXJID-OAHLLOKOSA-N 0 0 374.506 2.966 20 10 FFCDRN C[C@H](NC(=O)CNC(=O)NCc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773021698 1002143615 /nfs/dbraw/zinc/14/36/15/1002143615.db2.gz BDNSBKFPHWJBDA-AWEZNQCLSA-N 0 0 372.444 2.568 20 10 FFCDRN Cc1cccc2c1ncn(CC(=O)N[C@H](C)c1ccc(N(C)C)cc1)c2=O ZINC000773018060 1002171905 /nfs/dbraw/zinc/17/19/05/1002171905.db2.gz GXKBAWIAPHETBC-OAHLLOKOSA-N 0 0 364.449 2.648 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)CCC(=O)N2C ZINC000789838012 1002206476 /nfs/dbraw/zinc/20/64/76/1002206476.db2.gz KCENULTVWYOWFG-GFCCVEGCSA-N 0 0 369.421 2.760 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CC(=O)N(CC4CC4)C3)cc2)CC1 ZINC000789839659 1002206592 /nfs/dbraw/zinc/20/65/92/1002206592.db2.gz KHKOMTBWAHWFIS-UHFFFAOYSA-N 0 0 370.497 2.644 20 10 FFCDRN COC(=O)C[C@@](C)(NC(=O)c1ccc(C)c(O)c1O)c1cccc(F)c1 ZINC000789890415 1002217310 /nfs/dbraw/zinc/21/73/10/1002217310.db2.gz QORVTLIVOUIDPW-LJQANCHMSA-N 0 0 361.369 2.754 20 10 FFCDRN CCOC(=O)CN1c2ccccc2/C(=C/c2ccc(N(C)CC)nc2)C1=O ZINC000790098839 1002283696 /nfs/dbraw/zinc/28/36/96/1002283696.db2.gz AVJPVUPZOBVSBY-ATVHPVEESA-N 0 0 365.433 2.988 20 10 FFCDRN CC[C@@H](C)N1CC2(CN(Cc3cccc(C(C)(C)C)c3O)C2)OCC1=O ZINC001276247288 1016612305 /nfs/dbraw/zinc/61/23/05/1016612305.db2.gz FTTNTBKTJVBMNS-OAHLLOKOSA-N 0 0 360.498 2.901 20 10 FFCDRN Cn1nc([C@H]2CCCOC2)cc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000790487934 1002391178 /nfs/dbraw/zinc/39/11/78/1002391178.db2.gz VYYUDTUMRGKMQT-INIZCTEOSA-N 0 0 374.460 2.902 20 10 FFCDRN O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1cccc(O)c1O ZINC000790499205 1002394272 /nfs/dbraw/zinc/39/42/72/1002394272.db2.gz HRXOSGFCVJIAHN-UHFFFAOYSA-N 0 0 365.389 2.735 20 10 FFCDRN C[C@@H](C(=O)N(C)C)N1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000772756104 1002399845 /nfs/dbraw/zinc/39/98/45/1002399845.db2.gz XGTQWHPUAVGKMD-AWEZNQCLSA-N 0 0 361.486 2.941 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@](C)(CNC(=O)c2cccc(O)c2O)C1 ZINC000790927423 1002513506 /nfs/dbraw/zinc/51/35/06/1002513506.db2.gz GAIXNGBRFGGZEJ-IBGZPJMESA-N 0 0 364.442 2.865 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccnc(OC(F)F)c2)cc1F ZINC000790938652 1002514315 /nfs/dbraw/zinc/51/43/15/1002514315.db2.gz JZIOSTFKTSERQN-UHFFFAOYSA-N 0 0 368.359 2.888 20 10 FFCDRN COC(=O)c1ccc([C@H](NC(=O)c2cccc(O)c2O)C(F)(F)F)cc1 ZINC000790940446 1002533632 /nfs/dbraw/zinc/53/36/32/1002533632.db2.gz KUCGLEIDRWWLRH-AWEZNQCLSA-N 0 0 369.295 2.918 20 10 FFCDRN CCCC(=O)NC1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000746980871 1002587106 /nfs/dbraw/zinc/58/71/06/1002587106.db2.gz AFNKXMLCBFQQMO-UHFFFAOYSA-N 0 0 372.513 2.659 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H]1CCCOC1 ZINC000791247812 1002623796 /nfs/dbraw/zinc/62/37/96/1002623796.db2.gz IWTKGWZTHLNCKR-OAHLLOKOSA-N 0 0 362.470 2.802 20 10 FFCDRN C[C@@H](C(=O)NCCc1ccccc1)N1CCOc2cc(N(C)C)ccc21 ZINC000774751791 1002650501 /nfs/dbraw/zinc/65/05/01/1002650501.db2.gz HXWYAYHBAAUHRA-INIZCTEOSA-N 0 0 353.466 2.699 20 10 FFCDRN C[C@H]1c2nncn2CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000792186178 1002936893 /nfs/dbraw/zinc/93/68/93/1002936893.db2.gz IIGWSONRZVYMQU-AWEZNQCLSA-N 0 0 356.430 2.753 20 10 FFCDRN CCOC(=O)CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CC1 ZINC000774910094 1003014888 /nfs/dbraw/zinc/01/48/88/1003014888.db2.gz QCIWPSNZUNCNFF-UHFFFAOYSA-N 0 0 366.414 2.864 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2ccc(Cn3cccn3)cc2)ccc1[N+](=O)[O-] ZINC000774941051 1003081884 /nfs/dbraw/zinc/08/18/84/1003081884.db2.gz HNWDAPQPWXNGQI-UHFFFAOYSA-N 0 0 368.393 2.844 20 10 FFCDRN NC(=O)c1ccc(CC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 ZINC000792591554 1003086878 /nfs/dbraw/zinc/08/68/78/1003086878.db2.gz LYOOGFCNVYSYIN-UHFFFAOYSA-N 0 0 351.450 2.635 20 10 FFCDRN O=C(CNc1nc(-c2ccccn2)nc2c1CCC2)c1ccc(O)c(O)c1 ZINC001170316180 1003106382 /nfs/dbraw/zinc/10/63/82/1003106382.db2.gz NQOZZPQPJRDTJO-UHFFFAOYSA-N 0 0 362.389 2.733 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000792877030 1003217646 /nfs/dbraw/zinc/21/76/46/1003217646.db2.gz CGPUXOWETBHABI-UHFFFAOYSA-N 0 0 357.498 2.796 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1ccc2oc(=O)ccc2c1)c1ccc(N(C)C)cc1 ZINC000773089114 1003224352 /nfs/dbraw/zinc/22/43/52/1003224352.db2.gz RMOSYSHMOGMRDP-CYBMUJFWSA-N 0 0 372.446 2.899 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2cccc(F)n2)cc1 ZINC000792955575 1003247104 /nfs/dbraw/zinc/24/71/04/1003247104.db2.gz JGCXAAIUPGPPRP-UHFFFAOYSA-N 0 0 358.417 2.664 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H](C)N2CCc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000774993416 1003253929 /nfs/dbraw/zinc/25/39/29/1003253929.db2.gz ZLBGSBMWFJYUON-CQSZACIVSA-N 0 0 371.437 2.845 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N(CCCO)Cc1ccccn1 ZINC000793026583 1003267870 /nfs/dbraw/zinc/26/78/70/1003267870.db2.gz SATPXUJRALBAKD-UHFFFAOYSA-N 0 0 356.470 2.550 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCc2ccnn2CCF)c1 ZINC001186849877 1003434818 /nfs/dbraw/zinc/43/48/18/1003434818.db2.gz AVEIFOYSXLYETA-UHFFFAOYSA-N 0 0 356.401 2.896 20 10 FFCDRN O=C(NC[C@H]1CCCOC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000793679295 1003460942 /nfs/dbraw/zinc/46/09/42/1003460942.db2.gz PPOYXOASQJRILL-MRXNPFEDSA-N 0 0 374.481 2.596 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H](C)c1ccc(F)cc1 ZINC000793936716 1003528656 /nfs/dbraw/zinc/52/86/56/1003528656.db2.gz GZEOMKULYQBRNA-OAHLLOKOSA-N 0 0 371.456 2.736 20 10 FFCDRN O=S(=O)([N-]c1cccc(O)c1O)c1ccc(F)c(Br)c1 ZINC001187002219 1003529450 /nfs/dbraw/zinc/52/94/50/1003529450.db2.gz QLINKCCXFWMNEY-UHFFFAOYSA-N 0 0 362.176 2.800 20 10 FFCDRN CCn1nc(C)c(CC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000794246053 1003590890 /nfs/dbraw/zinc/59/08/90/1003590890.db2.gz BSJNPNTWNXFEMF-HNNXBMFYSA-N 0 0 370.497 2.776 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000794370905 1003606415 /nfs/dbraw/zinc/60/64/15/1003606415.db2.gz SIHDZQRDQRKNAX-CQSZACIVSA-N 0 0 364.442 2.664 20 10 FFCDRN COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(C)c(F)c3)C2)c(O)c1 ZINC000794371021 1003606924 /nfs/dbraw/zinc/60/69/24/1003606924.db2.gz VUIMGAGKMZDCRO-AWEZNQCLSA-N 0 0 372.396 2.518 20 10 FFCDRN COc1cccc(-c2cc(C(=O)NCc3ccc(OC)cc3O)[nH]n2)c1 ZINC000794378515 1003620764 /nfs/dbraw/zinc/62/07/64/1003620764.db2.gz UQSWMCZFAJCUCA-UHFFFAOYSA-N 0 0 353.378 2.730 20 10 FFCDRN O=S(=O)([N-]c1ccc([O-])c(F)c1F)c1ccc(Br)cn1 ZINC001196155080 1003688223 /nfs/dbraw/zinc/68/82/23/1003688223.db2.gz KRIMQUCFMZJRII-UHFFFAOYSA-N 0 0 365.155 2.629 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)CCc3nc(C(C)C)no3)CC2)cc1 ZINC000102382579 1003723719 /nfs/dbraw/zinc/72/37/19/1003723719.db2.gz TWMGNRBNENBSNM-UHFFFAOYSA-N 0 0 372.469 2.919 20 10 FFCDRN Cc1cnc2c(cnn2CC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC001129819048 1003779705 /nfs/dbraw/zinc/77/97/05/1003779705.db2.gz GGSPQLVONYPCIJ-MRXNPFEDSA-N 0 0 365.481 2.862 20 10 FFCDRN COc1cccc(OCCN2CC[NH+](Cc3cccc(C)c3O)CC2)c1 ZINC000775724670 1003832806 /nfs/dbraw/zinc/83/28/06/1003832806.db2.gz PHPXCWLBWFQXJP-UHFFFAOYSA-N 0 0 356.466 2.906 20 10 FFCDRN COC(=O)c1ccc(N[C@@H](C)c2ccc(N3CCOCC3)cc2)nc1OC ZINC000775457997 1003852132 /nfs/dbraw/zinc/85/21/32/1003852132.db2.gz OHAWXNMJBCKVPD-AWEZNQCLSA-N 0 0 371.437 2.887 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](CO)c3ccccc3)CC2)cc1 ZINC000102577626 1003905760 /nfs/dbraw/zinc/90/57/60/1003905760.db2.gz AIUWHZHLIOCKCP-FQEVSTJZSA-N 0 0 369.465 2.697 20 10 FFCDRN COc1ccc(C(C)C)cc1S(=O)(=O)NCc1cccc(O)c1O ZINC001191713263 1003922914 /nfs/dbraw/zinc/92/29/14/1003922914.db2.gz ALXCLSBCTSCXDX-UHFFFAOYSA-N 0 0 351.424 2.708 20 10 FFCDRN COC(=O)/C=C/c1cccc(S(=O)(=O)Nc2cc(F)c(O)c(F)c2)c1 ZINC001197110821 1004089945 /nfs/dbraw/zinc/08/99/45/1004089945.db2.gz ZGYOJFZTZACWCU-AATRIKPKSA-N 0 0 369.345 2.657 20 10 FFCDRN CC[C@H](NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)c1ccncc1 ZINC000805740480 1004126401 /nfs/dbraw/zinc/12/64/01/1004126401.db2.gz LVVSOKZGOTUUSS-KSSFIOAISA-N 0 0 354.454 2.592 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1ccn(C(C)C)n1 ZINC000806127481 1004243216 /nfs/dbraw/zinc/24/32/16/1004243216.db2.gz ZMMVDALDZQOZJN-UHFFFAOYSA-N 0 0 372.469 2.615 20 10 FFCDRN COC(=O)c1cc(NS(=O)(=O)Cc2ccc(Cl)c(F)c2)ccc1O ZINC001197673382 1004310328 /nfs/dbraw/zinc/31/03/28/1004310328.db2.gz UCYSKFKOXQLERY-UHFFFAOYSA-N 0 0 373.789 2.913 20 10 FFCDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000806423933 1004311789 /nfs/dbraw/zinc/31/17/89/1004311789.db2.gz LIPHKUYYXNWMKH-MRVPVSSYSA-N 0 0 372.347 2.911 20 10 FFCDRN CCOC1CC(N(C)C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1 ZINC000806542361 1004347572 /nfs/dbraw/zinc/34/75/72/1004347572.db2.gz SVOTVRSSVOOGOH-VNCLNFNDSA-N 0 0 361.486 2.793 20 10 FFCDRN COc1cc(C(=O)NCc2ccccc2OC(F)(F)F)cc(O)c1O ZINC001193081021 1004364995 /nfs/dbraw/zinc/36/49/95/1004364995.db2.gz IBHUSUISYTYPKZ-UHFFFAOYSA-N 0 0 357.284 2.935 20 10 FFCDRN O=S(=O)(Cc1ccccn1)NCc1cc(Cl)c2cccnc2c1O ZINC001197846749 1004378533 /nfs/dbraw/zinc/37/85/33/1004378533.db2.gz CRJCXZVHFKXOBV-UHFFFAOYSA-N 0 0 363.826 2.608 20 10 FFCDRN CC(=O)N[C@@H]1CCCN(C(=O)c2csc(-c3ccc(N(C)C)cc3)n2)C1 ZINC001193173310 1004385114 /nfs/dbraw/zinc/38/51/14/1004385114.db2.gz KAYZVDHUTUKSPU-OAHLLOKOSA-N 0 0 372.494 2.617 20 10 FFCDRN CN(C)c1ccc(-c2nc(C(=O)NCCN3CCCCC3=O)cs2)cc1 ZINC001193161291 1004394566 /nfs/dbraw/zinc/39/45/66/1004394566.db2.gz LGQNMOGMENWQDY-UHFFFAOYSA-N 0 0 372.494 2.618 20 10 FFCDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000806846229 1004425580 /nfs/dbraw/zinc/42/55/80/1004425580.db2.gz GYAPPYAFKCDZRX-CJNGLKHVSA-N 0 0 369.387 2.924 20 10 FFCDRN COc1cc2nc[nH]c(=O)c2cc1NC(=O)c1ccc(O)c(O)c1Cl ZINC001193230247 1004429547 /nfs/dbraw/zinc/42/95/47/1004429547.db2.gz SBFWYFLZDIFXEV-UHFFFAOYSA-N 0 0 361.741 2.661 20 10 FFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C3=CCCCCC3)cc2)C1 ZINC000775806385 1004438224 /nfs/dbraw/zinc/43/82/24/1004438224.db2.gz ILSONKVMGMRPQC-GOSISDBHSA-N 0 0 355.482 2.895 20 10 FFCDRN Cc1ccc(C)c(CN(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2C)c1 ZINC000807100002 1004508246 /nfs/dbraw/zinc/50/82/46/1004508246.db2.gz FMXROWYADGVJDQ-UHFFFAOYSA-N 0 0 367.493 2.953 20 10 FFCDRN Cc1ccc(C[C@@H](C)NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000807097846 1004508271 /nfs/dbraw/zinc/50/82/71/1004508271.db2.gz RQQGSJCRWDPCTB-CQSZACIVSA-N 0 0 373.522 2.795 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000807099066 1004508610 /nfs/dbraw/zinc/50/86/10/1004508610.db2.gz JGXOPOCSFMWERU-JFIYKMOQSA-N 0 0 357.498 2.762 20 10 FFCDRN CCc1cnccc1[C@@H](C)NC(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807102901 1004509349 /nfs/dbraw/zinc/50/93/49/1004509349.db2.gz IVKHCRRSEQSTGT-OAHLLOKOSA-N 0 0 368.481 2.512 20 10 FFCDRN C[C@H](NS(=O)(=O)c1ccc2nccnc2c1)c1ccc(N(C)C)cc1 ZINC001198172400 1004521253 /nfs/dbraw/zinc/52/12/53/1004521253.db2.gz JTVFVHPVHHNOJR-ZDUSSCGKSA-N 0 0 356.451 2.735 20 10 FFCDRN Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1ncccc1C(N)=O ZINC001193623953 1004526463 /nfs/dbraw/zinc/52/64/63/1004526463.db2.gz YLXVINITRXSHSI-KRWDZBQOSA-N 0 0 353.422 2.556 20 10 FFCDRN O=C(NCC[C@H]1CCOC1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000807325000 1004552060 /nfs/dbraw/zinc/55/20/60/1004552060.db2.gz LEBYXQMDYRVQFR-INIZCTEOSA-N 0 0 374.481 2.596 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(CC)ccn1 ZINC000807538108 1004619017 /nfs/dbraw/zinc/61/90/17/1004619017.db2.gz MMZBMEGZWYNHRM-UHFFFAOYSA-N 0 0 369.465 2.795 20 10 FFCDRN C[C@]1(C2CC2)NC(=O)N(c2cccc(NC(=O)C3=CC(=O)CS3)c2)C1=O ZINC000807538601 1004621044 /nfs/dbraw/zinc/62/10/44/1004621044.db2.gz GGFHATXILMAPDW-GOSISDBHSA-N 0 0 371.418 2.931 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@@H](OCC)C12CCC2 ZINC000807608036 1004637746 /nfs/dbraw/zinc/63/77/46/1004637746.db2.gz NDSYJTGGSNWNRF-QZTJIDSGSA-N 0 0 374.481 2.595 20 10 FFCDRN COc1ncc(/C=C/C(=O)N(Cc2ncc[nH]2)c2cccc(F)c2)cn1 ZINC000775869593 1004657815 /nfs/dbraw/zinc/65/78/15/1004657815.db2.gz XDATXKJDNMLNFN-AATRIKPKSA-N 0 0 353.357 2.594 20 10 FFCDRN CCN(C(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)[C@H](C)c1cccnc1 ZINC000807677867 1004659552 /nfs/dbraw/zinc/65/95/52/1004659552.db2.gz CMHXYNUWIDXEMF-JKSUJKDBSA-N 0 0 368.481 2.935 20 10 FFCDRN CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)N3CC[C@@H](O)C3)cc2)cc1 ZINC001194188755 1004676418 /nfs/dbraw/zinc/67/64/18/1004676418.db2.gz YTUMRVJFTYLETL-NHKNDPDJSA-N 0 0 374.466 2.923 20 10 FFCDRN O=C(NCCc1cc(O)c(O)cc1O)c1cc(-c2ccccc2)c[nH]c1=O ZINC001194219887 1004682021 /nfs/dbraw/zinc/68/20/21/1004682021.db2.gz UFDWROKFFFCXNT-UHFFFAOYSA-N 0 0 366.373 2.544 20 10 FFCDRN COc1ccc(-c2nnc(SCC(=O)C(C)=O)n2Cc2ccco2)cc1 ZINC000808014679 1004738363 /nfs/dbraw/zinc/73/83/63/1004738363.db2.gz PFEDZRMJWJGEMD-UHFFFAOYSA-N 0 0 371.418 2.845 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000808093811 1004751248 /nfs/dbraw/zinc/75/12/48/1004751248.db2.gz VJAVRZCVXIXTNE-AWEZNQCLSA-N 0 0 367.486 2.779 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NC[C@H]1CCN(C(N)=O)C1 ZINC000808121545 1004754571 /nfs/dbraw/zinc/75/45/71/1004754571.db2.gz AGIIDKVYYMMKOY-MRXNPFEDSA-N 0 0 354.454 2.533 20 10 FFCDRN C[C@H]1c2nnc(C3CCCC3)n2CCN1Cc1cc2c(cc1O)OC[C@H]2O ZINC000808197494 1004772424 /nfs/dbraw/zinc/77/24/24/1004772424.db2.gz HUMDQJVUTFJLMD-YVEFUNNKSA-N 0 0 370.453 2.644 20 10 FFCDRN CC(C)(C)OC(=O)[C@@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)CCO1 ZINC000747466872 1004777532 /nfs/dbraw/zinc/77/75/32/1004777532.db2.gz LNXXHKJLLGCANS-INIZCTEOSA-N 0 0 365.470 2.938 20 10 FFCDRN Cc1cc(C)c(CNC(=O)c2cnc(OCC(F)(F)F)nc2)c(O)c1 ZINC001199527799 1004965829 /nfs/dbraw/zinc/96/58/29/1004965829.db2.gz URFANNAJGDSNLB-UHFFFAOYSA-N 0 0 355.316 2.670 20 10 FFCDRN C[C@H]1C[C@H]1C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000005701878 1005268047 /nfs/dbraw/zinc/26/80/47/1005268047.db2.gz VNWBJRRDLWEXSH-XHDPSFHLSA-N 0 0 363.369 2.600 20 10 FFCDRN C[C@H](NC(=O)N1CCC(C2(C)OCCO2)CC1)c1ccc(N(C)C)cc1 ZINC000776247394 1005312780 /nfs/dbraw/zinc/31/27/80/1005312780.db2.gz UZRXDRAITSXCOF-HNNXBMFYSA-N 0 0 361.486 2.998 20 10 FFCDRN O=C(NCCc1cc(O)c(O)cc1O)Nc1ccc(Br)cc1 ZINC001202339362 1005336247 /nfs/dbraw/zinc/33/62/47/1005336247.db2.gz NSTLLVRUTUWDGB-UHFFFAOYSA-N 0 0 367.199 2.930 20 10 FFCDRN C[C@H](C(=O)Nc1cccc(NC(=O)c2cccc(O)c2O)c1)n1cccn1 ZINC000776329715 1005367246 /nfs/dbraw/zinc/36/72/46/1005367246.db2.gz DQUYHSVIJAFNGV-GFCCVEGCSA-N 0 0 366.377 2.746 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H](C)C2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000776348675 1005390501 /nfs/dbraw/zinc/39/05/01/1005390501.db2.gz CMGCOCLQGOMQCP-GFCCVEGCSA-N 0 0 364.442 2.520 20 10 FFCDRN COc1ccc(N2CC[C@@H](N[C@@H](c3nc[nH]n3)c3ccc(F)cc3)C2)cc1 ZINC000850489362 1005818585 /nfs/dbraw/zinc/81/85/85/1005818585.db2.gz XFEZAQPKQNFGRM-VQIMIIECSA-N 0 0 367.428 2.910 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@@H]2COc3ccccc3C2)cc1F ZINC000109452671 1005831855 /nfs/dbraw/zinc/83/18/55/1005831855.db2.gz QDWTVSAWDLAKKT-OAHLLOKOSA-N 0 0 357.429 2.942 20 10 FFCDRN O=C(NCCOc1ccccc1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851907780 1005922071 /nfs/dbraw/zinc/92/20/71/1005922071.db2.gz KRYWZPHQUPXEHS-UHFFFAOYSA-N 0 0 369.465 2.526 20 10 FFCDRN C[C@H]1COC2(CCCC2)CN1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000852005708 1005932061 /nfs/dbraw/zinc/93/20/61/1005932061.db2.gz ZDMXWBGGHTZPKI-KRWDZBQOSA-N 0 0 373.497 2.766 20 10 FFCDRN Cc1csc([C@H](C)NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000852049604 1005936731 /nfs/dbraw/zinc/93/67/31/1005936731.db2.gz COVKQCJCGBAONC-AWEZNQCLSA-N 0 0 374.510 2.973 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CCCn2c3ccccc3oc2=O)cc1 ZINC000008171336 1005937104 /nfs/dbraw/zinc/93/71/04/1005937104.db2.gz WTCQNRQEBRFRFL-UHFFFAOYSA-N 0 0 353.422 2.757 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC3=C(CCC(=O)N3)C2)cc1F ZINC000852082885 1005939971 /nfs/dbraw/zinc/93/99/71/1005939971.db2.gz XAVKLBWGSCUMNF-UHFFFAOYSA-N 0 0 374.460 2.751 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCCc3sc(C)nc3C)C2)cc1 ZINC000852081719 1005940229 /nfs/dbraw/zinc/94/02/29/1005940229.db2.gz UIBVREYSBPJUDS-HNNXBMFYSA-N 0 0 374.510 2.889 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCc3ccn(C(C)C)n3)C2)cc1 ZINC000852134988 1005944380 /nfs/dbraw/zinc/94/43/80/1005944380.db2.gz KAZSGGPPSKUGGU-INIZCTEOSA-N 0 0 357.458 2.551 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)C2)cc1 ZINC000852144438 1005945353 /nfs/dbraw/zinc/94/53/53/1005945353.db2.gz POZJUFGZUUPQEI-WQANXHIZSA-N 0 0 373.497 2.777 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3cc(F)ccc3OC)C2)cc1 ZINC000852265931 1005958772 /nfs/dbraw/zinc/95/87/72/1005958772.db2.gz GTJZRHDCBACHHP-MRXNPFEDSA-N 0 0 373.428 2.921 20 10 FFCDRN CCC1(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)CCOCC1 ZINC000852283317 1005963213 /nfs/dbraw/zinc/96/32/13/1005963213.db2.gz GFUZWEPXZAEWEG-MRXNPFEDSA-N 0 0 361.486 2.780 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@H](Cn3ccnn3)C2)c(C)n1-c1ccccc1 ZINC000852317775 1005974796 /nfs/dbraw/zinc/97/47/96/1005974796.db2.gz SUMMZNZFORBPSX-SFHVURJKSA-N 0 0 363.465 2.890 20 10 FFCDRN CS(=O)(=O)c1ccc(C(F)(F)F)cc1C(=O)NCc1ccccc1O ZINC001187263720 1005989654 /nfs/dbraw/zinc/98/96/54/1005989654.db2.gz GEKBOQIWKKRLLS-UHFFFAOYSA-N 0 0 373.352 2.745 20 10 FFCDRN CCC(C)(C)OCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000852379587 1005998251 /nfs/dbraw/zinc/99/82/51/1005998251.db2.gz UPGGBEOINYWFTQ-UHFFFAOYSA-N 0 0 363.502 2.652 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC2=C(CCC(=O)N2)C1 ZINC000852383611 1005999674 /nfs/dbraw/zinc/99/96/74/1005999674.db2.gz FVXKOAZWBMSMKQ-HNNXBMFYSA-N 0 0 370.497 2.571 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCc2nccnc2C1 ZINC000852384970 1006000905 /nfs/dbraw/zinc/00/09/05/1006000905.db2.gz JMHOIIKODBRPSU-HNNXBMFYSA-N 0 0 353.470 2.550 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)/C=C/c2ccccc2)cc1 ZINC000008330045 1006019037 /nfs/dbraw/zinc/01/90/37/1006019037.db2.gz ZIDJDZTVGVJQFR-SDNWHVSQSA-N 0 0 352.434 2.968 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC4(CCOCC4)CC3)C2)cc1 ZINC000852452500 1006033096 /nfs/dbraw/zinc/03/30/96/1006033096.db2.gz ZAIOZDREYHRAKM-KRWDZBQOSA-N 0 0 373.497 2.876 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]3[C@H]3CCCO3)C2)cc1 ZINC000852451611 1006033189 /nfs/dbraw/zinc/03/31/89/1006033189.db2.gz OJJBFDZGMXPVMI-KFKAGJAMSA-N 0 0 359.470 2.627 20 10 FFCDRN CC[C@@H](NC(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1)C1CCOCC1 ZINC000852454967 1006036268 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O=C(NCc1ccc(N2CCSCC2)cc1)N1CCCc2n[nH]cc2C1 ZINC000852969330 1006249752 /nfs/dbraw/zinc/24/97/52/1006249752.db2.gz SMDXXEKMVOMKFA-UHFFFAOYSA-N 0 0 371.510 2.621 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)OC[C@@H]2CCC(=O)NC2)CCCC1 ZINC000853151511 1006313973 /nfs/dbraw/zinc/31/39/73/1006313973.db2.gz PNRPDXNWCPNYTM-CQSZACIVSA-N 0 0 370.449 2.598 20 10 FFCDRN NS(=O)(=O)c1ccc2onc(NCc3ccc(N4CCCC4)cc3)c2c1 ZINC000853160453 1006318162 /nfs/dbraw/zinc/31/81/62/1006318162.db2.gz WSXJYXUQWRFXNJ-UHFFFAOYSA-N 0 0 372.450 2.688 20 10 FFCDRN CCCOc1ccnc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)n1 ZINC000882240106 1006329201 /nfs/dbraw/zinc/32/92/01/1006329201.db2.gz ULTHTAYHJNCAQQ-UHFFFAOYSA-N 0 0 369.469 2.546 20 10 FFCDRN CCOc1cc(NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c(F)cn1 ZINC000853218751 1006338414 /nfs/dbraw/zinc/33/84/14/1006338414.db2.gz PEQMWSDMKRTFRL-OAHLLOKOSA-N 0 0 372.444 2.933 20 10 FFCDRN CC(C)(C)N1C[C@H](CNC(=O)NCc2ccc(N3CCCC3)cc2)CC1=O ZINC000853412331 1006387032 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Cc1cc(C(=O)Nc2cccc(Cc3nn[nH]n3)c2)c(C)n1-c1ccccn1 ZINC001160948146 1027937384 /nfs/dbraw/zinc/93/73/84/1027937384.db2.gz HYDWSSCTSSQNPC-UHFFFAOYSA-N 0 0 373.420 2.845 20 10 FFCDRN O=C(c1cn2c(n1)CC[C@H](C(F)(F)F)C2)N1CCc2cccc(O)c2C1 ZINC001153955424 1028086459 /nfs/dbraw/zinc/08/64/59/1028086459.db2.gz UJIAMIJCRHUTHE-LBPRGKRZSA-N 0 0 365.355 2.912 20 10 FFCDRN Nc1ccc(CC(=O)N2CCC[C@@H](N3Cc4c(cccc4F)C3=O)C2)cc1 ZINC001161316355 1028130798 /nfs/dbraw/zinc/13/07/98/1028130798.db2.gz IGDWROQWLWARJM-MRXNPFEDSA-N 0 0 367.424 2.597 20 10 FFCDRN Cc1cc(C(=O)CN2CCN(CCO)[C@@H](C)C2)c(C)n1-c1ccc(C)cc1 ZINC000249586697 1028202359 /nfs/dbraw/zinc/20/23/59/1028202359.db2.gz UCPSHSROLFUGQQ-SFHVURJKSA-N 0 0 369.509 2.584 20 10 FFCDRN C[C@H](NC(=O)[C@H]1Cc2cc(F)ccc2NC1=O)c1ccc(N(C)C)cc1 ZINC001154668398 1028399178 /nfs/dbraw/zinc/39/91/78/1028399178.db2.gz GGJLCQIRZIIEKR-YVEFUNNKSA-N 0 0 355.413 2.880 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1cc(C(N)=O)nc(Cl)n1 ZINC001162026622 1028402796 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ZINC001465466555 1063104787 /nfs/dbraw/zinc/10/47/87/1063104787.db2.gz MESINGVYORARPD-UHFFFAOYSA-N 0 0 368.422 2.638 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3N)CC2)cc1F ZINC001465932004 1063270282 /nfs/dbraw/zinc/27/02/82/1063270282.db2.gz UZYPMWCCKADQBD-UHFFFAOYSA-N 0 0 365.355 2.657 20 10 FFCDRN Nc1cc([N+](=O)[O-])ccc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001466290196 1063384052 /nfs/dbraw/zinc/38/40/52/1063384052.db2.gz SVHMWFMGJZXIJC-HNNXBMFYSA-N 0 0 371.393 2.704 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(-c2ccn(C)n2)on1 ZINC001525762773 1063408770 /nfs/dbraw/zinc/40/87/70/1063408770.db2.gz UHMKHRIZSUYRLH-AWEZNQCLSA-N 0 0 367.453 2.811 20 10 FFCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1nncn1CC ZINC001495139527 1063448610 /nfs/dbraw/zinc/44/86/10/1063448610.db2.gz ZHNZKWQLUHYPEQ-CQSZACIVSA-N 0 0 369.473 2.793 20 10 FFCDRN CN(c1ccc(CNC(=O)[C@@]2(C)CCN(C)C2=O)cc1)C1CCCCC1 ZINC001442446973 1063534028 /nfs/dbraw/zinc/53/40/28/1063534028.db2.gz IONSKVQHNZHPFH-OAQYLSRUSA-N 0 0 357.498 2.940 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@@]2(C)CO)CCCC1 ZINC001466747894 1063542499 /nfs/dbraw/zinc/54/24/99/1063542499.db2.gz HJLHVXSECXNXMV-NRFANRHFSA-N 0 0 356.466 2.902 20 10 FFCDRN CNc1nc(C)ccc1C(=O)NCc1cccc(Br)c1O ZINC001467763664 1063845340 /nfs/dbraw/zinc/84/53/40/1063845340.db2.gz KVTBNAWANPAOBQ-UHFFFAOYSA-N 0 0 350.216 2.830 20 10 FFCDRN C[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C(=O)O1 ZINC001468340495 1063969523 /nfs/dbraw/zinc/96/95/23/1063969523.db2.gz ZEDSGTPRJPYGOY-KDOFPFPSSA-N 0 0 359.470 2.959 20 10 FFCDRN CCN(C(=O)CNC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccccc1 ZINC001468354100 1063972605 /nfs/dbraw/zinc/97/26/05/1063972605.db2.gz HRIWVVVANSHDEA-UHFFFAOYSA-N 0 0 372.444 2.744 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2nnc3nc[nH]n32)c1 ZINC001468617007 1064012555 /nfs/dbraw/zinc/01/25/55/1064012555.db2.gz JDNXNQYJHDQKRV-UHFFFAOYSA-N 0 0 355.789 2.766 20 10 FFCDRN O=C(Nc1ccc(C2(O)COC2)cc1)c1cc2cc(O)c(O)cc2s1 ZINC001468703111 1064025574 /nfs/dbraw/zinc/02/55/74/1064025574.db2.gz VAKBGACOBSEENN-UHFFFAOYSA-N 0 0 357.387 2.783 20 10 FFCDRN Cc1cc(CNC(=O)NCCN2CCSCC2)c(C)n1-c1ccccc1 ZINC001468719906 1064027368 /nfs/dbraw/zinc/02/73/68/1064027368.db2.gz UNCCIMIREYMXCK-UHFFFAOYSA-N 0 0 372.538 2.942 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc(N(C)C)c(C=O)c3)C2)cc1 ZINC001470019785 1064245102 /nfs/dbraw/zinc/24/51/02/1064245102.db2.gz KKKBKGFIKALVSU-QGZVFWFLSA-N 0 0 367.449 2.582 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2ccc3c(c2[N+](=O)[O-])OCCCO3)c1 ZINC001470257096 1064289668 /nfs/dbraw/zinc/28/96/68/1064289668.db2.gz DKTNZGZHSYRCCB-UHFFFAOYSA-N 0 0 358.350 2.700 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CCC[C@@H]4C[C@@H]43)CC2)c(OC)c1 ZINC001470472065 1064344268 /nfs/dbraw/zinc/34/42/68/1064344268.db2.gz NMPIBSIEYOEMAW-PVAVHDDUSA-N 0 0 359.470 2.724 20 10 FFCDRN CCOc1ccccc1-c1cc(C(=O)NCc2cccc(O)c2O)[nH]n1 ZINC001471643116 1064742919 /nfs/dbraw/zinc/74/29/19/1064742919.db2.gz DRESIVFITZCFTF-UHFFFAOYSA-N 0 0 353.378 2.817 20 10 FFCDRN Cn1nc(CNC(=O)c2ccc(N=NC(N)=O)cc2)cc1C(F)(F)F ZINC001472297956 1065005397 /nfs/dbraw/zinc/00/53/97/1065005397.db2.gz AZSBMTUKDSXCOI-UHFFFAOYSA-N 0 0 354.292 2.531 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1cn(Cc2cccc(F)c2)nn1 ZINC001472317200 1065012126 /nfs/dbraw/zinc/01/21/26/1065012126.db2.gz ZJOWGHRXRCFAKE-UHFFFAOYSA-N 0 0 360.776 2.755 20 10 FFCDRN COc1ccc(-c2cc(CNC(=O)c3c(F)ccc(O)c3O)on2)cc1 ZINC001472597285 1065107312 /nfs/dbraw/zinc/10/73/12/1065107312.db2.gz NLOSMKTZKXJGFG-UHFFFAOYSA-N 0 0 358.325 2.831 20 10 FFCDRN CN(C)c1ccc(CN(c2nc(Cl)nc3[nH]c(=O)[nH]c32)C2CC2)cc1 ZINC001472663655 1065124317 /nfs/dbraw/zinc/12/43/17/1065124317.db2.gz FHCNVKPZYBNPEO-UHFFFAOYSA-N 0 0 358.833 2.947 20 10 FFCDRN Cc1cc(-c2nnn(Cc3ccc(N4CCOCC4)cc3)n2)ccc1F ZINC001472984801 1065179966 /nfs/dbraw/zinc/17/99/66/1065179966.db2.gz RPMQYVHYHDKCIA-UHFFFAOYSA-N 0 0 353.401 2.673 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(CC(C)C)C(=O)[C@H]2C)c1O ZINC001473409359 1065258337 /nfs/dbraw/zinc/25/83/37/1065258337.db2.gz DUWWVOFWPOFDOU-GFCCVEGCSA-N 0 0 352.862 2.937 20 10 FFCDRN COC(=O)c1coc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])c1 ZINC001474652334 1065570038 /nfs/dbraw/zinc/57/00/38/1065570038.db2.gz KSLQXUGOIFAWJW-UHFFFAOYSA-N 0 0 358.163 2.963 20 10 FFCDRN CC1(C)C[C@@H](O)CCN(C(=O)c2csc(Cc3ccc(N)cc3)n2)C1 ZINC001576393602 1078223267 /nfs/dbraw/zinc/22/32/67/1078223267.db2.gz JIRSFLBGEMBBAB-HNNXBMFYSA-N 0 0 359.495 2.939 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)C[C@H]2CC[C@H](C3CC3)O2)cc1 ZINC001474852500 1065626361 /nfs/dbraw/zinc/62/63/61/1065626361.db2.gz QGBYXFKLXCYAMS-RTBURBONSA-N 0 0 366.527 2.910 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CSCN3)cc2Cl)C1 ZINC001576711214 1078264106 /nfs/dbraw/zinc/26/41/06/1078264106.db2.gz PHTXAWDHLPJYCB-WFASDCNBSA-N 0 0 353.919 2.855 20 10 FFCDRN Nc1ccc(CCNC(=O)c2ccc(S(=O)(=O)C3CCC3)cc2)cc1 ZINC001580443581 1078805706 /nfs/dbraw/zinc/80/57/06/1078805706.db2.gz QYYZDLPBDIVQTQ-UHFFFAOYSA-N 0 0 358.463 2.568 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CCC[C@H]3c3ncon3)cs2)cc1 ZINC001580446903 1078806910 /nfs/dbraw/zinc/80/69/10/1078806910.db2.gz KFAQYXINFSMQRS-AWEZNQCLSA-N 0 0 355.423 2.676 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cc4cc(F)ccc4[nH]c3=O)ccc21 ZINC001583628392 1079242661 /nfs/dbraw/zinc/24/26/61/1079242661.db2.gz VVMHDQKNFIEYJL-UHFFFAOYSA-N 0 0 365.408 2.980 20 10 FFCDRN CN1CCCc2cc(CNC(=O)C[C@H]3C(=O)Nc4ccc(F)cc43)ccc21 ZINC001583627733 1079243069 /nfs/dbraw/zinc/24/30/69/1079243069.db2.gz FNJSKSXNDTWDIH-QGZVFWFLSA-N 0 0 367.424 2.950 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(S(=O)(=O)C2CC2)cc1 ZINC001583820775 1079269803 /nfs/dbraw/zinc/26/98/03/1079269803.db2.gz LKNUCRJXIYRLAY-UHFFFAOYSA-N 0 0 365.838 2.912 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1cccc(C(=O)N2CCCC2)n1 ZINC001583821070 1079270070 /nfs/dbraw/zinc/27/00/70/1079270070.db2.gz SVRZYSPZPILJOW-UHFFFAOYSA-N 0 0 359.813 2.607 20 10 FFCDRN Cc1cccc(C[C@@H](CO)NC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001556207920 1075716460 /nfs/dbraw/zinc/71/64/60/1075716460.db2.gz RHWDVPGOOFDBCT-AWEZNQCLSA-N 0 0 357.431 2.954 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H](Cc1ccccc1)c1ncon1 ZINC001557271936 1075831490 /nfs/dbraw/zinc/83/14/90/1075831490.db2.gz VOMLCCVQDBQIQN-HEWZJLJBSA-N 0 0 351.362 2.594 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C2(c3ccccc3)CC(=O)C2)cc1 ZINC001557355434 1075841657 /nfs/dbraw/zinc/84/16/57/1075841657.db2.gz GESLTJBLVMMYBS-UHFFFAOYSA-N 0 0 366.461 2.891 20 10 FFCDRN COc1ccccc1-c1nnc(CC(=O)NCc2cc(Cl)ccc2O)o1 ZINC001557387126 1075844774 /nfs/dbraw/zinc/84/47/74/1075844774.db2.gz PMXBENDVMBUKJK-UHFFFAOYSA-N 0 0 373.796 2.963 20 10 FFCDRN CC(C)n1cc(Br)c(C(=O)NCc2cc(O)ccc2O)n1 ZINC001558175460 1075956589 /nfs/dbraw/zinc/95/65/89/1075956589.db2.gz RBONMIMCBVNIAX-UHFFFAOYSA-N 0 0 354.204 2.568 20 10 FFCDRN COc1cc(Br)cc(C(=O)NCc2c(O)cccc2O)c1 ZINC001558536135 1076027681 /nfs/dbraw/zinc/02/76/81/1076027681.db2.gz UASRBFURQMNVDP-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(C(F)F)cc2)c1 ZINC001558614466 1076045405 /nfs/dbraw/zinc/04/54/05/1076045405.db2.gz JKVLWSLCWSBMMX-UHFFFAOYSA-N 0 0 356.350 2.954 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1cc(=O)c(O)co1 ZINC001558678343 1076053237 /nfs/dbraw/zinc/05/32/37/1076053237.db2.gz BFHFNUYAWATQEF-UHFFFAOYSA-N 0 0 352.390 2.991 20 10 FFCDRN CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC001558913014 1076101084 /nfs/dbraw/zinc/10/10/84/1076101084.db2.gz RAEGHPFHHIVIJV-NSHDSACASA-N 0 0 360.385 2.695 20 10 FFCDRN CCCNC(=O)CN(CCC)c1ccc(/C=C/C(=O)OC)cc1[N+](=O)[O-] ZINC001559129118 1076128002 /nfs/dbraw/zinc/12/80/02/1076128002.db2.gz RIZYZHXVNMYMGV-VQHVLOKHSA-N 0 0 363.414 2.524 20 10 FFCDRN Oc1ccc(Cl)cc1CNc1ccc2nnc(Br)n2n1 ZINC001559231324 1076137296 /nfs/dbraw/zinc/13/72/96/1076137296.db2.gz OUYRNMLSUFJMSW-UHFFFAOYSA-N 0 0 354.595 2.858 20 10 FFCDRN Cc1cc(C(=O)Cn2cccc([N+](=O)[O-])c2=O)c(C)n1-c1ccc(F)cn1 ZINC001559369110 1076153407 /nfs/dbraw/zinc/15/34/07/1076153407.db2.gz VLCAJERUMRDVCC-UHFFFAOYSA-N 0 0 370.340 2.581 20 10 FFCDRN COC(=O)c1cc(OCC(=O)N(C)C2CCC(C)CC2)ccc1N(C)C ZINC001559456918 1076162424 /nfs/dbraw/zinc/16/24/24/1076162424.db2.gz SFLPOLRUMKQONE-UHFFFAOYSA-N 0 0 362.470 2.955 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](O)[C@H](Oc3ccccc3)C2)c1O ZINC001560062456 1076219935 /nfs/dbraw/zinc/21/99/35/1076219935.db2.gz MTAPUIPXNLFHGO-QZTJIDSGSA-N 0 0 361.825 2.872 20 10 FFCDRN CCOc1cccnc1N1CCN(Cc2cc(F)cc(C(C)=O)c2O)CC1 ZINC001560144624 1076234908 /nfs/dbraw/zinc/23/49/08/1076234908.db2.gz IEWYWHIGRLSGJP-UHFFFAOYSA-N 0 0 373.428 2.850 20 10 FFCDRN Cc1cccc(CN2CCO[C@@H](C[NH2+]Cc3cc(F)cc(F)c3[O-])C2)c1 ZINC001560561506 1076280273 /nfs/dbraw/zinc/28/02/73/1076280273.db2.gz QLQZZFSTLMWWAN-SFHVURJKSA-N 0 0 362.420 2.969 20 10 FFCDRN CN(C)C(=O)N1CCN(Cc2cc(F)c(N(C)C)cc2F)C(C)(C)C1 ZINC001560734487 1076294994 /nfs/dbraw/zinc/29/49/94/1076294994.db2.gz MVGKAGUKMRKTPR-UHFFFAOYSA-N 0 0 354.445 2.609 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2occc2Br)cc1 ZINC001561085782 1076330388 /nfs/dbraw/zinc/33/03/88/1076330388.db2.gz JBZLALXOQZQWMU-UHFFFAOYSA-N 0 0 359.245 2.587 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C1=Cc2ccccc2O[C@@H]1C(F)F ZINC001566370271 1076952543 /nfs/dbraw/zinc/95/25/43/1076952543.db2.gz UGRAAAAVUYEGFD-KRWDZBQOSA-N 0 0 361.344 2.866 20 10 FFCDRN Cc1nc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccc(Cl)cc2)no1 ZINC001567000724 1076993932 /nfs/dbraw/zinc/99/39/32/1076993932.db2.gz VSOILZIOVIRSGS-KRWDZBQOSA-N 0 0 373.796 2.891 20 10 FFCDRN C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001569582989 1077153476 /nfs/dbraw/zinc/15/34/76/1077153476.db2.gz AOKCVRNHIMYWKH-STQMWFEESA-N 0 0 373.457 2.957 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](C)c2nccc(N)n2)c1 ZINC001569596603 1077154724 /nfs/dbraw/zinc/15/47/24/1077154724.db2.gz FUJYETWXRCINDZ-CYBMUJFWSA-N 0 0 363.421 2.770 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)c1cccn2cc(C(F)(F)F)nc12 ZINC001570463043 1077207717 /nfs/dbraw/zinc/20/77/17/1077207717.db2.gz FGRAIIXQKBPVOR-UHFFFAOYSA-N 0 0 351.284 2.694 20 10 FFCDRN O=C(CCNC(=O)c1ccc(F)cc1)NCc1ccc2cccnc2c1O ZINC001570531675 1077213467 /nfs/dbraw/zinc/21/34/67/1077213467.db2.gz LLHZPFQKVQIRPH-UHFFFAOYSA-N 0 0 367.380 2.516 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc2c(c1)NC(=O)CS2 ZINC001570532145 1077213944 /nfs/dbraw/zinc/21/39/44/1077213944.db2.gz ZTKBZLRIXDHNKR-UHFFFAOYSA-N 0 0 365.414 2.915 20 10 FFCDRN COC(=O)c1cc(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)ccc1C ZINC001587112270 1079739444 /nfs/dbraw/zinc/73/94/44/1079739444.db2.gz CHVINJLWRXHRMX-INIZCTEOSA-N 0 0 368.433 2.799 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N[C@@H]1CC(=O)N(C2CC2)C1 ZINC001587752998 1079857801 /nfs/dbraw/zinc/85/78/01/1079857801.db2.gz SAUSXVNHJJWTTN-MRXNPFEDSA-N 0 0 351.450 2.896 20 10 FFCDRN C[NH+]1CCN(c2ccc(CNC(=O)c3cc(Cl)ccc3O)cc2)CC1 ZINC001589180227 1080399903 /nfs/dbraw/zinc/39/99/03/1080399903.db2.gz VPLWDAISUWJNFB-UHFFFAOYSA-N 0 0 359.857 2.727 20 10 FFCDRN CNC(=O)N(C)c1ccc(NC(=O)c2ccc(N=NC(N)=O)cc2)cc1 ZINC001589437877 1080532260 /nfs/dbraw/zinc/53/22/60/1080532260.db2.gz QFAOTBPSXYBBQM-UHFFFAOYSA-N 0 0 354.370 2.877 20 10 FFCDRN C[C@@H](C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1[O-])c1ccccc1[N+](=O)[O-] ZINC001589870179 1080819024 /nfs/dbraw/zinc/81/90/24/1080819024.db2.gz PCQQHVAZKSPARW-NWDGAFQWSA-N 0 0 368.397 2.935 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589964347 1080908110 /nfs/dbraw/zinc/90/81/10/1080908110.db2.gz QTXLTIPUJVOJPF-STQMWFEESA-N 0 0 351.410 2.789 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(C(F)(F)F)n1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589969769 1080911967 /nfs/dbraw/zinc/91/19/67/1080911967.db2.gz MXQZGGBGKNEDIV-VIFPVBQESA-N 0 0 364.331 2.837 20 10 FFCDRN CCCS(=O)(=O)Nc1cccc(NC(=O)NCc2ccccc2O)c1 ZINC000743179527 735282025 /nfs/dbraw/zinc/28/20/25/735282025.db2.gz XBWKDUXERBBQCO-UHFFFAOYSA-N 0 0 363.439 2.866 20 10 FFCDRN C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(N2CCOCC2)cc1 ZINC000109183080 132244360 /nfs/dbraw/zinc/24/43/60/132244360.db2.gz FYGGGHBBOXIQDG-AWEZNQCLSA-N 0 0 354.406 2.743 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCOC1 ZINC000368933416 512143221 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CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nnc3n2CCC3)cc1F ZINC000066927012 506697243 /nfs/dbraw/zinc/69/72/43/506697243.db2.gz KMWNUYXVERYJGZ-CYBMUJFWSA-N 0 0 374.464 2.770 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc2c1OCCO2 ZINC000067140728 506769109 /nfs/dbraw/zinc/76/91/09/506769109.db2.gz AVCXARPWSBQHIC-UHFFFAOYSA-N 0 0 368.433 2.567 20 10 FFCDRN COc1ccc(N2CCCN(c3ncc(Br)cn3)CC2)cc1 ZINC000067368979 506847655 /nfs/dbraw/zinc/84/76/55/506847655.db2.gz YCWDPKQAVCLVFP-UHFFFAOYSA-N 0 0 363.259 2.964 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000055877657 506873885 /nfs/dbraw/zinc/87/38/85/506873885.db2.gz WUUXGOPNSWAJOM-UHFFFAOYSA-N 0 0 369.421 2.885 20 10 FFCDRN CCCC(=O)N1CCC[C@H]1C(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000055878685 506875512 /nfs/dbraw/zinc/87/55/12/506875512.db2.gz RYZKHISERBTVGX-IBGZPJMESA-N 0 0 373.497 2.525 20 10 FFCDRN Cc1nccn1-c1ccc(CNC(=O)N(C)Cc2ccccc2O)cn1 ZINC000057126503 507179647 /nfs/dbraw/zinc/17/96/47/507179647.db2.gz LOBPWZRZIXFACY-UHFFFAOYSA-N 0 0 351.410 2.623 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000047293791 507304122 /nfs/dbraw/zinc/30/41/22/507304122.db2.gz LAYCWRDPUDDRSZ-UHFFFAOYSA-N 0 0 373.384 2.625 20 10 FFCDRN CC(=O)N1CCc2cc(C(=O)NCc3ccc(N(C)C)c(F)c3)ccc21 ZINC000058731478 507458190 /nfs/dbraw/zinc/45/81/90/507458190.db2.gz PZBMYKXNQSWSLV-UHFFFAOYSA-N 0 0 355.413 2.731 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000027380164 507653577 /nfs/dbraw/zinc/65/35/77/507653577.db2.gz UDVZLANGLLPBIE-UHFFFAOYSA-N 0 0 360.479 2.818 20 10 FFCDRN CSCc1nnc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000071843832 507720860 /nfs/dbraw/zinc/72/08/60/507720860.db2.gz GPSDLWDNSGNSPZ-UHFFFAOYSA-N 0 0 366.512 2.749 20 10 FFCDRN Cc1cn2nc(NCc3ccc(N4CCC(CO)CC4)cc3)sc2n1 ZINC000052446647 507809405 /nfs/dbraw/zinc/80/94/05/507809405.db2.gz FBWACETWUDXCNC-UHFFFAOYSA-N 0 0 357.483 2.920 20 10 FFCDRN Cc1cn2nc(NCc3ccc(N4CCC(O)CC4)c(F)c3)sc2n1 ZINC000052457656 507809722 /nfs/dbraw/zinc/80/97/22/507809722.db2.gz GAYOFYVBGIOCGV-UHFFFAOYSA-N 0 0 361.446 2.812 20 10 FFCDRN Cc1cc(C(=O)N2CCC3(CCN(C)C3=O)CC2)c(C)n1-c1ccccn1 ZINC000369346674 512362767 /nfs/dbraw/zinc/36/27/67/512362767.db2.gz UYBYUTSLHIVVHW-UHFFFAOYSA-N 0 0 366.465 2.574 20 10 FFCDRN CN1CCCc2cc(CNC(=O)CC3CN(C(=O)OC(C)(C)C)C3)ccc21 ZINC000073132600 507897192 /nfs/dbraw/zinc/89/71/92/507897192.db2.gz QKFWQSWUOMLLIM-UHFFFAOYSA-N 0 0 373.497 2.942 20 10 FFCDRN COc1cc(C(=O)N(C)C)ccc1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000078789398 507907372 /nfs/dbraw/zinc/90/73/72/507907372.db2.gz MPEDGPJZFUIDKV-UHFFFAOYSA-N 0 0 370.453 2.785 20 10 FFCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCC1 ZINC000073521669 507927884 /nfs/dbraw/zinc/92/78/84/507927884.db2.gz SBZPBVAKTIBPOD-BENRWUELSA-N 0 0 352.506 2.962 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cc(OC)ccc3O)CC2)cc1 ZINC000079181494 507940996 /nfs/dbraw/zinc/94/09/96/507940996.db2.gz MGETWMSNHRLHHH-UHFFFAOYSA-N 0 0 356.422 2.762 20 10 FFCDRN COC(=O)CCc1nc(CSc2ncc(-c3ccccc3)n2C)no1 ZINC000110139135 508010049 /nfs/dbraw/zinc/01/00/49/508010049.db2.gz ZCJMAZIRSRRXOA-UHFFFAOYSA-N 0 0 358.423 2.868 20 10 FFCDRN C[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@H]1c1ccccc1 ZINC000091984399 508029601 /nfs/dbraw/zinc/02/96/01/508029601.db2.gz FQLHLUFLFDFRFT-SJKOYZFVSA-N 0 0 360.435 2.597 20 10 FFCDRN C[C@H](CS(C)(=O)=O)N(Cc1cc(Br)ccc1O)C1CC1 ZINC000093391659 508143685 /nfs/dbraw/zinc/14/36/85/508143685.db2.gz VBOIPVYTJUXDCF-SNVBAGLBSA-N 0 0 362.289 2.552 20 10 FFCDRN CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000093613526 508150067 /nfs/dbraw/zinc/15/00/67/508150067.db2.gz JKLCTEXIXVYFGY-GJZGRUSLSA-N 0 0 370.833 2.706 20 10 FFCDRN CCCS(=O)(=O)Nc1ccc(C(=O)N(C)Cc2ccccc2O)cc1 ZINC000076427333 508205330 /nfs/dbraw/zinc/20/53/30/508205330.db2.gz BLKSNBNLLQAGGA-UHFFFAOYSA-N 0 0 362.451 2.816 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCc3ncccc3C)CC2)cc1F ZINC000084899999 508296450 /nfs/dbraw/zinc/29/64/50/508296450.db2.gz KVPMAGANCIWMIE-UHFFFAOYSA-N 0 0 358.417 2.570 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)NCCCN1CCOC1=O ZINC000077526770 508328099 /nfs/dbraw/zinc/32/80/99/508328099.db2.gz BNAXWCFFWUOCJN-UHFFFAOYSA-N 0 0 374.485 2.661 20 10 FFCDRN O=C(/C=C/c1cccnc1)N1CC(=O)Nc2cc(Br)ccc21 ZINC000089239016 508393093 /nfs/dbraw/zinc/39/30/93/508393093.db2.gz UPMSPSFIAPSIBD-ZZXKWVIFSA-N 0 0 358.195 2.843 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1cccn(CC(F)(F)F)c1=O ZINC000127217327 508416948 /nfs/dbraw/zinc/41/69/48/508416948.db2.gz VDKKYXPADHWQTF-UHFFFAOYSA-N 0 0 355.316 2.780 20 10 FFCDRN CCC(=O)N1CC[C@@H](C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000157235079 508540533 /nfs/dbraw/zinc/54/05/33/508540533.db2.gz RVWVKZWGIIJMGV-GOSISDBHSA-N 0 0 357.498 2.894 20 10 FFCDRN Cc1nc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c(C)s1 ZINC000153541381 508594293 /nfs/dbraw/zinc/59/42/93/508594293.db2.gz OWMBXWZCBQRMHD-UHFFFAOYSA-N 0 0 373.522 2.828 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000128961038 508664466 /nfs/dbraw/zinc/66/44/66/508664466.db2.gz IRCGZOXTOOYLFY-OAQYLSRUSA-N 0 0 366.461 2.796 20 10 FFCDRN Nc1nccc([C@H]2CCC[N@H+](Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2)n1 ZINC000377704108 512410003 /nfs/dbraw/zinc/41/00/03/512410003.db2.gz VWUVPHLJPRUXES-JTQLQIEISA-N 0 0 363.805 2.536 20 10 FFCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000123900297 508755573 /nfs/dbraw/zinc/75/55/73/508755573.db2.gz KJRUNUIVHDAHTH-UHFFFAOYSA-N 0 0 374.462 2.911 20 10 FFCDRN C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000371469098 512420201 /nfs/dbraw/zinc/42/02/01/512420201.db2.gz DAAHAHUZDYILOB-IJEWVQPXSA-N 0 0 369.849 2.637 20 10 FFCDRN Cc1cc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccn1 ZINC000119655163 508837395 /nfs/dbraw/zinc/83/73/95/508837395.db2.gz SDHBGSHRXNKWOA-UHFFFAOYSA-N 0 0 354.454 2.920 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCc2ccccc2[C@H]1CO ZINC000130750053 508840772 /nfs/dbraw/zinc/84/07/72/508840772.db2.gz GGVPVUQBCQEUIL-OAQYLSRUSA-N 0 0 363.461 2.864 20 10 FFCDRN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000120057484 508918754 /nfs/dbraw/zinc/91/87/54/508918754.db2.gz NSXHKDQCGXKWHE-ZDUSSCGKSA-N 0 0 364.423 2.561 20 10 FFCDRN CC(=O)N1CCN(c2ccc(OC[C@H](O)c3ccccc3F)cc2)CC1 ZINC000120105312 508929839 /nfs/dbraw/zinc/92/98/39/508929839.db2.gz XPNFVYWVGBZBSP-FQEVSTJZSA-N 0 0 358.413 2.607 20 10 FFCDRN CCc1ncsc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000160435918 508986830 /nfs/dbraw/zinc/98/68/30/508986830.db2.gz BQULRFGGUAGHFQ-UHFFFAOYSA-N 0 0 359.495 2.844 20 10 FFCDRN NS(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCCCCC3)c2)cc1 ZINC000132121170 508997537 /nfs/dbraw/zinc/99/75/37/508997537.db2.gz INNNCBOMMBTOBA-UHFFFAOYSA-N 0 0 373.478 2.967 20 10 FFCDRN COc1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)ccc1F ZINC000155479273 509009933 /nfs/dbraw/zinc/00/99/33/509009933.db2.gz SAZKEVVBUNQEMG-UHFFFAOYSA-N 0 0 372.440 2.973 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Nc3ccc4c(c3)OCC(=O)N4)ccc21 ZINC000120779194 509063266 /nfs/dbraw/zinc/06/32/66/509063266.db2.gz VNILMTVPBYZICJ-UHFFFAOYSA-N 0 0 366.421 2.722 20 10 FFCDRN CN1CCCc2cc(CNC(=O)Nc3cnc4c(c3)COCC4)ccc21 ZINC000371499820 512435610 /nfs/dbraw/zinc/43/56/10/512435610.db2.gz IYCNNTAWLHLQCU-UHFFFAOYSA-N 0 0 352.438 2.858 20 10 FFCDRN COc1ccc(F)c(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000151856630 509097457 /nfs/dbraw/zinc/09/74/57/509097457.db2.gz KKUJIXCPOOLUSX-UHFFFAOYSA-N 0 0 359.401 2.993 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3nnc(C(C)C)s3)cc2)CC1 ZINC000191857659 509215905 /nfs/dbraw/zinc/21/59/05/509215905.db2.gz OUWFHPRMDXAQDK-UHFFFAOYSA-N 0 0 359.499 2.942 20 10 FFCDRN CCCCCC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000185520842 509219603 /nfs/dbraw/zinc/21/96/03/509219603.db2.gz RXRMEAMGJUUHLE-UHFFFAOYSA-N 0 0 350.459 2.941 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCCN(CC(F)F)CC1 ZINC000162516625 509242046 /nfs/dbraw/zinc/24/20/46/509242046.db2.gz GKURPZNAXCFKEE-UHFFFAOYSA-N 0 0 364.440 2.545 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)[C@@H]1COc2ccc(Br)cc21 ZINC000182535831 509290999 /nfs/dbraw/zinc/29/09/99/509290999.db2.gz VGEPSKHOCSKMLG-GFCCVEGCSA-N 0 0 364.195 2.653 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000176046067 509294177 /nfs/dbraw/zinc/29/41/77/509294177.db2.gz IYVDNLGGHBMGBQ-UHFFFAOYSA-N 0 0 370.388 2.951 20 10 FFCDRN COc1cccc(CNC(=O)c2cccc(OC[C@H]3CCCO3)c2)c1O ZINC000264258279 509416719 /nfs/dbraw/zinc/41/67/19/509416719.db2.gz IOUQVWRDTAYORJ-QGZVFWFLSA-N 0 0 357.406 2.889 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000186043615 509495843 /nfs/dbraw/zinc/49/58/43/509495843.db2.gz XOFKEMJYYBNJPT-CYBMUJFWSA-N 0 0 364.442 2.922 20 10 FFCDRN Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(O)c1O ZINC000267560963 509541996 /nfs/dbraw/zinc/54/19/96/509541996.db2.gz GJGKDCVDWGISHV-HNNXBMFYSA-N 0 0 357.406 2.933 20 10 FFCDRN CCC[C@H](NC(=O)Cc1ccc(N)cc1)C(=O)N1CCc2sccc2C1 ZINC000236981939 509546552 /nfs/dbraw/zinc/54/65/52/509546552.db2.gz RELHWIOWVKQGGA-KRWDZBQOSA-N 0 0 371.506 2.743 20 10 FFCDRN COCCN(Cc1nnc2n1CCCCC2)c1ccc(OC)c(OC)c1 ZINC000267652612 509584448 /nfs/dbraw/zinc/58/44/48/509584448.db2.gz XYVJMCFQGZWFNV-UHFFFAOYSA-N 0 0 360.458 2.675 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c(C)n1 ZINC000176563483 509586629 /nfs/dbraw/zinc/58/66/29/509586629.db2.gz LOPDSXZWPGERDK-UHFFFAOYSA-N 0 0 352.438 2.554 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N(C[C@H]1CCOC1)C1CC1 ZINC000264554178 509597194 /nfs/dbraw/zinc/59/71/94/509597194.db2.gz MFWLDKGGZOQVMN-BYVAAYKLSA-N 0 0 356.466 2.564 20 10 FFCDRN COc1ccc(O)c([C@H](C)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1 ZINC000186260853 509607532 /nfs/dbraw/zinc/60/75/32/509607532.db2.gz HKJWSHXOCAJUJK-HNNXBMFYSA-N 0 0 370.449 2.975 20 10 FFCDRN COc1cccc([C@@H](C)N2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1 ZINC000237280706 509611773 /nfs/dbraw/zinc/61/17/73/509611773.db2.gz IBSRKROSVQOTPM-MRXNPFEDSA-N 0 0 353.466 2.725 20 10 FFCDRN CC(C)Cn1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000183171620 509639545 /nfs/dbraw/zinc/63/95/45/509639545.db2.gz HSCLIKFMQIEMGE-UHFFFAOYSA-N 0 0 370.497 2.678 20 10 FFCDRN C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)Cc1ccc(N)cc1 ZINC000237504215 509664660 /nfs/dbraw/zinc/66/46/60/509664660.db2.gz BAVXLXLOGBAVPI-SFHVURJKSA-N 0 0 367.493 2.561 20 10 FFCDRN CCOCc1cc(CN[C@@H]2CS(=O)(=O)c3ccccc32)ccc1OC ZINC000267950178 509682856 /nfs/dbraw/zinc/68/28/56/509682856.db2.gz SXBFUZBQIYUVCE-QGZVFWFLSA-N 0 0 361.463 2.850 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H](O)Cc1cccc(C(F)(F)F)c1 ZINC000186413442 509697436 /nfs/dbraw/zinc/69/74/36/509697436.db2.gz PRPVLMIDHBWURH-INIZCTEOSA-N 0 0 353.340 2.973 20 10 FFCDRN Cc1cc(C(=O)NCCN(C)CC(F)(F)F)c(C)n1-c1ccccn1 ZINC000264776872 509699229 /nfs/dbraw/zinc/69/92/29/509699229.db2.gz LSQVZHXPFNVVNX-UHFFFAOYSA-N 0 0 354.376 2.713 20 10 FFCDRN Cc1cc(C)cc(N2CC[C@@H](C(=O)NCCc3ccc(N)cc3)C2=O)c1 ZINC000237642420 509699816 /nfs/dbraw/zinc/69/98/16/509699816.db2.gz ZXZLJXUQVKXMSZ-IBGZPJMESA-N 0 0 351.450 2.597 20 10 FFCDRN C[C@@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)NC(=O)C1CCCCC1 ZINC000186421877 509700275 /nfs/dbraw/zinc/70/02/75/509700275.db2.gz NTSHXFKVKSQRMG-KBPBESRZSA-N 0 0 362.470 2.620 20 10 FFCDRN COc1ccc(O)c([C@H](C)Nc2ccc(OC)c(-n3nnnc3C)c2)c1 ZINC000186437528 509707268 /nfs/dbraw/zinc/70/72/68/509707268.db2.gz HORFAOVRXZRGTA-NSHDSACASA-N 0 0 355.398 2.867 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCS(=O)(=O)c3ccccc3C2)c1O ZINC000186567276 509775007 /nfs/dbraw/zinc/77/50/07/509775007.db2.gz VQGQMEBINORDHQ-UHFFFAOYSA-N 0 0 363.410 2.523 20 10 FFCDRN Cc1cc(C)n(-c2ccc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cn2)n1 ZINC000183423793 509780837 /nfs/dbraw/zinc/78/08/37/509780837.db2.gz KHABNNAOCXAJPH-LBPRGKRZSA-N 0 0 366.421 2.656 20 10 FFCDRN Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cn2)n1 ZINC000183423816 509780909 /nfs/dbraw/zinc/78/09/09/509780909.db2.gz KHABNNAOCXAJPH-GFCCVEGCSA-N 0 0 366.421 2.656 20 10 FFCDRN Nc1ccc(CCNC(=O)c2ccc(S(=O)(=O)C3CCCC3)cc2)cc1 ZINC000237958497 509786494 /nfs/dbraw/zinc/78/64/94/509786494.db2.gz DUWMCUVTVRUWEN-UHFFFAOYSA-N 0 0 372.490 2.958 20 10 FFCDRN Nc1ccc(CC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC000238075812 509815746 /nfs/dbraw/zinc/81/57/46/509815746.db2.gz CIFQLJHMVNMOJV-UHFFFAOYSA-N 0 0 368.462 2.896 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)S(=O)(=O)CCC(C)(C)C ZINC000264998945 509815865 /nfs/dbraw/zinc/81/58/65/509815865.db2.gz UYWSMSCKZWINOR-UHFFFAOYSA-N 0 0 354.516 2.721 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN(Cc2cccnc2)C2CC2)cc1 ZINC000180279122 509846742 /nfs/dbraw/zinc/84/67/42/509846742.db2.gz MTLABARGIBWDJL-UHFFFAOYSA-N 0 0 352.482 2.771 20 10 FFCDRN O=C(CC1OCCCO1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000193382255 509889356 /nfs/dbraw/zinc/88/93/56/509889356.db2.gz BPFRIVAPOBETGI-CYBMUJFWSA-N 0 0 370.396 2.526 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CC[C@H]3CC[C@@H](C)O3)CC2)cc1F ZINC000177284512 509977583 /nfs/dbraw/zinc/97/75/83/509977583.db2.gz VYCXCVUCBGOCHW-GDBMZVCRSA-N 0 0 350.434 2.831 20 10 FFCDRN CCc1ccccc1NC(=O)CN(C)c1ccc(OCC(=O)OC)cc1 ZINC000183805404 509983341 /nfs/dbraw/zinc/98/33/41/509983341.db2.gz OSQOFFOEKVTNKE-UHFFFAOYSA-N 0 0 356.422 2.876 20 10 FFCDRN COc1ccc(O)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000265432371 510050894 /nfs/dbraw/zinc/05/08/94/510050894.db2.gz SABCGYSVRRKYJR-MRXNPFEDSA-N 0 0 357.406 2.928 20 10 FFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cccc(C)c3O)c2)CC1 ZINC000187125948 510074186 /nfs/dbraw/zinc/07/41/86/510074186.db2.gz WSGJQHVONPJDRJ-UHFFFAOYSA-N 0 0 353.422 2.621 20 10 FFCDRN CC[C@]1(CO)CCCN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000187131793 510077762 /nfs/dbraw/zinc/07/77/62/510077762.db2.gz BLVKJGLPRNQZBT-JLXBBBJOSA-N 0 0 358.482 2.548 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2 ZINC000184148115 510160279 /nfs/dbraw/zinc/16/02/79/510160279.db2.gz FNLODXTXPHEYIQ-SNVBAGLBSA-N 0 0 357.366 2.934 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(O)c1O ZINC000177669317 510191017 /nfs/dbraw/zinc/19/10/17/510191017.db2.gz ZBGOYAPNNWLUBR-UHFFFAOYSA-N 0 0 354.406 2.897 20 10 FFCDRN CCOc1cccc(CNc2cccc3c2CCN3S(C)(=O)=O)c1O ZINC000184220583 510200887 /nfs/dbraw/zinc/20/08/87/510200887.db2.gz URAGHTKQTFOCFH-UHFFFAOYSA-N 0 0 362.451 2.725 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3sccc3C)cc2)CC1 ZINC000190580418 510220149 /nfs/dbraw/zinc/22/01/49/510220149.db2.gz KDNNZPIZSKXMLY-UHFFFAOYSA-N 0 0 357.479 2.655 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CC3=CCCCC3)cc2)CC1 ZINC000190584303 510222244 /nfs/dbraw/zinc/22/22/44/510222244.db2.gz MJPSHZSQARBAMB-UHFFFAOYSA-N 0 0 355.482 2.862 20 10 FFCDRN COc1cccc(CNC(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)c1O ZINC000174673511 510243021 /nfs/dbraw/zinc/24/30/21/510243021.db2.gz ZNFSPIXOLOQTOU-AWEZNQCLSA-N 0 0 360.414 2.858 20 10 FFCDRN O=C(C=Cc1ccc(O)c(O)c1)N1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000181294282 510342232 /nfs/dbraw/zinc/34/22/32/510342232.db2.gz BSZJAPFMZAYVCZ-YOIVXCQUSA-N 0 0 354.410 2.513 20 10 FFCDRN Cc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000266107578 510412589 /nfs/dbraw/zinc/41/25/89/510412589.db2.gz TVYBNWYKXNKSBD-UHFFFAOYSA-N 0 0 355.394 2.670 20 10 FFCDRN COc1cc(N2CCN(Cc3cccc(O)c3)CC2)cc(OC)c1OC ZINC000184752154 510500647 /nfs/dbraw/zinc/50/06/47/510500647.db2.gz RBKKGYAGGSZFJZ-UHFFFAOYSA-N 0 0 358.438 2.740 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C3(NC(C)=O)CCCCC3)CC2)cc1 ZINC000194807875 510537634 /nfs/dbraw/zinc/53/76/34/510537634.db2.gz LDIFBYCACGAVSZ-UHFFFAOYSA-N 0 0 373.497 2.573 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Cc1cc(F)cc2c1OCOC2 ZINC000266367204 510542844 /nfs/dbraw/zinc/54/28/44/510542844.db2.gz TXSRQUPYDBDJNF-UHFFFAOYSA-N 0 0 372.396 2.726 20 10 FFCDRN COc1cccc(CNC(=O)[C@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1O ZINC000266434699 510585233 /nfs/dbraw/zinc/58/52/33/510585233.db2.gz JPJJKPKLAQEMOS-CABCVRRESA-N 0 0 355.390 2.592 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[C@H]1CCCCO1 ZINC000181835623 510618267 /nfs/dbraw/zinc/61/82/67/510618267.db2.gz FUJZNPPBXAUQGC-LJQANCHMSA-N 0 0 361.486 2.624 20 10 FFCDRN O=C(NCC[C@@H](O)c1ccccc1)NCc1ccc(N2CC=CC2)cc1 ZINC000266548455 510651347 /nfs/dbraw/zinc/65/13/47/510651347.db2.gz RSYCRPGLUQCNOY-HXUWFJFHSA-N 0 0 351.450 2.986 20 10 FFCDRN CCc1cnc(CN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)s1 ZINC000175514685 510670068 /nfs/dbraw/zinc/67/00/68/510670068.db2.gz MKRGFSDIRHAIJA-UHFFFAOYSA-N 0 0 360.527 2.862 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2c[nH]c(=S)[nH]2)cc1 ZINC000188322857 510709508 /nfs/dbraw/zinc/70/95/08/510709508.db2.gz NADAKNZFINASMT-HNNXBMFYSA-N 0 0 360.483 2.586 20 10 FFCDRN C[C@](O)(CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000270235523 510728245 /nfs/dbraw/zinc/72/82/45/510728245.db2.gz VWBYYUABIKAWMP-KUHUBIRLSA-N 0 0 368.424 2.924 20 10 FFCDRN Cc1ncccc1NC(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000266712206 510744432 /nfs/dbraw/zinc/74/44/32/510744432.db2.gz BDXCZUXXYAZFDS-UHFFFAOYSA-N 0 0 352.438 2.586 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Nc1ccn(C)n1 ZINC000175830544 510813578 /nfs/dbraw/zinc/81/35/78/510813578.db2.gz ZXZOSFCNJPGIEN-UHFFFAOYSA-N 0 0 353.220 2.942 20 10 FFCDRN Cc1nn(C)cc1[C@@H](C)NC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000172599467 510813381 /nfs/dbraw/zinc/81/33/81/510813381.db2.gz WKXJQTKZHGWCRB-RHSMWYFYSA-N 0 0 372.469 2.886 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2ccncn2)cc1 ZINC000191790649 510831803 /nfs/dbraw/zinc/83/18/03/510831803.db2.gz PBLOWIUYRZDXCK-FQEVSTJZSA-N 0 0 368.481 2.683 20 10 FFCDRN CCn1ncc2cc(C(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)c(C)nc21 ZINC000282212212 510888538 /nfs/dbraw/zinc/88/85/38/510888538.db2.gz HMGHBIHZDGFFRX-NSHDSACASA-N 0 0 354.410 2.532 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1 ZINC000275400012 510897399 /nfs/dbraw/zinc/89/73/99/510897399.db2.gz BVNVFMQHVPWOKS-RBUKOAKNSA-N 0 0 356.470 2.612 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)c3ncn(C)n3)ccc21 ZINC000275439100 510899598 /nfs/dbraw/zinc/89/95/98/510899598.db2.gz HHCQJOSAXVEFMQ-ZDUSSCGKSA-N 0 0 355.442 2.524 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCC([C@H]2CCCO2)CC1 ZINC000275849452 510918776 /nfs/dbraw/zinc/91/87/76/510918776.db2.gz HVFQEFDKUIEAKU-HXUWFJFHSA-N 0 0 373.497 2.624 20 10 FFCDRN CCOCCOCCN(C)C(=O)NCc1ccc(N(CC)CC)cc1 ZINC000276052085 510925910 /nfs/dbraw/zinc/92/59/10/510925910.db2.gz ALRLFDWCHLFSEG-UHFFFAOYSA-N 0 0 351.491 2.727 20 10 FFCDRN CN(C)c1ccc(CNc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1F ZINC000276170997 510928980 /nfs/dbraw/zinc/92/89/80/510928980.db2.gz HFIZQXNJCFWGEX-UHFFFAOYSA-N 0 0 367.402 2.816 20 10 FFCDRN CCc1cc(NCc2ccc(N3CCN(C(C)=O)CC3)cc2)nc(C)n1 ZINC000276310996 510932054 /nfs/dbraw/zinc/93/20/54/510932054.db2.gz NDPRVUFAXVXQCI-UHFFFAOYSA-N 0 0 353.470 2.628 20 10 FFCDRN CCOCc1cc(C[NH2+]CC2(S(C)(=O)=O)CCCC2)ccc1OC ZINC000285532697 510944575 /nfs/dbraw/zinc/94/45/75/510944575.db2.gz PYFJILDFFSBVEH-UHFFFAOYSA-N 0 0 355.500 2.679 20 10 FFCDRN COC(=O)[C@@H](NCc1ccc(N(C)C)c(F)c1)c1ccc(OC)c(O)c1 ZINC000276738517 510945988 /nfs/dbraw/zinc/94/59/88/510945988.db2.gz ILOFIJVSXSGVBH-SFHVURJKSA-N 0 0 362.401 2.610 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCO[C@H](C2CC2)C1 ZINC000277321538 510960352 /nfs/dbraw/zinc/96/03/52/510960352.db2.gz UGEKCAUMVPHHKX-ZBFHGGJFSA-N 0 0 364.829 2.767 20 10 FFCDRN C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000270745830 510971186 /nfs/dbraw/zinc/97/11/86/510971186.db2.gz STRGZWMYCARIKU-MGPUTAFESA-N 0 0 358.482 2.517 20 10 FFCDRN CC(C)OC(=O)CCCNC(=O)NCc1cccc(Br)c1O ZINC000277760928 510972341 /nfs/dbraw/zinc/97/23/41/510972341.db2.gz OLMRZHXFBCQKAH-UHFFFAOYSA-N 0 0 373.247 2.686 20 10 FFCDRN C[C@H]1OCC[C@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000361103284 510992341 /nfs/dbraw/zinc/99/23/41/510992341.db2.gz NSKDWKMTUZYRFP-MLGOLLRUSA-N 0 0 354.397 2.798 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000278892411 511012994 /nfs/dbraw/zinc/01/29/94/511012994.db2.gz FELBAYZFAMYDAT-MRXNPFEDSA-N 0 0 371.441 2.769 20 10 FFCDRN COc1c(O)c(CNc2cccc(C[S@@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000278936500 511015050 /nfs/dbraw/zinc/01/50/50/511015050.db2.gz WXZHRSVMHZPQDN-XMMPIXPASA-N 0 0 350.396 2.800 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N(C)Cc2ccco2)cc1F ZINC000286244301 511021119 /nfs/dbraw/zinc/02/11/19/511021119.db2.gz BVTIQFKVNJBRRE-UHFFFAOYSA-N 0 0 361.417 2.540 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Cc3csc4nccn34)CC2)cc1 ZINC000361269456 511022808 /nfs/dbraw/zinc/02/28/08/511022808.db2.gz UPQPWQZTSHVSQL-UHFFFAOYSA-N 0 0 370.478 2.686 20 10 FFCDRN O=C(CCC(=O)c1cccc(F)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000270927112 511027990 /nfs/dbraw/zinc/02/79/90/511027990.db2.gz BPHRCDHXNXONOO-UHFFFAOYSA-N 0 0 370.424 2.942 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(CCC(N)=O)CC2)cc1 ZINC000270958037 511037395 /nfs/dbraw/zinc/03/73/95/511037395.db2.gz QERHIRSMDFESLL-UHFFFAOYSA-N 0 0 360.502 2.720 20 10 FFCDRN Cc1c(C(F)(F)F)nn(C)c1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000286963526 511037662 /nfs/dbraw/zinc/03/76/62/511037662.db2.gz CGSQLAQVHGIOJI-UHFFFAOYSA-N 0 0 358.320 2.523 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)C(F)(F)F ZINC000287042174 511038178 /nfs/dbraw/zinc/03/81/78/511038178.db2.gz DEQZDZPVLMFYQB-LBPRGKRZSA-N 0 0 359.392 2.645 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccccc1C ZINC000282598519 511040353 /nfs/dbraw/zinc/04/03/53/511040353.db2.gz UIHHCWACRJIVQH-INIZCTEOSA-N 0 0 360.479 2.662 20 10 FFCDRN CNC(=O)CC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287438907 511049093 /nfs/dbraw/zinc/04/90/93/511049093.db2.gz LUWPALKBBOOQHW-IBGZPJMESA-N 0 0 370.497 2.653 20 10 FFCDRN O=C(c1ccc2oc(=O)[nH]c2c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000287506502 511052355 /nfs/dbraw/zinc/05/23/55/511052355.db2.gz HYIOLDZDKZFOOS-HNNXBMFYSA-N 0 0 368.389 2.648 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@@H](NC(N)=O)C(C)(C)C)cc2)CC1 ZINC000282664343 511066015 /nfs/dbraw/zinc/06/60/15/511066015.db2.gz MEIKACVSWVYLHO-QGZVFWFLSA-N 0 0 360.502 2.622 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCC1(O)CCOCC1 ZINC000288288836 511070298 /nfs/dbraw/zinc/07/02/98/511070298.db2.gz QUONZLXBHNLVAN-UHFFFAOYSA-N 0 0 363.502 2.604 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CCOC)c1ccco1 ZINC000288634914 511081750 /nfs/dbraw/zinc/08/17/50/511081750.db2.gz RMAUIIAMASBKRU-INIZCTEOSA-N 0 0 374.437 2.618 20 10 FFCDRN Cc1cc(=O)cc(C)n1CCCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000289437970 511100804 /nfs/dbraw/zinc/10/08/04/511100804.db2.gz YPPZPXFYPCBZFC-UHFFFAOYSA-N 0 0 355.482 2.970 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H](c3ccccc3)OC2=O)cc1F ZINC000289525910 511103060 /nfs/dbraw/zinc/10/30/60/511103060.db2.gz DYEBYJHDQPKFSH-YJBOKZPZSA-N 0 0 356.397 2.812 20 10 FFCDRN CC1(C)CCCc2sc(NC(=O)C(=O)NCc3ccccc3O)nc21 ZINC000290187151 511129930 /nfs/dbraw/zinc/12/99/30/511129930.db2.gz GOCDNRKJMCYMJF-UHFFFAOYSA-N 0 0 359.451 2.718 20 10 FFCDRN COC(=O)Cc1occ(C)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000290262307 511133057 /nfs/dbraw/zinc/13/30/57/511133057.db2.gz VIMVJXWARGGUOC-UHFFFAOYSA-N 0 0 356.422 2.616 20 10 FFCDRN CCCn1ccnc1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000290323569 511133524 /nfs/dbraw/zinc/13/35/24/511133524.db2.gz DESZCEGBAXUADL-UHFFFAOYSA-N 0 0 362.430 2.980 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC2(CCOCC2)O1 ZINC000279614841 511146548 /nfs/dbraw/zinc/14/65/48/511146548.db2.gz SIRQMZHRHGZADJ-QGZVFWFLSA-N 0 0 371.481 2.542 20 10 FFCDRN C[C@@H](O)C[C@H]1CCCCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000279624204 511150653 /nfs/dbraw/zinc/15/06/53/511150653.db2.gz HZOLIXMEFFDNMN-JACSLDNWSA-N 0 0 358.482 2.688 20 10 FFCDRN C[C@H]1OCC[C@]12CN(C(=O)NCc1ccc(N3CC=CC3)cc1)C[C@@H](C)O2 ZINC000279636494 511154915 /nfs/dbraw/zinc/15/49/15/511154915.db2.gz VJEIYFQNLCZESG-LZJOCLMNSA-N 0 0 371.481 2.541 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)CCc2cnccn2)cc1 ZINC000279637206 511156086 /nfs/dbraw/zinc/15/60/86/511156086.db2.gz CQCFISHOCOHXMJ-FQEVSTJZSA-N 0 0 368.481 2.683 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@@H](CO)c1ccc(F)cc1 ZINC000271303499 511156287 /nfs/dbraw/zinc/15/62/87/511156287.db2.gz KVBCBBBFVOUHKE-VLHDLNNZSA-N 0 0 370.424 2.525 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F ZINC000298086631 511170894 /nfs/dbraw/zinc/17/08/94/511170894.db2.gz KLMBLAYMFSVKOI-CYBMUJFWSA-N 0 0 360.376 2.834 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CCc1ccc(C(N)=O)cc1 ZINC000294789402 511178127 /nfs/dbraw/zinc/17/81/27/511178127.db2.gz SKQMLSCIVDXCEG-UHFFFAOYSA-N 0 0 353.466 2.833 20 10 FFCDRN Cc1nc2ccccn2c1[C@H]1C(=O)NCCN1Cc1cc(C)c(C)cc1O ZINC000362375165 511182382 /nfs/dbraw/zinc/18/23/82/511182382.db2.gz BJJUAYXYRVSGFB-FQEVSTJZSA-N 0 0 364.449 2.638 20 10 FFCDRN COC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@H]1CCCO1 ZINC000279718404 511188166 /nfs/dbraw/zinc/18/81/66/511188166.db2.gz LKDXCGRLOYAFNC-RTBURBONSA-N 0 0 361.486 2.621 20 10 FFCDRN COC(=O)c1cnc(SCc2nnnn2-c2c(C)cccc2C)s1 ZINC000294906045 511216258 /nfs/dbraw/zinc/21/62/58/511216258.db2.gz AYLVCVAIJKKQGD-UHFFFAOYSA-N 0 0 361.452 2.815 20 10 FFCDRN Cc1cccc(C(=O)N2CCCN(C(=O)c3c(F)ccc(O)c3O)CC2)c1 ZINC000294910684 511219001 /nfs/dbraw/zinc/21/90/01/511219001.db2.gz SGARXHZDBXAWSV-UHFFFAOYSA-N 0 0 372.396 2.534 20 10 FFCDRN CCN(CCc1cccs1)C(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000298273256 511231479 /nfs/dbraw/zinc/23/14/79/511231479.db2.gz HABTVOHYGPHUBI-UHFFFAOYSA-N 0 0 373.522 2.864 20 10 FFCDRN COC(=O)[C@@H](c1ccsc1)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000279848009 511238751 /nfs/dbraw/zinc/23/87/51/511238751.db2.gz AUXHSDKBAFHOHN-GOSISDBHSA-N 0 0 360.479 2.931 20 10 FFCDRN CCOc1ccc([N+](=O)[O-])c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000283128341 511246644 /nfs/dbraw/zinc/24/66/44/511246644.db2.gz NJPNLQUEDVOYRF-LLVKDONJSA-N 0 0 360.366 2.766 20 10 FFCDRN CCOc1ccc(O)c(CNc2cccc(C3CC(=O)NC(=O)C3)c2)c1 ZINC000295000073 511249149 /nfs/dbraw/zinc/24/91/49/511249149.db2.gz IICHIFAZKJTKEQ-UHFFFAOYSA-N 0 0 354.406 2.923 20 10 FFCDRN Cc1csc(CCCC(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000283159080 511257218 /nfs/dbraw/zinc/25/72/18/511257218.db2.gz WLRKLSHRUCXHKR-UHFFFAOYSA-N 0 0 359.495 2.927 20 10 FFCDRN Cc1ccoc1CNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000291609286 511265709 /nfs/dbraw/zinc/26/57/09/511265709.db2.gz 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ZINC000280204139 511374841 /nfs/dbraw/zinc/37/48/41/511374841.db2.gz ALQQDPMNDJFMPC-CVEARBPZSA-N 0 0 360.429 2.608 20 10 FFCDRN CC[C@H]1Oc2cc([C@H](C)NC(=O)c3c(F)ccc(O)c3O)ccc2NC1=O ZINC000295368956 511379908 /nfs/dbraw/zinc/37/99/08/511379908.db2.gz RPAIAXOQGUJCPG-LKFCYVNXSA-N 0 0 374.368 2.837 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC2(CC(OCC)C2)C1 ZINC000298736588 511393243 /nfs/dbraw/zinc/39/32/43/511393243.db2.gz PEQWQQLMPJMMFI-UHFFFAOYSA-N 0 0 374.481 2.548 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccnc2c1nnn2C ZINC000283566859 511417981 /nfs/dbraw/zinc/41/79/81/511417981.db2.gz KAAKHSTVYVJLAU-UHFFFAOYSA-N 0 0 364.453 2.626 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@H](C)CO[C@@H]1CCOC1 ZINC000283606687 511432459 /nfs/dbraw/zinc/43/24/59/511432459.db2.gz LQEOFKCZEUSNFJ-NVXWUHKLSA-N 0 0 350.459 2.898 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cnc(CC)nc1 ZINC000283614787 511435613 /nfs/dbraw/zinc/43/56/13/511435613.db2.gz NHLAPGMBWGOHCT-UHFFFAOYSA-N 0 0 356.426 2.512 20 10 FFCDRN CCC1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCOCC1 ZINC000272377172 511492475 /nfs/dbraw/zinc/49/24/75/511492475.db2.gz VNGOTDYPIRQXHO-UHFFFAOYSA-N 0 0 364.461 2.610 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000295725630 511496871 /nfs/dbraw/zinc/49/68/71/511496871.db2.gz VCDOWDNSOGCODP-SECBINFHSA-N 0 0 373.306 2.930 20 10 FFCDRN C[C@@H]1CN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cn2)C[C@H](C)O1 ZINC000272559126 511498247 /nfs/dbraw/zinc/49/82/47/511498247.db2.gz ZQLABMTXLXETCG-RNABNYGGSA-N 0 0 369.421 2.758 20 10 FFCDRN C[C@@H]1CN(Cc2cc(Br)ccc2O)CC2(CCOCC2)O1 ZINC000280560150 511511357 /nfs/dbraw/zinc/51/13/57/511511357.db2.gz UVFFOPRJWITSMM-GFCCVEGCSA-N 0 0 356.260 2.925 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000280562735 511512102 /nfs/dbraw/zinc/51/21/02/511512102.db2.gz VKJKWRLNUZRFJB-MSOLQXFVSA-N 0 0 356.466 2.777 20 10 FFCDRN Cc1cc2c(cc1NC(=O)NCc1ccc(N3CCOCC3)cc1)OCO2 ZINC000272913960 511512685 /nfs/dbraw/zinc/51/26/85/511512685.db2.gz QYTBUAKRLGYBNT-UHFFFAOYSA-N 0 0 369.421 2.882 20 10 FFCDRN COc1cccc(CO[C@@H](C)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273177062 511519261 /nfs/dbraw/zinc/51/92/61/511519261.db2.gz NNFSIGARMAAUQC-KBPBESRZSA-N 0 0 359.422 2.759 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273343607 511522822 /nfs/dbraw/zinc/52/28/22/511522822.db2.gz ABGHVSBPWQOYMT-LBPRGKRZSA-N 0 0 363.435 2.897 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2ccc(CS(C)(=O)=O)cc2)c1 ZINC000273343605 511523251 /nfs/dbraw/zinc/52/32/51/511523251.db2.gz ABGHVSBPWQOYMT-GFCCVEGCSA-N 0 0 363.435 2.897 20 10 FFCDRN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)c(O)c1C ZINC000273446607 511525709 /nfs/dbraw/zinc/52/57/09/511525709.db2.gz FELBADIINIAQTB-KGLIPLIRSA-N 0 0 369.508 2.556 20 10 FFCDRN COc1ccc(O)c(C[NH2+][C@@H](c2ccc(C)cc2)[C@@H](C)S(C)(=O)=O)c1 ZINC000280601888 511527966 /nfs/dbraw/zinc/52/79/66/511527966.db2.gz CNDBYDMMMMTGIU-AUUYWEPGSA-N 0 0 363.479 2.973 20 10 FFCDRN CCCNC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000280603830 511528359 /nfs/dbraw/zinc/52/83/59/511528359.db2.gz RHVBAMSQFYFVBY-CYBMUJFWSA-N 0 0 371.437 2.990 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(N3CCOC3=O)cc2)c1 ZINC000273488807 511528774 /nfs/dbraw/zinc/52/87/74/511528774.db2.gz WGUWVTPIQAIEMB-ZDUSSCGKSA-N 0 0 370.405 2.986 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)Nc1ccc([N+](=O)[O-])cc1F ZINC000273507597 511529013 /nfs/dbraw/zinc/52/90/13/511529013.db2.gz WIRGEUWAIWOOMG-UHFFFAOYSA-N 0 0 374.372 2.892 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H](C)Nc2cccc(N3CCNC3=O)c2)c1 ZINC000273497002 511529335 /nfs/dbraw/zinc/52/93/35/511529335.db2.gz PHRUQWOBVNFBBS-GFCCVEGCSA-N 0 0 355.394 2.882 20 10 FFCDRN COC(=O)c1ccc(O)c([C@H](C)N[C@@H](CO)c2c(F)cccc2F)c1 ZINC000273536053 511530436 /nfs/dbraw/zinc/53/04/36/511530436.db2.gz XKJKFECOKREHBI-BONVTDFDSA-N 0 0 351.349 2.841 20 10 FFCDRN C[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273612646 511551334 /nfs/dbraw/zinc/55/13/34/511551334.db2.gz WQSPKFZQTFDBLY-LLVKDONJSA-N 0 0 374.312 2.902 20 10 FFCDRN Cc1cccc(CNC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000283950965 511554633 /nfs/dbraw/zinc/55/46/33/511554633.db2.gz IDNQCBGUPRUTQK-UHFFFAOYSA-N 0 0 351.450 2.528 20 10 FFCDRN CN(CCc1cccs1)C(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284085779 511599854 /nfs/dbraw/zinc/59/98/54/511599854.db2.gz NUEBEHYNXYKPLA-UHFFFAOYSA-N 0 0 371.506 2.666 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000299365408 511608311 /nfs/dbraw/zinc/60/83/11/511608311.db2.gz YOLHRCYPOHQLKQ-UHFFFAOYSA-N 0 0 364.442 2.615 20 10 FFCDRN CN1CCCc2cc(CNC(=O)C3CCN(CC(F)F)CC3)ccc21 ZINC000280817606 511614753 /nfs/dbraw/zinc/61/47/53/511614753.db2.gz RJWAUYCYOLYGMJ-UHFFFAOYSA-N 0 0 351.441 2.662 20 10 FFCDRN COC(=O)c1cnc(SC[C@@H](O)COCc2ccccc2OC)s1 ZINC000296111738 511623960 /nfs/dbraw/zinc/62/39/60/511623960.db2.gz LAGBBBHSASIAHU-LBPRGKRZSA-N 0 0 369.464 2.608 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)Nc1sc(S(C)(=O)=O)cc1[N+](=O)[O-] ZINC000273856337 511633522 /nfs/dbraw/zinc/63/35/22/511633522.db2.gz LIZUXXKZADHBGC-QMMMGPOBSA-N 0 0 372.424 2.514 20 10 FFCDRN CC(C)CC(=O)Nc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1 ZINC000299482797 511653852 /nfs/dbraw/zinc/65/38/52/511653852.db2.gz HNGXFIIAGKNKQS-UHFFFAOYSA-N 0 0 369.421 2.632 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccccc1OC1CCCC1 ZINC000299494826 511659014 /nfs/dbraw/zinc/65/90/14/511659014.db2.gz KIYQAOMYYALREM-UHFFFAOYSA-N 0 0 354.406 2.969 20 10 FFCDRN COc1ccc(C(=O)N2CCCC2)cc1NC(=O)NCc1ccccc1O ZINC000299498696 511659705 /nfs/dbraw/zinc/65/97/05/511659705.db2.gz LEMGMWZJGQHKCZ-UHFFFAOYSA-N 0 0 369.421 2.959 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2ccccc2-c2cnn(C)c2)ccc1[N+](=O)[O-] ZINC000365829223 511673097 /nfs/dbraw/zinc/67/30/97/511673097.db2.gz WZYAOCPPGLRISO-UHFFFAOYSA-N 0 0 368.393 2.999 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@H](Cc4ccccc4)C3)cc2N1 ZINC000301712087 511701961 /nfs/dbraw/zinc/70/19/61/511701961.db2.gz YGMJYLFYTLTAEP-CQSZACIVSA-N 0 0 353.378 2.995 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3Cc4ccccc4C4(CC4)C3)cc2N1 ZINC000302409363 511708496 /nfs/dbraw/zinc/70/84/96/511708496.db2.gz HZALUNBVVARZMX-UHFFFAOYSA-N 0 0 351.362 2.978 20 10 FFCDRN COC[C@@]1(CNC(=O)N(C)Cc2ccccc2O)OCCc2ccccc21 ZINC000292821380 511733284 /nfs/dbraw/zinc/73/32/84/511733284.db2.gz ZVLYOBAMWRRNRQ-OAQYLSRUSA-N 0 0 370.449 2.648 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000292907105 511767117 /nfs/dbraw/zinc/76/71/17/511767117.db2.gz CORSITRDFYEMEL-FAZYEBOESA-N 0 0 371.408 2.704 20 10 FFCDRN CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)NCc1ccc(N(C)C)cc1 ZINC000284705867 511832686 /nfs/dbraw/zinc/83/26/86/511832686.db2.gz KEOMZRDLHDIGCI-HKUYNNGSSA-N 0 0 371.485 2.859 20 10 FFCDRN O=C(CCCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc(O)c(O)c1 ZINC000274431417 511832928 /nfs/dbraw/zinc/83/29/28/511832928.db2.gz VVAOSXXATJNUSD-UHFFFAOYSA-N 0 0 371.389 2.538 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)N[C@H](c1nccs1)C(F)(F)F ZINC000296728420 511872486 /nfs/dbraw/zinc/87/24/86/511872486.db2.gz CBDKOVIEUHXFOL-LLVKDONJSA-N 0 0 361.345 2.700 20 10 FFCDRN O=C(NCCCOCCOCc1ccccc1)c1c(F)ccc(O)c1O ZINC000296745079 511881221 /nfs/dbraw/zinc/88/12/21/511881221.db2.gz KCACMVJDGUMYCD-UHFFFAOYSA-N 0 0 363.385 2.590 20 10 FFCDRN C[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@@H](O)c1ccccc1 ZINC000293490372 511983945 /nfs/dbraw/zinc/98/39/45/511983945.db2.gz RTSYJJZQDSAAQW-RFWDUCAVSA-N 0 0 366.461 2.775 20 10 FFCDRN C[C@@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1 ZINC000293490375 511984110 /nfs/dbraw/zinc/98/41/10/511984110.db2.gz RTSYJJZQDSAAQW-YDWFPUCSSA-N 0 0 366.461 2.775 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000329144079 511991919 /nfs/dbraw/zinc/99/19/19/511991919.db2.gz MQTMCJZAWOTBON-UHFFFAOYSA-N 0 0 374.462 2.665 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2ccc(N(C)C)cc2)CC1 ZINC000293593591 512020875 /nfs/dbraw/zinc/02/08/75/512020875.db2.gz XISOKGOEOWRNGS-CQSZACIVSA-N 0 0 354.450 2.943 20 10 FFCDRN Fc1cc(CN[C@H](c2cccs2)c2nc[nH]n2)ccc1N1CCOCC1 ZINC000293714722 512060208 /nfs/dbraw/zinc/06/02/08/512060208.db2.gz MDVRPCIYYXIXGV-QGZVFWFLSA-N 0 0 373.457 2.721 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)c(O)c1 ZINC000373664168 512447529 /nfs/dbraw/zinc/44/75/29/512447529.db2.gz BTIVSETVHDDMCX-HXUWFJFHSA-N 0 0 368.433 2.771 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000371609412 512491774 /nfs/dbraw/zinc/49/17/74/512491774.db2.gz VRMRFBGMMOOXDF-XCVZWFEFSA-N 0 0 360.360 2.784 20 10 FFCDRN COC(=O)[C@H]1CN(C(=O)c2c(C)onc2-c2cccnc2)c2ccccc21 ZINC000375762322 512492888 /nfs/dbraw/zinc/49/28/88/512492888.db2.gz XYYMWGHCFLVAER-HNNXBMFYSA-N 0 0 363.373 2.962 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n(C)n1 ZINC000369709952 512566582 /nfs/dbraw/zinc/56/65/82/512566582.db2.gz IVAUVAAXKQVAHI-CYBMUJFWSA-N 0 0 364.396 2.729 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CCC(O)CC1 ZINC000376093805 512658404 /nfs/dbraw/zinc/65/84/04/512658404.db2.gz IYPQGULMBRJWRA-UHFFFAOYSA-N 0 0 368.424 2.924 20 10 FFCDRN Cc1nc(-c2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)no1 ZINC000372000879 512673904 /nfs/dbraw/zinc/67/39/04/512673904.db2.gz ACXGKLOWHKCRDD-UHFFFAOYSA-N 0 0 354.366 2.820 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@H]2[C@H]2CCCO2)c(C)n1-c1ccccn1 ZINC000376230500 512722391 /nfs/dbraw/zinc/72/23/91/512722391.db2.gz PFDMLFQDANOTMA-ZWKOTPCHSA-N 0 0 355.438 2.509 20 10 FFCDRN COc1ccc(CNC(=O)NC[C@@H]2CC(c3ccc(C)cc3)=NO2)c(O)c1 ZINC000374395079 512812937 /nfs/dbraw/zinc/81/29/37/512812937.db2.gz KLNATTYJOPBAMU-KRWDZBQOSA-N 0 0 369.421 2.702 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H](c2ccccc2)[C@H]2CCOC2)c1O ZINC000374500269 512860912 /nfs/dbraw/zinc/86/09/12/512860912.db2.gz FFXKEAXMRPOOHD-WMZOPIPTSA-N 0 0 356.422 2.978 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c(O)c1 ZINC000368362491 512914152 /nfs/dbraw/zinc/91/41/52/512914152.db2.gz GIASVMGXUGLBEI-APPDUMDISA-N 0 0 362.451 2.964 20 10 FFCDRN CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)cc(OC)c1O ZINC000368628159 513033822 /nfs/dbraw/zinc/03/38/22/513033822.db2.gz ZQICFHBFTUIXRD-INIZCTEOSA-N 0 0 360.841 2.727 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN[C@@H](c2ccccc2Cl)C1 ZINC000374869391 513046945 /nfs/dbraw/zinc/04/69/45/513046945.db2.gz RIPMNJNVOPXCEE-IQIBNGDESA-N 0 0 358.825 2.938 20 10 FFCDRN CCO[C@@H]1CCCC[C@H]1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000422382050 513740615 /nfs/dbraw/zinc/74/06/15/513740615.db2.gz ONYGHTFGQLDODN-VQIMIIECSA-N 0 0 371.481 2.567 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCN(CC(F)F)C1 ZINC000416710387 513920096 /nfs/dbraw/zinc/92/00/96/513920096.db2.gz IKYRTKSITFAGCU-ZDUSSCGKSA-N 0 0 350.413 2.625 20 10 FFCDRN COc1ccc(O[C@@H](C)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000437014189 514074967 /nfs/dbraw/zinc/07/49/67/514074967.db2.gz DGMFRCIIGOSIEX-AWEZNQCLSA-N 0 0 356.422 2.954 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccnc(OC)n3)ccc21 ZINC000452298037 514275969 /nfs/dbraw/zinc/27/59/69/514275969.db2.gz BKJRSIAHLLUZPI-UHFFFAOYSA-N 0 0 368.437 2.633 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@H]3CCOC[C@@H]3OC)ccc21 ZINC000452623690 514429310 /nfs/dbraw/zinc/42/93/10/514429310.db2.gz CCSVDLWWEHQWKA-XLIONFOSSA-N 0 0 374.481 2.686 20 10 FFCDRN COC[C@@H]1CN(C(=O)NCc2c(C)c3ccccc3n2C)CC(C)(C)O1 ZINC000502627053 514721899 /nfs/dbraw/zinc/72/18/99/514721899.db2.gz KDPZCOSMOOHZIW-HNNXBMFYSA-N 0 0 359.470 2.822 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cn1c(=O)cnc2ccccc21 ZINC000471236507 514808497 /nfs/dbraw/zinc/80/84/97/514808497.db2.gz WZEWYSWYCFCFBN-UHFFFAOYSA-N 0 0 360.417 2.513 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccccc1SCC(N)=O ZINC000471233123 514808673 /nfs/dbraw/zinc/80/86/73/514808673.db2.gz HCEFFTGHJHJBKY-UHFFFAOYSA-N 0 0 367.474 2.994 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCNC(=O)c1ccccc1 ZINC000471610402 514954433 /nfs/dbraw/zinc/95/44/33/514954433.db2.gz MPQWBTHWKNEVOV-UHFFFAOYSA-N 0 0 364.449 2.716 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000472274735 515197370 /nfs/dbraw/zinc/19/73/70/515197370.db2.gz JLMRZRJSJGNXBN-UHFFFAOYSA-N 0 0 372.513 2.739 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N(C)C1(CCO)CCOCC1 ZINC000472296023 515211531 /nfs/dbraw/zinc/21/15/31/515211531.db2.gz SVMCZODTUDXHQX-UHFFFAOYSA-N 0 0 359.470 2.560 20 10 FFCDRN O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1cnn(C2CC2)c1 ZINC000528862295 516756980 /nfs/dbraw/zinc/75/69/80/516756980.db2.gz MXPLCSZCLBKPJV-MRXNPFEDSA-N 0 0 374.872 2.971 20 10 FFCDRN CNC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c(OC)c1 ZINC000529184398 516989572 /nfs/dbraw/zinc/98/95/72/516989572.db2.gz ICEJPKGUBRMTAJ-LLVKDONJSA-N 0 0 373.409 2.652 20 10 FFCDRN CCc1c(NC(=O)C2=S=c3ccc(C)cc3=C2)n[nH]c1-c1ccncc1 ZINC000519722135 517148154 /nfs/dbraw/zinc/14/81/54/517148154.db2.gz HWXIBHNJENTRKX-UHFFFAOYSA-N 0 0 362.458 2.932 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCO[C@@]2(CCOC2)C1 ZINC000525920554 517233804 /nfs/dbraw/zinc/23/38/04/517233804.db2.gz RDZNYNGPPHMDDT-YWZLYKJASA-N 0 0 357.454 2.624 20 10 FFCDRN Cc1cc(-c2nc(-c3cnn(C)c3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000556061143 517249104 /nfs/dbraw/zinc/24/91/04/517249104.db2.gz RGWATJXTAMWXDK-UHFFFAOYSA-N 0 0 365.418 2.662 20 10 FFCDRN CCO[C@@H]1COCC[C@H]1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000546054994 517517885 /nfs/dbraw/zinc/51/78/85/517517885.db2.gz NNKPINJERXJSGW-UYAOXDASSA-N 0 0 374.481 2.828 20 10 FFCDRN COc1cc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)cc(OC)c1OC ZINC000542365699 517523341 /nfs/dbraw/zinc/52/33/41/517523341.db2.gz OMMUIJZOKNKOHG-UHFFFAOYSA-N 0 0 368.393 2.774 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000530207292 517631225 /nfs/dbraw/zinc/63/12/25/517631225.db2.gz FNXWABUQNOSQCF-ZSYFIWHWSA-N 0 0 352.818 2.622 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@H](C)OC2(CCOCC2)C1 ZINC000527467509 517694490 /nfs/dbraw/zinc/69/44/90/517694490.db2.gz LMBYYPUPPCBBSM-HNNXBMFYSA-N 0 0 371.481 2.966 20 10 FFCDRN O=C(Nc1ccc(-c2nc(C[C@H]3CCCO3)no2)cc1)C1=S=CC=C1 ZINC000546593882 517745055 /nfs/dbraw/zinc/74/50/55/517745055.db2.gz RFMAMQMPOGDOHF-CQSZACIVSA-N 0 0 355.419 2.674 20 10 FFCDRN CCN(Cc1cn(C)nn1)C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000542869098 517790439 /nfs/dbraw/zinc/79/04/39/517790439.db2.gz MBSGMMLLFAVAAL-UHFFFAOYSA-N 0 0 369.469 2.695 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCS[C@H](C(C)C)C1 ZINC000564003060 518265767 /nfs/dbraw/zinc/26/57/67/518265767.db2.gz KGLQHEQLRCKKKY-SFHVURJKSA-N 0 0 373.522 2.703 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)C[C@@H]1CC=CCC1 ZINC000578789480 518374162 /nfs/dbraw/zinc/37/41/62/518374162.db2.gz CQSXPGITUPTFDE-MRXNPFEDSA-N 0 0 353.466 2.918 20 10 FFCDRN O=c1c2cc([N+](=O)[O-])ccc2nc2n1CC/C2=C/c1cn(C2CCC2)nn1 ZINC000594695366 520093535 /nfs/dbraw/zinc/09/35/35/520093535.db2.gz FCWVTZMILDVXAL-FLIBITNWSA-N 0 0 364.365 2.566 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H](n1cccn1)C(F)(F)F ZINC000611657006 521267750 /nfs/dbraw/zinc/26/77/50/521267750.db2.gz HXOZSEMNXFGDPN-OAHLLOKOSA-N 0 0 368.359 2.868 20 10 FFCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736132247 598274952 /nfs/dbraw/zinc/27/49/52/598274952.db2.gz ARVRWSFYYWDBDC-SECBINFHSA-N 0 0 374.788 2.985 20 10 FFCDRN Cc1cc(C(=O)NC[C@H]2C[C@@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235026 598610537 /nfs/dbraw/zinc/61/05/37/598610537.db2.gz QCOAUBPAWWUDFS-XHDPSFHLSA-N 0 0 350.426 2.660 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@H](C)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737234947 598611937 /nfs/dbraw/zinc/61/19/37/598611937.db2.gz QCMPFEWVRBSLSW-GFCCVEGCSA-N 0 0 350.426 2.756 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)c1O ZINC000833306821 601632401 /nfs/dbraw/zinc/63/24/01/601632401.db2.gz AEKWBLSGYXDSQK-MSOLQXFVSA-N 0 0 357.406 2.623 20 10 FFCDRN COC(=O)c1cc2ccccc2c(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1O ZINC000739780119 603397810 /nfs/dbraw/zinc/39/78/10/603397810.db2.gz MXWQCESGOSIMDZ-YVEFUNNKSA-N 0 0 372.421 2.810 20 10 FFCDRN C[C@@H]([NH2+]CCCN(C(=O)[O-])C1CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825491079 604266650 /nfs/dbraw/zinc/26/66/50/604266650.db2.gz VZUUZMSQRNYXON-CQSZACIVSA-N 0 0 365.449 2.845 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000833694960 604645562 /nfs/dbraw/zinc/64/55/62/604645562.db2.gz GAGGBLHEUUSVID-LJQANCHMSA-N 0 0 358.413 2.920 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1ccc(-c2nn[nH]n2)cc1C ZINC000825323013 607705511 /nfs/dbraw/zinc/70/55/11/607705511.db2.gz NGIDZWSSXPBKPB-UHFFFAOYSA-N 0 0 351.410 2.933 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc[nH]2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822176651 606022594 /nfs/dbraw/zinc/02/25/94/606022594.db2.gz NNCLIVRZPVTLGL-UHFFFAOYSA-N 0 0 361.409 2.532 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000821222649 606573915 /nfs/dbraw/zinc/57/39/15/606573915.db2.gz WAGPKAGKCNTDJG-UHFFFAOYSA-N 0 0 350.426 2.595 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl ZINC000821615581 607198109 /nfs/dbraw/zinc/19/81/09/607198109.db2.gz DCHLTDLNAWENJR-UHFFFAOYSA-N 0 0 358.789 2.890 20 10 FFCDRN CCN(C(=O)C=Cc1cccnc1)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825367325 608344718 /nfs/dbraw/zinc/34/47/18/608344718.db2.gz NIHRSKWPTXFZFQ-YVMONPNESA-N 0 0 354.801 2.981 20 10 FFCDRN CCN(C(=O)c1ccc(C)c(O)c1O)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825380838 608865911 /nfs/dbraw/zinc/86/59/11/608865911.db2.gz UYTNTWZVLSBFHW-GFCCVEGCSA-N 0 0 367.409 2.810 20 10 FFCDRN CCOC(=O)Nc1ccc(NCc2cccc(F)c2O)cc1-c1nn[nH]n1 ZINC000825553183 609488261 /nfs/dbraw/zinc/48/82/61/609488261.db2.gz LOKRXFZIPFHBFY-UHFFFAOYSA-N 0 0 372.360 2.892 20 10 FFCDRN C[C@](O)(CNC(=O)NCCCSc1nccs1)c1ccsc1 ZINC000154644372 728808977 /nfs/dbraw/zinc/80/89/77/728808977.db2.gz BWRKRDNEFAFBDX-AWEZNQCLSA-N 0 0 357.526 2.894 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCCS1 ZINC000158220226 728884481 /nfs/dbraw/zinc/88/44/81/728884481.db2.gz REDWRDPKASOBIE-INIZCTEOSA-N 0 0 351.541 2.935 20 10 FFCDRN CN(C[C@H]1CCC[C@H]1O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000159315765 728904627 /nfs/dbraw/zinc/90/46/27/728904627.db2.gz ICAAHLCTIBMPJK-SJLPKXTDSA-N 0 0 363.527 2.542 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H]2CCC[C@H]2O)cc1F ZINC000161028328 728928047 /nfs/dbraw/zinc/92/80/47/728928047.db2.gz PPYDVBYRMNTXQV-MAUKXSAKSA-N 0 0 351.466 2.974 20 10 FFCDRN Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000161757335 728935692 /nfs/dbraw/zinc/93/56/92/728935692.db2.gz ABLHFLLDBSNZJD-UHFFFAOYSA-N 0 0 363.483 2.876 20 10 FFCDRN COc1ccc(N2CCN(CCNc3ccsc3[N+](=O)[O-])CC2)cc1 ZINC000742926543 735263522 /nfs/dbraw/zinc/26/35/22/735263522.db2.gz FTSYTELAKAIDKI-UHFFFAOYSA-N 0 0 362.455 2.899 20 10 FFCDRN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C1(O)CCOCC1 ZINC000897989735 735301027 /nfs/dbraw/zinc/30/10/27/735301027.db2.gz PUDKDHRGHRPSCE-UHFFFAOYSA-N 0 0 365.451 2.610 20 10 FFCDRN Cn1cc([C@@]2(C[NH2+]Cc3cccc(Br)c3[O-])CCCO2)cn1 ZINC000898057077 735308296 /nfs/dbraw/zinc/30/82/96/735308296.db2.gz BAWZQEKMKTYZCH-INIZCTEOSA-N 0 0 366.259 2.684 20 10 FFCDRN CS(=O)(=O)c1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000743807800 735320642 /nfs/dbraw/zinc/32/06/42/735320642.db2.gz GQZNXBZVPRPTMT-UHFFFAOYSA-N 0 0 371.509 2.851 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)ccc1[N+](=O)[O-] ZINC000898516182 735374175 /nfs/dbraw/zinc/37/41/75/735374175.db2.gz NQPKLKXMNRSPNY-DZGCQCFKSA-N 0 0 350.415 2.948 20 10 FFCDRN CC(C)(C)N1C[C@H](CNC(=O)c2cc3cc(O)c(O)cc3s2)CC1=O ZINC000898976831 735428649 /nfs/dbraw/zinc/42/86/49/735428649.db2.gz BGVVDBFVNIMABZ-JTQLQIEISA-N 0 0 362.451 2.689 20 10 FFCDRN O=C(NCCCOCC1CC1)NCc1ccc(N2CCSCC2)cc1 ZINC000045131080 727998546 /nfs/dbraw/zinc/99/85/46/727998546.db2.gz CDNGDQYCEOZJEI-UHFFFAOYSA-N 0 0 363.527 2.856 20 10 FFCDRN C[C@@H](CCc1ccccc1)NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000055113120 728095038 /nfs/dbraw/zinc/09/50/38/728095038.db2.gz IRKGZEQCJJTBLY-ZDUSSCGKSA-N 0 0 362.451 2.515 20 10 FFCDRN C[C@H](NS(=O)(=O)c1cccs1)c1ccc(N2CCOCC2)cc1 ZINC000065277705 728156427 /nfs/dbraw/zinc/15/64/27/728156427.db2.gz ANNVVQKCEKCHIF-ZDUSSCGKSA-N 0 0 352.481 2.624 20 10 FFCDRN CCCN(CCC)S(=O)(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065277579 728156453 /nfs/dbraw/zinc/15/64/53/728156453.db2.gz JRFMWQXQARSNSP-MRXNPFEDSA-N 0 0 369.531 2.541 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2cccc(C(F)F)c2)c1O ZINC000077837569 728287018 /nfs/dbraw/zinc/28/70/18/728287018.db2.gz IQBOIFRKKXKFRY-UHFFFAOYSA-N 0 0 350.321 2.593 20 10 FFCDRN Cc1n[nH]c(C)c1CCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000080141254 728322845 /nfs/dbraw/zinc/32/28/45/728322845.db2.gz XWWGPDFPQWAHRE-UHFFFAOYSA-N 0 0 358.511 2.829 20 10 FFCDRN CC(=O)Nc1cccc(NC(=S)NCCN2CCc3ccccc32)c1 ZINC000899564466 735519412 /nfs/dbraw/zinc/51/94/12/735519412.db2.gz IFBRFWOSNJJWCB-UHFFFAOYSA-N 0 0 354.479 2.994 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cccc(OCC(F)F)n2)cc1F ZINC000089784768 728446238 /nfs/dbraw/zinc/44/62/38/728446238.db2.gz ZJPZKVWIFKOSFU-UHFFFAOYSA-N 0 0 353.344 2.861 20 10 FFCDRN COc1cc(Br)cc(CN2CC[C@](O)(C(F)(F)F)C2)c1O ZINC000093611585 728476596 /nfs/dbraw/zinc/47/65/96/728476596.db2.gz LZWKXZUBQLSCCX-GFCCVEGCSA-N 0 0 370.165 2.662 20 10 FFCDRN COC(=O)CN(Cc1ccc(N2CCOCC2)c(F)c1)C1CCCC1 ZINC000093707439 728477449 /nfs/dbraw/zinc/47/74/49/728477449.db2.gz NTUVECXCDVBCKH-UHFFFAOYSA-N 0 0 350.434 2.580 20 10 FFCDRN CCCC[C@H]1CCC[C@@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094102674 728479508 /nfs/dbraw/zinc/47/95/08/728479508.db2.gz CRYLOZQKXUQAOF-WFASDCNBSA-N 0 0 354.472 2.852 20 10 FFCDRN Cc1ncsc1CNC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000103864214 728500006 /nfs/dbraw/zinc/50/00/06/728500006.db2.gz VNXCFHVOUKFPLC-ZDUSSCGKSA-N 0 0 360.483 2.849 20 10 FFCDRN CCn1cc(S(=O)(=O)NCc2ccc(N3CCC(C)CC3)cc2)cn1 ZINC000108403589 728521282 /nfs/dbraw/zinc/52/12/82/728521282.db2.gz PAAJIRVKQWOILW-UHFFFAOYSA-N 0 0 362.499 2.618 20 10 FFCDRN CCCc1n[nH]c(=S)n1CC(=O)NCCCSc1nccs1 ZINC000114375620 728559951 /nfs/dbraw/zinc/55/99/51/728559951.db2.gz HCSRBMMWZTVYBR-UHFFFAOYSA-N 0 0 357.530 2.648 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Cc2csc(-c3ccccn3)n2)c1 ZINC000114543257 728561313 /nfs/dbraw/zinc/56/13/13/728561313.db2.gz JTHJOMPXAHVFJP-UHFFFAOYSA-N 0 0 355.419 2.778 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cccc(CS(C)(=O)=O)c1 ZINC000115280325 728564605 /nfs/dbraw/zinc/56/46/05/728564605.db2.gz BDYSYGFWUYUUGF-UHFFFAOYSA-N 0 0 360.479 2.536 20 10 FFCDRN COc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OC(F)F ZINC000747147955 735538694 /nfs/dbraw/zinc/53/86/94/735538694.db2.gz JQHRNPLLVXIKSC-LCYFTJDESA-N 0 0 370.377 2.599 20 10 FFCDRN Cc1cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cnc1Cl ZINC000117357775 728577961 /nfs/dbraw/zinc/57/79/61/728577961.db2.gz UNZZCGMAMLRVEF-UHFFFAOYSA-N 0 0 353.875 2.930 20 10 FFCDRN O=S(=O)(c1ccccc1F)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000119315537 728591667 /nfs/dbraw/zinc/59/16/67/728591667.db2.gz KIQHDLLETBVKMI-OAHLLOKOSA-N 0 0 365.426 2.901 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2cccc(Br)c2)c1 ZINC000119832098 728601216 /nfs/dbraw/zinc/60/12/16/728601216.db2.gz AGOPKOXVCOJIOU-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NOCc1cccnc1 ZINC000120169506 728607223 /nfs/dbraw/zinc/60/72/23/728607223.db2.gz KOKVYYGDHGOZBS-UHFFFAOYSA-N 0 0 358.467 2.566 20 10 FFCDRN C[C@@H]1CN(C)c2ccccc2N(S(=O)(=O)c2cccc3nonc32)C1 ZINC000120972988 728618397 /nfs/dbraw/zinc/61/83/97/728618397.db2.gz IECYXHIMMIOKJO-GFCCVEGCSA-N 0 0 358.423 2.504 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCCn1cc([N+](=O)[O-])ccc1=O ZINC000121873558 728640939 /nfs/dbraw/zinc/64/09/39/728640939.db2.gz AUSSNZVOBSACQG-UHFFFAOYSA-N 0 0 356.407 2.949 20 10 FFCDRN Cc1sc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] ZINC000122863602 728652772 /nfs/dbraw/zinc/65/27/72/728652772.db2.gz GZCGWEATEQTEJE-UHFFFAOYSA-N 0 0 369.468 2.851 20 10 FFCDRN CC[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H]1CCCO1 ZINC000123018547 728654287 /nfs/dbraw/zinc/65/42/87/728654287.db2.gz SUNONQCNNIRQSP-ROUUACIJSA-N 0 0 363.527 2.997 20 10 FFCDRN Cc1ncc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000125059039 728677947 /nfs/dbraw/zinc/67/79/47/728677947.db2.gz OETJQGNYLABDDW-CYBMUJFWSA-N 0 0 360.483 2.849 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)CO)c(C)n1-c1ccccc1Br ZINC000125250431 728681326 /nfs/dbraw/zinc/68/13/26/728681326.db2.gz ZJIIKFVOUJEOBK-JTQLQIEISA-N 0 0 351.244 2.967 20 10 FFCDRN CCCc1n[nH]c(C(=O)NCCCSc2nccs2)c1[N+](=O)[O-] ZINC000127063450 728705381 /nfs/dbraw/zinc/70/53/81/728705381.db2.gz KVJAAWYXTQYCAT-UHFFFAOYSA-N 0 0 355.445 2.639 20 10 FFCDRN CN(C)c1ccc(CNC(=O)COc2cccc(C(F)(F)F)n2)cc1 ZINC000131204144 728721720 /nfs/dbraw/zinc/72/17/20/728721720.db2.gz WJCOABIBJSUKNK-UHFFFAOYSA-N 0 0 353.344 2.862 20 10 FFCDRN CCCCc1nnc(NC(=O)CN(C)c2ccc(OC)cc2OC)s1 ZINC000132040388 728723507 /nfs/dbraw/zinc/72/35/07/728723507.db2.gz ZEKWALLFBCRIDQ-UHFFFAOYSA-N 0 0 364.471 2.973 20 10 FFCDRN CC[N@H+](CCO)Cc1cc(Br)cc(Br)c1[O-] ZINC000132476792 728724601 /nfs/dbraw/zinc/72/46/01/728724601.db2.gz YHHYGXMTBFCLQW-UHFFFAOYSA-N 0 0 353.054 2.731 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(Cl)ccc1F ZINC000134611073 728731438 /nfs/dbraw/zinc/73/14/38/728731438.db2.gz YANJSRQBFAPDDR-VIFPVBQESA-N 0 0 366.776 2.576 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCC[C@@H](C)[S@@](C)=O)c2C)cc1 ZINC000134630226 728731643 /nfs/dbraw/zinc/73/16/43/728731643.db2.gz DPTYCBJIKDAHND-PWECECGKSA-N 0 0 362.495 2.990 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC([C@@H](O)C(F)(F)F)CC2)cc1 ZINC000151968338 728747473 /nfs/dbraw/zinc/74/74/73/728747473.db2.gz QSXYMDIOGNJQBT-OAHLLOKOSA-N 0 0 359.392 2.597 20 10 FFCDRN CC(C)(C)c1cnc(SCC(=O)NC(=O)NCC(F)(F)F)s1 ZINC000164047273 728963329 /nfs/dbraw/zinc/96/33/29/728963329.db2.gz CWZAMLUJFXFULA-UHFFFAOYSA-N 0 0 355.407 2.921 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000171254102 729001131 /nfs/dbraw/zinc/00/11/31/729001131.db2.gz NLWJANNGLSQBNK-UHFFFAOYSA-N 0 0 358.825 2.880 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCOCC(F)(F)F)c1 ZINC000171740136 729011412 /nfs/dbraw/zinc/01/14/12/729011412.db2.gz ILIWUFKGPBTPFG-JTQLQIEISA-N 0 0 350.337 2.730 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCCOCC3CC3)CC2)cc1 ZINC000173838196 729054790 /nfs/dbraw/zinc/05/47/90/729054790.db2.gz RGFYBAOJXHABSK-UHFFFAOYSA-N 0 0 364.511 2.504 20 10 FFCDRN Cc1cc(S(=O)(=O)N2CCOc3cc(N(C)C)ccc32)cnc1Cl ZINC000174064278 729061769 /nfs/dbraw/zinc/06/17/69/729061769.db2.gz UJOAIWDTUBINPE-UHFFFAOYSA-N 0 0 367.858 2.697 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@]1(F)CCN(C(=O)OC(C)(C)C)C1 ZINC000175345705 729093828 /nfs/dbraw/zinc/09/38/28/729093828.db2.gz FQDXNLAJNFGNPQ-GOSISDBHSA-N 0 0 352.406 2.700 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COC3CCCCC3)CC2)cc1F ZINC000177285894 729133379 /nfs/dbraw/zinc/13/33/79/729133379.db2.gz FUCUUZVXSMYJAS-UHFFFAOYSA-N 0 0 350.434 2.832 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCCCSc2nccs2)cc1F ZINC000177761297 729145789 /nfs/dbraw/zinc/14/57/89/729145789.db2.gz BLCRGCJEFMXNIR-UHFFFAOYSA-N 0 0 353.444 2.828 20 10 FFCDRN CCOC(=O)CN(Cc1cc(Br)cc(OC)c1O)C(C)C ZINC000179424225 729186300 /nfs/dbraw/zinc/18/63/00/729186300.db2.gz UEENRYZGYHUGDR-UHFFFAOYSA-N 0 0 360.248 2.937 20 10 FFCDRN CC(=O)N1c2ccc(S(=O)(=O)Nc3ccc(O)cc3F)cc2C[C@H]1C ZINC000181625377 729253640 /nfs/dbraw/zinc/25/36/40/729253640.db2.gz CFCPGBNDVQIZNW-SNVBAGLBSA-N 0 0 364.398 2.630 20 10 FFCDRN CC(C)(C)n1ncc(C(=O)NCc2ccc(O)c(O)c2)c1C(F)(F)F ZINC000778923715 738421383 /nfs/dbraw/zinc/42/13/83/738421383.db2.gz QXSYVDUVUHZEHG-UHFFFAOYSA-N 0 0 357.332 2.998 20 10 FFCDRN COc1cc(O)c(CN2CCN(CC(F)(F)F)CC2(C)C)cc1OC ZINC000184799575 729333383 /nfs/dbraw/zinc/33/33/83/729333383.db2.gz IHBPKXXQCKZRSM-UHFFFAOYSA-N 0 0 362.392 2.868 20 10 FFCDRN COc1cc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)ccc1F ZINC000190586732 729409469 /nfs/dbraw/zinc/40/94/69/729409469.db2.gz XIYDBHBHVNAOBW-UHFFFAOYSA-N 0 0 356.394 2.518 20 10 FFCDRN CO[C@H](C)CNC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000190629570 729409692 /nfs/dbraw/zinc/40/96/92/729409692.db2.gz UWMNYZNVWONTQF-CHWSQXEVSA-N 0 0 357.401 2.591 20 10 FFCDRN O=C(CSC(F)(F)F)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000194060963 729498402 /nfs/dbraw/zinc/49/84/02/729498402.db2.gz WWBONKDEEXIHIB-UHFFFAOYSA-N 0 0 366.380 2.656 20 10 FFCDRN Cc1cc(Br)cc([C@@H](C)NCc2nnnn2CC2CC2)c1O ZINC000779050533 738432140 /nfs/dbraw/zinc/43/21/40/738432140.db2.gz BRWXRBAMADYLHN-SNVBAGLBSA-N 0 0 366.263 2.710 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)Nc1cncc2ccccc21 ZINC000759032121 736542423 /nfs/dbraw/zinc/54/24/23/736542423.db2.gz BWDCRSSFUYCELQ-UHFFFAOYSA-N 0 0 372.475 2.928 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1c(O)cccc1Cl ZINC000856211909 730316121 /nfs/dbraw/zinc/31/61/21/730316121.db2.gz CHLSCCLGOOUFSX-UHFFFAOYSA-N 0 0 360.841 2.937 20 10 FFCDRN COC(=O)c1cnc([C@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)s1 ZINC000856459562 730339196 /nfs/dbraw/zinc/33/91/96/730339196.db2.gz GOXMOWRISJCFEE-VIFPVBQESA-N 0 0 352.437 2.717 20 10 FFCDRN C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000857865509 730413169 /nfs/dbraw/zinc/41/31/69/730413169.db2.gz NATUBKHHYZORHF-TVQRCGJNSA-N 0 0 364.243 2.860 20 10 FFCDRN CN(C)c1cc(F)c(CNCCS(=O)(=O)c2ccccc2)cc1F ZINC000858109307 730416840 /nfs/dbraw/zinc/41/68/40/730416840.db2.gz PXASBHZUXPXTAB-UHFFFAOYSA-N 0 0 354.422 2.594 20 10 FFCDRN COc1ccccc1[C@@H](CO)NCc1c(O)cccc1Br ZINC000858139628 730417567 /nfs/dbraw/zinc/41/75/67/730417567.db2.gz XHJABMLJZQJYGQ-CQSZACIVSA-N 0 0 352.228 2.987 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](n2cccn2)C(F)(F)F)c1 ZINC000858449173 730426019 /nfs/dbraw/zinc/42/60/19/730426019.db2.gz JCKXIEFYMXCUBW-QMTHXVAHSA-N 0 0 357.332 2.830 20 10 FFCDRN CON(C)C(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Cl)c1[O-] ZINC000858580303 730429161 /nfs/dbraw/zinc/42/91/61/730429161.db2.gz MXTUIJPPHIIIJT-SFYZADRCSA-N 0 0 365.655 2.867 20 10 FFCDRN CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)N(C)Cc1ccccc1O ZINC000859004156 730439292 /nfs/dbraw/zinc/43/92/92/730439292.db2.gz IMMPJAXFVRMVQP-KRWDZBQOSA-N 0 0 367.442 2.551 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)CCc2c(F)cccc2F)c1 ZINC000859006985 730439346 /nfs/dbraw/zinc/43/93/46/730439346.db2.gz QTQANIKNAKZBMB-NSHDSACASA-N 0 0 371.405 2.902 20 10 FFCDRN Cc1cc(C(=O)NCCCSc2nccs2)nn1C1CCOCC1 ZINC000859351521 730451427 /nfs/dbraw/zinc/45/14/27/730451427.db2.gz FOVUGJNDTVZCDR-UHFFFAOYSA-N 0 0 366.512 2.912 20 10 FFCDRN Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000860950469 730561251 /nfs/dbraw/zinc/56/12/51/730561251.db2.gz NADWSADTPVTVPY-LLVKDONJSA-N 0 0 350.440 2.549 20 10 FFCDRN COC(=O)c1cccc(NNC(=S)Nc2cc(OC)ccc2OC)c1 ZINC000779726495 738479814 /nfs/dbraw/zinc/47/98/14/738479814.db2.gz FUCOAXLVTWIOFI-UHFFFAOYSA-N 0 0 361.423 2.804 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)C(=O)Nc2nc3c(s2)CCCCC3)c1 ZINC000862025452 730662270 /nfs/dbraw/zinc/66/22/70/730662270.db2.gz UUAMUTRVUCHLQK-UHFFFAOYSA-N 0 0 359.451 2.681 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ocnc3C(F)F)C2)cc1 ZINC000862035109 730663231 /nfs/dbraw/zinc/66/32/31/730663231.db2.gz IVKXFGJBSSYGQS-LLVKDONJSA-N 0 0 351.353 2.877 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@H]2C[C@]2(C)Br)cc1 ZINC000862128172 730668746 /nfs/dbraw/zinc/66/87/46/730668746.db2.gz AODQJVBRRANLNW-ZBFHGGJFSA-N 0 0 355.276 2.763 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3C[C@@]3(C)Br)C2)cc1 ZINC000862159061 730672357 /nfs/dbraw/zinc/67/23/57/730672357.db2.gz NZRFSSNLTVVUKX-HZUKXOBISA-N 0 0 353.260 2.564 20 10 FFCDRN Cc1nsc(N2CCN(Cc3cc(F)c(N(C)C)cc3F)CC2)n1 ZINC000862249237 730681683 /nfs/dbraw/zinc/68/16/83/730681683.db2.gz ZDIRQHXUNVJYKF-UHFFFAOYSA-N 0 0 353.442 2.513 20 10 FFCDRN CN(C)C(=O)O[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862383275 730694981 /nfs/dbraw/zinc/69/49/81/730694981.db2.gz OVZZMXJXZIMOEM-LLVKDONJSA-N 0 0 357.248 2.817 20 10 FFCDRN Oc1cccc(Br)c1C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000862388297 730695908 /nfs/dbraw/zinc/69/59/08/730695908.db2.gz ZOIUSZQVLDORBS-QPUJVOFHSA-N 0 0 354.166 2.900 20 10 FFCDRN O=S1(=O)CCN(Cc2c(O)cccc2Br)CCC12CCC2 ZINC000862395138 730696821 /nfs/dbraw/zinc/69/68/21/730696821.db2.gz WLWBKSBJYJSVGW-UHFFFAOYSA-N 0 0 374.300 2.698 20 10 FFCDRN Cc1ccc(O)c(CN2CCO[C@@H](c3ccc(S(C)(=O)=O)cc3)C2)c1 ZINC000862438771 730702563 /nfs/dbraw/zinc/70/25/63/730702563.db2.gz OHQIPYNLBAXAHH-LJQANCHMSA-N 0 0 361.463 2.678 20 10 FFCDRN CCN(CC)c1ccc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1F ZINC000862526252 730706448 /nfs/dbraw/zinc/70/64/48/730706448.db2.gz QWLJEPCJMRSIRR-CVEARBPZSA-N 0 0 354.491 2.823 20 10 FFCDRN Cc1csc([C@@](O)(CC(=O)NCc2cc(C)ccc2O)C(F)(F)F)n1 ZINC000862759179 730723780 /nfs/dbraw/zinc/72/37/80/730723780.db2.gz XYENJABMZSYMNT-HNNXBMFYSA-N 0 0 374.384 2.922 20 10 FFCDRN CCC(F)(F)C(C)(C)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000862945489 730735948 /nfs/dbraw/zinc/73/59/48/730735948.db2.gz YYCLMSOQBDEGNJ-UHFFFAOYSA-N 0 0 364.414 2.565 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CC[C@H](C(=O)[O-])[C@@H](C)C2)c1O ZINC000863739255 730805508 /nfs/dbraw/zinc/80/55/08/730805508.db2.gz JOVGWXHJFXXDGS-CABZTGNLSA-N 0 0 358.232 2.706 20 10 FFCDRN COc1ccc(CNCc2c(I)cnn2C)cc1C ZINC000865868719 731006180 /nfs/dbraw/zinc/00/61/80/731006180.db2.gz VZVNSXCXAAOGCM-UHFFFAOYSA-N 0 0 371.222 2.632 20 10 FFCDRN CCCCn1cc(S(=O)(=O)N[C@@H](C)c2cc(OC)ccc2O)c(C)n1 ZINC000866841345 731107067 /nfs/dbraw/zinc/10/70/67/731107067.db2.gz ADRQQJHNCXTJGP-LBPRGKRZSA-N 0 0 367.471 2.745 20 10 FFCDRN CN(C)C1(CS(=O)(=O)N(Cc2ccccc2O)C2CCCC2)CC1 ZINC000866844262 731107660 /nfs/dbraw/zinc/10/76/60/731107660.db2.gz QYPCAGTVAUFLFJ-UHFFFAOYSA-N 0 0 352.500 2.561 20 10 FFCDRN O=S(=O)(C[C@@H]1CCC1(F)F)NCc1cccc(Br)c1O ZINC000867195701 731153541 /nfs/dbraw/zinc/15/35/41/731153541.db2.gz WJVONWUBQTXNRF-VIFPVBQESA-N 0 0 370.215 2.619 20 10 FFCDRN COCCOc1ccc(F)cc1S(=O)(=O)N[C@H](C)c1ccccc1O ZINC000867833969 731231805 /nfs/dbraw/zinc/23/18/05/731231805.db2.gz AYVYYZRESGLUKZ-GFCCVEGCSA-N 0 0 369.414 2.596 20 10 FFCDRN O=C(NCC[C@H]1CCCS1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000868116738 731260528 /nfs/dbraw/zinc/26/05/28/731260528.db2.gz MPOXCHGBZBRWMD-OAHLLOKOSA-N 0 0 367.490 2.747 20 10 FFCDRN C[C@H](NC(=O)NCc1cccnc1OCC(F)F)c1ccccc1O ZINC000868460748 731294904 /nfs/dbraw/zinc/29/49/04/731294904.db2.gz CBNSXMRLSIWOKT-NSHDSACASA-N 0 0 351.353 2.992 20 10 FFCDRN C[C@H](NC(=O)NCc1nn(C)cc1C(F)F)c1ccc(N(C)C)cc1 ZINC000868515916 731299889 /nfs/dbraw/zinc/29/98/89/731299889.db2.gz WWLIEGPWDJWDNI-NSHDSACASA-N 0 0 351.401 2.984 20 10 FFCDRN C[C@@H](NC(=O)CCn1cc(Cl)cn1)c1ccc(N2CCOCC2)cc1 ZINC000920881650 737932697 /nfs/dbraw/zinc/93/26/97/737932697.db2.gz JWAYUPRLENAQRG-CQSZACIVSA-N 0 0 362.861 2.641 20 10 FFCDRN Cc1nc(CC(C)C)c(NC(=O)C(=O)N2Cc3cccc(O)c3C2)s1 ZINC000874100767 732010216 /nfs/dbraw/zinc/01/02/16/732010216.db2.gz TWTDEBIZTMXATF-UHFFFAOYSA-N 0 0 359.451 2.837 20 10 FFCDRN CC(C)(O)C(C)(C)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000875101739 732128340 /nfs/dbraw/zinc/12/83/40/732128340.db2.gz FCCSCXIDUUKNHT-UHFFFAOYSA-N 0 0 351.516 2.589 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N(C)Cc3ccns3)CC2)cc1 ZINC000875210892 732135384 /nfs/dbraw/zinc/13/53/84/732135384.db2.gz KGJSWFCRKWUWBC-UHFFFAOYSA-N 0 0 360.483 2.962 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NCC[C@@H](O)C(F)F)cc2)CC1 ZINC000875259271 732139179 /nfs/dbraw/zinc/13/91/79/732139179.db2.gz MXVFZJOPCSATON-MRXNPFEDSA-N 0 0 355.429 2.738 20 10 FFCDRN O=C(NCC1CCN(CC(F)(F)F)CC1)N1Cc2cccc(O)c2C1 ZINC000875515694 732163626 /nfs/dbraw/zinc/16/36/26/732163626.db2.gz LXZHZWWVQYNYJB-UHFFFAOYSA-N 0 0 357.376 2.692 20 10 FFCDRN Cc1ccc(C(=O)NCCOc2ccc(Br)cc2)c(O)c1O ZINC000780914306 738588082 /nfs/dbraw/zinc/58/80/82/738588082.db2.gz AYLLDZLPVRDEDL-UHFFFAOYSA-N 0 0 366.211 2.978 20 10 FFCDRN CN(C(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccc(N)cc1 ZINC000877081355 732321906 /nfs/dbraw/zinc/32/19/06/732321906.db2.gz ZNSKYSTZLAQIGV-UHFFFAOYSA-N 0 0 361.467 2.622 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@](C)(C(F)F)O1 ZINC000877644186 732404366 /nfs/dbraw/zinc/40/43/66/732404366.db2.gz SEVMKEWQMKBKIV-AUUYWEPGSA-N 0 0 354.441 2.892 20 10 FFCDRN O=C1NCCN1Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000877735623 732421516 /nfs/dbraw/zinc/42/15/16/732421516.db2.gz ZWYCDYUVGKDEJF-UHFFFAOYSA-N 0 0 363.820 3.000 20 10 FFCDRN CCOC(=O)c1ncc(CN(C)c2cc(OC)c(OC)c(OC)c2)s1 ZINC000878129133 732486504 /nfs/dbraw/zinc/48/65/04/732486504.db2.gz LIBWXOILPDLOGW-UHFFFAOYSA-N 0 0 366.439 2.982 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3nccnc3SC)CC2)cc1 ZINC000878346300 732517791 /nfs/dbraw/zinc/51/77/91/732517791.db2.gz HBNVUTVOTAIALQ-UHFFFAOYSA-N 0 0 358.467 2.560 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCN(CCO)C(C)(C)C1 ZINC000781687060 738649226 /nfs/dbraw/zinc/64/92/26/738649226.db2.gz MUQXPKKAZRJTLI-UHFFFAOYSA-N 0 0 361.511 2.684 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)Nc3nn(C)cc3Cl)C2)cc1 ZINC000881171899 733020215 /nfs/dbraw/zinc/02/02/15/733020215.db2.gz GHAUJGIVLPWCID-LBPRGKRZSA-N 0 0 363.849 2.730 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(c3nncn3C)CC2)c1 ZINC000781895569 738668834 /nfs/dbraw/zinc/66/88/34/738668834.db2.gz BZCJBEWQMFNCII-UHFFFAOYSA-N 0 0 365.275 2.971 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(C(=O)N(C)C)CC2)c1 ZINC000781895580 738668869 /nfs/dbraw/zinc/66/88/69/738668869.db2.gz VVUPFJPAWIOTRI-UHFFFAOYSA-N 0 0 355.276 2.763 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Nc3nn(C)cc3Cl)CC2)cc1 ZINC000881184126 733023424 /nfs/dbraw/zinc/02/34/24/733023424.db2.gz HTLCSLHYQRCNLL-UHFFFAOYSA-N 0 0 363.849 2.873 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000781910351 738671378 /nfs/dbraw/zinc/67/13/78/738671378.db2.gz UPZNCTKCGAIAEC-HUUCEWRRSA-N 0 0 356.260 2.843 20 10 FFCDRN CC1(C)[C@H](CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)C1(F)F ZINC000881786369 733108217 /nfs/dbraw/zinc/10/82/17/733108217.db2.gz VABFMENWWZOGKR-HNNXBMFYSA-N 0 0 358.454 2.998 20 10 FFCDRN C[C@H]([NH2+]C[C@H](O)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000927136762 738695445 /nfs/dbraw/zinc/69/54/45/738695445.db2.gz SBLTUNHGZHJHGL-SDBXPKJASA-N 0 0 374.666 2.926 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])s2)SC1=S ZINC000782193027 738696807 /nfs/dbraw/zinc/69/68/07/738696807.db2.gz CQIAKYQSWPTHTG-CLFYSBASSA-N 0 0 372.449 2.811 20 10 FFCDRN O=C(CC[NH2+]Cc1cc(Br)cc(F)c1[O-])N1CCCCC1 ZINC000882899989 733309089 /nfs/dbraw/zinc/30/90/89/733309089.db2.gz AUFYXQBMVARBMI-UHFFFAOYSA-N 0 0 359.239 2.786 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@H](O)C1CCOCC1 ZINC000883015923 733321466 /nfs/dbraw/zinc/32/14/66/733321466.db2.gz ITMVUIDTXPZPNA-CYBMUJFWSA-N 0 0 364.667 2.685 20 10 FFCDRN Cn1cc(Br)c(NCc2ccc(N3CCOCC3)cc2)n1 ZINC000883211206 733351319 /nfs/dbraw/zinc/35/13/19/733351319.db2.gz JFHJJUZRBNSPNO-UHFFFAOYSA-N 0 0 351.248 2.631 20 10 FFCDRN C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@H]3CCCS3)cc2)CC1 ZINC000883802331 733441673 /nfs/dbraw/zinc/44/16/73/733441673.db2.gz YKBDGTQLBPWXFP-GOSISDBHSA-N 0 0 362.543 2.523 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)N(C)CCCF)cc2F)C[C@H](C)O1 ZINC000884084562 733477037 /nfs/dbraw/zinc/47/70/37/733477037.db2.gz VAHPLXHERGMDFZ-KBPBESRZSA-N 0 0 355.429 2.940 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N(CC(F)F)C1CCC1 ZINC000884090296 733477705 /nfs/dbraw/zinc/47/77/05/733477705.db2.gz PLTLJGINUUMGNH-UHFFFAOYSA-N 0 0 353.413 2.852 20 10 FFCDRN O=[N+]([O-])c1cc(CN[C@H](CCO)C(F)(F)F)ccc1N1CCCCC1 ZINC000886371248 733778036 /nfs/dbraw/zinc/77/80/36/733778036.db2.gz HUUJXGBQDSPPJT-OAHLLOKOSA-N 0 0 361.364 2.988 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2c([O-])cccc2F)c1 ZINC000886520594 733799957 /nfs/dbraw/zinc/79/99/57/733799957.db2.gz ICVTVZLYRPUORD-VXGBXAGGSA-N 0 0 352.431 2.851 20 10 FFCDRN C[C@H]([NH2+]CCn1cc(Br)ccc1=O)c1c([O-])cccc1F ZINC000886615302 733809894 /nfs/dbraw/zinc/80/98/94/733809894.db2.gz CSYSLOPAYYWTMW-JTQLQIEISA-N 0 0 355.207 2.806 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000886771090 733830254 /nfs/dbraw/zinc/83/02/54/733830254.db2.gz CDALDHZMMXRSRB-BPTYRPCHSA-N 0 0 350.415 2.924 20 10 FFCDRN C[C@H](N[C@H](CCO)C(F)(F)F)c1ccc(N2CCOCC2)c(F)c1 ZINC000886796746 733838184 /nfs/dbraw/zinc/83/81/84/733838184.db2.gz IVFJSTQYBSPALI-XHDPSFHLSA-N 0 0 350.356 2.626 20 10 FFCDRN CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)cc(C(C)=O)c1O ZINC000886962896 733865508 /nfs/dbraw/zinc/86/55/08/733865508.db2.gz GTELXYDDKLMFKT-ZBFHGGJFSA-N 0 0 369.845 2.839 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000887854028 733984705 /nfs/dbraw/zinc/98/47/05/733984705.db2.gz TWEAOFQVSOPFJT-OLZOCXBDSA-N 0 0 363.435 2.723 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H](CCO)C(F)(F)F ZINC000889249355 734157143 /nfs/dbraw/zinc/15/71/43/734157143.db2.gz XKLXKNCXZOGYJV-IUODEOHRSA-N 0 0 361.408 2.605 20 10 FFCDRN CCc1csc(CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)n1 ZINC000891249897 734404523 /nfs/dbraw/zinc/40/45/23/734404523.db2.gz XRXVHLVZZYUKOJ-QGZVFWFLSA-N 0 0 360.527 2.733 20 10 FFCDRN Cc1cc(/C=C2/SC(=S)N(CC(N)=O)C2=O)c(C)n1-c1ccccc1 ZINC000727177020 734470333 /nfs/dbraw/zinc/47/03/33/734470333.db2.gz VLEGKWBTMSKRDG-OQLLNIDSSA-N 0 0 371.487 2.781 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCC(=O)NC1CCOCC1 ZINC000728095314 734516489 /nfs/dbraw/zinc/51/64/89/734516489.db2.gz LDQDAIMOTIQKEJ-UHFFFAOYSA-N 0 0 362.451 2.608 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccccc2SC)c1 ZINC000729065357 734556606 /nfs/dbraw/zinc/55/66/06/734556606.db2.gz DKJLDGSKYKVERD-LLVKDONJSA-N 0 0 360.435 2.939 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2cc(C(F)(F)F)on2)cc1F ZINC000892485379 734564465 /nfs/dbraw/zinc/56/44/65/734564465.db2.gz ILCINOIOEATTCD-UHFFFAOYSA-N 0 0 360.311 2.898 20 10 FFCDRN CC[C@@H](CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(C)C ZINC000729327178 734571275 /nfs/dbraw/zinc/57/12/75/734571275.db2.gz YZCCIWWWEQAUKD-KRWDZBQOSA-N 0 0 366.527 2.610 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CSc2nncn2C(C)C)c1 ZINC000729536986 734582933 /nfs/dbraw/zinc/58/29/33/734582933.db2.gz QMYSGFIMFYTINS-LLVKDONJSA-N 0 0 350.444 2.543 20 10 FFCDRN COc1cccc(CNC(=O)CN(C)c2nc3ccccc3s2)c1O ZINC000729859486 734599864 /nfs/dbraw/zinc/59/98/64/734599864.db2.gz SAVZRXWMRUNOEQ-UHFFFAOYSA-N 0 0 357.435 2.763 20 10 FFCDRN COc1cccc(CNC(=O)c2[nH]nc(C3CC3)c2Br)c1O ZINC000729859994 734600035 /nfs/dbraw/zinc/60/00/35/734600035.db2.gz OSAAJRCLYXDAEQ-UHFFFAOYSA-N 0 0 366.215 2.694 20 10 FFCDRN COC(=O)C[C@H](NC(=O)C1=CC(=O)CS1)c1ccc(OC)c(OC)c1 ZINC000731865250 734701660 /nfs/dbraw/zinc/70/16/60/734701660.db2.gz MDSMJNYZUKEOLT-LBPRGKRZSA-N 0 0 365.407 2.505 20 10 FFCDRN O=C(NC[C@@H](O)COc1cccc(C(F)(F)F)c1)C1=CC(=O)CS1 ZINC000731872179 734702365 /nfs/dbraw/zinc/70/23/65/734702365.db2.gz ZPLOXJRYJASYGF-LLVKDONJSA-N 0 0 361.341 2.642 20 10 FFCDRN COc1ccc(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)cc1OC ZINC000731909253 734704969 /nfs/dbraw/zinc/70/49/69/734704969.db2.gz DUBSMEIFHLJXDK-VIFPVBQESA-N 0 0 351.380 2.655 20 10 FFCDRN CC[C@H](NC(=O)C1=CC(=O)CS1)c1ccccc1OCC(=O)N(C)C ZINC000732273925 734729588 /nfs/dbraw/zinc/72/95/88/734729588.db2.gz GLUURFHMDGFGPZ-AWEZNQCLSA-N 0 0 362.451 2.802 20 10 FFCDRN COCCOC[C@@H]1CC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894070155 734796216 /nfs/dbraw/zinc/79/62/16/734796216.db2.gz OXXUJSYCOQNUMC-LLVKDONJSA-N 0 0 362.239 2.779 20 10 FFCDRN O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc(F)c2[O-])CN1 ZINC000894093571 734800148 /nfs/dbraw/zinc/80/01/48/734800148.db2.gz FTQUYTPXIIAGIV-HZMBPMFUSA-N 0 0 371.250 2.784 20 10 FFCDRN CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894096671 734801120 /nfs/dbraw/zinc/80/11/20/734801120.db2.gz YLBFZYDCVFKSQI-NSHDSACASA-N 0 0 359.239 2.594 20 10 FFCDRN Clc1nc(N2CCOCC2)sc1CNCc1ccc2c(c1)CCO2 ZINC000894212511 734819269 /nfs/dbraw/zinc/81/92/69/734819269.db2.gz DQHRZBADEYJTFU-UHFFFAOYSA-N 0 0 365.886 2.858 20 10 FFCDRN CCOC(=O)N1CCC[C@@H](C(=O)NCCCSc2nccs2)C1 ZINC000733972055 734864436 /nfs/dbraw/zinc/86/44/36/734864436.db2.gz KFVVYHHEXAVISX-GFCCVEGCSA-N 0 0 357.501 2.610 20 10 FFCDRN CC(C)C(=O)N1CCC(C(=O)NCCCSc2nccs2)CC1 ZINC000733973814 734865064 /nfs/dbraw/zinc/86/50/64/734865064.db2.gz XJOTYHZIIYZDPR-UHFFFAOYSA-N 0 0 355.529 2.636 20 10 FFCDRN CC(C)CNc1nc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cs1 ZINC000784086169 738860421 /nfs/dbraw/zinc/86/04/21/738860421.db2.gz WKFZNYPUMHYCIS-UHFFFAOYSA-N 0 0 350.396 2.662 20 10 FFCDRN CN(c1ccc(CNC(=O)NCC[S@@](C)=O)cc1)C1CCCCC1 ZINC000735095693 734929447 /nfs/dbraw/zinc/92/94/47/734929447.db2.gz JDMZNDGADMNULM-XMMPIXPASA-N 0 0 351.516 2.633 20 10 FFCDRN Cc1cc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)cnc1Cl ZINC000735317916 734941374 /nfs/dbraw/zinc/94/13/74/734941374.db2.gz JZEWFBREJCEADU-UHFFFAOYSA-N 0 0 353.875 2.896 20 10 FFCDRN CN1C[C@@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CCC1=O ZINC000895389535 734999542 /nfs/dbraw/zinc/99/95/42/734999542.db2.gz PPKHPTPDKJDGAQ-NSHDSACASA-N 0 0 361.667 2.861 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000895721665 735047918 /nfs/dbraw/zinc/04/79/18/735047918.db2.gz FXJWLWGESJBTGG-CYBMUJFWSA-N 0 0 356.260 2.518 20 10 FFCDRN O=C(NCc1cn2ccsc2n1)NCc1ccc(N2CC=CC2)cc1 ZINC000741076362 735116110 /nfs/dbraw/zinc/11/61/10/735116110.db2.gz QZMYDBQVYSQCFK-UHFFFAOYSA-N 0 0 353.451 2.771 20 10 FFCDRN CC[S@](=O)CCNC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000741423683 735141690 /nfs/dbraw/zinc/14/16/90/735141690.db2.gz HTFQRCSFQBWVHK-DEOSSOPVSA-N 0 0 351.516 2.587 20 10 FFCDRN COc1cc(N(C)C[C@@H](O)COCc2cccs2)cc(OC)c1OC ZINC000741804896 735163214 /nfs/dbraw/zinc/16/32/14/735163214.db2.gz CKNTZPWBPUYSES-CQSZACIVSA-N 0 0 367.467 2.788 20 10 FFCDRN [O-]c1c(F)c(F)ccc1C[NH2+]CC1(n2cc(Br)cn2)CC1 ZINC000896911785 735188015 /nfs/dbraw/zinc/18/80/15/735188015.db2.gz JSFZCWGLWVHTBK-UHFFFAOYSA-N 0 0 358.186 2.908 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1 ZINC000897260842 735212077 /nfs/dbraw/zinc/21/20/77/735212077.db2.gz PGNXYBVHTLMNCY-AWEZNQCLSA-N 0 0 370.287 2.969 20 10 FFCDRN Cc1ccsc1S(=O)(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000742283923 735219142 /nfs/dbraw/zinc/21/91/42/735219142.db2.gz JWJBRZMPMZEHOQ-CQSZACIVSA-N 0 0 366.508 2.933 20 10 FFCDRN Cc1ccc(N2CCN(S(=O)(=O)c3cccc4nsnc43)CC2)cc1 ZINC000784409320 738888609 /nfs/dbraw/zinc/88/86/09/738888609.db2.gz SHDGQERZYKCHTL-UHFFFAOYSA-N 0 0 374.491 2.511 20 10 FFCDRN Cc1cn(C(C)(C)C(=O)NCc2cccc(Br)c2O)cn1 ZINC000897575949 735250588 /nfs/dbraw/zinc/25/05/88/735250588.db2.gz AAKPPTPQMILEOA-UHFFFAOYSA-N 0 0 352.232 2.711 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(Br)cc1F ZINC000748485020 735649471 /nfs/dbraw/zinc/64/94/71/735649471.db2.gz BXNHESLOBPBBEG-UHFFFAOYSA-N 0 0 367.174 2.549 20 10 FFCDRN CCc1nc(C)c(CC(=O)NCCCSc2nccs2)c(C)n1 ZINC000900681995 735679345 /nfs/dbraw/zinc/67/93/45/735679345.db2.gz DEEHGLJWYWCVAS-UHFFFAOYSA-N 0 0 350.513 2.953 20 10 FFCDRN Cn1ccc2c1cccc2NC(=O)C(=O)NCCCSc1nccs1 ZINC000749731690 735743177 /nfs/dbraw/zinc/74/31/77/735743177.db2.gz YBSMHGQVZUBOTR-UHFFFAOYSA-N 0 0 374.491 2.872 20 10 FFCDRN COc1cc(O)ccc1NS(=O)(=O)CCCOCc1ccccc1 ZINC000901704727 735823412 /nfs/dbraw/zinc/82/34/12/735823412.db2.gz VHFXIKZYIWYEGT-UHFFFAOYSA-N 0 0 351.424 2.749 20 10 FFCDRN O=S(=O)(Cc1ccc(Br)cc1)NCc1ccccc1O ZINC000751148896 735849073 /nfs/dbraw/zinc/84/90/73/735849073.db2.gz APYUFFPBKLFWSX-UHFFFAOYSA-N 0 0 356.241 2.774 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2O)cc1Cl ZINC000751235934 735855978 /nfs/dbraw/zinc/85/59/78/735855978.db2.gz MXKHGJHOPFWQCR-UHFFFAOYSA-N 0 0 369.826 2.653 20 10 FFCDRN CCCOc1ccc(S(=O)(=O)NCc2cc(OC)ccc2O)cc1 ZINC000751419352 735872302 /nfs/dbraw/zinc/87/23/02/735872302.db2.gz TZPAFOCSOGPRFK-UHFFFAOYSA-N 0 0 351.424 2.668 20 10 FFCDRN CSCCNC(=S)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000752747958 736009434 /nfs/dbraw/zinc/00/94/34/736009434.db2.gz VJUIXVUIWRTDRG-CHWSQXEVSA-N 0 0 371.547 2.766 20 10 FFCDRN C[C@@H](NC(=O)N1CCSC[C@@H](C)C1)c1ccc(N2CCOCC2)cc1 ZINC000753107968 736038621 /nfs/dbraw/zinc/03/86/21/736038621.db2.gz OKFVXQXQMIMBKW-JKSUJKDBSA-N 0 0 363.527 2.979 20 10 FFCDRN COC(=O)c1cc(/C=C2\SC(=S)N(CCc3cccnc3)C2=O)c[nH]1 ZINC000753137638 736040277 /nfs/dbraw/zinc/04/02/77/736040277.db2.gz JBSKERXBPUBTTL-ZSOIEALJSA-N 0 0 373.459 2.640 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(CS(=O)(=O)N(C)C)cc1)c1ccc(F)cc1[O-] ZINC000903173157 736048196 /nfs/dbraw/zinc/04/81/96/736048196.db2.gz KBWJVDLKHYZHQW-CYBMUJFWSA-N 0 0 366.458 2.774 20 10 FFCDRN CSc1cc(Br)ccc1C=C1C(=O)N(C)C(=O)N(C)C1=O ZINC000755031769 736228098 /nfs/dbraw/zinc/22/80/98/736228098.db2.gz IRKPMURJXOFHCU-UHFFFAOYSA-N 0 0 369.240 2.605 20 10 FFCDRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C)cc(F)c1F ZINC000755971580 736294359 /nfs/dbraw/zinc/29/43/59/736294359.db2.gz DBYIFZDPXFUPDO-UHFFFAOYSA-N 0 0 357.334 2.566 20 10 FFCDRN C[C@@H](CN1CCOCC1)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756419643 736329555 /nfs/dbraw/zinc/32/95/55/736329555.db2.gz WCNJVKJMVDPRSD-QWRGUYRKSA-N 0 0 361.255 2.665 20 10 FFCDRN CNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000756434376 736330576 /nfs/dbraw/zinc/33/05/76/736330576.db2.gz MFHKPGBYZCEMLJ-NSHDSACASA-N 0 0 350.365 2.646 20 10 FFCDRN C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Br)c(F)cc1[O-] ZINC000756475047 736334380 /nfs/dbraw/zinc/33/43/80/736334380.db2.gz HQHLYSGBWPJGBZ-ZCFIWIBFSA-N 0 0 373.144 2.623 20 10 FFCDRN COCCN1CC[C@@H]([NH2+][C@H](C)c2cc(Br)c(F)cc2[O-])C1 ZINC000756554160 736342100 /nfs/dbraw/zinc/34/21/00/736342100.db2.gz OFAVXPZEDFTQOB-GHMZBOCLSA-N 0 0 361.255 2.665 20 10 FFCDRN CCS(=O)(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756706829 736353723 /nfs/dbraw/zinc/35/37/23/736353723.db2.gz QWMRHYNNFSFONC-BDAKNGLRSA-N 0 0 368.268 2.768 20 10 FFCDRN C[C@H]([NH2+][C@@H](C)[C@@H]1CN(C)CCO1)c1cc(Br)c(F)cc1[O-] ZINC000756760120 736359651 /nfs/dbraw/zinc/35/96/51/736359651.db2.gz OHOLWDRNCKXLQL-YHAQOWFVSA-N 0 0 361.255 2.664 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OC[C@@H](C)CS(C)(=O)=O ZINC000757992814 736443284 /nfs/dbraw/zinc/44/32/84/736443284.db2.gz AKFIDIICMCBUPB-LLVKDONJSA-N 0 0 355.481 2.993 20 10 FFCDRN CCCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(O)cc2F)cc1 ZINC000758168585 736458055 /nfs/dbraw/zinc/45/80/55/736458055.db2.gz CUXYJEGNVJYJRD-UHFFFAOYSA-N 0 0 353.371 2.899 20 10 FFCDRN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000758171288 736458636 /nfs/dbraw/zinc/45/86/36/736458636.db2.gz RJVPLMJKBKVCFG-UHFFFAOYSA-N 0 0 359.762 2.772 20 10 FFCDRN COc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2C(C)=O)cc1OC ZINC000758773952 736519966 /nfs/dbraw/zinc/51/99/66/736519966.db2.gz KFARSZSJIICLHC-UHFFFAOYSA-N 0 0 365.407 2.721 20 10 FFCDRN CSC1(CNC(=O)NCCCSc2nccs2)CCOCC1 ZINC000759583252 736578545 /nfs/dbraw/zinc/57/85/45/736578545.db2.gz JATFTJMZGCVSMD-UHFFFAOYSA-N 0 0 361.558 2.837 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)COc1ccc(Cl)cc1 ZINC000759581335 736578631 /nfs/dbraw/zinc/57/86/31/736578631.db2.gz VFSRXPBGSORFRQ-KRXBUXKQSA-N 0 0 362.765 2.956 20 10 FFCDRN COc1cc(N2CCN(CC(F)(F)C(F)F)CC2)cc(OC)c1OC ZINC000759878196 736601597 /nfs/dbraw/zinc/60/15/97/736601597.db2.gz IKHFEPVBKCNMNU-UHFFFAOYSA-N 0 0 366.355 2.735 20 10 FFCDRN C[C@@H]([C@@H]1CCCOC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000762317042 736813630 /nfs/dbraw/zinc/81/36/30/736813630.db2.gz GZDNYCAESNSHKU-NWDGAFQWSA-N 0 0 352.818 2.625 20 10 FFCDRN CC(C)c1nnc([C@@H](C)NC(=O)NCCCSc2nccs2)[nH]1 ZINC000763027499 736893244 /nfs/dbraw/zinc/89/32/44/736893244.db2.gz DKNPCTYFZGBDEI-SNVBAGLBSA-N 0 0 354.505 2.927 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2cnn(CC(F)(F)F)c2)cc1 ZINC000763284164 736922872 /nfs/dbraw/zinc/92/28/72/736922872.db2.gz ZSTWNEFHWVGZGJ-UHFFFAOYSA-N 0 0 355.364 2.511 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3ccc(Cl)nc3C)CC2)cc1 ZINC000763307042 736925953 /nfs/dbraw/zinc/92/59/53/736925953.db2.gz XLBADNMPBXZRAN-UHFFFAOYSA-N 0 0 359.857 2.943 20 10 FFCDRN COc1ccc(CNC(=O)NCc2cccc(Br)c2O)cn1 ZINC000764759295 737046433 /nfs/dbraw/zinc/04/64/33/737046433.db2.gz XEEVRPPDPSUMFR-UHFFFAOYSA-N 0 0 366.215 2.558 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cnc2c(c1)NC(=O)CS2 ZINC000765493623 737124779 /nfs/dbraw/zinc/12/47/79/737124779.db2.gz XCKWMUTWFXSKOZ-UHFFFAOYSA-N 0 0 357.435 2.884 20 10 FFCDRN COc1ccc(OCC(=O)NCc2cccc(Br)c2O)cc1 ZINC000765746677 737152364 /nfs/dbraw/zinc/15/23/64/737152364.db2.gz ICXHVPBAKSKCNA-UHFFFAOYSA-N 0 0 366.211 2.859 20 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/nfs/dbraw/zinc/51/95/97/737519597.db2.gz XIRNCSJZORCTKO-AWEZNQCLSA-N 0 0 367.833 2.931 20 10 FFCDRN O=C(NCc1ccccc1O)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000769360959 737521503 /nfs/dbraw/zinc/52/15/03/737521503.db2.gz MCROCDNRBONIOS-UHFFFAOYSA-N 0 0 365.838 2.668 20 10 FFCDRN CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769514259 737537879 /nfs/dbraw/zinc/53/78/79/737537879.db2.gz ICPPFISKDPSNQQ-HNNXBMFYSA-N 0 0 371.865 2.887 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000769639688 737548486 /nfs/dbraw/zinc/54/84/86/737548486.db2.gz TXCFBPXSWSFYEC-BFHYXJOUSA-N 0 0 366.483 2.852 20 10 FFCDRN C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)[C@@H]2CCCC[C@H]12 ZINC000769688000 737554037 /nfs/dbraw/zinc/55/40/37/737554037.db2.gz AYBADKZFWAXLKC-XNRPHZJLSA-N 0 0 366.483 2.805 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1csc(Cl)n1 ZINC000769708247 737556234 /nfs/dbraw/zinc/55/62/34/737556234.db2.gz PCYWZURYFMYWMS-UHFFFAOYSA-N 0 0 365.886 2.935 20 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O=C(NCCc1cc(C(F)(F)F)ccn1)NCc1c(O)cccc1F ZINC000922617413 738174601 /nfs/dbraw/zinc/17/46/01/738174601.db2.gz MQKXMXKCOXXHMN-UHFFFAOYSA-N 0 0 357.307 2.987 20 10 FFCDRN CN(Cc1c(F)cccc1Cl)C(=O)COC(=O)c1cccc(O)c1O ZINC000776279635 738177683 /nfs/dbraw/zinc/17/76/83/738177683.db2.gz MHDICWGYJLGXBY-UHFFFAOYSA-N 0 0 367.760 2.706 20 10 FFCDRN O=C(CSC1CC1)NCc1cc(NC(=O)CSC2CC2)ccc1O ZINC000923116942 738242919 /nfs/dbraw/zinc/24/29/19/738242919.db2.gz KLLAXHHTWWZCBK-UHFFFAOYSA-N 0 0 366.508 2.738 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCS1 ZINC000923336378 738272593 /nfs/dbraw/zinc/27/25/93/738272593.db2.gz KGHPCZRZJSITMU-ZBFHGGJFSA-N 0 0 363.527 2.731 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C)ccc1O ZINC000777829556 738323973 /nfs/dbraw/zinc/32/39/73/738323973.db2.gz ZWPOXVOUCVTFSN-UHFFFAOYSA-N 0 0 363.797 2.875 20 10 FFCDRN CCc1ccccc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000777844341 738324689 /nfs/dbraw/zinc/32/46/89/738324689.db2.gz GYGKSLWHUIDEII-UHFFFAOYSA-N 0 0 360.479 2.769 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1cc(Br)c(C(F)(F)F)cc1F ZINC000924046434 738363202 /nfs/dbraw/zinc/36/32/02/738363202.db2.gz LDYJQVDRYVHXRD-UHFFFAOYSA-N 0 0 371.080 2.922 20 10 FFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@@H]1F ZINC000778620359 738399317 /nfs/dbraw/zinc/39/93/17/738399317.db2.gz KUPYOOWLTTUNHG-CJNGLKHVSA-N 0 0 353.413 2.552 20 10 FFCDRN CCS[C@@H]1CCCCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000785422382 738962636 /nfs/dbraw/zinc/96/26/36/738962636.db2.gz KOGPISYVZLXASN-QGZVFWFLSA-N 0 0 363.527 2.503 20 10 FFCDRN COCc1ncsc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000786049865 739019975 /nfs/dbraw/zinc/01/99/75/739019975.db2.gz KBAFVDUNUDUSII-UHFFFAOYSA-N 0 0 361.467 2.697 20 10 FFCDRN Cn1nc(-c2ccsc2)cc1NC(=O)NCCc1ccc(O)c(O)c1 ZINC000786169350 739030917 /nfs/dbraw/zinc/03/09/17/739030917.db2.gz KQYKKBSEKCTGCA-UHFFFAOYSA-N 0 0 358.423 2.924 20 10 FFCDRN CSCCCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000786793888 739077749 /nfs/dbraw/zinc/07/77/49/739077749.db2.gz 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C[C@H](O)COC(=O)CCCN1C(=O)/C(=C/c2cccs2)SC1=S ZINC000791681125 739591627 /nfs/dbraw/zinc/59/16/27/739591627.db2.gz FUKROSPQAVSMPJ-UVIKPUKZSA-N 0 0 371.505 2.654 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](N3CCCC3=O)C2)c1 ZINC000792186817 739648588 /nfs/dbraw/zinc/64/85/88/739648588.db2.gz QXYGIMFOVOMJHE-ZDUSSCGKSA-N 0 0 353.260 2.660 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)cc1 ZINC000792906977 739717118 /nfs/dbraw/zinc/71/71/18/739717118.db2.gz PCQBMLNTUCEZJD-WBVHZDCISA-N 0 0 370.324 2.885 20 10 FFCDRN CN(C)c1ccc(C[NH2+]C2(c3nnn[n-]3)CCCC2)c(C(F)(F)F)c1 ZINC000793044055 739733995 /nfs/dbraw/zinc/73/39/95/739733995.db2.gz SJYUJWBTYWUIEX-UHFFFAOYSA-N 0 0 354.380 2.844 20 10 FFCDRN CC1CCC(C)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000794021704 739841601 /nfs/dbraw/zinc/84/16/01/739841601.db2.gz HBRXMVYYHZPAFY-UHFFFAOYSA-N 0 0 354.472 2.710 20 10 FFCDRN Cc1[nH]c(=O)c(Br)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000794619237 739911161 /nfs/dbraw/zinc/91/11/61/739911161.db2.gz 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Cc1c([N+](=O)[O-])ccc(F)c1NS(=O)(=O)c1cccc2nsnc21 ZINC000800052176 740479220 /nfs/dbraw/zinc/47/92/20/740479220.db2.gz JZYSNJZMCLMKNW-UHFFFAOYSA-N 0 0 368.371 2.848 20 10 FFCDRN O=S(=O)(CC[NH2+]Cc1cc(Cl)cc(F)c1[O-])CCc1ccccc1 ZINC000800543683 740532907 /nfs/dbraw/zinc/53/29/07/740532907.db2.gz ICNCBQAMXNPWBU-UHFFFAOYSA-N 0 0 371.861 2.932 20 10 FFCDRN Cc1ccc(C(=O)NC[C@H](O)c2cccc(Br)c2)c(O)c1O ZINC000800588465 740537085 /nfs/dbraw/zinc/53/70/85/740537085.db2.gz CUUSRFCWWRSVTC-ZDUSSCGKSA-N 0 0 366.211 2.632 20 10 FFCDRN O=[N+]([O-])c1ccc(Cl)c(NS(=O)(=O)c2cccc3nonc32)c1 ZINC000800930782 740568182 /nfs/dbraw/zinc/56/81/82/740568182.db2.gz RSLKYJGSQSGCPC-UHFFFAOYSA-N 0 0 354.731 2.585 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](C(=O)C2CC2)C1 ZINC000801262165 740600611 /nfs/dbraw/zinc/60/06/11/740600611.db2.gz MENFNHWDNYWOKK-MRXNPFEDSA-N 0 0 358.463 2.976 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1c(O)cnc2ccc(Cl)cc21 ZINC000801634193 740638059 /nfs/dbraw/zinc/63/80/59/740638059.db2.gz 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20 10 FFCDRN C[C@H](NC(=O)N1CC[S@@](=O)C(C)(C)CC1)c1ccc(N(C)C)cc1 ZINC000838557833 746665333 /nfs/dbraw/zinc/66/53/33/746665333.db2.gz CIZSGNOPVUWDGH-LFPIHBKWSA-N 0 0 351.516 2.756 20 10 FFCDRN CC1(C)CCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838746815 746705531 /nfs/dbraw/zinc/70/55/31/746705531.db2.gz KNBAMDMZDDVQBJ-UHFFFAOYSA-N 0 0 353.413 2.743 20 10 FFCDRN C[C@@H](C1CC1)N(C)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838747735 746705834 /nfs/dbraw/zinc/70/58/34/746705834.db2.gz XLNXQZOJWWRNLP-LBPRGKRZSA-N 0 0 353.413 2.741 20 10 FFCDRN COC[C@@](C)(CO)[NH2+]Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000838990755 746751411 /nfs/dbraw/zinc/75/14/11/746751411.db2.gz SXBANUNZOZBQKM-QGZVFWFLSA-N 0 0 371.319 2.926 20 10 FFCDRN CO[C@@H]1CN(Cc2ccc(N3CCCCC3)c(Br)c2)C[C@H]1O ZINC000839127389 746782143 /nfs/dbraw/zinc/78/21/43/746782143.db2.gz KBQKPGDYDCPUJV-IAGOWNOFSA-N 0 0 369.303 2.631 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1cscn1 ZINC000839339540 746814707 /nfs/dbraw/zinc/81/47/07/746814707.db2.gz 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ZINC000840896089 747217657 /nfs/dbraw/zinc/21/76/57/747217657.db2.gz DFRMRFMCPJSZKM-SECBINFHSA-N 0 0 372.256 2.520 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1CNC[C@@H]1CCC[NH2+]1 ZINC000841037007 747259255 /nfs/dbraw/zinc/25/92/55/747259255.db2.gz XCIQKZUXEBFFPV-JTQLQIEISA-N 0 0 364.081 2.759 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)Nc1ccc(N)cc1)c1nc(C(F)(F)F)cs1 ZINC000841056359 747261889 /nfs/dbraw/zinc/26/18/89/747261889.db2.gz FUSRWVORHHEMAX-SNVBAGLBSA-N 0 0 372.372 2.950 20 10 FFCDRN C[C@@H](NC(=O)c1nc2c(s1)CCC2)c1ccc(N2CCOCC2)cc1 ZINC000841082045 747265234 /nfs/dbraw/zinc/26/52/34/747265234.db2.gz ZNMGAPCYWVHGCE-CYBMUJFWSA-N 0 0 357.479 2.959 20 10 FFCDRN C[C@H](NS(=O)(=O)c1cn2c(n1)CCC[C@@H]2C)c1ccc(N(C)C)cc1 ZINC000841516716 747379546 /nfs/dbraw/zinc/37/95/46/747379546.db2.gz VAALWKHNFLGGQY-KBPBESRZSA-N 0 0 362.499 2.886 20 10 FFCDRN Nc1ccc(CCNC(=O)NCc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000841707167 747436877 /nfs/dbraw/zinc/43/68/77/747436877.db2.gz OTPYRWAMQOEQSJ-UHFFFAOYSA-N 0 0 361.829 2.735 20 10 FFCDRN CCCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)cc2[O-])CC1 ZINC000841743926 747446946 /nfs/dbraw/zinc/44/69/46/747446946.db2.gz DKEUJLVNJMBJJQ-GFCCVEGCSA-N 0 0 360.907 2.900 20 10 FFCDRN O=C([O-])[C@]1([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CCSC1 ZINC000841801708 747464873 /nfs/dbraw/zinc/46/48/73/747464873.db2.gz XROPXZJUZGLRJL-KRWDZBQOSA-N 0 0 365.455 2.635 20 10 FFCDRN Nc1ccc(CCNC(=O)NC[C@@]2(O)CCC[C@H](C(F)(F)F)C2)cc1 ZINC000841957689 747493002 /nfs/dbraw/zinc/49/30/02/747493002.db2.gz CMSPEKZJYYJEGR-XJKSGUPXSA-N 0 0 359.392 2.594 20 10 FFCDRN CCn1ncc(C(=O)COC(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000842066739 747514258 /nfs/dbraw/zinc/51/42/58/747514258.db2.gz HKJVUCVGPJFFBB-UHFFFAOYSA-N 0 0 358.423 2.807 20 10 FFCDRN COc1cccc(CNc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c1O ZINC000842216827 747549910 /nfs/dbraw/zinc/54/99/10/747549910.db2.gz NVXQCUXXKPUXPD-UHFFFAOYSA-N 0 0 366.414 2.593 20 10 FFCDRN CO[C@@H]([C@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)C1CC1 ZINC000842258260 747558720 /nfs/dbraw/zinc/55/87/20/747558720.db2.gz QJOGKGXIFKULLC-QFYYESIMSA-N 0 0 352.818 2.623 20 10 FFCDRN CC[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)c1ccc(F)cc1[O-] ZINC000842882436 747713195 /nfs/dbraw/zinc/71/31/95/747713195.db2.gz ABXOCJCCTZGXIV-ZFWWWQNUSA-N 0 0 365.426 2.807 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c1O ZINC000843039198 747753933 /nfs/dbraw/zinc/75/39/33/747753933.db2.gz BOSBYUZUKRSTOP-SKDRFNHKSA-N 0 0 358.232 2.706 20 10 FFCDRN C[C@H](CNC(=O)c1csc(Cc2ccc(N)cc2)n1)Cn1ccnc1 ZINC000844175531 747983867 /nfs/dbraw/zinc/98/38/67/747983867.db2.gz JCOQDOACVLRLAV-CYBMUJFWSA-N 0 0 355.467 2.579 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)C[C@H]3CCCO3)cc2F)C[C@H](C)O1 ZINC000844342149 748008683 /nfs/dbraw/zinc/00/86/83/748008683.db2.gz ZENIBQWJSJDQCH-OFQRWUPVSA-N 0 0 350.434 2.625 20 10 FFCDRN COc1ccc(N(C)CCN(C)CCS(=O)(=O)c2ccccc2)cc1 ZINC000844398778 748021001 /nfs/dbraw/zinc/02/10/01/748021001.db2.gz CCOBRDIXIBKXJC-UHFFFAOYSA-N 0 0 362.495 2.537 20 10 FFCDRN C[C@H](COCC1CC1)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000844742026 748088552 /nfs/dbraw/zinc/08/85/52/748088552.db2.gz MRTYMWMHGATMMK-LLVKDONJSA-N 0 0 352.818 2.625 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cnn(C)c2C(F)F)cc1 ZINC000844854116 748117098 /nfs/dbraw/zinc/11/70/98/748117098.db2.gz OTVHXEVAWIDUQW-UHFFFAOYSA-N 0 0 352.385 2.575 20 10 FFCDRN COCCC(C)(C)CNC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000845111715 748183082 /nfs/dbraw/zinc/18/30/82/748183082.db2.gz NVKANVYIBWFWJT-UHFFFAOYSA-N 0 0 351.491 2.836 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cccc3c2OCCC3)c1 ZINC000845871080 748340062 /nfs/dbraw/zinc/34/00/62/748340062.db2.gz RCFCOVFKSSUGLL-LBPRGKRZSA-N 0 0 363.435 2.765 20 10 FFCDRN CO[C@H](CS(=O)(=O)NCc1cc(Cl)ccc1O)c1ccccc1 ZINC000845997280 748378800 /nfs/dbraw/zinc/37/88/00/748378800.db2.gz ZUNMBYGZSPLFTM-MRXNPFEDSA-N 0 0 355.843 2.853 20 10 FFCDRN C[C@@H]([NH2+]CC[C@]1(O)CCCOC1)c1cc(Br)c(F)cc1[O-] ZINC000846214289 748431856 /nfs/dbraw/zinc/43/18/56/748431856.db2.gz UYFVVTLVBXHBDO-MEBBXXQBSA-N 0 0 362.239 2.876 20 10 FFCDRN CN(CCCN1C(=O)NC(C)(C)C1=O)c1ccc(-c2nccs2)cc1 ZINC000846991317 748593697 /nfs/dbraw/zinc/59/36/97/748593697.db2.gz JHIJPQZFJCPZRW-UHFFFAOYSA-N 0 0 358.467 2.967 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](C[C@H]2CCCO2)C(F)(F)F)c(O)c1 ZINC000847246438 748659772 /nfs/dbraw/zinc/65/97/72/748659772.db2.gz SZNQFAYTBWGWDJ-OCCSQVGLSA-N 0 0 362.348 2.700 20 10 FFCDRN Cc1noc([C@@H](C)N(C)C(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000848436058 748925466 /nfs/dbraw/zinc/92/54/66/748925466.db2.gz DWCMMQSPCKXRON-SNVBAGLBSA-N 0 0 357.439 2.841 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)CCc2ccc(F)cc2)cc1F ZINC000849372638 749117189 /nfs/dbraw/zinc/11/71/89/749117189.db2.gz SJYKUTDPAYZLOX-UHFFFAOYSA-N 0 0 354.422 2.693 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)CCc3ccccc3F)ccc21 ZINC000849373044 749117715 /nfs/dbraw/zinc/11/77/15/749117715.db2.gz YOYMHZNWHWSVQJ-UHFFFAOYSA-N 0 0 362.470 2.870 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccccc3Cl)C2)cc1 ZINC000849416364 749142882 /nfs/dbraw/zinc/14/28/82/749142882.db2.gz PYCJUPCKUCFYAX-ZDUSSCGKSA-N 0 0 366.870 2.906 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3cccc(F)c3C)C2)cc1 ZINC000849416574 749143521 /nfs/dbraw/zinc/14/35/21/749143521.db2.gz SKAXZJNYZWRCOW-AWEZNQCLSA-N 0 0 364.442 2.700 20 10 FFCDRN COC(=O)Cc1csc(NC(=O)CSc2ncc(Cl)s2)n1 ZINC000849999232 749279968 /nfs/dbraw/zinc/27/99/68/749279968.db2.gz XBSXRJAXJCERAW-UHFFFAOYSA-N 0 0 363.873 2.699 20 10 FFCDRN CC(C)[C@H](Sc1ncc(Cl)s1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000849999109 749280254 /nfs/dbraw/zinc/28/02/54/749280254.db2.gz NZAYTDQHUVCQOP-KOLCDFICSA-N 0 0 361.920 2.637 20 10 FFCDRN CC(C)(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@]1(O)CCCOC1 ZINC000850400722 749360189 /nfs/dbraw/zinc/36/01/89/749360189.db2.gz MPGOINSOUDGOGE-INIZCTEOSA-N 0 0 358.822 2.611 20 10 FFCDRN COC[C@H](CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])OC ZINC000850485977 749372107 /nfs/dbraw/zinc/37/21/07/749372107.db2.gz PGNHXFKXWHXIBG-ONGXEEELSA-N 0 0 350.228 2.996 20 10 FFCDRN COC[C@@H](CC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-])OC ZINC000850485974 749372285 /nfs/dbraw/zinc/37/22/85/749372285.db2.gz PGNHXFKXWHXIBG-GXSJLCMTSA-N 0 0 350.228 2.996 20 10 FFCDRN C[C@@H]([NH2+]C[C@@]1(OCCO)CCOC1)c1cc(Cl)c(Cl)cc1[O-] ZINC000850506563 749377255 /nfs/dbraw/zinc/37/72/55/749377255.db2.gz FVBBRYHYRDANHL-BMIGLBTASA-N 0 0 350.242 2.518 20 10 FFCDRN C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000850506468 749377587 /nfs/dbraw/zinc/37/75/87/749377587.db2.gz DJEAQPJZYXTSNR-ZUZCIYMTSA-N 0 0 350.242 2.518 20 10 FFCDRN C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850532539 749382934 /nfs/dbraw/zinc/38/29/34/749382934.db2.gz VMSSHLRTEYBBDC-LBPRGKRZSA-N 0 0 356.444 2.699 20 10 FFCDRN O=C(NCCC1SCCS1)NCc1ccc(N2CCOCC2)cc1 ZINC000852004673 749748692 /nfs/dbraw/zinc/74/86/92/749748692.db2.gz JIXHBRAHVKKSTJ-UHFFFAOYSA-N 0 0 367.540 2.519 20 10 FFCDRN CC1(C)CC(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000852379624 749849215 /nfs/dbraw/zinc/84/92/15/749849215.db2.gz VKPNXFPZSZGLKM-UHFFFAOYSA-N 0 0 353.413 2.789 20 10 FFCDRN Cc1ccncc1CCNC(=O)NCc1cccc(Br)c1O ZINC000852495926 749877194 /nfs/dbraw/zinc/87/71/94/749877194.db2.gz LZNIXHDOHKCGRH-UHFFFAOYSA-N 0 0 364.243 2.900 20 10 FFCDRN COc1cc(Br)cc(C[NH2+]C[C@@H](C(=O)[O-])C2CCC2)c1O ZINC000854247902 750268492 /nfs/dbraw/zinc/26/84/92/750268492.db2.gz KBUOBRHJSQLOHJ-GFCCVEGCSA-N 0 0 358.232 2.754 20 10 FFCDRN COC[C@H](CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)OC ZINC000854291700 750276448 /nfs/dbraw/zinc/27/64/48/750276448.db2.gz JUQGXGKQIKNLQF-SFHVURJKSA-N 0 0 351.491 2.724 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC(CC(F)(F)F)C3)C2)cc1 ZINC000854299896 750277002 /nfs/dbraw/zinc/27/70/02/750277002.db2.gz LTSGOWVQOSNKLX-ZDUSSCGKSA-N 0 0 357.376 2.868 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)s1 ZINC000854906526 750388562 /nfs/dbraw/zinc/38/85/62/750388562.db2.gz UMEHWEVDCNIVIW-UHFFFAOYSA-N 0 0 356.369 2.932 20 10 FFCDRN Cc1ccoc1CC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000854906815 750388922 /nfs/dbraw/zinc/38/89/22/750388922.db2.gz XSSHHNVNAOKLGX-UHFFFAOYSA-N 0 0 350.365 2.562 20 10 FFCDRN O=C(C1CC1)N1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000048797086 845179175 /nfs/dbraw/zinc/17/91/75/845179175.db2.gz UPXORVIFFGRVFL-UHFFFAOYSA-N 0 0 353.260 2.645 20 10 FFCDRN Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000055109611 845323042 /nfs/dbraw/zinc/32/30/42/845323042.db2.gz SRNBZFILNPXYGV-CYBMUJFWSA-N 0 0 362.451 2.872 20 10 FFCDRN Cc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1F ZINC000055679099 845338567 /nfs/dbraw/zinc/33/85/67/845338567.db2.gz WMGAUTLJUZPCMB-UHFFFAOYSA-N 0 0 350.415 2.772 20 10 FFCDRN Cc1nn(C)c(Cl)c1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000058448998 845396801 /nfs/dbraw/zinc/39/68/01/845396801.db2.gz CGMCUCUGBYZJBN-UHFFFAOYSA-N 0 0 364.902 2.865 20 10 FFCDRN C=CCN1C(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCCO3)SC1=S ZINC000147580470 845664912 /nfs/dbraw/zinc/66/49/12/845664912.db2.gz MJHZSYSJYJOKIX-QPEQYQDCSA-N 0 0 364.404 2.753 20 10 FFCDRN 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/nfs/dbraw/zinc/97/88/20/1022978820.db2.gz SESRCENTQLLNJK-GFCCVEGCSA-N 0 0 373.478 2.920 20 10 FFCDRN CCN1CCCN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)CC1=O ZINC000188068655 1023003656 /nfs/dbraw/zinc/00/36/56/1023003656.db2.gz ACMNIBRWQOKNBN-UHFFFAOYSA-N 0 0 369.465 2.797 20 10 FFCDRN COc1ccc(N(C)CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)c(OC)c1 ZINC000752123025 1023072287 /nfs/dbraw/zinc/07/22/87/1023072287.db2.gz PAUWILZVLADKEN-HIFRSBDPSA-N 0 0 363.458 2.545 20 10 FFCDRN COC(=O)[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)C1CC1 ZINC000752428805 1023141265 /nfs/dbraw/zinc/14/12/65/1023141265.db2.gz LMTQDTXDZFTXFK-GOSISDBHSA-N 0 0 356.422 2.784 20 10 FFCDRN OC1CCN(c2ccc(CNc3ncnc4ccncc43)cc2F)CC1 ZINC000752630753 1023177701 /nfs/dbraw/zinc/17/77/01/1023177701.db2.gz AGGIFNSUUJROLD-UHFFFAOYSA-N 0 0 353.401 2.737 20 10 FFCDRN CCN(CC)S(=O)(=O)c1ccc(NCc2c(O)cccc2F)nc1 ZINC001119974737 1023189368 /nfs/dbraw/zinc/18/93/68/1023189368.db2.gz JYAQQZKPCRGAGQ-UHFFFAOYSA-N 0 0 353.419 2.569 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCc3cc(OC)ccc3C2)c1 ZINC000753188288 1023284091 /nfs/dbraw/zinc/28/40/91/1023284091.db2.gz HJZXYAJWBVCHHF-INIZCTEOSA-N 0 0 356.422 2.766 20 10 FFCDRN CO[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)C1(C)C ZINC000753346328 1023310678 /nfs/dbraw/zinc/31/06/78/1023310678.db2.gz WNRYGZWTIQLXIA-ZTFGCOKTSA-N 0 0 361.486 2.697 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](CC(=O)OC)C3CC3)ccc21 ZINC000753777314 1023379153 /nfs/dbraw/zinc/37/91/53/1023379153.db2.gz WOWOHEUZULRUSV-GOSISDBHSA-N 0 0 372.465 2.976 20 10 FFCDRN Cc1ccc(CNC(=O)NCc2ccccc2O)c(N2CCOCC2)c1 ZINC000753922925 1023398878 /nfs/dbraw/zinc/39/88/78/1023398878.db2.gz AVSYHBCGQAWYJW-UHFFFAOYSA-N 0 0 355.438 2.537 20 10 FFCDRN COc1ccc(N2CCN(CN3CC4(CCCC4)CC3=O)CC2)cc1F ZINC000754011809 1023414410 /nfs/dbraw/zinc/41/44/10/1023414410.db2.gz IEWLYLKJKZVJQQ-UHFFFAOYSA-N 0 0 361.461 2.707 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCC(c3ncc4n3CCCC4)CC2)cc1 ZINC001120677398 1023417831 /nfs/dbraw/zinc/41/78/31/1023417831.db2.gz PVXJHALKMMLABZ-UHFFFAOYSA-N 0 0 353.470 2.891 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3[nH]nc(C(F)(F)F)c3C)CC2)cc1 ZINC001120698409 1023429266 /nfs/dbraw/zinc/42/92/66/1023429266.db2.gz JSBNMLFSRNLOHS-UHFFFAOYSA-N 0 0 368.359 2.708 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NC3COC(C)(C)OC3)c2C)cc1 ZINC000754647080 1023498612 /nfs/dbraw/zinc/49/86/12/1023498612.db2.gz BDDPPVXFJWYISQ-UHFFFAOYSA-N 0 0 358.438 2.984 20 10 FFCDRN Cc1cc(C(=O)CN2C[C@H](C(N)=O)CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000754667710 1023501780 /nfs/dbraw/zinc/50/17/80/1023501780.db2.gz HRMLZZVJFQBXIJ-WMLDXEAASA-N 0 0 353.466 2.863 20 10 FFCDRN COc1cccc(C(=O)N2CCN(Cc3cc(C)cc(OC)c3O)CC2)c1 ZINC000754724269 1023508086 /nfs/dbraw/zinc/50/80/86/1023508086.db2.gz SQKVFKCLGYUOGS-UHFFFAOYSA-N 0 0 370.449 2.676 20 10 FFCDRN COc1cc(O[C@H]2CC[C@H](C)[NH2+]C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001218397752 1033138523 /nfs/dbraw/zinc/13/85/23/1033138523.db2.gz IQHYWLKSXPCOTI-QWRGUYRKSA-N 0 0 371.389 2.885 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](c4ccccc4)CC3)cc2N1 ZINC001121000532 1023563023 /nfs/dbraw/zinc/56/30/23/1023563023.db2.gz SBRRLXZIPHQKGG-KRWDZBQOSA-N 0 0 369.377 2.894 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)C3CCC(NC(C)=O)CC3)C2)cc1 ZINC001122981331 1023581779 /nfs/dbraw/zinc/58/17/79/1023581779.db2.gz PSIJAEFVQSJWFO-AOCRQIFASA-N 0 0 374.481 2.760 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](O)C[C@H](O)C2)c(C)n1-c1cccc(C(C)C)c1 ZINC000755436714 1023599904 /nfs/dbraw/zinc/59/99/04/1023599904.db2.gz SCAQMVKKLOXCEK-KDURUIRLSA-N 0 0 356.466 2.785 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3n[nH]c4c3CCCCC4)CC2)cc1F ZINC000190606992 1023667689 /nfs/dbraw/zinc/66/76/89/1023667689.db2.gz JRKSACYCLXUSSI-UHFFFAOYSA-N 0 0 372.444 2.789 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cccnc2-n2cccn2)c1 ZINC000756390827 1023703843 /nfs/dbraw/zinc/70/38/43/1023703843.db2.gz AJUPQBDKUZMSBQ-CYBMUJFWSA-N 0 0 352.394 2.610 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)COc2c(C)cccc2C)c1 ZINC000756461981 1023714229 /nfs/dbraw/zinc/71/42/29/1023714229.db2.gz XATZSYZVHDABMW-RDJZCZTQSA-N 0 0 373.449 2.886 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2nn(CC)cc2[N+](=O)[O-])cc1 ZINC000756622150 1023736148 /nfs/dbraw/zinc/73/61/48/1023736148.db2.gz MJYGOTYCKUYHNZ-UHFFFAOYSA-N 0 0 359.430 2.930 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756659926 1023741158 /nfs/dbraw/zinc/74/11/58/1023741158.db2.gz QTNCIEPDBNIRDU-CZUORRHYSA-N 0 0 360.454 2.621 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000756734249 1023751212 /nfs/dbraw/zinc/75/12/12/1023751212.db2.gz VHCOOOBPBOOWMX-KDOFPFPSSA-N 0 0 368.433 2.943 20 10 FFCDRN COc1cc(OC)cc(N(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000191276486 1023789452 /nfs/dbraw/zinc/78/94/52/1023789452.db2.gz QTVBRCLVENVQLI-UHFFFAOYSA-N 0 0 371.481 2.865 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1C[C@@H]2CCCC[C@H]2C1 ZINC000078311745 1023791294 /nfs/dbraw/zinc/79/12/94/1023791294.db2.gz 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CCOC(=O)COc1cccc(NC(=O)/C=C/c2ccc(O)c(O)c2)c1 ZINC000779476489 1023922842 /nfs/dbraw/zinc/92/28/42/1023922842.db2.gz SBQVAFFNKBTQHM-VQHVLOKHSA-N 0 0 357.362 2.692 20 10 FFCDRN Cc1nn(C)c(Oc2cccnc2)c1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779482037 1023935315 /nfs/dbraw/zinc/93/53/15/1023935315.db2.gz BJGMWYRYPNVTAA-SOFGYWHQSA-N 0 0 366.377 2.979 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCCNc1ccc(C(F)(F)F)cn1 ZINC000779501622 1023943939 /nfs/dbraw/zinc/94/39/39/1023943939.db2.gz WGBNYDVYAQTDNS-KXFIGUGUSA-N 0 0 367.327 2.753 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CCN(c2cccc(O)c2)CC1 ZINC001121764513 1023989326 /nfs/dbraw/zinc/98/93/26/1023989326.db2.gz QJTDFWYEQSFTHS-UHFFFAOYSA-N 0 0 371.466 2.764 20 10 FFCDRN Oc1cc2c(cc1CN1CCO[C@@H](CCc3ccccc3)C1)[C@H](O)CO2 ZINC000758257801 1023998060 /nfs/dbraw/zinc/99/80/60/1023998060.db2.gz GYUYYHBOOIKTTN-FXAWDEMLSA-N 0 0 355.434 2.652 20 10 FFCDRN COc1cccc(CNC(=O)c2cccc(C(=O)N3CCCCC3)c2)c1O ZINC001123770170 1024009856 /nfs/dbraw/zinc/00/98/56/1024009856.db2.gz RHIWDCSLAXKXCH-UHFFFAOYSA-N 0 0 368.433 2.957 20 10 FFCDRN O=C1NCN(c2ccc(F)cc2)C12CC[NH+](Cc1c([O-])cccc1F)CC2 ZINC001137839554 1033182713 /nfs/dbraw/zinc/18/27/13/1033182713.db2.gz COZJCUBRXXCYBR-UHFFFAOYSA-N 0 0 373.403 2.599 20 10 FFCDRN Cc1cc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000779555460 1024095267 /nfs/dbraw/zinc/09/52/67/1024095267.db2.gz SBGOZSHTNXUSDZ-HZPDHXFCSA-N 0 0 373.472 2.760 20 10 FFCDRN CCn1c([C@@H]2C[C@H]2C)nnc1N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC001121845455 1024099008 /nfs/dbraw/zinc/09/90/08/1024099008.db2.gz PTXPUYAZUROAIV-UKRRQHHQSA-N 0 0 359.449 2.896 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CNC(=O)c2cc3ccccc3[nH]2)cc1 ZINC000079388288 1024256141 /nfs/dbraw/zinc/25/61/41/1024256141.db2.gz NZVJCERTSYHBGC-UHFFFAOYSA-N 0 0 364.449 2.622 20 10 FFCDRN O=C(N[C@H]1CCc2c[nH]nc2C1)N(Cc1ccco1)Cc1ccccc1O ZINC000758905626 1024360935 /nfs/dbraw/zinc/36/09/35/1024360935.db2.gz IEBATWIWKZXHDF-INIZCTEOSA-N 0 0 366.421 2.978 20 10 FFCDRN CC[C@H](NC(=O)c1cccc(O)c1O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000193134232 1024397252 /nfs/dbraw/zinc/39/72/52/1024397252.db2.gz NVEARVBJHQGJQT-HKUYNNGSSA-N 0 0 370.449 2.507 20 10 FFCDRN CCc1cc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(C)nn1 ZINC000759017662 1024427735 /nfs/dbraw/zinc/42/77/35/1024427735.db2.gz OVVOKKRFNKWTBO-AWEZNQCLSA-N 0 0 354.454 2.675 20 10 FFCDRN CCOC(=O)c1ccc(NC(=S)NNc2cccc(C(=O)OC)c2)cc1 ZINC000779727443 1024504947 /nfs/dbraw/zinc/50/49/47/1024504947.db2.gz MNYZUVGESCZWMO-UHFFFAOYSA-N 0 0 373.434 2.963 20 10 FFCDRN CCO[C@@H]1C[C@H](NC(=O)NCc2ccc(N(C)C)cc2C)[C@@]12CCCO2 ZINC000759318817 1024559822 /nfs/dbraw/zinc/55/98/22/1024559822.db2.gz KSSSLWDYELIGKW-NSHGMRRFSA-N 0 0 361.486 2.587 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc2nccnc2c1 ZINC000759371555 1024583974 /nfs/dbraw/zinc/58/39/74/1024583974.db2.gz ZBINBQOMGLBMPG-UHFFFAOYSA-N 0 0 365.462 2.508 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COC(=O)C[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000759400822 1024594628 /nfs/dbraw/zinc/59/46/28/1024594628.db2.gz BFNVIDIDNDNBSB-IRXDYDNUSA-N 0 0 374.481 2.713 20 10 FFCDRN CCOC(=O)c1cc(NC(=O)NCc2ccc(N(C)C)c(F)c2)cn1C ZINC000759497387 1024635293 /nfs/dbraw/zinc/63/52/93/1024635293.db2.gz AXRDFPDYNKSFON-UHFFFAOYSA-N 0 0 362.405 2.729 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@@H]1Cc2ccccc21 ZINC000193755837 1024656476 /nfs/dbraw/zinc/65/64/76/1024656476.db2.gz OOHAEIQQMUFWLL-KRWDZBQOSA-N 0 0 369.440 2.801 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CCCN(c2ccccc2F)C1=O ZINC000759588158 1024675675 /nfs/dbraw/zinc/67/56/75/1024675675.db2.gz JHDYDSVNIKFGBE-LNENJAERSA-N 0 0 371.364 2.989 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1CCCN(c2cccc(F)c2)C1=O ZINC000759596945 1024679432 /nfs/dbraw/zinc/67/94/32/1024679432.db2.gz XBDKTCCGCIFUJS-KOEDOTQGSA-N 0 0 371.364 2.989 20 10 FFCDRN CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)C=Cc1ccc(O)c(O)c1 ZINC000759594993 1024679740 /nfs/dbraw/zinc/67/97/40/1024679740.db2.gz OZRJXWZLVQVCPD-FROQITRMSA-N 0 0 369.373 2.884 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000759597461 1024681272 /nfs/dbraw/zinc/68/12/72/1024681272.db2.gz ZQHAFUUXIQADAS-QXLXQBSBSA-N 0 0 367.401 2.848 20 10 FFCDRN COc1ccc(N2CCN([C@H](C(=O)N(C)C)c3ccccc3)CC2)cc1F ZINC000084866891 1025152582 /nfs/dbraw/zinc/15/25/82/1025152582.db2.gz IEGPELXURLFIDU-FQEVSTJZSA-N 0 0 371.456 2.786 20 10 FFCDRN Cc1noc(C)c1CCCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000084868480 1025152585 /nfs/dbraw/zinc/15/25/85/1025152585.db2.gz JRTUSDUVJVSNMK-UHFFFAOYSA-N 0 0 372.469 2.560 20 10 FFCDRN Cc1cc(CC(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c(C)n1-c1ccccc1 ZINC000829689010 1033285113 /nfs/dbraw/zinc/28/51/13/1033285113.db2.gz GNIJOZSJVFZIQS-OALUTQOASA-N 0 0 353.466 2.797 20 10 FFCDRN Cc1nccc(COC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)n1 ZINC000795341397 1025598231 /nfs/dbraw/zinc/59/82/31/1025598231.db2.gz FHHNBXNPFJJUOY-UHFFFAOYSA-N 0 0 358.353 2.917 20 10 FFCDRN CCO[C@H]1C[C@@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccc(F)cn2)c1C ZINC000837445321 1025811880 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CCOC(=O)[C@H]1CCN(C(=O)/C=C/c2cnc(OC)nc2)c2ccccc21 ZINC000782752795 1029808783 /nfs/dbraw/zinc/80/87/83/1029808783.db2.gz UDXVHJNGQPETOU-FDMDGMSGSA-N 0 0 367.405 2.582 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000840940626 1029936108 /nfs/dbraw/zinc/93/61/08/1029936108.db2.gz ICHXDBOXRPIFQI-UHFFFAOYSA-N 0 0 365.485 2.846 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)NCc2ccnc(OC3CCCCC3)c2)cc1 ZINC000841027301 1029988516 /nfs/dbraw/zinc/98/85/16/1029988516.db2.gz NNCJQABCGCQNPF-UHFFFAOYSA-N 0 0 368.437 2.630 20 10 FFCDRN CC(C)(C)c1ccccc1OCCNC(=O)C(=O)Nc1ccc(N)cc1 ZINC000841034875 1029991448 /nfs/dbraw/zinc/99/14/48/1029991448.db2.gz XVFRLZYRLQIAAZ-UHFFFAOYSA-N 0 0 355.438 2.700 20 10 FFCDRN COc1ccccc1CC1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1 ZINC000841031201 1029991614 /nfs/dbraw/zinc/99/16/14/1029991614.db2.gz YPZIBQYYLADRNF-UHFFFAOYSA-N 0 0 367.449 2.697 20 10 FFCDRN Nc1ccc(CCNC(=O)Nc2ccc(CN3CCCC3=O)cc2)cc1 ZINC000841050562 1030003865 /nfs/dbraw/zinc/00/38/65/1030003865.db2.gz 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Cc1cc(C)nc(N2CCN(Cc3c(O)ccc(F)c3Cl)CC2)n1 ZINC001237125461 1038450642 /nfs/dbraw/zinc/45/06/42/1038450642.db2.gz RKPUUYVGHWJFIU-UHFFFAOYSA-N 0 0 350.825 2.914 20 10 FFCDRN CC(C)=CCN1CC[C@]2(CCC[N@@H+]2Cc2ccc(C(=O)[O-])cc2O)C1=O ZINC001276606092 1038623506 /nfs/dbraw/zinc/62/35/06/1038623506.db2.gz VGUDBYNEISGBBM-HXUWFJFHSA-N 0 0 358.438 2.624 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3cccc(C)c3)CC2)c(C)c1 ZINC001256916938 1038656212 /nfs/dbraw/zinc/65/62/12/1038656212.db2.gz BAICUUSWAARUPI-UHFFFAOYSA-N 0 0 360.479 2.823 20 10 FFCDRN CS(=O)(=O)N1CCC[C@H]1c1nnc(-c2ccc(-n3cccc3)cc2)o1 ZINC001256961777 1038663277 /nfs/dbraw/zinc/66/32/77/1038663277.db2.gz VQMLYBPCIUCVQK-HNNXBMFYSA-N 0 0 358.423 2.624 20 10 FFCDRN CC(C)=CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2Cc1cc(C(=O)[O-])ccc1O ZINC001276649403 1038949810 /nfs/dbraw/zinc/94/98/10/1038949810.db2.gz NHSWJRNUSKYZHE-IAGOWNOFSA-N 0 0 358.438 2.622 20 10 FFCDRN O=S(=O)(NCC[NH+]1CCCCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251429518 1039127042 /nfs/dbraw/zinc/12/70/42/1039127042.db2.gz SJAKYELAIATLKV-UHFFFAOYSA-N 0 0 367.298 2.853 20 10 FFCDRN C[C@@H](CC(=O)OC(C)(C)C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC001251733914 1039276931 /nfs/dbraw/zinc/27/69/31/1039276931.db2.gz BWCSBZLFZKXYNJ-LBPRGKRZSA-N 0 0 353.438 2.811 20 10 FFCDRN O=c1oc2cc([O-])c(O)cc2cc1-c1nnc(Cc2ccc(F)cc2)o1 ZINC001251890207 1039339954 /nfs/dbraw/zinc/33/99/54/1039339954.db2.gz RJYKMHFLSZRLAK-UHFFFAOYSA-N 0 0 354.293 2.984 20 10 FFCDRN CCCCOC[C@@H](O)CNc1cc2c(cc1O)C(=O)c1ccccc1C2=O ZINC001252520807 1039579082 /nfs/dbraw/zinc/57/90/82/1039579082.db2.gz PTEPLVCRODJORL-ZDUSSCGKSA-N 0 0 369.417 2.757 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3CC[C@H](C4CC4)O3)C2)cc1 ZINC001252921958 1039796944 /nfs/dbraw/zinc/79/69/44/1039796944.db2.gz CTYTZJJBERZEMN-ZYSHUDEJSA-N 0 0 359.470 2.531 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC(C)(C)[C@@H]3CCCCO3)C2)cc1 ZINC001252924362 1039800340 /nfs/dbraw/zinc/80/03/40/1039800340.db2.gz QNEAMDJUSGFUNQ-YJBOKZPZSA-N 0 0 361.486 2.921 20 10 FFCDRN CS(=O)(=O)c1cccc(-c2noc(/C=C/c3ccc(O)c(O)c3)n2)c1 ZINC001247978740 1040087793 /nfs/dbraw/zinc/08/77/93/1040087793.db2.gz SGJWTKMAUGAHMP-SOFGYWHQSA-N 0 0 358.375 2.722 20 10 FFCDRN Cc1cc(CNC(=O)NCc2nc(N(C)C)no2)c(C)n1-c1ccccc1 ZINC001248643523 1040349749 /nfs/dbraw/zinc/34/97/49/1040349749.db2.gz XYOSSYYJBLHWBI-UHFFFAOYSA-N 0 0 368.441 2.543 20 10 FFCDRN CCOC(=O)C[C@H](O)CNc1ccc(Cl)cc1C(=O)c1ccccn1 ZINC001253803535 1040376390 /nfs/dbraw/zinc/37/63/90/1040376390.db2.gz SPYMJDHGYJDTOH-ZDUSSCGKSA-N 0 0 362.813 2.692 20 10 FFCDRN Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2O)cc([N+](=O)[O-])c1F ZINC001213415407 1040530155 /nfs/dbraw/zinc/53/01/55/1040530155.db2.gz RXLKZUCMSQOXMC-SNVBAGLBSA-N 0 0 354.359 2.787 20 10 FFCDRN CCc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1[N+](=O)[O-] ZINC001213415064 1040531619 /nfs/dbraw/zinc/53/16/19/1040531619.db2.gz JBMAZYFBJHGZHD-LLVKDONJSA-N 0 0 350.396 2.902 20 10 FFCDRN COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1ccc2c(c1O)C=CC(C)(C)O2 ZINC001249252235 1040654022 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Nc1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1 ZINC001262603495 1041748484 /nfs/dbraw/zinc/74/84/84/1041748484.db2.gz KPWLKIRARVNTHV-AQNXPRMDSA-N 0 0 351.450 2.983 20 10 FFCDRN CC(C)c1ccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)cn1 ZINC001262683676 1041792284 /nfs/dbraw/zinc/79/22/84/1041792284.db2.gz RTHVZKQNJFMIJD-UHFFFAOYSA-N 0 0 366.465 2.842 20 10 FFCDRN CN(c1cc(C(F)(F)F)ccc1CO)S(=O)(=O)Cc1ccc(N)cc1 ZINC001215683418 1041858612 /nfs/dbraw/zinc/85/86/12/1041858612.db2.gz GEHVFJXJWULMRB-UHFFFAOYSA-N 0 0 374.384 2.746 20 10 FFCDRN CCOCCN1C[C@@]2(CC1=O)CCCCN2c1ccc(OC)c(F)c1 ZINC001278075290 1043083352 /nfs/dbraw/zinc/08/33/52/1043083352.db2.gz MNQZPSYUHLWZNJ-IBGZPJMESA-N 0 0 350.434 2.832 20 10 FFCDRN Cc1cc(O)c(CN2CC3(CN(Cc4cccc(=O)[nH]4)C3)C2)cc1Cl ZINC001279433378 1043107451 /nfs/dbraw/zinc/10/74/51/1043107451.db2.gz SDSZCRLBLMUCOZ-UHFFFAOYSA-N 0 0 359.857 2.772 20 10 FFCDRN O=C(Nc1cccnc1)N1CCC12CN(Cc1c(O)ccc(F)c1F)C2 ZINC001279488530 1043173159 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Oc1c(I)cccc1CN1CCc2cccnc2C1 ZINC001237784081 1043355891 /nfs/dbraw/zinc/35/58/91/1043355891.db2.gz RVFXJYLETBENDX-UHFFFAOYSA-N 0 0 366.202 2.950 20 10 FFCDRN COc1ccc(N2CCN(Cc3cc(F)cc(Cl)c3[O-])CC2)nc1 ZINC001237802070 1043365818 /nfs/dbraw/zinc/36/58/18/1043365818.db2.gz KRQKAFYAFDSTOF-UHFFFAOYSA-N 0 0 351.809 2.911 20 10 FFCDRN COCCN1C(=O)CCC12CC[NH+](Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237937125 1043444720 /nfs/dbraw/zinc/44/47/20/1043444720.db2.gz NVJVJRDCYAETMC-UHFFFAOYSA-N 0 0 370.852 2.788 20 10 FFCDRN COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1cc(F)cc(C)c1O ZINC001238066737 1043513290 /nfs/dbraw/zinc/51/32/90/1043513290.db2.gz OZOKDRYUFJKGEV-PKOBYXMFSA-N 0 0 359.397 2.955 20 10 FFCDRN COc1ccc(N2C[C@@H]3[C@H](C2)OCCN3Cc2scnc2C)c(C)c1 ZINC001279769451 1043613680 /nfs/dbraw/zinc/61/36/80/1043613680.db2.gz WVPRLSAAAZFOFO-MSOLQXFVSA-N 0 0 359.495 2.858 20 10 FFCDRN C[C@@H](NC(=O)c1cc(C(=O)OC(C)(C)C)nn1C)c1ccc(N(C)C)cc1 ZINC001538977695 1070528156 /nfs/dbraw/zinc/52/81/56/1070528156.db2.gz 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CN(C(=O)C12CC([NH2+]Cc3c([O-])cccc3F)(C1)C2)C1CC(F)(F)C1 ZINC001280009459 1044084930 /nfs/dbraw/zinc/08/49/30/1044084930.db2.gz SZNKIKRZFGLCAT-UHFFFAOYSA-N 0 0 354.372 2.800 20 10 FFCDRN CC(=O)Nc1cc([N+](=O)[O-])c(F)cc1C(=O)NCc1ccc(N(C)C)cc1 ZINC001539049675 1070548796 /nfs/dbraw/zinc/54/87/96/1070548796.db2.gz LMTAUFIZCQGCGP-UHFFFAOYSA-N 0 0 374.372 2.688 20 10 FFCDRN CN(C)c1ccc(CN2CC3(C[C@H]3C(=O)Nc3cn[nH]c3)C2)c(Cl)c1 ZINC001280043479 1044127786 /nfs/dbraw/zinc/12/77/86/1044127786.db2.gz PFQWGODEFCHORS-HNNXBMFYSA-N 0 0 359.861 2.590 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ncc(Br)s2)c1O ZINC001313192341 1044267747 /nfs/dbraw/zinc/26/77/47/1044267747.db2.gz GFOYFIISRSCINY-UHFFFAOYSA-N 0 0 372.244 2.619 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CCCCO2)n1CC1(C)COC1 ZINC001314753214 1044547282 /nfs/dbraw/zinc/54/72/82/1044547282.db2.gz MOOIYHBFYWQWGR-KRWDZBQOSA-N 0 0 372.469 2.898 20 10 FFCDRN CCN(C(=O)c1[nH]nc2c1CN(Cc1cc(F)ccc1O)CC2)C(C)C ZINC001280292971 1044562026 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O=C(Nc1c2nonc2ccc1Cl)c1ccc(=O)n(-c2ccccc2)n1 ZINC001326697854 1047040944 /nfs/dbraw/zinc/04/09/44/1047040944.db2.gz JCPCHPSYMLQQNH-UHFFFAOYSA-N 0 0 367.752 2.674 20 10 FFCDRN CC(C)c1nnc(N(C)[C@H]2CCOC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001287178944 1047214554 /nfs/dbraw/zinc/21/45/54/1047214554.db2.gz NHKJTCMAQGKCKY-HNNXBMFYSA-N 0 0 361.465 2.880 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@]34CCO[C@@H]3CCCC4)CC2)c(OC)c1 ZINC001287484104 1047292030 /nfs/dbraw/zinc/29/20/30/1047292030.db2.gz CWRGOVUQKLMYSR-CTNGQTDRSA-N 0 0 374.481 2.702 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(COC(=O)C=C1CCC(C)CC1)cc2=O ZINC000734203484 1047765128 /nfs/dbraw/zinc/76/51/28/1047765128.db2.gz RYQZZILMOYQHOH-UHFFFAOYSA-N 0 0 373.409 2.791 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1sccc1C ZINC001327398983 1047878743 /nfs/dbraw/zinc/87/87/43/1047878743.db2.gz BOPAOZYAXCAOSN-UHFFFAOYSA-N 0 0 360.479 2.860 20 10 FFCDRN COc1cc(C)cc(CNc2ccc(C(=O)N3CCOCC3)cc2)c1O ZINC001331569715 1048013515 /nfs/dbraw/zinc/01/35/15/1048013515.db2.gz QRXXXMLCPTVWIM-UHFFFAOYSA-N 0 0 356.422 2.794 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCC1CC(c2ccccc2)C1 ZINC001327772781 1048035091 /nfs/dbraw/zinc/03/50/91/1048035091.db2.gz JWQCRCPRKLRLIJ-UHFFFAOYSA-N 0 0 352.434 2.661 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC001331887931 1048154101 /nfs/dbraw/zinc/15/41/01/1048154101.db2.gz VMCOVKNEFPJNIR-QGZVFWFLSA-N 0 0 374.481 2.596 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CC[C@H]1C1CCCC1 ZINC001332713320 1048522457 /nfs/dbraw/zinc/52/24/57/1048522457.db2.gz CVVVATSXCWGTLS-ZDUSSCGKSA-N 0 0 353.513 2.533 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2C[C@H](O)C3(CC3)C2)ccc1C ZINC001328937255 1048526635 /nfs/dbraw/zinc/52/66/35/1048526635.db2.gz PIDMPVSIWZBPRP-IBGZPJMESA-N 0 0 352.434 2.812 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCC[C@H](N2CCCC2=O)C1 ZINC001332739659 1048541259 /nfs/dbraw/zinc/54/12/59/1048541259.db2.gz WSZSWRATSANUFJ-LBPRGKRZSA-N 0 0 360.435 2.540 20 10 FFCDRN CN(C)c1cc(F)c(C[NH2+][C@@H](C(=O)[O-])[C@H]2CCOC3(CCC3)C2)cc1F ZINC001329683135 1048853844 /nfs/dbraw/zinc/85/38/44/1048853844.db2.gz WFQYOYYRBWAVEJ-YVEFUNNKSA-N 0 0 368.424 2.923 20 10 FFCDRN CN(C)c1cc(F)c(C[NH2+][C@@H](C(=O)[O-])[C@@H]2CCOC3(CCC3)C2)cc1F ZINC001329683133 1048854102 /nfs/dbraw/zinc/85/41/02/1048854102.db2.gz WFQYOYYRBWAVEJ-SJKOYZFVSA-N 0 0 368.424 2.923 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N(C)Cc2cc[nH]n2)cc1 ZINC001329832105 1048929283 /nfs/dbraw/zinc/92/92/83/1048929283.db2.gz YYDJGURAKGVKGU-UHFFFAOYSA-N 0 0 350.422 2.831 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cc2cc[nH]c2cn1 ZINC001329888539 1048952272 /nfs/dbraw/zinc/95/22/72/1048952272.db2.gz RPGILKXGBHEQQK-UHFFFAOYSA-N 0 0 369.400 2.860 20 10 FFCDRN CC1(C)OC[C@H](/C=C/C(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC001541080755 1071049716 /nfs/dbraw/zinc/04/97/16/1071049716.db2.gz NQNRUMWCUQLKLR-OZSKJFCKSA-N 0 0 362.495 2.564 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@]12C[C@H]1CCCC2 ZINC001333799636 1049124348 /nfs/dbraw/zinc/12/43/48/1049124348.db2.gz KQTFWEGHMFNUCN-UTKZUKDTSA-N 0 0 355.482 2.600 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3nc([C@H]4C[C@@H]4C)no3)CC2)cc1 ZINC001330337808 1049137323 /nfs/dbraw/zinc/13/73/23/1049137323.db2.gz INTBRGLDQHBLMZ-BBRMVZONSA-N 0 0 356.426 2.554 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCc2nc(C3CC3)ncc2C1 ZINC001330680527 1049268751 /nfs/dbraw/zinc/26/87/51/1049268751.db2.gz GASPAOCJDASGOW-UHFFFAOYSA-N 0 0 365.481 2.996 20 10 FFCDRN CN1CCN(c2ccc(CN[C@H](c3ncccn3)C3CC3)cc2F)CC1 ZINC001334233089 1049325067 /nfs/dbraw/zinc/32/50/67/1049325067.db2.gz PVCMDZCKCAZBHV-IBGZPJMESA-N 0 0 355.461 2.608 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CC[C@@H]([C@@H]4CCCO4)C3)cs2)cc1 ZINC001331016867 1049439240 /nfs/dbraw/zinc/43/92/40/1049439240.db2.gz REVYCUXHAGZYEG-PBHICJAKSA-N 0 0 357.479 2.957 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CC[C@@H]([C@H]4CCCO4)C3)cs2)cc1 ZINC001331016870 1049439722 /nfs/dbraw/zinc/43/97/22/1049439722.db2.gz REVYCUXHAGZYEG-RHSMWYFYSA-N 0 0 357.479 2.957 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1CCC2(CC2)CC1 ZINC001331156777 1049491826 /nfs/dbraw/zinc/49/18/26/1049491826.db2.gz VMNBOHHIVBBKBP-HNNXBMFYSA-N 0 0 361.438 2.659 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCCC(=O)OCc2ccccc2)cc1 ZINC001294608716 1049778909 /nfs/dbraw/zinc/77/89/09/1049778909.db2.gz RILWDMDKSDPUTL-UHFFFAOYSA-N 0 0 354.366 2.712 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@H]1CCCCO1 ZINC001295589943 1049955785 /nfs/dbraw/zinc/95/57/85/1049955785.db2.gz AWEFSXSAGRTZCP-CQSZACIVSA-N 0 0 355.818 2.506 20 10 FFCDRN CC(C)c1nc([C@H]2COCCN2C(=O)c2ccc(N=NC(N)=O)cc2)no1 ZINC001296256383 1050042326 /nfs/dbraw/zinc/04/23/26/1050042326.db2.gz BEJSFOFQLGNUGD-CYBMUJFWSA-N 0 0 372.385 2.569 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1ccc(Br)[nH]c1=O ZINC001297562864 1050220229 /nfs/dbraw/zinc/22/02/29/1050220229.db2.gz QAPMRWBTACLCDS-UHFFFAOYSA-N 0 0 372.215 2.671 20 10 FFCDRN CCn1c(-c2nc([C@H]3C[C@@H]3C)no2)nnc1N(C)Cc1ccccc1O ZINC001339953119 1050368394 /nfs/dbraw/zinc/36/83/94/1050368394.db2.gz TZWIFKGCHHQUDV-AAEUAGOBSA-N 0 0 354.414 2.813 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2ccc[nH]2)n1C[C@@H]1CC=CCO1 ZINC001298363473 1050424437 /nfs/dbraw/zinc/42/44/37/1050424437.db2.gz DHEGVELAHSEHOB-INIZCTEOSA-N 0 0 365.437 2.960 20 10 FFCDRN COC1(C)CN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001299781177 1050603338 /nfs/dbraw/zinc/60/33/38/1050603338.db2.gz XYSRZHZDRSQGQO-UHFFFAOYSA-N 0 0 355.486 2.803 20 10 FFCDRN CNc1ccc(C(=O)NCc2ccc3c(c2)CCCN3C)cc1[N+](=O)[O-] ZINC000746880040 1050945496 /nfs/dbraw/zinc/94/54/96/1050945496.db2.gz VSJMNJBYKRZPFI-UHFFFAOYSA-N 0 0 354.410 2.949 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCc2cc3ccccc3o2)cc1 ZINC001340758708 1051113031 /nfs/dbraw/zinc/11/30/31/1051113031.db2.gz CGEKBZVXRAMPSB-UHFFFAOYSA-N 0 0 365.433 2.774 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CCN(c2ccc(F)cn2)CC1 ZINC001342569537 1051176222 /nfs/dbraw/zinc/17/62/22/1051176222.db2.gz NKRWTCASQAEENS-UHFFFAOYSA-N 0 0 374.445 2.593 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCc2c1cccc2Cl ZINC001340892140 1051221009 /nfs/dbraw/zinc/22/10/09/1051221009.db2.gz BNCSUXOBWVYTOH-MRXNPFEDSA-N 0 0 358.825 2.808 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1cc(-c2cnc3[nH]ccc3c2)ccn1 ZINC001303226089 1051307324 /nfs/dbraw/zinc/30/73/24/1051307324.db2.gz WHAQFQGXPURVRF-UHFFFAOYSA-N 0 0 360.373 2.918 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNc3c([N+](=O)[O-])cnn3C)cc2F)C[C@@H](C)O1 ZINC001342846607 1051455624 /nfs/dbraw/zinc/45/56/24/1051455624.db2.gz FNQXALZHQNERJF-VXGBXAGGSA-N 0 0 363.393 2.693 20 10 FFCDRN CCn1c(COc2ccccc2O)nnc1N(C)Cc1ccccc1O ZINC001342878504 1051488122 /nfs/dbraw/zinc/48/81/22/1051488122.db2.gz NQBZWBFIDOLKCG-UHFFFAOYSA-N 0 0 354.410 2.925 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1cnn2c1nccc2-c1ccccc1 ZINC001304051029 1051514824 /nfs/dbraw/zinc/51/48/24/1051514824.db2.gz SEDRLEXYSJQGFV-UHFFFAOYSA-N 0 0 360.373 2.738 20 10 FFCDRN O=C(Cn1cnc(-c2ccccc2)n1)Nc1c2nonc2ccc1Cl ZINC001342953722 1051567462 /nfs/dbraw/zinc/56/74/62/1051567462.db2.gz ZEGPVVJPAYGNPB-UHFFFAOYSA-N 0 0 354.757 2.773 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCO[C@@H](Cc2ccccc2)C1 ZINC001341279719 1051637675 /nfs/dbraw/zinc/63/76/75/1051637675.db2.gz HUSFZPZKVXODSM-AWEZNQCLSA-N 0 0 356.451 2.697 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001343153542 1051776191 /nfs/dbraw/zinc/77/61/91/1051776191.db2.gz LTSOTTKXVHTOHP-CYBMUJFWSA-N 0 0 366.487 2.610 20 10 FFCDRN c1coc(Cn2c(-c3ccccc3)cnc2SCCn2cnnn2)c1 ZINC001307285276 1052280262 /nfs/dbraw/zinc/28/02/62/1052280262.db2.gz CWSLQNOUHICRHC-UHFFFAOYSA-N 0 0 352.423 2.970 20 10 FFCDRN Cc1ocnc1-c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1 ZINC001345193714 1052311905 /nfs/dbraw/zinc/31/19/05/1052311905.db2.gz LYWDVXNKFPQODK-CQSZACIVSA-N 0 0 369.425 2.620 20 10 FFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC001308196572 1052430173 /nfs/dbraw/zinc/43/01/73/1052430173.db2.gz CJVFGEIHKMUIES-UHFFFAOYSA-N 0 0 361.436 2.972 20 10 FFCDRN CON(C)S(=O)(=O)c1ccc(NCc2c(O)cccc2Cl)cc1 ZINC001308515212 1052464088 /nfs/dbraw/zinc/46/40/88/1052464088.db2.gz BVJQVQFMHCDYGC-UHFFFAOYSA-N 0 0 356.831 2.840 20 10 FFCDRN Cn1nnnc1-c1ccc(NCc2ccc(Br)cc2O)cc1 ZINC001308863569 1052509213 /nfs/dbraw/zinc/50/92/13/1052509213.db2.gz DQAWNEMFIDUCBK-UHFFFAOYSA-N 0 0 360.215 2.957 20 10 FFCDRN CCOc1ccc(C(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)cn1 ZINC001345629179 1052546021 /nfs/dbraw/zinc/54/60/21/1052546021.db2.gz NLTZRAYIBOJEEJ-OAHLLOKOSA-N 0 0 355.438 2.745 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1Cc2cccnc2C1 ZINC001345632577 1052548435 /nfs/dbraw/zinc/54/84/35/1052548435.db2.gz LYDVUYHKZKDJJD-QGZVFWFLSA-N 0 0 353.491 2.666 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)C[C@@H](C)C3CC3)CC2)cc1 ZINC001309139460 1052562940 /nfs/dbraw/zinc/56/29/40/1052562940.db2.gz RXDURZQXYMXZTG-CQSZACIVSA-N 0 0 352.500 2.630 20 10 FFCDRN Nc1ccc(Cc2nc(C(=O)N3CC[C@@H]4OCCC[C@H]4C3)cs2)cc1 ZINC001346104947 1052749926 /nfs/dbraw/zinc/74/99/26/1052749926.db2.gz NDKNJBNWICMURS-YOEHRIQHSA-N 0 0 357.479 2.957 20 10 FFCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N1CC[C@H](COC)C1 ZINC001344466834 1052784819 /nfs/dbraw/zinc/78/48/19/1052784819.db2.gz CJJFJORKUWCWCB-ZDUSSCGKSA-N 0 0 366.487 2.612 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CC[C@H](C3CC3)C2)n1C[C@@H]1CCOC1 ZINC001344468623 1052786767 /nfs/dbraw/zinc/78/67/67/1052786767.db2.gz IDVLRBZBNWJLMW-JSGCOSHPSA-N 0 0 360.483 2.985 20 10 FFCDRN Cc1nc([C@H]2CCN(C(=O)c3csc(Cc4ccc(N)cc4)n3)C2)no1 ZINC001344652866 1052878036 /nfs/dbraw/zinc/87/80/36/1052878036.db2.gz RYXLEXICMMVMRO-ZDUSSCGKSA-N 0 0 369.450 2.637 20 10 FFCDRN CC[C@@H](C(=O)NCCCSc1nccs1)N1CCO[C@@H](CC)C1 ZINC001542956216 1071345978 /nfs/dbraw/zinc/34/59/78/1071345978.db2.gz NWFQUXXPZJMCNM-KBPBESRZSA-N 0 0 357.545 2.631 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NC[C@H]1CCC2(CCCC2)O1)c1ccc(N(C)C)cc1 ZINC001346566429 1053112631 /nfs/dbraw/zinc/11/26/31/1053112631.db2.gz WONNIKKULKNFQS-CRAIPNDOSA-N 0 0 373.497 2.538 20 10 FFCDRN CCOc1ccc(N2CCN(CCS(=O)(=O)c3ccccc3)CC2)cc1 ZINC001335134738 1053230107 /nfs/dbraw/zinc/23/01/07/1053230107.db2.gz REWAQFZHPBHMIU-UHFFFAOYSA-N 0 0 374.506 2.681 20 10 FFCDRN Nc1ccc(CNC(=O)NC[C@H]2CN(c3ccc(Cl)cc3)CCO2)cc1 ZINC001335677614 1053500608 /nfs/dbraw/zinc/50/06/08/1053500608.db2.gz JPLFGKYRCSPYAT-SFHVURJKSA-N 0 0 374.872 2.627 20 10 FFCDRN Nc1ccc(CNC(=O)N2CC[C@H](c3nccc(C(F)(F)F)n3)C2)cc1 ZINC001335737378 1053531303 /nfs/dbraw/zinc/53/13/03/1053531303.db2.gz OQOHPVCTNOZUFJ-LBPRGKRZSA-N 0 0 365.359 2.777 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@@]12C[C@@H]1CCCC2 ZINC001336378044 1053953454 /nfs/dbraw/zinc/95/34/54/1053953454.db2.gz AOGYLUXZAKAPRD-SGXKBVARSA-N 0 0 367.493 2.764 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cccc4[nH]c(=O)oc43)CC2)cc1 ZINC001336532779 1054046831 /nfs/dbraw/zinc/04/68/31/1054046831.db2.gz WZDSMVRIEYIKOA-UHFFFAOYSA-N 0 0 367.405 2.895 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)[C@H]2COc3ccc(O)cc3O2)C2CC2)cc1 ZINC001543500833 1071488310 /nfs/dbraw/zinc/48/83/10/1071488310.db2.gz AZTAPIMPIHUNRT-HXUWFJFHSA-N 0 0 368.433 2.789 20 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/nfs/dbraw/zinc/33/59/59/1055335959.db2.gz RNIWXNAOKHIMBF-AWEZNQCLSA-N 0 0 364.486 2.623 20 10 FFCDRN CC[C@@H](C)CN(C)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001349893771 1055526323 /nfs/dbraw/zinc/52/63/23/1055526323.db2.gz NRZJNQBFAQMNBI-OAHLLOKOSA-N 0 0 360.502 2.576 20 10 FFCDRN COc1ccc(N2CCCN(c3nnc(C4CC=CC4)n3C)CC2)cc1 ZINC001338506836 1055578864 /nfs/dbraw/zinc/57/88/64/1055578864.db2.gz SKOVNYNZROHWDF-UHFFFAOYSA-N 0 0 353.470 2.974 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccnc(NC)c2[N+](=O)[O-])cc1 ZINC000847358089 1055586049 /nfs/dbraw/zinc/58/60/49/1055586049.db2.gz UAYPQRXQHGFNGK-UHFFFAOYSA-N 0 0 357.414 2.808 20 10 FFCDRN CNc1nccc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1[N+](=O)[O-] ZINC000847400621 1055705479 /nfs/dbraw/zinc/70/54/79/1055705479.db2.gz RDMRTZFLLWSEPF-UHFFFAOYSA-N 0 0 369.425 2.952 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1nnn(C(C)(C)C)n1 ZINC000847419990 1055746157 /nfs/dbraw/zinc/74/61/57/1055746157.db2.gz CWDIEACPDZXURM-UHFFFAOYSA-N 0 0 360.462 2.646 20 10 FFCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CCC[C@@H](C(C)(C)O)C1 ZINC001338750886 1055783000 /nfs/dbraw/zinc/78/30/00/1055783000.db2.gz ZZMWILVXSQXDNH-LLVKDONJSA-N 0 0 373.482 2.785 20 10 FFCDRN COc1ccc(CN(C)c2nnc(C3SC=CC3=O)n2C)c(OC)c1 ZINC001338751015 1055783424 /nfs/dbraw/zinc/78/34/24/1055783424.db2.gz POEMXOJKQSIWLN-UHFFFAOYSA-N 0 0 360.439 2.903 20 10 FFCDRN COC(=O)c1nc([C@H]2CCCN2C(=O)NCc2ccc(N)cc2)sc1C ZINC001338793424 1055822091 /nfs/dbraw/zinc/82/20/91/1055822091.db2.gz PHAUCIYRYRWZDO-CQSZACIVSA-N 0 0 374.466 2.867 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCO[C@H](c2ccccc2)O1 ZINC000847539614 1056013786 /nfs/dbraw/zinc/01/37/86/1056013786.db2.gz QYZVGEFHAWWTKZ-RXVVDRJESA-N 0 0 368.433 2.982 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC001351330260 1056201185 /nfs/dbraw/zinc/20/11/85/1056201185.db2.gz MGXJOWADLNEKKP-UHFFFAOYSA-N 0 0 355.438 2.537 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@@H]1C(=O)Nc2ccc(F)cc21 ZINC001544577314 1071662713 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CC[C@@H]1CN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C[C@H]1O ZINC001447285324 1058618842 /nfs/dbraw/zinc/61/88/42/1058618842.db2.gz JAEFIBHMCGNHKO-JLTOFOAXSA-N 0 0 356.466 2.758 20 10 FFCDRN CC[C@H]1CN(C(=O)Cn2c3ccc(OC)cc3c3c2CCCC3)C[C@@H]1O ZINC001447285327 1058619124 /nfs/dbraw/zinc/61/91/24/1058619124.db2.gz JAEFIBHMCGNHKO-XOBRGWDASA-N 0 0 356.466 2.758 20 10 FFCDRN Cc1ccccc1C1=NO[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC001354370681 1058913543 /nfs/dbraw/zinc/91/35/43/1058913543.db2.gz DZYIJNYGCDMAPV-FQEVSTJZSA-N 0 0 365.433 2.980 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC/C=C/c1ccccc1 ZINC001354509018 1059089789 /nfs/dbraw/zinc/08/97/89/1059089789.db2.gz ICJHGNCVOMKOMV-JXMROGBWSA-N 0 0 351.450 2.507 20 10 FFCDRN COC1(C)CN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001504034080 1059137861 /nfs/dbraw/zinc/13/78/61/1059137861.db2.gz ZEGAVIFFVGVQFE-UHFFFAOYSA-N 0 0 359.449 2.634 20 10 FFCDRN O=C(CCOc1ccccc1Br)NCc1ccc(O)cc1O ZINC001451763932 1059142312 /nfs/dbraw/zinc/14/23/12/1059142312.db2.gz CHEQCNJADCZLGG-UHFFFAOYSA-N 0 0 366.211 2.946 20 10 FFCDRN COC(=O)c1coc(CNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n1 ZINC001452764452 1059293948 /nfs/dbraw/zinc/29/39/48/1059293948.db2.gz FGOFKVQOFRESDD-UHFFFAOYSA-N 0 0 353.378 2.799 20 10 FFCDRN CC1=NO[C@](C)(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1 ZINC001354656831 1059321786 /nfs/dbraw/zinc/32/17/86/1059321786.db2.gz GYDQOLSAOZULSH-LPMFXHHGSA-N 0 0 363.433 2.610 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccc4[nH]cc(C=O)c4c3)C2)cc1 ZINC001453222420 1059350165 /nfs/dbraw/zinc/35/01/65/1059350165.db2.gz WGWXYNGVOFZLFY-MRXNPFEDSA-N 0 0 363.417 2.998 20 10 FFCDRN CC(C)[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCO1 ZINC001354687298 1059363856 /nfs/dbraw/zinc/36/38/56/1059363856.db2.gz CVSQUCVIZAFWOX-LPHOPBHVSA-N 0 0 364.461 2.730 20 10 FFCDRN O=C(NCc1nnc2ccc(Cl)cn21)c1cc2cc(O)c(O)cc2s1 ZINC001453807876 1059413768 /nfs/dbraw/zinc/41/37/68/1059413768.db2.gz CTHFNAIOSSUIIV-UHFFFAOYSA-N 0 0 374.809 2.939 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3c4c(nn3C)CCC4)C2)cc1 ZINC001515391483 1059637174 /nfs/dbraw/zinc/63/71/74/1059637174.db2.gz KJQKIGGSLKUKAU-CQSZACIVSA-N 0 0 355.438 2.601 20 10 FFCDRN C[C@@H](C(=O)NCc1cccc(O)c1O)N(C(=O)OC(C)(C)C)C1CC1 ZINC001520508909 1059746670 /nfs/dbraw/zinc/74/66/70/1059746670.db2.gz OZZRVWWKFWFWEX-NSHDSACASA-N 0 0 350.415 2.502 20 10 FFCDRN Cc1cc(CC(=O)N[C@@H]2Cc3cccnc3NC2=O)c(C)n1-c1ccccc1 ZINC001455340522 1059762681 /nfs/dbraw/zinc/76/26/81/1059762681.db2.gz REVXIOYKYMGDOS-LJQANCHMSA-N 0 0 374.444 2.711 20 10 FFCDRN Cc1c(C(=O)NCc2c(O)cccc2O)cnn1-c1ccc(F)cc1F ZINC001456237113 1060064895 /nfs/dbraw/zinc/06/48/95/1060064895.db2.gz SXXUUUMLIIZXEJ-UHFFFAOYSA-N 0 0 359.332 2.800 20 10 FFCDRN COCCn1c([C@H](C)O)nnc1N(C)Cc1ccc(N2CCCCC2)cc1 ZINC001355402583 1060209224 /nfs/dbraw/zinc/20/92/24/1060209224.db2.gz NZTKRSJFVJKYFM-INIZCTEOSA-N 0 0 373.501 2.605 20 10 FFCDRN CC(C)(C)n1nnc(CNCc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 ZINC000848566131 1060284608 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COC(=O)c1ccc(OC)c(CN2CCOc3cc(N(C)C)ccc32)c1 ZINC001459876334 1060837161 /nfs/dbraw/zinc/83/71/61/1060837161.db2.gz NKKPGVFKAVCILR-UHFFFAOYSA-N 0 0 356.422 2.947 20 10 FFCDRN Cn1cnc(/C=C/C(=O)N2CCOc3cc(F)c(Br)cc32)c1 ZINC001460447649 1060994513 /nfs/dbraw/zinc/99/45/13/1060994513.db2.gz FDPZAFDNLQMYEE-NSCUHMNNSA-N 0 0 366.190 2.761 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(COCC2CC2)n1C[C@@H]1CCOC1 ZINC001526283874 1061066914 /nfs/dbraw/zinc/06/69/14/1061066914.db2.gz KPXKLVZCQPRLQG-INIZCTEOSA-N 0 0 372.469 2.583 20 10 FFCDRN O=C(CC1CCCC1)NC1CCC(C(=O)NCc2cccc(O)c2O)CC1 ZINC001521851025 1061169070 /nfs/dbraw/zinc/16/90/70/1061169070.db2.gz DKZRYTRFFXZJBB-UHFFFAOYSA-N 0 0 374.481 2.969 20 10 FFCDRN O=C(NCc1cccc(O)c1O)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC001521851238 1061169173 /nfs/dbraw/zinc/16/91/73/1061169173.db2.gz IFFAQNXYVUYBSD-JTQLQIEISA-N 0 0 355.316 2.507 20 10 FFCDRN O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001461007166 1061184266 /nfs/dbraw/zinc/18/42/66/1061184266.db2.gz MRXJADZVRLICDP-UHFFFAOYSA-N 0 0 369.824 2.529 20 10 FFCDRN COCC(=O)Nc1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC001461076545 1061203021 /nfs/dbraw/zinc/20/30/21/1061203021.db2.gz ZGPULOQLFLZELD-UHFFFAOYSA-N 0 0 373.428 2.859 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCOc3ncccc3C2)c([N+](=O)[O-])c1 ZINC000763205736 1061214480 /nfs/dbraw/zinc/21/44/80/1061214480.db2.gz CZALEGNJEGMDFQ-ALCCZGGFSA-N 0 0 355.350 2.575 20 10 FFCDRN O=C(NC[C@@H](CO)CC1CC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001476768583 1061475213 /nfs/dbraw/zinc/47/52/13/1061475213.db2.gz LMOBYYBTPKRXNJ-HNNXBMFYSA-N 0 0 365.437 2.926 20 10 FFCDRN CCOC(=O)[C@@H](C)CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001476767818 1061475451 /nfs/dbraw/zinc/47/54/51/1061475451.db2.gz JTNZJPZFGHAUOM-ZDUSSCGKSA-N 0 0 367.409 2.717 20 10 FFCDRN COc1ccc(CNC(=O)c2c[nH]nc2NCc2ccc(C)cc2O)cc1 ZINC001462667425 1061715601 /nfs/dbraw/zinc/71/56/01/1061715601.db2.gz OTUPEMUFGARFPZ-UHFFFAOYSA-N 0 0 366.421 2.974 20 10 FFCDRN COc1c(O)c(CNc2ccc(N3C(=O)CCC3=O)cc2)ccc1[N+](=O)[O-] ZINC001462669070 1061716056 /nfs/dbraw/zinc/71/60/56/1061716056.db2.gz QBJRBSQQYLCQHZ-UHFFFAOYSA-N 0 0 371.349 2.575 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)NC3(CC(C)C)CC3)CC2)cc1 ZINC001477653981 1061763935 /nfs/dbraw/zinc/76/39/35/1061763935.db2.gz SYZOFSJKTJDEOL-UHFFFAOYSA-N 0 0 374.529 2.695 20 10 FFCDRN Cc1cc(Cn2c(C3SC=CC3=O)nnc2N2CCC(F)CC2)no1 ZINC001528333717 1061864217 /nfs/dbraw/zinc/86/42/17/1061864217.db2.gz VNFCZRSMXQPLDW-UHFFFAOYSA-N 0 0 363.418 2.995 20 10 FFCDRN Cc1cc(CC(=O)N2CC(=O)N(C)C[C@@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001522892277 1062320985 /nfs/dbraw/zinc/32/09/85/1062320985.db2.gz QOEFJYOJVPDQJR-AWEZNQCLSA-N 0 0 373.884 2.979 20 10 FFCDRN COCCn1c(-c2cc(C3CC3)[nH]n2)nnc1N(C)Cc1ccccc1O ZINC001523634238 1062557180 /nfs/dbraw/zinc/55/71/80/1062557180.db2.gz HKZBQTDYZRLHML-UHFFFAOYSA-N 0 0 368.441 2.534 20 10 FFCDRN C/C(=C\C(=O)N1CC(=O)Nc2cc(Br)ccc21)c1cnccn1 ZINC001435770179 1062557511 /nfs/dbraw/zinc/55/75/11/1062557511.db2.gz OJNIAUUCGOXFPP-UXBLZVDNSA-N 0 0 373.210 2.628 20 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WCJFRDVXOAFKKZ-UHFFFAOYSA-N 0 0 358.789 2.558 20 10 FFCDRN CNC(=O)c1cc2cc(NC(=O)NCc3c(O)cccc3F)ccc2[nH]1 ZINC001466395916 1063422564 /nfs/dbraw/zinc/42/25/64/1063422564.db2.gz WDJHZWRVVFQWBI-UHFFFAOYSA-N 0 0 356.357 2.694 20 10 FFCDRN Cn1cc(NC(=O)NCc2cccc(Cl)c2O)c(Br)n1 ZINC001466995924 1063612284 /nfs/dbraw/zinc/61/22/84/1063612284.db2.gz CQEMURFQZCTNQR-UHFFFAOYSA-N 0 0 359.611 2.863 20 10 FFCDRN C[C@@H](NC(=O)[C@]1(C(=O)OC(C)(C)C)CCCO1)c1ccc(N(C)C)cc1 ZINC001467259554 1063687051 /nfs/dbraw/zinc/68/70/51/1063687051.db2.gz JWEMUIODBFDUMB-VLIAUNLRSA-N 0 0 362.470 2.821 20 10 FFCDRN COc1ccc(CNC(=O)c2ccn(-c3cc(F)cc(F)c3)n2)c(O)c1 ZINC001467471093 1063755291 /nfs/dbraw/zinc/75/52/91/1063755291.db2.gz SANLYPYYASLZDR-UHFFFAOYSA-N 0 0 359.332 2.795 20 10 FFCDRN COC(=O)c1cc(NC(=O)Cc2ccc(O)c(O)c2)cc(Cl)c1F ZINC001467690084 1063820319 /nfs/dbraw/zinc/82/03/19/1063820319.db2.gz MRJLSRWRUMPJAN-UHFFFAOYSA-N 0 0 353.733 2.858 20 10 FFCDRN CCOC(=O)[C@H](C(=O)NCc1cccc(Br)c1O)C(C)C ZINC001467764035 1063845182 /nfs/dbraw/zinc/84/51/82/1063845182.db2.gz NIMBLKREPCLRKD-LBPRGKRZSA-N 0 0 358.232 2.606 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCCn1cccnc1=O ZINC001467811877 1063858336 /nfs/dbraw/zinc/85/83/36/1063858336.db2.gz QXHSGMMDSQCMFW-UHFFFAOYSA-N 0 0 364.449 2.779 20 10 FFCDRN Cc1cc(CC(=O)N2CC(=O)N[C@@H](C)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001468190325 1063941237 /nfs/dbraw/zinc/94/12/37/1063941237.db2.gz MFWPAYDBQKVCLO-LBPRGKRZSA-N 0 0 359.857 2.637 20 10 FFCDRN CC[C@@H](NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1)c1noc(C)n1 ZINC001468323376 1063965961 /nfs/dbraw/zinc/96/59/61/1063965961.db2.gz UPZFMASLGMJYML-SUMWQHHRSA-N 0 0 373.457 2.726 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@@](C)(O)c2cccc(F)c2)cc1F ZINC001468353992 1063971984 /nfs/dbraw/zinc/97/19/84/1063971984.db2.gz GHAOATOYHLXPLC-LJQANCHMSA-N 0 0 363.408 2.738 20 10 FFCDRN C[C@@H](CO[C@@H]1CCOC1)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001469355627 1064133802 /nfs/dbraw/zinc/13/38/02/1064133802.db2.gz VAGVPTRFBHNZCZ-QFBILLFUSA-N 0 0 361.486 2.622 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC001470218337 1064278016 /nfs/dbraw/zinc/27/80/16/1064278016.db2.gz SRHDNNBMVVVMGG-SJKOYZFVSA-N 0 0 367.323 2.691 20 10 FFCDRN O=C(NCc1nc(C(F)(F)F)no1)NCc1c(O)ccc2c1CCCC2 ZINC001471223978 1064604308 /nfs/dbraw/zinc/60/43/08/1064604308.db2.gz JVXABQGBKOOSTL-UHFFFAOYSA-N 0 0 370.331 2.672 20 10 FFCDRN CS(=O)(=O)c1cccc(Cl)c1C(=O)N1Cc2cccc(O)c2C1 ZINC001471355099 1064652756 /nfs/dbraw/zinc/65/27/56/1064652756.db2.gz AAXHBBMKCRIQNV-UHFFFAOYSA-N 0 0 351.811 2.605 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2C[C@H](S(C)(=O)=O)C2)c(C)n1-c1ccccc1C ZINC001471504857 1064700146 /nfs/dbraw/zinc/70/01/46/1064700146.db2.gz YDCXKEOIOSRLMT-WKILWMFISA-N 0 0 360.479 2.708 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001471542563 1064709846 /nfs/dbraw/zinc/70/98/46/1064709846.db2.gz KEUHEJVQTNUHDK-OAHLLOKOSA-N 0 0 357.479 2.896 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1ccccc1[S@](=O)C(F)(F)F ZINC001471662286 1064750583 /nfs/dbraw/zinc/75/05/83/1064750583.db2.gz XOQDVJSPXMTSDG-DEOSSOPVSA-N 0 0 359.325 2.655 20 10 FFCDRN CCc1c(C(=O)NCc2cc(O)ccc2O)cnn1-c1ccc(OC)cc1 ZINC001471661726 1064751068 /nfs/dbraw/zinc/75/10/68/1064751068.db2.gz ZWWDVRJSDGULDY-UHFFFAOYSA-N 0 0 367.405 2.785 20 10 FFCDRN C[C@H](Oc1ccccc1Br)C(=O)NCc1cc(O)ccc1O ZINC001471661693 1064751218 /nfs/dbraw/zinc/75/12/18/1064751218.db2.gz YOGQJCVELYQUDL-JTQLQIEISA-N 0 0 366.211 2.944 20 10 FFCDRN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(N)cc1 ZINC001575236593 1078119647 /nfs/dbraw/zinc/11/96/47/1078119647.db2.gz CJGXNZCKIOQYOS-GOSISDBHSA-N 0 0 354.450 2.881 20 10 FFCDRN Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCc1c(O)cccc1O ZINC001472063116 1064913755 /nfs/dbraw/zinc/91/37/55/1064913755.db2.gz DVRPXLALMQPKJU-UHFFFAOYSA-N 0 0 351.406 2.759 20 10 FFCDRN CCCN(CC)C(=O)c1ccc(C(=O)NCc2c(O)cccc2O)cc1 ZINC001472063723 1064915486 /nfs/dbraw/zinc/91/54/86/1064915486.db2.gz ORHGXHMRSJWDKH-UHFFFAOYSA-N 0 0 356.422 2.900 20 10 FFCDRN CC(C)(C)OC(=O)N1CC(C)(NC(=O)c2ccc(N=NC(N)=O)cc2)C1 ZINC001472385075 1065040744 /nfs/dbraw/zinc/04/07/44/1065040744.db2.gz CZJQVPXGRDVALB-UHFFFAOYSA-N 0 0 361.402 2.588 20 10 FFCDRN COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(N=NC(N)=O)cc1 ZINC001472433952 1065059205 /nfs/dbraw/zinc/05/92/05/1065059205.db2.gz GIKWTFRAWQDRPI-QEJZJMRPSA-N 0 0 358.398 2.795 20 10 FFCDRN CN(CC(=O)Nc1ccccc1Cl)C(=O)c1c(F)ccc(O)c1O ZINC001472483417 1065077057 /nfs/dbraw/zinc/07/70/57/1065077057.db2.gz DDISRRVSZYWIRZ-UHFFFAOYSA-N 0 0 352.749 2.601 20 10 FFCDRN COC(=O)c1ccc([N+](=O)[O-])c(NCc2ccc3cccnc3c2O)n1 ZINC001472810647 1065149432 /nfs/dbraw/zinc/14/94/32/1065149432.db2.gz RNXRKYKBTMFTQT-UHFFFAOYSA-N 0 0 354.322 2.642 20 10 FFCDRN COc1ccc(N2CCN(c3c(F)c(F)nc(F)c3F)CC2)c(OC)c1 ZINC001472857779 1065159155 /nfs/dbraw/zinc/15/91/55/1065159155.db2.gz HXSPGXBVZZSTFF-UHFFFAOYSA-N 0 0 371.334 2.982 20 10 FFCDRN Cc1cc(NCc2cc(O)ccc2O)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC001472869170 1065163310 /nfs/dbraw/zinc/16/33/10/1065163310.db2.gz PJJJPSQARXFMCZ-UHFFFAOYSA-N 0 0 352.350 2.805 20 10 FFCDRN Cc1cc(NCc2cc(F)cc(F)c2O)ccc1S(=O)(=O)N(C)C ZINC001474286981 1065485095 /nfs/dbraw/zinc/48/50/95/1065485095.db2.gz RYJRMUVIEDFBRW-UHFFFAOYSA-N 0 0 356.394 2.841 20 10 FFCDRN CCOC(=O)[C@@]1(F)CN(Cc2ccc(OC)c(OC)c2O)CC12CCC2 ZINC001474624340 1065564696 /nfs/dbraw/zinc/56/46/96/1065564696.db2.gz RCNIRADGRIBFGD-IBGZPJMESA-N 0 0 367.417 2.667 20 10 FFCDRN CC1CCN(C(=S)SCC(=O)NCCc2ccc(N)cc2)CC1 ZINC001576724938 1078266732 /nfs/dbraw/zinc/26/67/32/1078266732.db2.gz ZMTNRVRNICHTGL-UHFFFAOYSA-N 0 0 351.541 2.678 20 10 FFCDRN Oc1cccc2c1CN(c1cc(Br)ccc1-c1nn[nH]n1)C2 ZINC001582816527 1079113033 /nfs/dbraw/zinc/11/30/33/1079113033.db2.gz OILWQVLPRZXCFZ-UHFFFAOYSA-N 0 0 358.199 2.855 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C[C@@H](C)O1 ZINC001584536626 1079363198 /nfs/dbraw/zinc/36/31/98/1079363198.db2.gz FPJSHLYDUOPBOW-APWZRJJASA-N 0 0 370.449 2.805 20 10 FFCDRN COC(=O)Cc1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC001556191130 1075714392 /nfs/dbraw/zinc/71/43/92/1075714392.db2.gz WIVAUQDTGKTIMJ-UHFFFAOYSA-N 0 0 358.375 2.675 20 10 FFCDRN COc1ccc(CNC(=O)c2sc(Br)nc2C)c(O)c1 ZINC001556354043 1075732561 /nfs/dbraw/zinc/73/25/61/1075732561.db2.gz WJZMPBFTWRGDJL-UHFFFAOYSA-N 0 0 357.229 2.858 20 10 FFCDRN Cn1nc(-c2cc(F)cc(F)c2)cc1NC(=O)Cc1ccc(O)c(O)c1 ZINC001556437617 1075740316 /nfs/dbraw/zinc/74/03/16/1075740316.db2.gz JBAPCLCBGYWHBL-UHFFFAOYSA-N 0 0 359.332 2.958 20 10 FFCDRN COc1ccc([C@@H](O)C2CCN(C(=O)Cc3ccc(O)c(O)c3)CC2)cc1 ZINC001556757307 1075772607 /nfs/dbraw/zinc/77/26/07/1075772607.db2.gz RBQQILPQTDIUKB-OAQYLSRUSA-N 0 0 371.433 2.621 20 10 FFCDRN COc1cccc(CC(=O)Nc2c(-c3ccccn3)nc3ccccn32)n1 ZINC001556879515 1075784522 /nfs/dbraw/zinc/78/45/22/1075784522.db2.gz QLEKCYCCBSGOTC-UHFFFAOYSA-N 0 0 359.389 2.981 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)c2cc(C)n(-c3cccc(C)c3)c2C)C[C@H](C)O1 ZINC001557343682 1075840703 /nfs/dbraw/zinc/84/07/03/1075840703.db2.gz LGHNHUGZHMBHME-KXBFYZLASA-N 0 0 370.449 2.805 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1ccc(CNC(=O)C2CCCC2)cc1 ZINC001558174043 1075956495 /nfs/dbraw/zinc/95/64/95/1075956495.db2.gz COLXLBLTAIFHGG-UHFFFAOYSA-N 0 0 368.433 2.834 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC001558205695 1075960579 /nfs/dbraw/zinc/96/05/79/1075960579.db2.gz XQEGVTDNHMZXFF-OAHLLOKOSA-N 0 0 360.801 2.836 20 10 FFCDRN O=C(CCCc1ccc2c(c1)OCCCO2)NCc1c(O)cccc1O ZINC001558535325 1076026833 /nfs/dbraw/zinc/02/68/33/1076026833.db2.gz GMSMXUJAMSXHLJ-UHFFFAOYSA-N 0 0 357.406 2.898 20 10 FFCDRN CS(=O)(=O)c1ccc(/C=C\C(=O)NCc2c(O)ccc3ccccc32)o1 ZINC001558555333 1076031699 /nfs/dbraw/zinc/03/16/99/1076031699.db2.gz YHGPLPXJLACNED-YFHOEESVSA-N 0 0 371.414 2.872 20 10 FFCDRN O=C(CCCNC(=O)c1cccnc1)NCc1c(O)ccc2ccccc21 ZINC001558554141 1076031944 /nfs/dbraw/zinc/03/19/44/1076031944.db2.gz KQROMAUHZDWZSV-UHFFFAOYSA-N 0 0 363.417 2.767 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCCn2cc(-c3ccccc3)nn2)cc1 ZINC001558836766 1076086534 /nfs/dbraw/zinc/08/65/34/1076086534.db2.gz VKKUTYDGBDGGGO-UHFFFAOYSA-N 0 0 363.381 2.538 20 10 FFCDRN O=C(NCCOc1ccc(Br)cc1)c1c(F)ccc(O)c1O ZINC001558921651 1076102374 /nfs/dbraw/zinc/10/23/74/1076102374.db2.gz UNLZRURVIIDFNP-UHFFFAOYSA-N 0 0 370.174 2.808 20 10 FFCDRN COc1ccc(CNc2c3ccccc3n(C)c(=O)c2[N+](=O)[O-])c(O)c1 ZINC001559175094 1076132394 /nfs/dbraw/zinc/13/23/94/1076132394.db2.gz BICMDXQGAKJHLJ-UHFFFAOYSA-N 0 0 355.350 2.773 20 10 FFCDRN COC(=O)c1cc(OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)ccc1N(C)C ZINC001559456843 1076162227 /nfs/dbraw/zinc/16/22/27/1076162227.db2.gz RFYOANKVATYLBB-CKEIUWERSA-N 0 0 362.470 2.859 20 10 FFCDRN Oc1cc(F)c(F)cc1CN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC001560753571 1076296802 /nfs/dbraw/zinc/29/68/02/1076296802.db2.gz JNKHZZONCMAEME-UHFFFAOYSA-N 0 0 359.298 2.805 20 10 FFCDRN COC(=O)c1c(OC)nsc1CN[C@H](C)c1cc(OC)ccc1O ZINC001560814614 1076301764 /nfs/dbraw/zinc/30/17/64/1076301764.db2.gz CRTXHBAEKCBQPD-SECBINFHSA-N 0 0 352.412 2.503 20 10 FFCDRN COc1cc(C)c(CN(C)CC(=O)Nc2ccc3c(c2)OCCO3)c(O)c1 ZINC001560957666 1076313746 /nfs/dbraw/zinc/31/37/46/1076313746.db2.gz JUKIMLGHKKGULT-UHFFFAOYSA-N 0 0 372.421 2.551 20 10 FFCDRN COc1cc(C)c(C[N@@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@@H]3C2)c(O)c1 ZINC001560968622 1076314546 /nfs/dbraw/zinc/31/45/46/1076314546.db2.gz QLWTYPUBPAJXFO-AEFFLSMTSA-N 0 0 369.465 2.714 20 10 FFCDRN COc1cc(C)c(C[N@@H+]2Cc3cccnc3N3C[C@@H](OC)C[C@H]3C2)c(O)c1 ZINC001560968625 1076314571 /nfs/dbraw/zinc/31/45/71/1076314571.db2.gz QLWTYPUBPAJXFO-WMZOPIPTSA-N 0 0 369.465 2.714 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1 ZINC001561081962 1076329763 /nfs/dbraw/zinc/32/97/63/1076329763.db2.gz XQHOXMALTDUWHD-ROUUACIJSA-N 0 0 365.543 2.941 20 10 FFCDRN COC(=O)c1ccc(Cl)cc1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC001561858106 1076435385 /nfs/dbraw/zinc/43/53/85/1076435385.db2.gz SNKUXBFJKKOUEW-UHFFFAOYSA-N 0 0 367.810 2.537 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@]2(OC)CCSC2)cc1 ZINC001563693486 1076576187 /nfs/dbraw/zinc/57/61/87/1076576187.db2.gz RTBJZBXURCFBTE-GOSISDBHSA-N 0 0 351.516 2.854 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@]2(OC)CCSC2)cc1 ZINC001563693487 1076576237 /nfs/dbraw/zinc/57/62/37/1076576237.db2.gz RTBJZBXURCFBTE-SFHVURJKSA-N 0 0 351.516 2.854 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(n2)OCCO3)cc1F ZINC001565688272 1076753542 /nfs/dbraw/zinc/75/35/42/1076753542.db2.gz PWJUCTMRPTXITN-UHFFFAOYSA-N 0 0 359.401 2.768 20 10 FFCDRN C[C@H](c1ccccc1F)[C@H](O)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001566007943 1076842946 /nfs/dbraw/zinc/84/29/46/1076842946.db2.gz MOEICRMXAHOLNF-YJYMSZOUSA-N 0 0 358.413 2.782 20 10 FFCDRN Cc1cc(C(=O)N2CCN(CCO)C(C)(C)C2)c(C)n1-c1cccc(C)c1 ZINC001567662806 1077043340 /nfs/dbraw/zinc/04/33/40/1077043340.db2.gz NCNTWABNZVADMQ-UHFFFAOYSA-N 0 0 369.509 2.931 20 10 FFCDRN Cc1cc(C(=O)N2CCN(CCO)C(C)(C)C2)c(C)n1-c1ccccc1C ZINC001567665149 1077043506 /nfs/dbraw/zinc/04/35/06/1077043506.db2.gz WTEOEGACVFEINT-UHFFFAOYSA-N 0 0 369.509 2.931 20 10 FFCDRN Cc1ccc(C2=NO[C@@H](CNC(=O)Cc3ccc(O)c(O)c3)C2)cc1C ZINC001568002714 1077065943 /nfs/dbraw/zinc/06/59/43/1077065943.db2.gz HRWHHVHNUVGNCO-MRXNPFEDSA-N 0 0 354.406 2.567 20 10 FFCDRN Cn1nc([C@@H]2CCCOC2)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001568629593 1077103638 /nfs/dbraw/zinc/10/36/38/1077103638.db2.gz RVHJTOWGEHDPKZ-GFCCVEGCSA-N 0 0 356.386 2.729 20 10 FFCDRN CC(=O)Nc1cc(F)ccc1C(=O)NCc1ccc2cccnc2c1O ZINC001570531609 1077213512 /nfs/dbraw/zinc/21/35/12/1077213512.db2.gz KIKBREKMTMSCLS-UHFFFAOYSA-N 0 0 353.353 2.968 20 10 FFCDRN Cn1nccc1[C@H]([NH2+]Cc1ccc(OCc2ccccc2)cc1O)C(=O)[O-] ZINC001574472052 1077997452 /nfs/dbraw/zinc/99/74/52/1077997452.db2.gz GYRSCJHMZHOQHR-IBGZPJMESA-N 0 0 367.405 2.620 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1nc(O)cc(=O)[nH]1 ZINC001585944562 1079516788 /nfs/dbraw/zinc/51/67/88/1079516788.db2.gz DYRZZYACOVHAAX-UHFFFAOYSA-N 0 0 352.394 2.534 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1onc2ccccc21 ZINC001586864524 1079697161 /nfs/dbraw/zinc/69/71/61/1079697161.db2.gz KDSGMIQNNRYIFV-UHFFFAOYSA-N 0 0 369.396 2.858 20 10 FFCDRN CC(C)CNC(=O)C1(NC(=O)c2ccc(N=NC(N)=O)cc2)CCCC1 ZINC001587629760 1079831006 /nfs/dbraw/zinc/83/10/06/1079831006.db2.gz NVPJNPNSTIZKCP-UHFFFAOYSA-N 0 0 359.430 2.664 20 10 FFCDRN COC(=O)c1ccc(C)c2c1N(C(=O)/C=C\c1cnc(OC)nc1)CCC2 ZINC001587908978 1079890294 /nfs/dbraw/zinc/89/02/94/1079890294.db2.gz ZYISRKOBRATZDS-CLFYSBASSA-N 0 0 367.405 2.573 20 10 FFCDRN C[C@H](NC(=O)Nc1ccc(F)cc1-c1nn[nH]n1)c1ccc(N(C)C)cc1 ZINC001589936957 1080881767 /nfs/dbraw/zinc/88/17/67/1080881767.db2.gz SLDHMHFJWLFFET-NSHDSACASA-N 0 0 369.404 2.955 20 10 FFCDRN C[C@@H](NC(=O)Nc1ccc(-c2nn[nH]n2)c(F)c1)c1ccc(N(C)C)cc1 ZINC001589937087 1080882021 /nfs/dbraw/zinc/88/20/21/1080882021.db2.gz NAMRCWCXQJLAJS-LLVKDONJSA-N 0 0 369.404 2.955 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589964345 1080908030 /nfs/dbraw/zinc/90/80/30/1080908030.db2.gz QTXLTIPUJVOJPF-OLZOCXBDSA-N 0 0 351.410 2.789 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589978614 1080917581 /nfs/dbraw/zinc/91/75/81/1080917581.db2.gz VRCBPFGUBVIQRJ-BONVTDFDSA-N 0 0 355.373 2.886 20 10 FFCDRN CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCN(c2ccc(OC)cc2)CC1 ZINC000097653824 132230617 /nfs/dbraw/zinc/23/06/17/132230617.db2.gz VWRMJOXHLWWIGE-ROUUACIJSA-N 0 0 359.514 2.997 20 10 FFCDRN C[C@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1ccc(N2CCOCC2)cc1 ZINC000109190683 132244751 /nfs/dbraw/zinc/24/47/51/132244751.db2.gz XPVZVYWBIDDKKA-HAWMADMCSA-N 0 0 372.490 2.752 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CC[C@](O)(c3ccc(F)cc3)C2)cc1OC ZINC000375030514 512129585 /nfs/dbraw/zinc/12/95/85/512129585.db2.gz LBRBBKDZKOJLCW-GOSISDBHSA-N 0 0 362.357 2.849 20 10 FFCDRN C[NH2+]C[C@@H](C)NCc1cc(Br)cc(Br)c1[O-] ZINC000853249321 750037429 /nfs/dbraw/zinc/03/74/29/750037429.db2.gz PNGPIROLVHPRKH-SSDOTTSWSA-N 0 0 352.070 2.615 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(OC)cc1 ZINC000052851632 506266074 /nfs/dbraw/zinc/26/60/74/506266074.db2.gz DSDRACPDUAEBAX-UHFFFAOYSA-N 0 0 355.438 2.748 20 10 FFCDRN COc1cccc(CNC(=O)N[C@H]2CCN(C(C)=O)c3ccccc32)c1O ZINC000366963615 512271529 /nfs/dbraw/zinc/27/15/29/512271529.db2.gz UWQRHXKVYYEDPP-INIZCTEOSA-N 0 0 369.421 2.698 20 10 FFCDRN COc1ccc(N2CCCN(c3ncc(C(N)=O)cc3Cl)CC2)cc1 ZINC000054123846 506495771 /nfs/dbraw/zinc/49/57/71/506495771.db2.gz SGMBUAQJBSSBAL-UHFFFAOYSA-N 0 0 360.845 2.559 20 10 FFCDRN Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000041365576 506509499 /nfs/dbraw/zinc/50/94/99/506509499.db2.gz IIQZXLGXIIGVPN-UHFFFAOYSA-N 0 0 372.490 2.929 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2CCOCC2)cc1)n1cnc2ccccc21 ZINC000054284285 506529063 /nfs/dbraw/zinc/52/90/63/506529063.db2.gz WTPOJWJWECZPCB-MRXNPFEDSA-N 0 0 364.449 2.750 20 10 FFCDRN COc1cc(CC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1C ZINC000054284637 506530016 /nfs/dbraw/zinc/53/00/16/506530016.db2.gz GTBMHQZQQYAPNC-UHFFFAOYSA-N 0 0 354.450 2.699 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2nccnc2c1 ZINC000016134653 507075912 /nfs/dbraw/zinc/07/59/12/507075912.db2.gz DINSOPFRNMAVIF-UHFFFAOYSA-N 0 0 362.433 2.739 20 10 FFCDRN C[C@H](c1cccnc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000068404727 507217609 /nfs/dbraw/zinc/21/76/09/507217609.db2.gz GQSSMKXFOJCSDM-MRXNPFEDSA-N 0 0 354.454 2.821 20 10 FFCDRN CCS(=O)(=O)c1ccc(C(=O)NCc2ccc(N(C)C)c(F)c2)cc1 ZINC000058734219 507458720 /nfs/dbraw/zinc/45/87/20/507458720.db2.gz BWHSMTMQYDWDDI-UHFFFAOYSA-N 0 0 364.442 2.615 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(N3CCOC3=O)cc2)cc1F ZINC000069914562 507582230 /nfs/dbraw/zinc/58/22/30/507582230.db2.gz JUUGPXUEENTRLM-UHFFFAOYSA-N 0 0 357.385 2.778 20 10 FFCDRN Cc1c(CO)cc([N+](=O)[O-])c(NCc2ccc(N(C)C)cc2)c1[N+](=O)[O-] ZINC000028624884 507731109 /nfs/dbraw/zinc/73/11/09/507731109.db2.gz FPNCJMICOYYILF-UHFFFAOYSA-N 0 0 360.370 2.982 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N(C)C)cc1)c1ccc(-n2cncn2)cc1 ZINC000031727281 507821307 /nfs/dbraw/zinc/82/13/07/507821307.db2.gz KRUXNRDZIHSMGA-HNNXBMFYSA-N 0 0 364.453 2.894 20 10 FFCDRN COc1cccc(CN[C@H](c2noc(C)n2)c2ccccc2OC)c1O ZINC000073008021 507884013 /nfs/dbraw/zinc/88/40/13/507884013.db2.gz ZEJKYQGIOPWEQA-KRWDZBQOSA-N 0 0 355.394 2.980 20 10 FFCDRN NC(=O)c1cc(CNCc2ccc3c(c2)CCN3Cc2ccccc2)on1 ZINC000377633728 512368000 /nfs/dbraw/zinc/36/80/00/512368000.db2.gz ZRCMXNAOFGXJCC-UHFFFAOYSA-N 0 0 362.433 2.626 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1c2ccccc2C[C@@H]1O ZINC000079158400 507939172 /nfs/dbraw/zinc/93/91/72/507939172.db2.gz CYPHWBBQQJBLLI-PMACEKPBSA-N 0 0 351.450 2.744 20 10 FFCDRN CCCc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)n(C)n1 ZINC000091036127 507944962 /nfs/dbraw/zinc/94/49/62/507944962.db2.gz WBKHTPOQSQLMDP-UHFFFAOYSA-N 0 0 357.458 2.531 20 10 FFCDRN Cc1cncc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1 ZINC000079878763 508010356 /nfs/dbraw/zinc/01/03/56/508010356.db2.gz WIEAYBJLMRMJHH-UHFFFAOYSA-N 0 0 366.465 2.977 20 10 FFCDRN CS(=O)(=O)c1cccc(C(=O)NCc2c(O)ccc3c2CCCC3)c1 ZINC000075160028 508086905 /nfs/dbraw/zinc/08/69/05/508086905.db2.gz DHLVGEQTKLANAZ-UHFFFAOYSA-N 0 0 359.447 2.605 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccnc1 ZINC000080655128 508091777 /nfs/dbraw/zinc/09/17/77/508091777.db2.gz FUXUKSYAQDOQRO-CQSZACIVSA-N 0 0 357.429 2.602 20 10 FFCDRN O=C(CC[C@H]1CCCCO1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000111571648 508108723 /nfs/dbraw/zinc/10/87/23/508108723.db2.gz JBCDZSYVZPNIFR-HXUWFJFHSA-N 0 0 360.498 2.861 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCCc3ccccc32)c1 ZINC000094106770 508169759 /nfs/dbraw/zinc/16/97/59/508169759.db2.gz KSARMAUHLHOOMT-UHFFFAOYSA-N 0 0 360.435 2.747 20 10 FFCDRN CC(=O)c1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000076562878 508224689 /nfs/dbraw/zinc/22/46/89/508224689.db2.gz OIYPIMXNRJOKML-UHFFFAOYSA-N 0 0 366.417 2.729 20 10 FFCDRN Cc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1C ZINC000097681227 508227855 /nfs/dbraw/zinc/22/78/55/508227855.db2.gz GYBBRCBAFMNBCD-UHFFFAOYSA-N 0 0 358.463 2.791 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](C(=O)NCCc2ccc(O)c(O)c2)C(C)C)cc1 ZINC000098074696 508233645 /nfs/dbraw/zinc/23/36/45/508233645.db2.gz WZNDKYBAJQPZBA-LJQANCHMSA-N 0 0 370.449 2.520 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSCc1ccncc1 ZINC000077678551 508349175 /nfs/dbraw/zinc/34/91/75/508349175.db2.gz NCIUNQWPKDQQQU-UHFFFAOYSA-N 0 0 371.506 2.810 20 10 FFCDRN CCCC[C@H](COC)NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000077796862 508375786 /nfs/dbraw/zinc/37/57/86/508375786.db2.gz RJMZRKZMXRINMK-GOSISDBHSA-N 0 0 363.502 2.870 20 10 FFCDRN CO[C@@](C)(C(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000106750325 508404126 /nfs/dbraw/zinc/40/41/26/508404126.db2.gz KQLQJXUPEPYPNG-OAQYLSRUSA-N 0 0 354.450 2.701 20 10 FFCDRN Cc1cc(C(=O)N(CCO)Cc2cccnc2)c(C)n1-c1ccccn1 ZINC000152383573 508435229 /nfs/dbraw/zinc/43/52/29/508435229.db2.gz OVBQDIQAQSCIGB-UHFFFAOYSA-N 0 0 350.422 2.519 20 10 FFCDRN CC[C@@H](C)NC(=O)CC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1 ZINC000156588450 508445474 /nfs/dbraw/zinc/44/54/74/508445474.db2.gz VLNILBMGOMHFRY-CABCVRRESA-N 0 0 351.466 2.618 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@H](c2ccccc2)N2CCCCC2=O)cc1 ZINC000152529747 508464703 /nfs/dbraw/zinc/46/47/03/508464703.db2.gz PUAAVBHMISMTIE-FQEVSTJZSA-N 0 0 351.450 2.681 20 10 FFCDRN Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000116056477 508466432 /nfs/dbraw/zinc/46/64/32/508466432.db2.gz XOQCAQSMSHBQPG-UHFFFAOYSA-N 0 0 371.441 2.749 20 10 FFCDRN O=C(NC1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1)C1CCCC1 ZINC000156730918 508469052 /nfs/dbraw/zinc/46/90/52/508469052.db2.gz UANPTEDCBUJIPL-UHFFFAOYSA-N 0 0 374.481 2.622 20 10 FFCDRN C[C@H](NCc1nncn1-c1ccccc1)c1ccc(N2CCOCC2)cc1 ZINC000152614541 508479465 /nfs/dbraw/zinc/47/94/65/508479465.db2.gz NNRUDHFAXQXTSB-KRWDZBQOSA-N 0 0 363.465 2.955 20 10 FFCDRN COc1ccc(N2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)cc1F ZINC000122097103 508480010 /nfs/dbraw/zinc/48/00/10/508480010.db2.gz SNMSUCHBSDJURV-UHFFFAOYSA-N 0 0 371.456 2.858 20 10 FFCDRN Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(N)=O)c(C)n1-c1ccccn1 ZINC000127689940 508486505 /nfs/dbraw/zinc/48/65/05/508486505.db2.gz VZUKWKVCBPPXDR-IBGZPJMESA-N 0 0 374.444 2.542 20 10 FFCDRN COCCc1noc(CN(C)C(=O)c2sccc2-n2c(C)ccc2C)n1 ZINC000152762852 508511079 /nfs/dbraw/zinc/51/10/79/508511079.db2.gz JEHBMVXJTOCBMD-UHFFFAOYSA-N 0 0 374.466 3.000 20 10 FFCDRN CS[C@H]1CCC[C@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)C1 ZINC000117484363 508601440 /nfs/dbraw/zinc/60/14/40/508601440.db2.gz QKUZXAHVOYQMGM-WMZOPIPTSA-N 0 0 363.527 2.997 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000153673067 508622738 /nfs/dbraw/zinc/62/27/38/508622738.db2.gz AKRYHLZJFFYKQN-UKYQANBESA-N 0 0 368.477 2.610 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CCc2nc(-c3ccoc3)no2)cc1 ZINC000159008836 508780159 /nfs/dbraw/zinc/78/01/59/508780159.db2.gz AQHKWSZIBUCWHF-UHFFFAOYSA-N 0 0 354.410 2.987 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000159073636 508789650 /nfs/dbraw/zinc/78/96/50/508789650.db2.gz REPMLUNPCPYCOC-CQSZACIVSA-N 0 0 360.845 2.861 20 10 FFCDRN O[C@H](COC1CCOCC1)CN1CCCc2cc(OC(F)F)ccc21 ZINC000154571779 508812118 /nfs/dbraw/zinc/81/21/18/508812118.db2.gz ZPSCXUPCQBBUCW-AWEZNQCLSA-N 0 0 357.397 2.597 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC([C@H](C)O)CC2)cc1F ZINC000159480484 508847858 /nfs/dbraw/zinc/84/78/58/508847858.db2.gz GFNXUPUQQKXFQL-AWEZNQCLSA-N 0 0 351.466 2.974 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H](CCO)c1ccccc1 ZINC000150887325 508916248 /nfs/dbraw/zinc/91/62/48/508916248.db2.gz KQSNPZHWIHTVBP-OGECGYFKSA-N 0 0 366.461 2.776 20 10 FFCDRN Cc1nc(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)sc1C ZINC000131420396 508929233 /nfs/dbraw/zinc/92/92/33/508929233.db2.gz OEBFRGWJGCOHHY-UHFFFAOYSA-N 0 0 374.510 2.638 20 10 FFCDRN CC(=O)N(C)C1CCN(C(=O)c2cc(C)n(-c3ccccn3)c2C)CC1 ZINC000120170401 508942182 /nfs/dbraw/zinc/94/21/82/508942182.db2.gz UJZYIUOFVJZWEK-UHFFFAOYSA-N 0 0 354.454 2.572 20 10 FFCDRN Cc1cc(C(=O)NCC2(CO)COC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000151179151 508973190 /nfs/dbraw/zinc/97/31/90/508973190.db2.gz KFRXQTYINGTXEL-UHFFFAOYSA-N 0 0 356.466 2.956 20 10 FFCDRN Cc1nc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)s1 ZINC000155377613 508988216 /nfs/dbraw/zinc/98/82/16/508988216.db2.gz BAZGEEGBTFARIK-UHFFFAOYSA-N 0 0 363.458 2.595 20 10 FFCDRN Cc1ccn(C)c(=O)c1NC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000155510306 509016323 /nfs/dbraw/zinc/01/63/23/509016323.db2.gz BVNIECCAPNABQC-INIZCTEOSA-N 0 0 371.437 2.612 20 10 FFCDRN COc1cccc(CNC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)c1O ZINC000155578794 509030401 /nfs/dbraw/zinc/03/04/01/509030401.db2.gz XMDUAJJCSWWKDD-QGZVFWFLSA-N 0 0 368.433 2.712 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)c(F)c1 ZINC000125848646 509036598 /nfs/dbraw/zinc/03/65/98/509036598.db2.gz UBTLKVZLJLCGKS-UHFFFAOYSA-N 0 0 360.385 2.917 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NC[C@H](O)c1ccccc1F ZINC000126261845 509075394 /nfs/dbraw/zinc/07/53/94/509075394.db2.gz PITBVDAFELIWOJ-OSICKASQSA-N 0 0 370.424 2.525 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@H]([C@H]3CCCO3)C2)c(C)n1-c1ccccn1 ZINC000151743562 509075459 /nfs/dbraw/zinc/07/54/59/509075459.db2.gz RSUBPCKJVRMMBU-QZTJIDSGSA-N 0 0 355.438 2.509 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCC(C)(C)NC(=O)OC(C)(C)C ZINC000266783174 509192051 /nfs/dbraw/zinc/19/20/51/509192051.db2.gz YGOAIZMWCWRKAV-UHFFFAOYSA-N 0 0 351.447 2.837 20 10 FFCDRN COc1cc(N2CCN(C(=O)c3oc(C)cc3C)CC2)cc(OC)c1OC ZINC000185495840 509205486 /nfs/dbraw/zinc/20/54/86/509205486.db2.gz HJPYFGXHKZIZRO-UHFFFAOYSA-N 0 0 374.437 2.885 20 10 FFCDRN COC(=O)Nc1cccc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 ZINC000264045083 509301251 /nfs/dbraw/zinc/30/12/51/509301251.db2.gz ZCSQBTBTPJZNLG-UHFFFAOYSA-N 0 0 369.421 2.836 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC(=O)N3CCCCC3)ccc21 ZINC000264054776 509306669 /nfs/dbraw/zinc/30/66/69/509306669.db2.gz UPHSXAAOZQVHOQ-UHFFFAOYSA-N 0 0 371.481 2.647 20 10 FFCDRN COC(=O)CCOc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1 ZINC000264209281 509384714 /nfs/dbraw/zinc/38/47/14/509384714.db2.gz 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FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(F)c(OC)c2)cc1 ZINC000187346738 510210030 /nfs/dbraw/zinc/21/00/30/510210030.db2.gz FRKCYEQECSIPRP-UHFFFAOYSA-N 0 0 373.428 2.935 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CCc3ccccc3)cc2)CC1 ZINC000190578639 510219749 /nfs/dbraw/zinc/21/97/49/510219749.db2.gz ZBYBCOQIKXXBMH-UHFFFAOYSA-N 0 0 365.477 2.604 20 10 FFCDRN CO[C@@H](C)CCC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000181088028 510272058 /nfs/dbraw/zinc/27/20/58/510272058.db2.gz UZHMKEXXRMZMAW-ZDUSSCGKSA-N 0 0 374.403 2.973 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c2C)cc1 ZINC000184372534 510290435 /nfs/dbraw/zinc/29/04/35/510290435.db2.gz XTWCYOMSQDJSLI-SXBQZSJRSA-N 0 0 362.495 2.942 20 10 FFCDRN Cc1cc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccc(F)cc1 ZINC000181177711 510291473 /nfs/dbraw/zinc/29/14/73/510291473.db2.gz LDYSPIBQTMEZMT-OAHLLOKOSA-N 0 0 369.440 2.974 20 10 FFCDRN C[C@@H](COCC(F)(F)F)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265926735 510305371 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FFCDRN Cc1ccc([C@@H]2COCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000172098201 510543954 /nfs/dbraw/zinc/54/39/54/510543954.db2.gz KHKRVRSJVDFWKQ-IBGZPJMESA-N 0 0 371.481 2.686 20 10 FFCDRN Cc1ncc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C(C)C)n1 ZINC000172103925 510545196 /nfs/dbraw/zinc/54/51/96/510545196.db2.gz IILFASPXPGBMAI-UHFFFAOYSA-N 0 0 372.444 2.814 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)c1O ZINC000266434701 510585642 /nfs/dbraw/zinc/58/56/42/510585642.db2.gz JPJJKPKLAQEMOS-HUUCEWRRSA-N 0 0 355.390 2.592 20 10 FFCDRN O=C(/C=C/c1cnccn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266459729 510600542 /nfs/dbraw/zinc/60/05/42/510600542.db2.gz YFCKNFKCHKGEDW-WEJQMCOXSA-N 0 0 374.391 2.876 20 10 FFCDRN CCc1ccsc1C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1 ZINC000188123341 510605762 /nfs/dbraw/zinc/60/57/62/510605762.db2.gz LYZXLHZUGSJZID-UHFFFAOYSA-N 0 0 371.506 2.909 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)c(O)c1O ZINC000181820591 510610976 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Cc1ccc(C(=O)N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c(O)c1O ZINC000181964524 510680703 /nfs/dbraw/zinc/68/07/03/510680703.db2.gz YRUCWFHMPYNKRE-CYBMUJFWSA-N 0 0 360.454 2.517 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCS3)cc2F)C[C@H](C)O1 ZINC000266631786 510699406 /nfs/dbraw/zinc/69/94/06/510699406.db2.gz WYNCMARCYKJZCK-AHIWAGSCSA-N 0 0 352.475 2.951 20 10 FFCDRN COC(=O)[C@@H]1CCC[C@H](C(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000246850362 510709624 /nfs/dbraw/zinc/70/96/24/510709624.db2.gz DXTCPCJIICABKR-DLBZAZTESA-N 0 0 374.481 2.713 20 10 FFCDRN CCc1nn(C)c(CC)c1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000188483014 510790510 /nfs/dbraw/zinc/79/05/10/510790510.db2.gz FJBFIXDCMDMWRL-UHFFFAOYSA-N 0 0 356.470 2.579 20 10 FFCDRN O=C(NCc1cccc(NC(=O)[C@H]2CCCO2)c1)NCc1ccccc1O ZINC000263791781 510841788 /nfs/dbraw/zinc/84/17/88/510841788.db2.gz YLNXUALBFHPRKV-GOSISDBHSA-N 0 0 369.421 2.509 20 10 FFCDRN CO[C@@H](C)CCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000263815197 510848272 /nfs/dbraw/zinc/84/82/72/510848272.db2.gz IGUHNHYSPIAFHS-SOUVJXGZSA-N 0 0 367.465 2.664 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1cccc(F)n1 ZINC000285359264 510876246 /nfs/dbraw/zinc/87/62/46/510876246.db2.gz UJAXAXGNULDQMC-UHFFFAOYSA-N 0 0 358.417 2.662 20 10 FFCDRN COc1cc(OC)c(C[C@H](C)NC(=O)NCc2ccccc2O)c(OC)c1 ZINC000297284208 510885871 /nfs/dbraw/zinc/88/58/71/510885871.db2.gz ZSRMVZSLYBLYRB-ZDUSSCGKSA-N 0 0 374.437 2.848 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)Cc3cncs3)cc2F)C[C@H](C)O1 ZINC000275458805 510901278 /nfs/dbraw/zinc/90/12/78/510901278.db2.gz MHUPHQLJKQIJEX-STQMWFEESA-N 0 0 363.458 2.755 20 10 FFCDRN COc1cc(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)ccc1F ZINC000275461620 510901627 /nfs/dbraw/zinc/90/16/27/510901627.db2.gz JMMJUVDWBLFVEA-UHFFFAOYSA-N 0 0 371.412 2.755 20 10 FFCDRN Cc1cc(O)cc(=O)n1CCC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000275785374 510917571 /nfs/dbraw/zinc/91/75/71/510917571.db2.gz XZSRRBYGKTUKCT-UHFFFAOYSA-N 0 0 371.481 2.756 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)Cc1ccoc1C ZINC000297387285 510926109 /nfs/dbraw/zinc/92/61/09/510926109.db2.gz AEPOLZPFCAERFM-UHFFFAOYSA-N 0 0 357.454 2.661 20 10 FFCDRN CCCOc1ccccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000276162995 510928731 /nfs/dbraw/zinc/92/87/31/510928731.db2.gz RXFCXMOHONYWIQ-ZDUSSCGKSA-N 0 0 372.421 2.573 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C=C(C3CC3)C3CC3)cc2)CC1 ZINC000276304173 510932245 /nfs/dbraw/zinc/93/22/45/510932245.db2.gz RLINPDUQKPYBBF-UHFFFAOYSA-N 0 0 367.493 2.718 20 10 FFCDRN CC(C)(C)c1cc(NC(=O)NCc2ccccc2O)n(-c2ncccn2)n1 ZINC000276466561 510938990 /nfs/dbraw/zinc/93/89/90/510938990.db2.gz MPDGPLCPUJRJTB-UHFFFAOYSA-N 0 0 366.425 2.987 20 10 FFCDRN CCOc1cccc(CN[C@@H](C(=O)OC)c2ccc(OC)c(O)c2)c1O ZINC000276700585 510945915 /nfs/dbraw/zinc/94/59/15/510945915.db2.gz BGMOSSJWFGDBPM-QGZVFWFLSA-N 0 0 361.394 2.509 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCN(Cc2ccc(F)cc2)C1=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000276907084 510949685 /nfs/dbraw/zinc/94/96/85/510949685.db2.gz OGTXLPTWSLGSIX-SJKOYZFVSA-N 0 0 373.384 2.891 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Nc3cnns3)cc2F)C[C@@H](C)O1 ZINC000277160268 510955999 /nfs/dbraw/zinc/95/59/99/510955999.db2.gz XGEOEOCNNBYQPF-GHMZBOCLSA-N 0 0 365.434 2.613 20 10 FFCDRN CC1(C)[C@H](NC(=O)NCc2cccc(Br)c2O)[C@H]2CCO[C@@H]21 ZINC000277481214 510963354 /nfs/dbraw/zinc/96/33/54/510963354.db2.gz PQRDWTOOBRTYEF-HONMWMINSA-N 0 0 369.259 2.767 20 10 FFCDRN O=C(NCC[C@@H]1CCCCO1)NCc1cccc(Br)c1O ZINC000277458588 510963534 /nfs/dbraw/zinc/96/35/34/510963534.db2.gz NVFWSQOTBLUMKE-LBPRGKRZSA-N 0 0 357.248 2.913 20 10 FFCDRN O=C1NC2(CCCCCC2)C(=O)N1Cc1ccc(N2CCOCC2)cc1 ZINC000277498665 510964634 /nfs/dbraw/zinc/96/46/34/510964634.db2.gz WNAKJGRWLRRQSD-UHFFFAOYSA-N 0 0 357.454 2.668 20 10 FFCDRN CC(C)(C)OC(=O)NCCC(=O)NCc1cccc(Br)c1O ZINC000277604051 510967207 /nfs/dbraw/zinc/96/72/07/510967207.db2.gz UOPCZJKQNMECMU-UHFFFAOYSA-N 0 0 373.247 2.686 20 10 FFCDRN CN(c1ccc(CN2C(=O)N[C@]3(CCOC3)C2=O)cc1)C1CCCCC1 ZINC000277851171 510975031 /nfs/dbraw/zinc/97/50/31/510975031.db2.gz NTWJRCGKKYKDSC-FQEVSTJZSA-N 0 0 357.454 2.666 20 10 FFCDRN Cc1c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)sc2nccn12 ZINC000270758110 510975926 /nfs/dbraw/zinc/97/59/26/510975926.db2.gz WVYQILSRNNJZMQ-UHFFFAOYSA-N 0 0 374.441 2.610 20 10 FFCDRN CC(C)(C)OC(=O)CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000278041069 510979888 /nfs/dbraw/zinc/97/98/88/510979888.db2.gz WCLKAEKEPCDSLG-UHFFFAOYSA-N 0 0 368.817 2.542 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000278128043 510982218 /nfs/dbraw/zinc/98/22/18/510982218.db2.gz NSOFYPRHYLUMMR-SQWLQELKSA-N 0 0 364.829 2.767 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(CS(C)(=O)=O)CC2)cc1 ZINC000294191096 510985827 /nfs/dbraw/zinc/98/58/27/510985827.db2.gz NFUJLGMQGMBLMA-UHFFFAOYSA-N 0 0 374.506 2.991 20 10 FFCDRN COc1c(O)c(CN(C)Cc2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278269925 510986379 /nfs/dbraw/zinc/98/63/79/510986379.db2.gz RKLVOXGKUNFIFN-VWLOTQADSA-N 0 0 364.423 2.678 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000278309752 510988156 /nfs/dbraw/zinc/98/81/56/510988156.db2.gz DVOHRAGTLPDWOI-WBVHZDCISA-N 0 0 357.410 2.844 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(NC(C)=O)c(F)c3)CC2)cc1 ZINC000278413546 510991984 /nfs/dbraw/zinc/99/19/84/510991984.db2.gz PWVCATDFQRQIOA-UHFFFAOYSA-N 0 0 371.412 2.755 20 10 FFCDRN COC[C@H](OC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000278403186 510992242 /nfs/dbraw/zinc/99/22/42/510992242.db2.gz GVQADSRWJPKHBN-PFWMLDTASA-N 0 0 374.462 2.924 20 10 FFCDRN CC[C@H](NC(=O)c1cc(C)n(-c2ccccn2)c1C)[C@H](O)C(F)(F)F ZINC000270879517 511013022 /nfs/dbraw/zinc/01/30/22/511013022.db2.gz OEULFLUVEAXKRL-ZFWWWQNUSA-N 0 0 355.360 2.921 20 10 FFCDRN O=C(c1ccc(CO)c(F)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000278944355 511014589 /nfs/dbraw/zinc/01/45/89/511014589.db2.gz UZWKSZGLHWBTJV-KRWDZBQOSA-N 0 0 359.397 2.845 20 10 FFCDRN CCNC(=O)Nc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1C ZINC000278946315 511014799 /nfs/dbraw/zinc/01/47/99/511014799.db2.gz JIEPEVZLSSFMSV-UHFFFAOYSA-N 0 0 372.425 2.912 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1nc(Cl)cs1 ZINC000279065258 511018401 /nfs/dbraw/zinc/01/84/01/511018401.db2.gz PROUCDUJZCPOSY-UHFFFAOYSA-N 0 0 365.886 2.935 20 10 FFCDRN CC(C)N1C(=S)N=NC1[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1 ZINC000279258355 511022636 /nfs/dbraw/zinc/02/26/36/511022636.db2.gz IZDOTQZXRNVGSD-LLVKDONJSA-N 0 0 362.455 2.579 20 10 FFCDRN C[C@@H]1COCC[C@@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000286690022 511030588 /nfs/dbraw/zinc/03/05/88/511030588.db2.gz CXUKZCUKZBLYDR-GHMZBOCLSA-N 0 0 357.248 2.627 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cccnc2C(F)(F)F)cc1 ZINC000286715564 511031455 /nfs/dbraw/zinc/03/14/55/511031455.db2.gz RZNGRDMSZBXEOZ-UHFFFAOYSA-N 0 0 359.373 2.645 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cccc(-n2cncn2)c1 ZINC000361503583 511060727 /nfs/dbraw/zinc/06/07/27/511060727.db2.gz NVJVGDVZPQMOTI-UHFFFAOYSA-N 0 0 374.448 2.643 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H]1CCCN(C(N)=O)C1 ZINC000288023244 511062631 /nfs/dbraw/zinc/06/26/31/511062631.db2.gz CTYJMXQNVXRQFX-CQSZACIVSA-N 0 0 360.483 2.676 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CN1CCc2ccccc2C1=O ZINC000279385756 511064264 /nfs/dbraw/zinc/06/42/64/511064264.db2.gz GRICUIYBMYCLKD-UHFFFAOYSA-N 0 0 352.434 2.829 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cn(CCc3ccccc3)nn2)cc1 ZINC000294462227 511072740 /nfs/dbraw/zinc/07/27/40/511072740.db2.gz PNYCHDWHPIMXLA-UHFFFAOYSA-N 0 0 363.465 2.859 20 10 FFCDRN COC1CCN(C(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)CC1 ZINC000297803975 511073768 /nfs/dbraw/zinc/07/37/68/511073768.db2.gz JGFGESXNSBRMLM-UHFFFAOYSA-N 0 0 374.481 2.691 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCc1ccncc1OC[C@@H]1CCOC1 ZINC000288781533 511086352 /nfs/dbraw/zinc/08/63/52/511086352.db2.gz HIJVEQOARRFKAO-OAHLLOKOSA-N 0 0 371.437 2.544 20 10 FFCDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000288824980 511087498 /nfs/dbraw/zinc/08/74/98/511087498.db2.gz VHAXNISMNLVZCL-HEWZJLJBSA-N 0 0 362.426 2.628 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H](C)c1c(C)noc1C ZINC000289198902 511095646 /nfs/dbraw/zinc/09/56/46/511095646.db2.gz SQLDLNKTYMMQJH-ZDUSSCGKSA-N 0 0 373.453 2.656 20 10 FFCDRN Cc1cc(C(=O)NCc2ccnc(-n3cccn3)c2)c(C)n1-c1ccccn1 ZINC000361830780 511100463 /nfs/dbraw/zinc/10/04/63/511100463.db2.gz PMGMGAPIDLRYTR-UHFFFAOYSA-N 0 0 372.432 3.000 20 10 FFCDRN CO[C@H](Cc1ccccc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000294562340 511104719 /nfs/dbraw/zinc/10/47/19/511104719.db2.gz WSFJTYRIESGNOK-OAQYLSRUSA-N 0 0 368.477 2.739 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H](C)c1ncc(C)s1 ZINC000289903825 511120290 /nfs/dbraw/zinc/12/02/90/511120290.db2.gz YRIQGHGSYGPRRK-CQSZACIVSA-N 0 0 374.510 2.743 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)C[C@H]1CCCCO1 ZINC000298028647 511149716 /nfs/dbraw/zinc/14/97/16/511149716.db2.gz NIXQRKNKZSOIRI-QGZVFWFLSA-N 0 0 362.470 2.548 20 10 FFCDRN COc1ccc([C@@H](OC)[C@H](C)NC(=O)NCc2cccc(OC)c2O)cc1 ZINC000271370806 511180805 /nfs/dbraw/zinc/18/08/05/511180805.db2.gz JHZDVZLQUBYYQX-DJJJIMSYSA-N 0 0 374.437 2.985 20 10 FFCDRN COc1cc(O)c(CNc2ccccc2CN2CCOCC2)cc1OC ZINC000294857146 511200732 /nfs/dbraw/zinc/20/07/32/511200732.db2.gz VIYZTPBFHCBKPY-UHFFFAOYSA-N 0 0 358.438 2.854 20 10 FFCDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2O)C1 ZINC000294871699 511205704 /nfs/dbraw/zinc/20/57/04/511205704.db2.gz DWNAPSAQUFHFSV-QWRGUYRKSA-N 0 0 368.405 2.612 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(O)c1O ZINC000279787716 511215382 /nfs/dbraw/zinc/21/53/82/511215382.db2.gz IDOBPALXCJKWBX-OLZOCXBDSA-N 0 0 362.426 2.712 20 10 FFCDRN CCN(CC)C(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2O)cc1 ZINC000294941072 511229507 /nfs/dbraw/zinc/22/95/07/511229507.db2.gz VGUDRYRACORBDT-UHFFFAOYSA-N 0 0 360.385 2.649 20 10 FFCDRN CC(C)(C)c1n[nH]cc1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000295039079 511260285 /nfs/dbraw/zinc/26/02/85/511260285.db2.gz PGONFFNCTFYYLL-UHFFFAOYSA-N 0 0 370.497 2.846 20 10 FFCDRN COC[C@@H](CO)NC(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1 ZINC000279917802 511266747 /nfs/dbraw/zinc/26/67/47/511266747.db2.gz HEOCISIAPQBZTN-UCMDFWOYSA-N 0 0 356.426 2.905 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000291645901 511281356 /nfs/dbraw/zinc/28/13/56/511281356.db2.gz UETSBYGAOBJMBN-HNAYVOBHSA-N 0 0 358.394 2.565 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(NC(C)=O)nc1 ZINC000280051831 511317533 /nfs/dbraw/zinc/31/75/33/511317533.db2.gz PBEZDRKYPAGKOV-UHFFFAOYSA-N 0 0 369.469 2.838 20 10 FFCDRN COC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(OC)c(OC)cc1O ZINC000271774489 511319793 /nfs/dbraw/zinc/31/97/93/511319793.db2.gz FXYVWZISTDUXIQ-INIZCTEOSA-N 0 0 357.406 2.509 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)c2ccc3c(c2)OCCO3)s1 ZINC000295289391 511349338 /nfs/dbraw/zinc/34/93/38/511349338.db2.gz LHNCHIAARVBURR-UHFFFAOYSA-N 0 0 351.405 2.676 20 10 FFCDRN CS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC000295376201 511382753 /nfs/dbraw/zinc/38/27/53/511382753.db2.gz SSXSXMXNFCOUDH-UHFFFAOYSA-N 0 0 366.464 2.736 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C)cnc1OC ZINC000283482424 511384033 /nfs/dbraw/zinc/38/40/33/511384033.db2.gz CGMIPCLCFGKBFD-UHFFFAOYSA-N 0 0 371.437 2.872 20 10 FFCDRN C[C@@]12CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C[C@@H]1C2(F)F ZINC000291995734 511421842 /nfs/dbraw/zinc/42/18/42/511421842.db2.gz QWGFUPIHDDLNMT-FUHWJXTLSA-N 0 0 365.424 2.710 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)COC(C)(C)C)cc2F)C[C@H](C)O1 ZINC000272121917 511439202 /nfs/dbraw/zinc/43/92/02/511439202.db2.gz SGYRYWJZMFHAPM-OKILXGFUSA-N 0 0 352.450 2.871 20 10 FFCDRN Cc1nccn1CCCNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000298954205 511464709 /nfs/dbraw/zinc/46/47/09/511464709.db2.gz LSCFPNDKAKJPED-GOSISDBHSA-N 0 0 372.469 2.678 20 10 FFCDRN Cc1c(NC(=O)NCCc2ccc(O)c(O)c2)noc1-c1ccccc1F ZINC000365462350 511465824 /nfs/dbraw/zinc/46/58/24/511465824.db2.gz KCHCPUHYKTVXEC-UHFFFAOYSA-N 0 0 371.368 2.986 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC)nc1 ZINC000283714834 511473016 /nfs/dbraw/zinc/47/30/16/511473016.db2.gz WVWANRDCRRVMMQ-UHFFFAOYSA-N 0 0 357.410 2.563 20 10 FFCDRN COc1ccc(N2CCN(Cc3cccc(C(=O)N(C)C)c3)CC2)cc1 ZINC000299002645 511480862 /nfs/dbraw/zinc/48/08/62/511480862.db2.gz BHCXVHPIEHFCRU-UHFFFAOYSA-N 0 0 353.466 2.719 20 10 FFCDRN Cc1nn(C(C)C)c(C)c1CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000292165611 511490954 /nfs/dbraw/zinc/49/09/54/511490954.db2.gz LEMZOJWRAZGHLD-UHFFFAOYSA-N 0 0 370.497 2.776 20 10 FFCDRN Cc1ccc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000299034720 511492215 /nfs/dbraw/zinc/49/22/15/511492215.db2.gz OGVQMBRFTQXCTK-UHFFFAOYSA-N 0 0 368.481 2.598 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(OCC(N)=O)cc1 ZINC000299078390 511506148 /nfs/dbraw/zinc/50/61/48/511506148.db2.gz RQVXTGJCVMPKLP-UHFFFAOYSA-N 0 0 369.465 2.668 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)NC(=O)c1ccco1 ZINC000299093121 511511943 /nfs/dbraw/zinc/51/19/43/511511943.db2.gz UREUZFZMMNWHLZ-HNNXBMFYSA-N 0 0 357.454 2.901 20 10 FFCDRN Cc1ccnc(OC2CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC2)c1 ZINC000272913043 511512423 /nfs/dbraw/zinc/51/24/23/511512423.db2.gz LVQXOQGLNJXYFQ-HWKANZROSA-N 0 0 354.406 2.884 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000273190458 511520101 /nfs/dbraw/zinc/52/01/01/511520101.db2.gz PROCNCMAMQFACA-TZMCWYRMSA-N 0 0 364.442 2.545 20 10 FFCDRN CC(=O)Nc1ccncc1NC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000273268920 511521889 /nfs/dbraw/zinc/52/18/89/511521889.db2.gz HBDUPYKWFSXVNA-QPJJXVBHSA-N 0 0 366.421 2.529 20 10 FFCDRN O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccc2c(c1)CCC2 ZINC000299120569 511522313 /nfs/dbraw/zinc/52/23/13/511522313.db2.gz IVRUCFAFDFLCBX-UHFFFAOYSA-N 0 0 370.474 2.662 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000273349423 511522840 /nfs/dbraw/zinc/52/28/40/511522840.db2.gz BISZDKFWHNTEHE-LBPRGKRZSA-N 0 0 362.451 2.711 20 10 FFCDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(NCc2cc(OC)ccc2O)cc1 ZINC000280590909 511523390 /nfs/dbraw/zinc/52/33/90/511523390.db2.gz BHSRNKZXAGLAFL-CYBMUJFWSA-N 0 0 372.421 2.694 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@H](CO)Cc2c[nH]c3ccccc23)c1 ZINC000273361749 511523614 /nfs/dbraw/zinc/52/36/14/511523614.db2.gz ANDQPQBFKKXTLU-BBRMVZONSA-N 0 0 368.433 2.914 20 10 FFCDRN C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273416948 511525044 /nfs/dbraw/zinc/52/50/44/511525044.db2.gz QZCQIYOBHCRTLO-ZDUSSCGKSA-N 0 0 364.423 2.566 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(-n2cncn2)c1 ZINC000299148725 511532254 /nfs/dbraw/zinc/53/22/54/511532254.db2.gz WSLHQJUSGIRCAJ-UHFFFAOYSA-N 0 0 364.453 2.779 20 10 FFCDRN C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273559512 511534576 /nfs/dbraw/zinc/53/45/76/511534576.db2.gz HTUYTJONEXNDET-ZDUSSCGKSA-N 0 0 359.430 2.902 20 10 FFCDRN COc1ccc(N2CC[NH+](CCCN[C@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000295847726 511534785 /nfs/dbraw/zinc/53/47/85/511534785.db2.gz FXZANWSCZGQLEJ-PXNSSMCTSA-N 0 0 369.513 2.699 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2OC)c1 ZINC000273594206 511545430 /nfs/dbraw/zinc/54/54/30/511545430.db2.gz QCHBVSWRZVUFQU-LLVKDONJSA-N 0 0 360.366 2.946 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C[NH+]2CCC(c3ccccn3)CC2)cc1 ZINC000363446107 511557504 /nfs/dbraw/zinc/55/75/04/511557504.db2.gz GHVITDMGFGEBOZ-UHFFFAOYSA-N 0 0 366.509 2.986 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCc2occc21 ZINC000283973329 511561562 /nfs/dbraw/zinc/56/15/62/511561562.db2.gz GOOGUWCXJRMJQU-MRXNPFEDSA-N 0 0 356.422 2.918 20 10 FFCDRN NC(=O)c1ccc(NC2CCN(c3ccc(OC(F)F)cc3)CC2)nc1 ZINC000363456180 511564452 /nfs/dbraw/zinc/56/44/52/511564452.db2.gz ABABHDKEXVBPTG-UHFFFAOYSA-N 0 0 362.380 2.863 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1c[nH]c(C(F)(F)F)c1 ZINC000292448754 511600894 /nfs/dbraw/zinc/60/08/94/511600894.db2.gz ILFPDEWUHZXCHS-UHFFFAOYSA-N 0 0 353.344 2.800 20 10 FFCDRN COC1CCN(c2ccc(CN3CCN(C(=O)C(C)(C)C)CC3)cc2)CC1 ZINC000296250753 511672076 /nfs/dbraw/zinc/67/20/76/511672076.db2.gz FQGSIXCJFSEHRZ-UHFFFAOYSA-N 0 0 373.541 2.992 20 10 FFCDRN COc1cccc2c1OCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000365829623 511674356 /nfs/dbraw/zinc/67/43/56/511674356.db2.gz XYKQJWMQCIZKMO-ZDUSSCGKSA-N 0 0 360.366 2.931 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCO[C@H](c4cccc(F)c4)C3)cc2N1 ZINC000301682813 511698972 /nfs/dbraw/zinc/69/89/72/511698972.db2.gz KJHOTHUYNLXWSZ-KRWDZBQOSA-N 0 0 373.340 2.643 20 10 FFCDRN COC(=O)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)nc1C ZINC000301914734 511703711 /nfs/dbraw/zinc/70/37/11/511703711.db2.gz IIJDJTVHWWMLJV-UHFFFAOYSA-N 0 0 369.465 2.997 20 10 FFCDRN COc1ccc(N2CCCN(c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000302068058 511703994 /nfs/dbraw/zinc/70/39/94/511703994.db2.gz FSFYGFFMBVEZNV-UHFFFAOYSA-N 0 0 360.479 2.815 20 10 FFCDRN COC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000292752553 511707609 /nfs/dbraw/zinc/70/76/09/511707609.db2.gz IOJVSTNNXGFYJU-PBHICJAKSA-N 0 0 353.846 2.836 20 10 FFCDRN COC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(OC)c1 ZINC000281081432 511713299 /nfs/dbraw/zinc/71/32/99/511713299.db2.gz RBCSDZZWAYGRLY-NSHDSACASA-N 0 0 374.393 2.646 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc2c(c1)SCC(=O)N2 ZINC000365894321 511715715 /nfs/dbraw/zinc/71/57/15/511715715.db2.gz JIQNNORQCBXEIJ-SNVBAGLBSA-N 0 0 358.419 2.503 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1cc(N2CCCC[C@H]2CO)ncn1 ZINC000302883308 511718230 /nfs/dbraw/zinc/71/82/30/511718230.db2.gz JKFHCCZTTWREIE-SFHVURJKSA-N 0 0 355.486 2.814 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@H](c3ncon3)C2)c(C)n1-c1ccc(F)cc1 ZINC000363831066 511794911 /nfs/dbraw/zinc/79/49/11/511794911.db2.gz VTMHIBZOHGPYKW-KRWDZBQOSA-N 0 0 370.384 2.830 20 10 FFCDRN Cc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1C(=O)N(C)C ZINC000281424808 511843291 /nfs/dbraw/zinc/84/32/91/511843291.db2.gz PJXQYJIIMFJZEC-CYBMUJFWSA-N 0 0 371.437 2.861 20 10 FFCDRN Cc1nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c(C)o1 ZINC000293178722 511870652 /nfs/dbraw/zinc/87/06/52/511870652.db2.gz YIQSTMGJLRILDJ-VXGBXAGGSA-N 0 0 361.417 2.974 20 10 FFCDRN Cc1cccnc1CCNC(=O)NCc1cccc(Br)c1O ZINC000296737995 511876532 /nfs/dbraw/zinc/87/65/32/511876532.db2.gz NABDGFQISGOZCG-UHFFFAOYSA-N 0 0 364.243 2.900 20 10 FFCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCF ZINC000281701931 511936105 /nfs/dbraw/zinc/93/61/05/511936105.db2.gz IIDDUOHVTOTAJY-LUAWRHEFSA-N 0 0 358.485 2.815 20 10 FFCDRN CC(C)C[C@@H]1C(=O)NCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000297047382 512000072 /nfs/dbraw/zinc/00/00/72/512000072.db2.gz BOHQEHUQKCNEGZ-LJQANCHMSA-N 0 0 370.497 2.509 20 10 FFCDRN C[C@H]1CN(c2ccc(CNS(=O)(=O)c3ccoc3)cc2F)C[C@H](C)O1 ZINC000285160794 512021641 /nfs/dbraw/zinc/02/16/41/512021641.db2.gz LLNFEKIKRGUPST-STQMWFEESA-N 0 0 368.430 2.511 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)cc1 ZINC000293610862 512026084 /nfs/dbraw/zinc/02/60/84/512026084.db2.gz 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ZINC000378392516 512737300 /nfs/dbraw/zinc/73/73/00/512737300.db2.gz TWXBORNIGLIBPI-DNVCBOLYSA-N 0 0 356.422 2.978 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@H]3CCOC[C@H]3C)CC2)cc1 ZINC000376532401 512861301 /nfs/dbraw/zinc/86/13/01/512861301.db2.gz LPOVBRFUAWCGFV-IAGOWNOFSA-N 0 0 361.486 2.590 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)[C@@H]3CCc4nccn4C3)cc2)CC1 ZINC000372728679 513018661 /nfs/dbraw/zinc/01/86/61/513018661.db2.gz SFLSBAHGDXIJEZ-GOSISDBHSA-N 0 0 352.482 2.998 20 10 FFCDRN CO[C@@H](C)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000377026071 513093447 /nfs/dbraw/zinc/09/34/47/513093447.db2.gz DQMXQYROKTXSEY-LBPRGKRZSA-N 0 0 357.401 2.591 20 10 FFCDRN COc1ccc(OCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1C ZINC000426864513 514061384 /nfs/dbraw/zinc/06/13/84/514061384.db2.gz OGZYPTQEAXALDM-UHFFFAOYSA-N 0 0 356.422 2.874 20 10 FFCDRN CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000498215768 514807940 /nfs/dbraw/zinc/80/79/40/514807940.db2.gz IBDONXHHNCEYAY-FUHWJXTLSA-N 0 0 371.481 2.549 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1nn(C)c(=O)c2ccccc12 ZINC000471233124 514809151 /nfs/dbraw/zinc/80/91/51/514809151.db2.gz HCFXENAWGYLEIL-UHFFFAOYSA-N 0 0 374.444 2.593 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1cc(C(=O)N(C)C)ccn1 ZINC000498958109 515143228 /nfs/dbraw/zinc/14/32/28/515143228.db2.gz WUFJMWLNIGZFGP-UHFFFAOYSA-N 0 0 365.437 2.905 20 10 FFCDRN COC(=O)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(F)c1 ZINC000476673013 515151061 /nfs/dbraw/zinc/15/10/61/515151061.db2.gz KRKRJQGCOJLKPE-UHFFFAOYSA-N 0 0 358.369 2.718 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC(CCC(N)=O)CC1 ZINC000472219599 515173998 /nfs/dbraw/zinc/17/39/98/515173998.db2.gz AKXANFSTYPYIEQ-UHFFFAOYSA-N 0 0 356.470 2.674 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCC[C@H](NC(=O)C(C)C)C1 ZINC000472220356 515174075 /nfs/dbraw/zinc/17/40/75/515174075.db2.gz JINOGTRRDPPQOR-INIZCTEOSA-N 0 0 370.497 2.933 20 10 FFCDRN CN(C(=O)Cc1occc1C(=O)N(C)c1ccccn1)c1ccccn1 ZINC000499606710 515386688 /nfs/dbraw/zinc/38/66/88/515386688.db2.gz CPKIMLNRDFZHKI-UHFFFAOYSA-N 0 0 350.378 2.552 20 10 FFCDRN CC(C)(C)n1cc(/C=C2/CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)nn1 ZINC000478913386 516005968 /nfs/dbraw/zinc/00/59/68/516005968.db2.gz WKIXLODLEHWLDS-FLIBITNWSA-N 0 0 366.381 2.596 20 10 FFCDRN CCOCc1nc([C@H](C)NC(=O)NCc2c(C)c3ccccc3n2C)no1 ZINC000460674788 516219064 /nfs/dbraw/zinc/21/90/64/516219064.db2.gz FVEXUCLGGKZUDV-ZDUSSCGKSA-N 0 0 371.441 2.967 20 10 FFCDRN NC(=O)Cc1occc1C(=O)N1CCCc2cc(Br)ccc21 ZINC000507784422 516299955 /nfs/dbraw/zinc/29/99/55/516299955.db2.gz LDTSWJQRWHGQGN-UHFFFAOYSA-N 0 0 363.211 2.663 20 10 FFCDRN Cc1cc(-c2nc(C3CC3)no2)ccc1NC(=O)C1=S=C([N+](=O)[O-])C=C1 ZINC000544162650 516620138 /nfs/dbraw/zinc/62/01/38/516620138.db2.gz NYXNPOPTKOCQHD-UHFFFAOYSA-N 0 0 370.390 2.743 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCCCc1ccccc1 ZINC000559348064 517202608 /nfs/dbraw/zinc/20/26/08/517202608.db2.gz ZUHMJBQGXAPHCO-UHFFFAOYSA-N 0 0 363.461 2.852 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)OC2(CCOCC2)C1 ZINC000527467510 517694770 /nfs/dbraw/zinc/69/47/70/517694770.db2.gz LMBYYPUPPCBBSM-OAHLLOKOSA-N 0 0 371.481 2.966 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)NCc1ccc(F)cc1F ZINC000550430143 518050356 /nfs/dbraw/zinc/05/03/56/518050356.db2.gz BAEKIGMLLAYAMZ-UHFFFAOYSA-N 0 0 371.387 2.698 20 10 FFCDRN Cc1nn(C)c(NC(=O)c2ccc(NC(=O)C3=S=CC=C3)cc2)c1C ZINC000517360179 518128298 /nfs/dbraw/zinc/12/82/98/518128298.db2.gz FSFKUKPPCUBUDV-UHFFFAOYSA-N 0 0 354.435 2.505 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCc1ncccc1N(C)C ZINC000568340215 518985925 /nfs/dbraw/zinc/98/59/25/518985925.db2.gz ACMNGXSDLFKRIK-UHFFFAOYSA-N 0 0 351.454 2.947 20 10 FFCDRN CC(=O)NCC1=S=C(C(=O)Nc2ccc(-c3ccncc3)c(C)c2)C=C1 ZINC000565532699 519003949 /nfs/dbraw/zinc/00/39/49/519003949.db2.gz VRXQUULMFRXLTL-UHFFFAOYSA-N 0 0 365.458 2.779 20 10 FFCDRN COC[C@@H](CCNC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)OC ZINC000617242878 520394252 /nfs/dbraw/zinc/39/42/52/520394252.db2.gz JPGMYQIZPQTLJA-MRXNPFEDSA-N 0 0 374.481 2.696 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CCO[C@](C)(COC)C3)ccc21 ZINC000629902848 522512261 /nfs/dbraw/zinc/51/22/61/522512261.db2.gz DEXISXQMSBSAAI-NRFANRHFSA-N 0 0 374.481 2.782 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](OC)C[C@]3(C)CO)ccc21 ZINC000634062982 523165134 /nfs/dbraw/zinc/16/51/34/523165134.db2.gz IXPHNVZAOACEGK-LAUBAEHRSA-N 0 0 374.481 2.516 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000737107054 598923292 /nfs/dbraw/zinc/92/32/92/598923292.db2.gz ZOWIRYGPACBTOS-UHFFFAOYSA-N 0 0 374.788 2.556 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCSC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822169023 599190680 /nfs/dbraw/zinc/19/06/80/599190680.db2.gz WLCIUCOFCXJYOY-AWEZNQCLSA-N 0 0 368.466 2.510 20 10 FFCDRN Cc1cc(C(=O)NCCC2CC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000822177306 599191074 /nfs/dbraw/zinc/19/10/74/599191074.db2.gz XDYWDBIOULDAHH-UHFFFAOYSA-N 0 0 350.426 2.804 20 10 FFCDRN Cc1cccnc1CNC(=S)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000737437443 598277752 /nfs/dbraw/zinc/27/77/52/598277752.db2.gz ZFMJKLKDJVMHCL-UHFFFAOYSA-N 0 0 359.846 2.710 20 10 FFCDRN Cc1cc(C(=O)NCc2cccnc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737236311 598609550 /nfs/dbraw/zinc/60/95/50/598609550.db2.gz IDDQOHGOLIYRAS-UHFFFAOYSA-N 0 0 373.420 2.599 20 10 FFCDRN Clc1ccc(-c2nn[nH]n2)c(NCc2ccc(N3CCOCC3)cc2)c1 ZINC000737571258 598635672 /nfs/dbraw/zinc/63/56/72/598635672.db2.gz YSSUYXGVXXLQCW-UHFFFAOYSA-N 0 0 370.844 2.969 20 10 FFCDRN Cc1cc(C(=O)Nc2cnc(C)nc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737502789 598668905 /nfs/dbraw/zinc/66/89/05/598668905.db2.gz YBFLSHGMDFJSLQ-UHFFFAOYSA-N 0 0 374.408 2.625 20 10 FFCDRN O=C([O-])[C@H]1C[N@H+](Cc2c(O)ccc3cc(Br)ccc32)CCO1 ZINC000738548473 599956904 /nfs/dbraw/zinc/95/69/04/599956904.db2.gz HDPBIMIHOVSOBR-OAHLLOKOSA-N 0 0 366.211 2.593 20 10 FFCDRN C[C@@H]1CN(c2ccc(C[NH2+]C[C@@H]3CCCN3C(=O)[O-])cc2F)C[C@H](C)O1 ZINC000739198025 602049803 /nfs/dbraw/zinc/04/98/03/602049803.db2.gz ZSOHXDFPNQTGRE-LZWOXQAQSA-N 0 0 365.449 2.671 20 10 FFCDRN CCOc1ccc(-c2nn[nH]n2)cc1NCc1cc(OC)c(OC)cc1O ZINC000825632623 609477823 /nfs/dbraw/zinc/47/78/23/609477823.db2.gz YDVMNBFTPJTDAT-UHFFFAOYSA-N 0 0 371.397 2.600 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc[nH]c(=O)c1 ZINC000155381439 728826717 /nfs/dbraw/zinc/82/67/17/728826717.db2.gz LQMVZWSTEBGQCR-UHFFFAOYSA-N 0 0 351.200 2.505 20 10 FFCDRN COC[C@]1(C)CC(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000158834873 728895056 /nfs/dbraw/zinc/89/50/56/728895056.db2.gz BZYRWRXHDDIJAI-GOSISDBHSA-N 0 0 354.397 2.883 20 10 FFCDRN CC(=O)N[C@H](CC(=O)NCc1ccc(O)c(O)c1)c1ccc(Cl)cc1 ZINC000158872478 728895857 /nfs/dbraw/zinc/89/58/57/728895857.db2.gz SILSJMFXRJRICX-OAHLLOKOSA-N 0 0 362.813 2.635 20 10 FFCDRN CSC[C@@](C)(O)CNC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000159433958 728907107 /nfs/dbraw/zinc/90/71/07/728907107.db2.gz ZSZJIWUTWQLKJU-IBGZPJMESA-N 0 0 365.543 2.836 20 10 FFCDRN CCc1nn(C)c(CC)c1CNC(=O)NCCCSc1nccs1 ZINC000162236964 728941050 /nfs/dbraw/zinc/94/10/50/728941050.db2.gz ZIBCPBRKXGMPHJ-UHFFFAOYSA-N 0 0 367.544 2.983 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1cnn(C)c1 ZINC000743554650 735305604 /nfs/dbraw/zinc/30/56/04/735305604.db2.gz JUYWCYJONGYQLY-CQSZACIVSA-N 0 0 359.499 2.534 20 10 FFCDRN Cc1cc(NC(=O)C(=O)NCc2ccccc2O)ccc1C(F)(F)F ZINC000743902108 735324181 /nfs/dbraw/zinc/32/41/81/735324181.db2.gz UBACSOBGEHOUQP-UHFFFAOYSA-N 0 0 352.312 2.974 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC000745827341 735446447 /nfs/dbraw/zinc/44/64/47/735446447.db2.gz FREPGINCTQVZKE-DOMZBBRYSA-N 0 0 359.392 2.922 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)O[C@H](C(F)(F)F)C1 ZINC000745827344 735446503 /nfs/dbraw/zinc/44/65/03/735446503.db2.gz FREPGINCTQVZKE-WFASDCNBSA-N 0 0 359.392 2.922 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1cc(C)n[nH]1 ZINC000745831132 735447054 /nfs/dbraw/zinc/44/70/54/735447054.db2.gz SBWJAWFRFFKZOS-UHFFFAOYSA-N 0 0 367.247 2.918 20 10 FFCDRN O=S(=O)(Nc1cccc(N2CCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000041371805 727939643 /nfs/dbraw/zinc/93/96/43/727939643.db2.gz CIRYOBBPGJLFBU-UHFFFAOYSA-N 0 0 360.435 2.859 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(C)s3)CC2)cc1 ZINC000047982678 728040785 /nfs/dbraw/zinc/04/07/85/728040785.db2.gz PGENQOYNIGZCRK-UHFFFAOYSA-N 0 0 352.481 2.576 20 10 FFCDRN CC(C)CCNC(=O)C1CCN(C(=O)CSc2nccs2)CC1 ZINC000058479720 728116024 /nfs/dbraw/zinc/11/60/24/728116024.db2.gz AJZKJGBYIPZBCR-UHFFFAOYSA-N 0 0 355.529 2.636 20 10 FFCDRN CN(Cc1ccccn1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000066335268 728169965 /nfs/dbraw/zinc/16/99/65/728169965.db2.gz WUBRINLQYGDCLO-UHFFFAOYSA-N 0 0 356.495 2.976 20 10 FFCDRN C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)c3cc4cc(O)c(O)cc4s3)O2)CO1 ZINC000899476941 735501385 /nfs/dbraw/zinc/50/13/85/735501385.db2.gz ODYZCCQQGOLKDZ-GDAOTKPNSA-N 0 0 363.435 2.769 20 10 FFCDRN COc1cccc(CNC(=O)NCCOc2ccc(F)cc2F)c1O ZINC000074132668 728231866 /nfs/dbraw/zinc/23/18/66/728231866.db2.gz KQHIQNPTUNWVQD-UHFFFAOYSA-N 0 0 352.337 2.557 20 10 FFCDRN COC(=O)c1c2c(sc1NC(=O)[C@@H]1CCN(C)C(=O)C1)CCCCC2 ZINC000078899860 728305622 /nfs/dbraw/zinc/30/56/22/728305622.db2.gz UZZRBEFJNSTKCK-LLVKDONJSA-N 0 0 364.467 2.611 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CC3(O)CCCCC3)CC2)cc1F ZINC000084815649 728426024 /nfs/dbraw/zinc/42/60/24/728426024.db2.gz MRIHWKNBMJNIBI-UHFFFAOYSA-N 0 0 350.434 2.568 20 10 FFCDRN CCC[C@H](C)NC(=O)[C@@H](C)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866396 728426561 /nfs/dbraw/zinc/42/65/61/728426561.db2.gz DBFCMIDQKSMUFB-LSDHHAIUSA-N 0 0 351.466 2.650 20 10 FFCDRN COCCn1nc(C)c(NC(=O)NCCCSc2nccs2)c1C ZINC000090154591 728449248 /nfs/dbraw/zinc/44/92/48/728449248.db2.gz OLIIGEJVSFOWTN-UHFFFAOYSA-N 0 0 369.516 2.907 20 10 FFCDRN C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000092228136 728465429 /nfs/dbraw/zinc/46/54/29/728465429.db2.gz PEEZDPTUVCGZQO-BXUZGUMPSA-N 0 0 354.472 2.708 20 10 FFCDRN C[C@@H](N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1)C(F)(F)F ZINC000093882979 728478315 /nfs/dbraw/zinc/47/83/15/728478315.db2.gz DTFDSHKVYOPRSS-OAHLLOKOSA-N 0 0 357.420 2.592 20 10 FFCDRN CCCC[C@@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094102675 728479431 /nfs/dbraw/zinc/47/94/31/728479431.db2.gz CRYLOZQKXUQAOF-IUODEOHRSA-N 0 0 354.472 2.852 20 10 FFCDRN CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCCC[C@@H]1C ZINC000094098863 728479651 /nfs/dbraw/zinc/47/96/51/728479651.db2.gz JJIKYDQHRYLAQH-WFASDCNBSA-N 0 0 354.472 2.805 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cnc(-c3ncccn3)s2)c1 ZINC000103528888 728497853 /nfs/dbraw/zinc/49/78/53/728497853.db2.gz CAPOJNIREBHHDP-JTQLQIEISA-N 0 0 356.407 2.805 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCN(C(N)=O)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000114367983 728559663 /nfs/dbraw/zinc/55/96/63/728559663.db2.gz NAIWYATXYGATQB-CQSZACIVSA-N 0 0 360.845 2.630 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCOc2ccc(Cl)cn2)cc1F ZINC000126500863 728703813 /nfs/dbraw/zinc/70/38/13/728703813.db2.gz CHVDWHSVABXALX-UHFFFAOYSA-N 0 0 366.824 2.818 20 10 FFCDRN O=C(NC[C@@H]1CCCS1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000127044776 728705333 /nfs/dbraw/zinc/70/53/33/728705333.db2.gz VCDYVPHYMPTQIX-HOTGVXAUSA-N 0 0 350.484 2.978 20 10 FFCDRN CCS(=O)(=O)CCN(C)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000128973344 728710068 /nfs/dbraw/zinc/71/00/68/728710068.db2.gz DWGBTWABMKJGRH-UHFFFAOYSA-N 0 0 362.495 2.643 20 10 FFCDRN Cc1ccc(Cl)c(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000134610608 728731412 /nfs/dbraw/zinc/73/14/12/728731412.db2.gz QTHLQESMRPETQL-LLVKDONJSA-N 0 0 362.813 2.746 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H](O)Cc1ccccc1 ZINC000171938147 729015844 /nfs/dbraw/zinc/01/58/44/729015844.db2.gz SCHPCSAAXUXJME-QGZVFWFLSA-N 0 0 363.841 2.624 20 10 FFCDRN CCCS(=O)(=O)CCN(CC)Cc1cc(Br)ccc1O ZINC000174423315 729071762 /nfs/dbraw/zinc/07/17/62/729071762.db2.gz VCQYXRKFMLMFTQ-UHFFFAOYSA-N 0 0 364.305 2.801 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1(O)CCCC1 ZINC000174596908 729074568 /nfs/dbraw/zinc/07/45/68/729074568.db2.gz JXMKYNDNJWLEOY-ZDUSSCGKSA-N 0 0 354.397 2.678 20 10 FFCDRN CC(C)CSCCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000751687195 735907433 /nfs/dbraw/zinc/90/74/33/735907433.db2.gz LQSDWHSUNDERQO-UHFFFAOYSA-N 0 0 361.485 2.700 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2ccc([S@](C)=O)c(F)c2)c1 ZINC000175856053 729103022 /nfs/dbraw/zinc/10/30/22/729103022.db2.gz SBOCMFIIHLPQSO-DEOSSOPVSA-N 0 0 352.387 2.599 20 10 FFCDRN Cc1nc(C)c(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)s1 ZINC000176854658 729122259 /nfs/dbraw/zinc/12/22/59/729122259.db2.gz QDXPPQGEHRMMHZ-UHFFFAOYSA-N 0 0 351.497 2.621 20 10 FFCDRN Cc1ccc(C(=O)NCCc2nc(-c3ccccn3)cs2)c(O)c1O ZINC000179487300 729187103 /nfs/dbraw/zinc/18/71/03/729187103.db2.gz VUPYRCYEGQJIBM-UHFFFAOYSA-N 0 0 355.419 2.897 20 10 FFCDRN O=S(=O)(Nc1ccc(O)cc1F)c1cnn(-c2ccccc2F)c1 ZINC000181625865 729253499 /nfs/dbraw/zinc/25/34/99/729253499.db2.gz SSOAYIDSHJRNLE-UHFFFAOYSA-N 0 0 351.334 2.657 20 10 FFCDRN CNc1nnc(CC(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000183908701 729316001 /nfs/dbraw/zinc/31/60/01/729316001.db2.gz BPALASVOFDPMCA-UHFFFAOYSA-N 0 0 358.423 2.650 20 10 FFCDRN Cc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)cc1F ZINC000184839787 729334619 /nfs/dbraw/zinc/33/46/19/729334619.db2.gz IINBLZDRWNASNQ-UHFFFAOYSA-N 0 0 363.370 2.928 20 10 FFCDRN Cc1cc(C(=O)N2CCCS2(=O)=O)c(C)n1-c1cccc(Cl)c1 ZINC000193607856 729484615 /nfs/dbraw/zinc/48/46/15/729484615.db2.gz CFUCNZYLZCXLID-UHFFFAOYSA-N 0 0 352.843 2.923 20 10 FFCDRN Cc1cc(NC(=O)CN2CCCc3cc(OC(F)F)ccc32)n(C)n1 ZINC000193989172 729496487 /nfs/dbraw/zinc/49/64/87/729496487.db2.gz RRQFPHXSGGYNAX-UHFFFAOYSA-N 0 0 350.369 2.721 20 10 FFCDRN O=C(NCc1ccccc1O)c1cccc([N+](=O)[O-])c1Br ZINC000228409835 729549539 /nfs/dbraw/zinc/54/95/39/729549539.db2.gz KFQAQVVYPSLXPD-UHFFFAOYSA-N 0 0 351.156 2.993 20 10 FFCDRN CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246844485 729591344 /nfs/dbraw/zinc/59/13/44/729591344.db2.gz FCXUDYUWOAHMKG-APHBMKBZSA-N 0 0 354.397 2.798 20 10 FFCDRN Cc1cc(Br)c(O)c(CNc2ccc(S(C)(=O)=O)nc2)c1 ZINC000759089673 736546168 /nfs/dbraw/zinc/54/61/68/736546168.db2.gz KRCRYWFWUXWIEO-UHFFFAOYSA-N 0 0 371.256 2.874 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1COCCN1C(=O)OC(C)(C)C)c1ccc(F)cc1[O-] ZINC000302085578 729732057 /nfs/dbraw/zinc/73/20/57/729732057.db2.gz APGAATBHFZMZGP-OCCSQVGLSA-N 0 0 354.422 2.818 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2cnc(Cl)c(F)c2)cc1 ZINC000324062538 729756304 /nfs/dbraw/zinc/75/63/04/729756304.db2.gz ALUVCKAVXXJQJJ-UHFFFAOYSA-N 0 0 357.838 2.761 20 10 FFCDRN O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000779196006 738442717 /nfs/dbraw/zinc/44/27/17/738442717.db2.gz MVODMGAAXRULME-MRVPVSSYSA-N 0 0 354.731 2.685 20 10 FFCDRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)N(C)Cc1ccccc1O ZINC000779390279 738461398 /nfs/dbraw/zinc/46/13/98/738461398.db2.gz SGZDTQHUQCJBFI-CYBMUJFWSA-N 0 0 351.447 2.837 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc(Cl)n1 ZINC000856212803 730316259 /nfs/dbraw/zinc/31/62/59/730316259.db2.gz SSXOGEHRZIIMOA-UHFFFAOYSA-N 0 0 359.857 2.935 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(F)(F)c1nccs1 ZINC000856213457 730316273 /nfs/dbraw/zinc/31/62/73/730316273.db2.gz MWIYWAIWBISRMN-UHFFFAOYSA-N 0 0 367.421 2.512 20 10 FFCDRN C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000857864246 730413173 /nfs/dbraw/zinc/41/31/73/730413173.db2.gz GJADKZJGVIURBU-CABZTGNLSA-N 0 0 364.243 2.860 20 10 FFCDRN C[C@H]1CCc2nc(C(=O)NCc3cccc(Br)c3O)cn2C1 ZINC000857950183 730414501 /nfs/dbraw/zinc/41/45/01/730414501.db2.gz KCCKRLPGZIXFNY-JTQLQIEISA-N 0 0 364.243 2.864 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000858154971 730418089 /nfs/dbraw/zinc/41/80/89/730418089.db2.gz WZHAKEAXRHTCLK-WMZOPIPTSA-N 0 0 361.511 2.607 20 10 FFCDRN CCc1nn(C)c(OC)c1CNCc1c(O)cccc1Br ZINC000858155591 730418105 /nfs/dbraw/zinc/41/81/05/730418105.db2.gz FOOGYLSHDIVSAG-UHFFFAOYSA-N 0 0 354.248 2.749 20 10 FFCDRN OC[C@]1(NCc2c(O)cccc2Br)CCOc2ccccc21 ZINC000858161570 730418299 /nfs/dbraw/zinc/41/82/99/730418299.db2.gz BHBZOEYEJKKXQA-QGZVFWFLSA-N 0 0 364.239 2.915 20 10 FFCDRN CC[S@](=O)CCNC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC000858228505 730420301 /nfs/dbraw/zinc/42/03/01/730420301.db2.gz HPRMIIQVXGNCQD-VWLOTQADSA-N 0 0 361.511 2.970 20 10 FFCDRN CC(C)(C)OC(=O)N1CCOC[C@H]1C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000858280352 730421679 /nfs/dbraw/zinc/42/16/79/730421679.db2.gz PUHLTAUSXCFDMV-LLVKDONJSA-N 0 0 374.840 2.910 20 10 FFCDRN CC[C@H]([NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O)c1cccc(Cl)c1[O-] ZINC000858498503 730427237 /nfs/dbraw/zinc/42/72/37/730427237.db2.gz QFCFKONIQGLITE-RRFJBIMHSA-N 0 0 360.907 2.947 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)CCc2c(F)cccc2F)cc1 ZINC000858882114 730435791 /nfs/dbraw/zinc/43/57/91/730435791.db2.gz AOHWGHYTTNJYNH-UHFFFAOYSA-N 0 0 354.422 2.693 20 10 FFCDRN CCO[C@@H](CS(=O)(=O)NCc1ccc(N2CCCC2)cc1)C1CC1 ZINC000858900305 730436092 /nfs/dbraw/zinc/43/60/92/730436092.db2.gz OFFFRSKKHRZFDB-SFHVURJKSA-N 0 0 352.500 2.521 20 10 FFCDRN CCO[C@H](CS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000859192624 730444746 /nfs/dbraw/zinc/44/47/46/730444746.db2.gz YDCXRTZVSDMBNR-HNAYVOBHSA-N 0 0 368.543 2.727 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1cc(Cl)ccc1O)c1ccc(F)cc1 ZINC000859207458 730445383 /nfs/dbraw/zinc/44/53/83/730445383.db2.gz ZIYRZLVWSYJXSA-INIZCTEOSA-N 0 0 373.833 2.992 20 10 FFCDRN Cc1ccc(NCc2ccc(N3CCOCC3)cc2)cc1S(C)(=O)=O ZINC000779598620 738471447 /nfs/dbraw/zinc/47/14/47/738471447.db2.gz KAIWUUIXWBPJOC-UHFFFAOYSA-N 0 0 360.479 2.847 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1C[C@@H]1CC2(CCC2)CO1 ZINC000925119991 738479679 /nfs/dbraw/zinc/47/96/79/738479679.db2.gz HMEPPUDCEYYLPN-AWEZNQCLSA-N 0 0 364.829 2.769 20 10 FFCDRN C=CC(=O)N(C)CC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000861538267 730622395 /nfs/dbraw/zinc/62/23/95/730622395.db2.gz TXYCQJZPWDQZPL-CQSZACIVSA-N 0 0 363.889 2.837 20 10 FFCDRN CCN(Cc1c(O)cccc1Br)[C@@H](C)CS(=O)(=O)CC ZINC000862245305 730681075 /nfs/dbraw/zinc/68/10/75/730681075.db2.gz MPMHYUDJWBUOJW-NSHDSACASA-N 0 0 364.305 2.800 20 10 FFCDRN CC[C@@H]1CN(Cc2c(O)cccc2Br)C[C@]2(CCOC2)O1 ZINC000862352120 730690966 /nfs/dbraw/zinc/69/09/66/730690966.db2.gz ZRBRAZSJJVEACM-WBMJQRKESA-N 0 0 356.260 2.925 20 10 FFCDRN CC1(N2CCOCC2)CC[NH+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000862503591 730705758 /nfs/dbraw/zinc/70/57/58/730705758.db2.gz YLDCGWBXKADFAT-UHFFFAOYSA-N 0 0 369.849 2.641 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@]2(F)CCN(C(=O)OC(C)(C)C)C2)c1 ZINC000862758053 730723676 /nfs/dbraw/zinc/72/36/76/730723676.db2.gz NDSUHNPXXQBIMY-GOSISDBHSA-N 0 0 352.406 2.666 20 10 FFCDRN Cc1cc(CNC(=O)[C@@H](C)CS(C)(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000863162120 730753245 /nfs/dbraw/zinc/75/32/45/730753245.db2.gz UIAPHCYCXBISPU-AWEZNQCLSA-N 0 0 362.495 2.699 20 10 FFCDRN Cc1cc(CNC(=O)C2(S(C)(=O)=O)CCC2)c(C)n1-c1ccccc1 ZINC000863164442 730753495 /nfs/dbraw/zinc/75/34/95/730753495.db2.gz KCBJERBGNYMWKT-UHFFFAOYSA-N 0 0 360.479 2.678 20 10 FFCDRN Cn1cc(/C=C2/SC(N3CCCCC3)=NC2=O)c(Br)n1 ZINC000863180202 730753803 /nfs/dbraw/zinc/75/38/03/730753803.db2.gz HAYLVDDYFASBJR-JXMROGBWSA-N 0 0 355.261 2.639 20 10 FFCDRN Cc1cc(CNC(=S)NCC(=O)NC(C)C)c(C)n1-c1ccccc1 ZINC000863233292 730759001 /nfs/dbraw/zinc/75/90/01/730759001.db2.gz LSXQPRHJRJKPPY-UHFFFAOYSA-N 0 0 358.511 2.583 20 10 FFCDRN [NH3+]C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC[C@H]1C(F)(F)F ZINC000863646969 730798637 /nfs/dbraw/zinc/79/86/37/730798637.db2.gz TYAWLTBOJSBFNO-GXSJLCMTSA-N 0 0 367.755 2.913 20 10 FFCDRN C/C=C\C[C@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000863819203 730810457 /nfs/dbraw/zinc/81/04/57/730810457.db2.gz RTDLAHKMUIBDGD-SCOBNMCVSA-N 0 0 352.456 2.582 20 10 FFCDRN C[C@@H](OC(C)(C)C)[C@H]([NH2+]Cc1c(O)cccc1Br)C(=O)[O-] ZINC000864511144 730855183 /nfs/dbraw/zinc/85/51/83/730855183.db2.gz PPHJMBIMYXZCLN-RNCFNFMXSA-N 0 0 360.248 2.901 20 10 FFCDRN CO[C@@H](C[C@@H]([NH2+]Cc1c(O)cccc1Br)C(=O)[O-])C1CC1 ZINC000864516468 730855649 /nfs/dbraw/zinc/85/56/49/730855649.db2.gz NNYCLKMHRJPBOO-OCCSQVGLSA-N 0 0 358.232 2.513 20 10 FFCDRN CN(c1ccc(CNC(=O)CC2CS(=O)(=O)C2)cc1)C1CCCCC1 ZINC000865028809 730904142 /nfs/dbraw/zinc/90/41/42/730904142.db2.gz QOWJESDBHOLMFQ-UHFFFAOYSA-N 0 0 364.511 2.506 20 10 FFCDRN COc1ccc(N2CCCN(C(=S)NCc3cc(C)on3)CC2)cc1 ZINC000865230900 730926532 /nfs/dbraw/zinc/92/65/32/730926532.db2.gz WKWXIXTUHBJFDX-UHFFFAOYSA-N 0 0 360.483 2.578 20 10 FFCDRN COC(=O)Cc1sccc1C(=O)NCCCSc1nccs1 ZINC000865783584 730997319 /nfs/dbraw/zinc/99/73/19/730997319.db2.gz RLXYQLCMVAZTNT-UHFFFAOYSA-N 0 0 356.494 2.832 20 10 FFCDRN C[C@H]1C[C@H]1c1noc(C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000865908765 731009974 /nfs/dbraw/zinc/00/99/74/731009974.db2.gz TTZGGVPEUIMTBD-SWLSCSKDSA-N 0 0 358.467 2.676 20 10 FFCDRN C[C@H]1C[C@@H]1c1noc(C(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000865908766 731010006 /nfs/dbraw/zinc/01/00/06/731010006.db2.gz TTZGGVPEUIMTBD-WFASDCNBSA-N 0 0 358.467 2.676 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCO[C@H](C(F)F)CC2)c([N+](=O)[O-])c1 ZINC000866064790 731027589 /nfs/dbraw/zinc/02/75/89/731027589.db2.gz XXNGDFQZRKCTBC-MFBWXBCUSA-N 0 0 356.325 2.641 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)C[C@@]2(C)CC2(Cl)Cl)cc1 ZINC000866424443 731058619 /nfs/dbraw/zinc/05/86/19/731058619.db2.gz IPXUWOXAFFEMKS-CYBMUJFWSA-N 0 0 351.299 2.756 20 10 FFCDRN COc1c(F)cccc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000866485671 731065880 /nfs/dbraw/zinc/06/58/80/731065880.db2.gz VIDNYDOHSYQVEE-UHFFFAOYSA-N 0 0 364.442 2.913 20 10 FFCDRN COc1cc(OC)c(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1Cl ZINC000867690244 731213755 /nfs/dbraw/zinc/21/37/55/731213755.db2.gz FJWGHCBZVCMFEV-UHFFFAOYSA-N 0 0 369.826 2.767 20 10 FFCDRN COc1ccc(C(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1Cl ZINC000773760549 737933445 /nfs/dbraw/zinc/93/34/45/737933445.db2.gz BORYHDRCMYCMPX-JTQLQIEISA-N 0 0 363.797 2.690 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[C@H]1CCCS1 ZINC000868977369 731351548 /nfs/dbraw/zinc/35/15/48/731351548.db2.gz AGQRWQFHZWUDPC-GOSISDBHSA-N 0 0 363.527 2.950 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1CCCn2nccc21 ZINC000869218380 731376034 /nfs/dbraw/zinc/37/60/34/731376034.db2.gz MCPKUDVFZQXUJP-LBPRGKRZSA-N 0 0 365.231 2.686 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1cnn(-c2ccc(C(F)(F)F)cc2)c1C ZINC000869959029 731456920 /nfs/dbraw/zinc/45/69/20/731456920.db2.gz BBKVEMMHQCCCIS-UHFFFAOYSA-N 0 0 354.284 2.514 20 10 FFCDRN CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cccc(O)c2C1 ZINC000871197987 731605264 /nfs/dbraw/zinc/60/52/64/731605264.db2.gz CHSMMDXLKGPMNO-CQSZACIVSA-N 0 0 366.483 2.881 20 10 FFCDRN O=C([C@H]1CCN(c2cccc(Cl)c2)C1=O)N1Cc2cccc(O)c2C1 ZINC000871202425 731605633 /nfs/dbraw/zinc/60/56/33/731605633.db2.gz GZTOXAFZMVXQQL-OAHLLOKOSA-N 0 0 356.809 2.941 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCn2ccc(C(F)(F)F)n2)c1 ZINC000872109285 731730720 /nfs/dbraw/zinc/73/07/20/731730720.db2.gz KKRIVWCQEXARQA-SNVBAGLBSA-N 0 0 357.332 2.745 20 10 FFCDRN C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@H+](Cc2c(O)ccc3ccncc32)C1 ZINC000872753230 731826900 /nfs/dbraw/zinc/82/69/00/731826900.db2.gz JYFVCGZKNNKNBC-MRXNPFEDSA-N 0 0 353.344 2.583 20 10 FFCDRN CC(C)(C)C[C@@H](NC(=O)C(=O)N1Cc2cccc(O)c2C1)C(F)(F)F ZINC000874100842 732010160 /nfs/dbraw/zinc/01/01/60/732010160.db2.gz VRQZVALOMDXZSL-CYBMUJFWSA-N 0 0 358.360 2.718 20 10 FFCDRN Nc1ccc(CCNC(=O)c2nc(C(F)(F)F)n3c2CCCC3)cc1 ZINC000876527980 732254576 /nfs/dbraw/zinc/25/45/76/732254576.db2.gz NLNNRAAEBWZVHI-UHFFFAOYSA-N 0 0 352.360 2.793 20 10 FFCDRN CCOC(=O)c1sc([C@@H](C)NC(=O)c2ccc(C)c(O)c2O)nc1C ZINC000780968020 738591118 /nfs/dbraw/zinc/59/11/18/738591118.db2.gz ZQGOUWJDMMBQPN-SNVBAGLBSA-N 0 0 364.423 2.839 20 10 FFCDRN [O-]c1c(C[NH2+]Cc2cc(F)ccc2N2CCOCC2)ccc(F)c1F ZINC000877051002 732317780 /nfs/dbraw/zinc/31/77/80/732317780.db2.gz QQZNSUBEICXFQJ-UHFFFAOYSA-N 0 0 352.356 2.936 20 10 FFCDRN COc1ccc(S(=O)(=O)NC2CC2)cc1NCc1ccc(C)cc1O ZINC000877514428 732377681 /nfs/dbraw/zinc/37/76/81/732377681.db2.gz NLPBDUSZIGDBIF-UHFFFAOYSA-N 0 0 362.451 2.762 20 10 FFCDRN O=C(N1C[C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3[O-])C[C@@H]2C1)C(F)(F)F ZINC000877567571 732389798 /nfs/dbraw/zinc/38/97/98/732389798.db2.gz YKIRYVIMDUYGJK-GXSJLCMTSA-N 0 0 364.314 2.513 20 10 FFCDRN CCN(CC)c1ccc(CN2CC[C@H]3CS(=O)(=O)C[C@H]3C2)cc1F ZINC000877789829 732432162 /nfs/dbraw/zinc/43/21/62/732432162.db2.gz CSLYRWMOWJQAPG-JKSUJKDBSA-N 0 0 354.491 2.538 20 10 FFCDRN COc1ccc(N(CC(=O)N=S(C)(C)=O)Cc2ccco2)cc1F ZINC000878254429 732505338 /nfs/dbraw/zinc/50/53/38/732505338.db2.gz VTSYQVJBYBNWNQ-UHFFFAOYSA-N 0 0 354.403 2.688 20 10 FFCDRN COC(=O)c1cc(NC(=O)c2cccc(O)c2O)ccc1Br ZINC000781390342 738623053 /nfs/dbraw/zinc/62/30/53/738623053.db2.gz KEOFDVALLWVMPN-UHFFFAOYSA-N 0 0 366.167 2.899 20 10 FFCDRN Cn1nc(C(F)(F)F)cc1CNC(=O)NCc1cc(Cl)ccc1O ZINC000926566482 738631522 /nfs/dbraw/zinc/63/15/22/738631522.db2.gz BWFUYHDXKNFZOI-UHFFFAOYSA-N 0 0 362.739 2.797 20 10 FFCDRN C[C@@H](NC(=O)C1CCC(S(C)(=O)=O)CC1)c1ccc(N(C)C)cc1 ZINC000879539347 732718350 /nfs/dbraw/zinc/71/83/50/732718350.db2.gz SPGZCKDRJFSQHV-BZOOQXSSSA-N 0 0 352.500 2.533 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C(C)(C)CCS(C)(=O)=O)c1 ZINC000781633461 738643388 /nfs/dbraw/zinc/64/33/88/738643388.db2.gz URAUSHNBYPUDHR-UHFFFAOYSA-N 0 0 364.305 2.766 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC(Cn3ccnn3)CC2)c1 ZINC000781909698 738670677 /nfs/dbraw/zinc/67/06/77/738670677.db2.gz JZVQIRULDUHFNL-UHFFFAOYSA-N 0 0 365.275 2.967 20 10 FFCDRN Cc1cc(Br)c(O)c(CN(CC(N)=O)Cc2ccccc2)c1 ZINC000781914678 738672350 /nfs/dbraw/zinc/67/23/50/738672350.db2.gz ZGCSFNPKYHECOM-UHFFFAOYSA-N 0 0 363.255 2.951 20 10 FFCDRN O=C(CSc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc(O)c(O)c1 ZINC000781935313 738674325 /nfs/dbraw/zinc/67/43/25/738674325.db2.gz GBORIDGHGHFJMN-UHFFFAOYSA-N 0 0 363.347 2.524 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)[C@H]2CCOC[C@@H]2C)cc1 ZINC000881774083 733105555 /nfs/dbraw/zinc/10/55/55/733105555.db2.gz IHZWCCLXVRHQBV-YJBOKZPZSA-N 0 0 354.516 2.719 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)cc1F ZINC000881840916 733117760 /nfs/dbraw/zinc/11/77/60/733117760.db2.gz FLSLEWGTYPKHHM-CYBMUJFWSA-N 0 0 350.406 2.602 20 10 FFCDRN C[C@]1(CS(=O)(=O)NCc2cccc(Br)c2O)CC1(F)F ZINC000882131902 733176705 /nfs/dbraw/zinc/17/67/05/733176705.db2.gz OCYKYNXKTYLTOT-LLVKDONJSA-N 0 0 370.215 2.619 20 10 FFCDRN CC(C)c1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3C)ccc1O ZINC000882798489 733296864 /nfs/dbraw/zinc/29/68/64/733296864.db2.gz ONPWWSNDAXFDEQ-UHFFFAOYSA-N 0 0 360.435 2.835 20 10 FFCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000882936275 733312175 /nfs/dbraw/zinc/31/21/75/733312175.db2.gz QDNGZSAKAITMLR-SNVBAGLBSA-N 0 0 356.394 2.893 20 10 FFCDRN CC(C)([NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)N1CCCC1 ZINC000883109303 733334946 /nfs/dbraw/zinc/33/49/46/733334946.db2.gz MCQOXRVTSNKYDN-UHFFFAOYSA-N 0 0 359.239 2.784 20 10 FFCDRN CO[C@@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000883164364 733344907 /nfs/dbraw/zinc/34/49/07/733344907.db2.gz CJQPTWPBYYMVEW-ZANVPECISA-N 0 0 364.667 2.949 20 10 FFCDRN C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Br)cc(F)c1[O-] ZINC000883374968 733376288 /nfs/dbraw/zinc/37/62/88/733376288.db2.gz YCQXYKKUJMSJAZ-SZEHBUNVSA-N 0 0 366.252 2.520 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@@H]2CCCC(C)(C)O2)c1 ZINC000885025188 733612787 /nfs/dbraw/zinc/61/27/87/733612787.db2.gz IEDRNOUVWQTOSP-JSGCOSHPSA-N 0 0 357.472 2.729 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCS(=O)(=O)C[C@H]2C)cc1 ZINC000886833749 733846541 /nfs/dbraw/zinc/84/65/41/733846541.db2.gz FCWXISXZFFFFRW-MRXNPFEDSA-N 0 0 360.479 2.743 20 10 FFCDRN COC(=O)Cn1cc(-c2nc(-c3ccc(N(C)C)cc3)sc2C)nn1 ZINC000887379740 733917380 /nfs/dbraw/zinc/91/73/80/733917380.db2.gz FGDOOBREMLPLGX-UHFFFAOYSA-N 0 0 357.439 2.616 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)Nc3ccsc3)cc2)CC1 ZINC000887878704 733987039 /nfs/dbraw/zinc/98/70/39/733987039.db2.gz MOQMCPOYHDOXJN-UHFFFAOYSA-N 0 0 358.467 2.772 20 10 FFCDRN CCn1cc(Cl)c(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000889574555 734194349 /nfs/dbraw/zinc/19/43/49/734194349.db2.gz KQAPVJCRSAKUKV-GFCCVEGCSA-N 0 0 363.849 2.965 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000890762834 734337186 /nfs/dbraw/zinc/33/71/86/734337186.db2.gz KGSMIOZKXWOMDU-HNNXBMFYSA-N 0 0 358.825 2.824 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCc1n[nH]c(CSC)n1 ZINC000891089922 734378180 /nfs/dbraw/zinc/37/81/80/734378180.db2.gz FPEARGPHIPAMAY-UHFFFAOYSA-N 0 0 363.487 2.885 20 10 FFCDRN CCN(CCCNC(=S)Nc1ccc(C(N)=O)cc1)c1ccccc1 ZINC000726448704 734425425 /nfs/dbraw/zinc/42/54/25/734425425.db2.gz JGSWHBGQKGYVER-UHFFFAOYSA-N 0 0 356.495 2.989 20 10 FFCDRN COc1cccc(S(=O)(=O)CCN(C)c2ccc(OC)c(OC)c2)c1 ZINC000726691443 734440680 /nfs/dbraw/zinc/44/06/80/734440680.db2.gz DZJRUBPEBFVPIM-UHFFFAOYSA-N 0 0 365.451 2.623 20 10 FFCDRN CC(C)C[C@H](C)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1 ZINC000727672820 734493843 /nfs/dbraw/zinc/49/38/43/734493843.db2.gz GFDPIWZFSDHPRV-INIZCTEOSA-N 0 0 366.527 2.610 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(F)cc1C(F)(F)F ZINC000728143031 734517682 /nfs/dbraw/zinc/51/76/82/734517682.db2.gz 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CN(C)c1ccc(CN(C2CC2)S(=O)(=O)N2CCCCCC2)cc1 ZINC000917926864 737784494 /nfs/dbraw/zinc/78/44/94/737784494.db2.gz OIQGCRSABOATIO-UHFFFAOYSA-N 0 0 351.516 2.838 20 10 FFCDRN Cc1cc(Cl)cnc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000812963020 741665323 /nfs/dbraw/zinc/66/53/23/741665323.db2.gz JXPSQLNXSWMESX-UHFFFAOYSA-N 0 0 364.808 2.503 20 10 FFCDRN Nc1c(Cl)cc(N2C(=O)N[C@H](Cc3ccccn3)C2=O)cc1Cl ZINC000772124736 737788754 /nfs/dbraw/zinc/78/87/54/737788754.db2.gz PGDMXOOTSCYQBS-GFCCVEGCSA-N 0 0 351.193 2.638 20 10 FFCDRN CCOC(=O)c1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773085619 737869657 /nfs/dbraw/zinc/86/96/57/737869657.db2.gz ZGHWOTDDGQYIFO-GFCCVEGCSA-N 0 0 366.439 2.562 20 10 FFCDRN COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773089744 737870671 /nfs/dbraw/zinc/87/06/71/737870671.db2.gz VFIVZPRHDVGOKK-ZDUSSCGKSA-N 0 0 362.451 2.579 20 10 FFCDRN C[C@H](NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc(N(C)C)cc1 ZINC000773989045 737951542 /nfs/dbraw/zinc/95/15/42/737951542.db2.gz NRZQUERRPNHEOA-ZDUSSCGKSA-N 0 0 361.467 2.615 20 10 FFCDRN CCC(C)(C)NC(=S)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000774158787 737965085 /nfs/dbraw/zinc/96/50/85/737965085.db2.gz UZBDCVHAZFBOOZ-HNNXBMFYSA-N 0 0 362.543 2.541 20 10 FFCDRN O=C(NCc1c(O)cccc1F)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000921431963 737982851 /nfs/dbraw/zinc/98/28/51/737982851.db2.gz CKUSFHDAHHFNEN-LLVKDONJSA-N 0 0 364.808 2.658 20 10 FFCDRN CCSc1cccc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000774361434 737984309 /nfs/dbraw/zinc/98/43/09/737984309.db2.gz DBKPGIDWSPPBBP-UHFFFAOYSA-N 0 0 360.435 2.507 20 10 FFCDRN CN(C)Cc1csc(CNC(=O)NCCCSc2nccs2)n1 ZINC000921446391 737985709 /nfs/dbraw/zinc/98/57/09/737985709.db2.gz HOUMJTUSAJLATC-UHFFFAOYSA-N 0 0 371.557 2.643 20 10 FFCDRN CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000774488439 737993709 /nfs/dbraw/zinc/99/37/09/737993709.db2.gz PJAOJJQIKSAPSC-IEBVAXJPSA-N 0 0 362.239 2.874 20 10 FFCDRN COc1c(O)c(CN[C@@H](CC(C)C)C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000775099880 738061683 /nfs/dbraw/zinc/06/16/83/738061683.db2.gz JUEVULOPBWYVNL-ZDUSSCGKSA-N 0 0 354.403 2.765 20 10 FFCDRN C[C@H](NC(=O)NCC[C@@H](N(C)C)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000922053937 738084691 /nfs/dbraw/zinc/08/46/91/738084691.db2.gz GUCZYIYRSDVKKQ-SWLSCSKDSA-N 0 0 360.424 2.995 20 10 FFCDRN Cc1nn(C)c(CNCc2cc(F)c(N3CCOCC3)c(F)c2)c1Cl ZINC000922176065 738101099 /nfs/dbraw/zinc/10/10/99/738101099.db2.gz CCVJPQQIVBEZIC-UHFFFAOYSA-N 0 0 370.831 2.787 20 10 FFCDRN COC(=O)CN(Cc1ccc(OC)cn1)Cc1cc(Cl)ccc1O ZINC000775981562 738149518 /nfs/dbraw/zinc/14/95/18/738149518.db2.gz GASVSLMSOVOWTK-UHFFFAOYSA-N 0 0 350.802 2.624 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC000776076461 738158772 /nfs/dbraw/zinc/15/87/72/738158772.db2.gz LQDPUILMJKGIRB-UHFFFAOYSA-N 0 0 372.849 2.561 20 10 FFCDRN CN1CC[C@@H]([NH2+]Cc2cc(Br)cc(Br)c2[O-])C1 ZINC000776175413 738167988 /nfs/dbraw/zinc/16/79/88/738167988.db2.gz YZJRURBIEYGUME-SNVBAGLBSA-N 0 0 364.081 2.711 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)O2)c1[O-] ZINC000922812307 738205043 /nfs/dbraw/zinc/20/50/43/738205043.db2.gz ZDZOPFPWADAHHC-ZDUSSCGKSA-N 0 0 356.806 2.772 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)C12CC(C(F)(F)F)(C1)C2 ZINC000776632336 738217137 /nfs/dbraw/zinc/21/71/37/738217137.db2.gz QLRIHBIAWQCGCY-UHFFFAOYSA-N 0 0 354.372 2.872 20 10 FFCDRN COC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000776861401 738239350 /nfs/dbraw/zinc/23/93/50/738239350.db2.gz UQIKLJWBHKTTCX-RYUDHWBXSA-N 0 0 351.403 2.818 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cnn(CC(F)(F)F)c1 ZINC000786976247 739094740 /nfs/dbraw/zinc/09/47/40/739094740.db2.gz VPCVSUDSBZNHPQ-UHFFFAOYSA-N 0 0 350.391 2.814 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCSCC[C@H]2C)cc1 ZINC000788953464 739301839 /nfs/dbraw/zinc/30/18/39/739301839.db2.gz BWCSTFGOKKCIJX-OAHLLOKOSA-N 0 0 363.527 2.503 20 10 FFCDRN COC(=O)[C@@H](c1ccsc1)N1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000789297791 739335006 /nfs/dbraw/zinc/33/50/06/739335006.db2.gz FJIGLIAFDYXNHP-QGZVFWFLSA-N 0 0 364.442 2.932 20 10 FFCDRN CCc1csc(NC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)n1 ZINC000789369514 739342770 /nfs/dbraw/zinc/34/27/70/739342770.db2.gz FLMHAAMTEIECLW-UHFFFAOYSA-N 0 0 360.483 2.759 20 10 FFCDRN CCc1nc(NC(=O)C(=O)N[C@H](C)c2cc(OC)ccc2O)sc1C ZINC000789462564 739355543 /nfs/dbraw/zinc/35/55/43/739355543.db2.gz IDASIECTWXNTAM-SECBINFHSA-N 0 0 363.439 2.544 20 10 FFCDRN CCc1nc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)sc1C ZINC000789462565 739355609 /nfs/dbraw/zinc/35/56/09/739355609.db2.gz IDASIECTWXNTAM-VIFPVBQESA-N 0 0 363.439 2.544 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc(Cl)nc2C)c1 ZINC000789462518 739355669 /nfs/dbraw/zinc/35/56/69/739355669.db2.gz GVXSWFUHRSNHJA-VIFPVBQESA-N 0 0 363.801 2.574 20 10 FFCDRN CC(C)(C)c1cnc(SCC(=O)NCCCN2CCCC2=O)s1 ZINC000789930061 739397466 /nfs/dbraw/zinc/39/74/66/739397466.db2.gz OYANUGBYQIEUQC-UHFFFAOYSA-N 0 0 355.529 2.661 20 10 FFCDRN CCc1n[nH]c(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1Br ZINC000789995306 739403792 /nfs/dbraw/zinc/40/37/92/739403792.db2.gz GJNHCVSUAZKNSJ-MRVPVSSYSA-N 0 0 368.231 2.940 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2c(C)n(C)c3ccccc32)c(O)c1 ZINC000790334763 739438483 /nfs/dbraw/zinc/43/84/83/739438483.db2.gz QOJKFQWZQSBKRJ-UHFFFAOYSA-N 0 0 360.435 2.679 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2cnn(C)c2Cl)cc1 ZINC000932393445 739443936 /nfs/dbraw/zinc/44/39/36/739443936.db2.gz BRCJKNBAIFXXHY-UHFFFAOYSA-N 0 0 351.838 2.682 20 10 FFCDRN Cn1ncc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c1Cl ZINC000932413398 739449528 /nfs/dbraw/zinc/44/95/28/739449528.db2.gz HUKBHZAQYMIFEI-UHFFFAOYSA-N 0 0 365.890 2.948 20 10 FFCDRN Cc1nn(CC(F)F)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000933816572 739693576 /nfs/dbraw/zinc/69/35/76/739693576.db2.gz ZEFJNEQZMGVPFE-UHFFFAOYSA-N 0 0 350.369 2.562 20 10 FFCDRN COC(=O)c1nn(C)c(C)c1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000792867669 739713879 /nfs/dbraw/zinc/71/38/79/739713879.db2.gz WTCHLQHYBZOMDL-UKTHLTGXSA-N 0 0 373.459 2.921 20 10 FFCDRN COc1ccc(CNC(=O)NCCCSc2nccs2)c(O)c1 ZINC000793103393 739739275 /nfs/dbraw/zinc/73/92/75/739739275.db2.gz MESPIKIICMAYPJ-UHFFFAOYSA-N 0 0 353.469 2.839 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1 ZINC000793360833 739773409 /nfs/dbraw/zinc/77/34/09/739773409.db2.gz ACSHLLKKSITLTO-WBMJQRKESA-N 0 0 356.260 2.843 20 10 FFCDRN C[C@@H](Cc1ccsc1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000793793946 739814354 /nfs/dbraw/zinc/81/43/54/739814354.db2.gz VUAIBLRTZGXCDG-KBPBESRZSA-N 0 0 359.495 2.739 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(S(C)(=O)=O)CCC2)cc1 ZINC000793999034 739836259 /nfs/dbraw/zinc/83/62/59/739836259.db2.gz OWQFHWWOUDJEHH-UHFFFAOYSA-N 0 0 360.479 2.791 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(OC)cc2OC(F)F)c(O)c1 ZINC000794386851 739885868 /nfs/dbraw/zinc/88/58/68/739885868.db2.gz CPRKHYCXFFYQEE-UHFFFAOYSA-N 0 0 353.321 2.941 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2cc(C)cc3cccnc32)c(O)c1 ZINC000795357425 740009546 /nfs/dbraw/zinc/00/95/46/740009546.db2.gz OIQMTEBLJASGEH-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2cccc3c(C)ccnc32)c(O)c1 ZINC000795358004 740009697 /nfs/dbraw/zinc/00/96/97/740009697.db2.gz JJBGYWOQVISAEP-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN COc1cccc(O)c1CNc1ccc(C)c(S(=O)(=O)NC2CC2)c1 ZINC000796428290 740142628 /nfs/dbraw/zinc/14/26/28/740142628.db2.gz JHALFADIGZEZQR-UHFFFAOYSA-N 0 0 362.451 2.762 20 10 FFCDRN CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000796512644 740149195 /nfs/dbraw/zinc/14/91/95/740149195.db2.gz HIMXZTLHJHFAAU-GFCCVEGCSA-N 0 0 367.298 2.603 20 10 FFCDRN CCOC1(C(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)CCCC1 ZINC000797073742 740209692 /nfs/dbraw/zinc/20/96/92/740209692.db2.gz CXJVKIRAMJASRP-UHFFFAOYSA-N 0 0 350.434 2.832 20 10 FFCDRN C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1[O-] ZINC000797999232 740297878 /nfs/dbraw/zinc/29/78/78/740297878.db2.gz PEEYPLVLYWSHKN-GFCCVEGCSA-N 0 0 370.421 2.642 20 10 FFCDRN Cc1cc(C(=O)O[C@@H]2CCC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000798601079 740346004 /nfs/dbraw/zinc/34/60/04/740346004.db2.gz QABVMIRCXHRWDN-OAHLLOKOSA-N 0 0 360.797 2.710 20 10 FFCDRN CC(=O)N1CC(C(=O)NCc2ccc(N3CCC[C@H](C)C3)c(Cl)c2)C1 ZINC000800049624 740478325 /nfs/dbraw/zinc/47/83/25/740478325.db2.gz SBECHLSRMIGGGO-ZDUSSCGKSA-N 0 0 363.889 2.671 20 10 FFCDRN COCCn1cc(C[NH2+][C@H](C)c2cc(Br)cc(F)c2[O-])cn1 ZINC000800496285 740528310 /nfs/dbraw/zinc/52/83/10/740528310.db2.gz UEUPRJFLLBRETJ-SNVBAGLBSA-N 0 0 372.238 2.988 20 10 FFCDRN COC[C@@](C)(O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800572167 740534695 /nfs/dbraw/zinc/53/46/95/740534695.db2.gz SYBYSNQWADMLCF-SCLBCKFNSA-N 0 0 354.878 2.590 20 10 FFCDRN C[C@@H](NC(=O)NCCCOC(F)F)c1ccc(N2CCOCC2)cc1 ZINC000801001675 740576801 /nfs/dbraw/zinc/57/68/01/740576801.db2.gz NUDQVICXHZWHBF-CYBMUJFWSA-N 0 0 357.401 2.513 20 10 FFCDRN O=C(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cccc(O)c1O ZINC000801591152 740634649 /nfs/dbraw/zinc/63/46/49/740634649.db2.gz AVPNSKSTOAMZBE-UHFFFAOYSA-N 0 0 366.776 2.979 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@H](C(F)F)C2)c1O ZINC000802653508 740715667 /nfs/dbraw/zinc/71/56/67/740715667.db2.gz NQYNNSFGWDJDKY-NSHDSACASA-N 0 0 352.175 2.629 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)C2(S(C)(=O)=O)CC2)cc1 ZINC000804543158 740882403 /nfs/dbraw/zinc/88/24/03/740882403.db2.gz QONPOELZESDSGE-OAHLLOKOSA-N 0 0 360.479 2.790 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1ccc(-n2cccn2)nc1 ZINC000804734531 740900716 /nfs/dbraw/zinc/90/07/16/740900716.db2.gz PTKCFFOJQOBKHK-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN O=C(Cc1n[nH]c2ccccc21)NCc1cc(Br)ccc1O ZINC000804737222 740901015 /nfs/dbraw/zinc/90/10/15/740901015.db2.gz GBGPUEJKINRGML-UHFFFAOYSA-N 0 0 360.211 2.890 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cccc(-n2cccn2)n1 ZINC000804736156 740901144 /nfs/dbraw/zinc/90/11/44/740901144.db2.gz PCEBREPSULIPTH-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN O=C(Cn1cnc2c1CCCC2)NCc1cc(Br)ccc1O ZINC000804735810 740901199 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O=S(=O)(CCC[C@@H]1CCOC1)NCc1ccc(N2CCCC2)cc1 ZINC000826984595 743483762 /nfs/dbraw/zinc/48/37/62/743483762.db2.gz KEYDSHIQIQHIPX-QGZVFWFLSA-N 0 0 352.500 2.523 20 10 FFCDRN CCOc1ccc(N2CCN(Cc3c(O)cc(C)cc3Cl)CC2)nn1 ZINC000827799224 744980942 /nfs/dbraw/zinc/98/09/42/744980942.db2.gz MJHPRVMWAAMGDC-UHFFFAOYSA-N 0 0 362.861 2.865 20 10 FFCDRN CCOc1ccc(N2CCN(Cc3cc(Cl)c(C)cc3O)CC2)nn1 ZINC000827800684 744981204 /nfs/dbraw/zinc/98/12/04/744981204.db2.gz YTFKHQLEKVSNCM-UHFFFAOYSA-N 0 0 362.861 2.865 20 10 FFCDRN CC1=NO[C@@H](C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000829026385 745156891 /nfs/dbraw/zinc/15/68/91/745156891.db2.gz JFUBCYWTQRBCER-SWLSCSKDSA-N 0 0 353.369 2.538 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)NCCOc2cccc(C)c2)s1 ZINC000829687437 745245483 /nfs/dbraw/zinc/24/54/83/745245483.db2.gz JEOYAEFCUINFIC-UHFFFAOYSA-N 0 0 366.464 2.525 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSc3ncccc3F)CC2)cc1 ZINC000830009211 745293343 /nfs/dbraw/zinc/29/33/43/745293343.db2.gz UPSCGLVEUSBBRY-UHFFFAOYSA-N 0 0 361.442 2.670 20 10 FFCDRN Cc1ncsc1CCS(=O)(=O)NCCCSc1nccs1 ZINC000830498656 745370581 /nfs/dbraw/zinc/37/05/81/745370581.db2.gz MDAOXSNMKWYRKY-UHFFFAOYSA-N 0 0 363.555 2.552 20 10 FFCDRN Cc1ncsc1CCS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000831140351 745489393 /nfs/dbraw/zinc/48/93/93/745489393.db2.gz JKMKMEUJFFSZKQ-LBPRGKRZSA-N 0 0 353.513 2.741 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)Cc1occc1C ZINC000831707007 745572781 /nfs/dbraw/zinc/57/27/81/745572781.db2.gz SJZULRIRXLWTFZ-UHFFFAOYSA-N 0 0 351.786 2.691 20 10 FFCDRN CC(C)(C)OC(=O)C1CC2(C1)CC[C@H](CNC(=O)C1=CC(=O)CS1)O2 ZINC000832097712 745635410 /nfs/dbraw/zinc/63/54/10/745635410.db2.gz JCTCSRWXXVATMX-NOBQPIJMSA-N 0 0 367.467 2.853 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1O ZINC000832298279 745674228 /nfs/dbraw/zinc/67/42/28/745674228.db2.gz KQRRTEGAGVPFJS-YMTOWFKASA-N 0 0 351.752 2.993 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C\c1cccc(Br)c1F ZINC000834412760 745833692 /nfs/dbraw/zinc/83/36/92/745833692.db2.gz 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O=C1CN(Cc2ccc(N3CCCCC3)c(Br)c2)CCCN1 ZINC000838806367 746716160 /nfs/dbraw/zinc/71/61/60/746716160.db2.gz RBUWTPDCSDGJTE-UHFFFAOYSA-N 0 0 366.303 2.761 20 10 FFCDRN O=C(Nc1cnsn1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000839112392 746777903 /nfs/dbraw/zinc/77/79/03/746777903.db2.gz GEVLGTWZJYDKEB-UHFFFAOYSA-N 0 0 369.397 2.930 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCS[C@H](CC)C1 ZINC000839339248 746814299 /nfs/dbraw/zinc/81/42/99/746814299.db2.gz ISJGEEKKCSBTHK-MRXNPFEDSA-N 0 0 364.511 2.875 20 10 FFCDRN O=C(CSc1ccccc1C(=O)N1C[C@@H]2C[C@H]1CS2)N1CCCC1 ZINC000839452525 746830883 /nfs/dbraw/zinc/83/08/83/746830883.db2.gz AXJKWIGUCGONNB-KBPBESRZSA-N 0 0 362.520 2.731 20 10 FFCDRN Cc1cnc(NC(=O)C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)s1 ZINC000839633320 746875809 /nfs/dbraw/zinc/87/58/09/746875809.db2.gz HKXGKCHJJSIUFU-GFCCVEGCSA-N 0 0 360.483 2.512 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)[C@@H](C)N(C)CC(F)(F)F ZINC000839922501 746961356 /nfs/dbraw/zinc/96/13/56/746961356.db2.gz 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ZINC000841024735 747257292 /nfs/dbraw/zinc/25/72/92/747257292.db2.gz QDSVZNMLVBXAQT-RDDDGLTNSA-N 0 0 364.081 2.839 20 10 FFCDRN C[C@@H]1OC(=O)N[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000841433606 747349293 /nfs/dbraw/zinc/34/92/93/747349293.db2.gz WSMOZSJCPLAUCI-WQGACYEGSA-N 0 0 365.861 2.689 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)N1CCC[C@@H](C)C1 ZINC000841568601 747405189 /nfs/dbraw/zinc/40/51/89/747405189.db2.gz COHWJYXEESOACS-GDBMZVCRSA-N 0 0 353.532 2.558 20 10 FFCDRN CCN(CC1CC1)S(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841568853 747405779 /nfs/dbraw/zinc/40/57/79/747405779.db2.gz HHSLRKGHSLXQED-HNNXBMFYSA-N 0 0 353.532 2.558 20 10 FFCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000842014702 747501884 /nfs/dbraw/zinc/50/18/84/747501884.db2.gz IRNDYCBVACVTOT-OUJBWJOFSA-N 0 0 358.269 2.886 20 10 FFCDRN Cc1cc(CC(=O)OC[C@@]2(O)CCOC2)c(C)n1-c1ccc(Cl)cc1 ZINC000842388913 747586787 /nfs/dbraw/zinc/58/67/87/747586787.db2.gz 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ZINC000844726371 748084309 /nfs/dbraw/zinc/08/43/09/748084309.db2.gz UCEUQEZHPBOBMC-UHFFFAOYSA-N 0 0 371.457 2.923 20 10 FFCDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000845028068 748164119 /nfs/dbraw/zinc/16/41/19/748164119.db2.gz SPUIKXXKMNSZBA-UDFDBXRZSA-N 0 0 358.891 2.925 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000845056615 748170125 /nfs/dbraw/zinc/17/01/25/748170125.db2.gz BNIFVXIHYMKZFN-HNNXBMFYSA-N 0 0 365.861 2.636 20 10 FFCDRN COc1ccc(O)c(CNc2ccc(F)c(S(=O)(=O)NC3CC3)c2)c1 ZINC000845991676 748376901 /nfs/dbraw/zinc/37/69/01/748376901.db2.gz DCQYKLHHQONXGU-UHFFFAOYSA-N 0 0 366.414 2.593 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846073534 748396921 /nfs/dbraw/zinc/39/69/21/748396921.db2.gz XOBYXTIFPLFESE-NSHDSACASA-N 0 0 353.260 2.564 20 10 FFCDRN COC(=O)[C@H](NCc1ccc(N(C)C)c(F)c1)[C@@H]1CCC[C@@H](OC)C1 ZINC000846109116 748408868 /nfs/dbraw/zinc/40/88/68/748408868.db2.gz SGMSBNLKPYQGQW-IIDMSEBBSA-N 0 0 352.450 2.728 20 10 FFCDRN CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)cc1C ZINC000846120664 748411098 /nfs/dbraw/zinc/41/10/98/748411098.db2.gz CVALUOSOLDOWKM-SNVBAGLBSA-N 0 0 364.833 2.776 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cccc([S@](C)=O)c2)cc1 ZINC000846442815 748480255 /nfs/dbraw/zinc/48/02/55/748480255.db2.gz YZLFZHUXHWJHEV-VWLOTQADSA-N 0 0 360.479 2.641 20 10 FFCDRN CC(C)(C)[C@@H](CNC(=O)C1=CC(=O)CS1)NC(=O)C1=CC(=O)CS1 ZINC000847121486 748626395 /nfs/dbraw/zinc/62/63/95/748626395.db2.gz KLNFZPJKGGMISZ-CYBMUJFWSA-N 0 0 368.480 2.795 20 10 FFCDRN CC(C)(C)OC(=O)N(CCC(=O)NCc1ccc(O)c(O)c1)C1CC1 ZINC000847590899 748736442 /nfs/dbraw/zinc/73/64/42/748736442.db2.gz KEGGEUVHIDVYBY-UHFFFAOYSA-N 0 0 350.415 2.504 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000848243439 748883983 /nfs/dbraw/zinc/88/39/83/748883983.db2.gz ZKRVHFMULTYKDQ-IBGZPJMESA-N 0 0 358.825 2.510 20 10 FFCDRN C[C@@H]([NH2+]Cc1nnc([C@@H]2CCCO2)[n-]1)c1ccc(Br)cc1O ZINC000848557794 748959933 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O=S(=O)(CCc1ccccc1F)NCCCSc1nccs1 ZINC000849375192 749119113 /nfs/dbraw/zinc/11/91/13/749119113.db2.gz QDALKDPKZZSEKH-UHFFFAOYSA-N 0 0 360.501 2.927 20 10 FFCDRN CO[C@H](CS(=O)(=O)N[C@H](C)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000849387502 749127993 /nfs/dbraw/zinc/12/79/93/749127993.db2.gz NASPTKYXTMXXTR-RDTXWAMCSA-N 0 0 354.516 2.938 20 10 FFCDRN CO[C@H](CS(=O)(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C1CCCC1 ZINC000849387499 749128073 /nfs/dbraw/zinc/12/80/73/749128073.db2.gz NASPTKYXTMXXTR-KBXCAEBGSA-N 0 0 354.516 2.938 20 10 FFCDRN CCSC1(CNC(=O)C(=O)N(CC)Cc2ccc(N(C)C)cc2)CC1 ZINC000850601827 749394269 /nfs/dbraw/zinc/39/42/69/749394269.db2.gz KEXJDXKJLOPPHX-UHFFFAOYSA-N 0 0 363.527 2.503 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](CCF)C1 ZINC000850626065 749396996 /nfs/dbraw/zinc/39/69/96/749396996.db2.gz LWFMZTLFBUJMQW-HNNXBMFYSA-N 0 0 350.434 2.729 20 10 FFCDRN COc1ccc(N(C)[C@H]2CCN(CC(=O)OC(C)(C)C)C2=O)cc1Cl ZINC000851809035 749681820 /nfs/dbraw/zinc/68/18/20/749681820.db2.gz 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20 10 FFCDRN COC(=O)c1c(CN2CC[C@H](c3noc(C)n3)C2)c2cc(F)ccc2n1C ZINC000896230898 971360901 /nfs/dbraw/zinc/36/09/01/971360901.db2.gz NKSMOEHKLUHZGI-LBPRGKRZSA-N 0 0 372.400 2.785 20 10 FFCDRN CC(=O)NC[C@H]1CCCN(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)C1 ZINC000840489540 971366002 /nfs/dbraw/zinc/36/60/02/971366002.db2.gz RYGNYZQAFHUVMF-SJLPKXTDSA-N 0 0 374.529 2.550 20 10 FFCDRN COC(=O)c1cc(C)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)o1 ZINC000896269446 971388781 /nfs/dbraw/zinc/38/87/81/971388781.db2.gz HTEISQNBRHSAJS-OAHLLOKOSA-N 0 0 373.405 2.902 20 10 FFCDRN O=C(Cc1[nH]nc2c1CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000189015668 971557438 /nfs/dbraw/zinc/55/74/38/971557438.db2.gz XPMBSUXQVILQGB-MRXNPFEDSA-N 0 0 369.465 2.744 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000053661779 971818288 /nfs/dbraw/zinc/81/82/88/971818288.db2.gz QNBASDINCGAHOA-QGZVFWFLSA-N 0 0 357.498 2.892 20 10 FFCDRN C[NH+]1CCC(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)SC2=S)CC1 ZINC001593775371 954603265 /nfs/dbraw/zinc/60/32/65/954603265.db2.gz MCVDSUKVEGHGSB-GXDHUFHOSA-N 0 0 362.476 2.680 20 10 FFCDRN C[C@H](NC(=O)c1ccc2nccnc2c1)c1ccc(N2CCOCC2)cc1 ZINC000124279487 972210740 /nfs/dbraw/zinc/21/07/40/972210740.db2.gz MYCVJFYVUILIHI-HNNXBMFYSA-N 0 0 362.433 2.957 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)ccc1N1CCOCC1 ZINC000843538903 959213418 /nfs/dbraw/zinc/21/34/18/959213418.db2.gz LZNATSREAYQWFE-UHFFFAOYSA-N 0 0 371.456 2.967 20 10 FFCDRN COc1cc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc(OC)c1OC ZINC000185477366 960754904 /nfs/dbraw/zinc/75/49/04/960754904.db2.gz DFRKEMDLSFUBKG-UHFFFAOYSA-N 0 0 370.449 2.983 20 10 FFCDRN C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773393533 1013274301 /nfs/dbraw/zinc/27/43/01/1013274301.db2.gz XCSVYGZRFDMSOB-VDGAXYAQSA-N 0 0 374.529 2.756 20 10 FFCDRN O=C1N(C2CCCC2)C[C@@]2(F)CN(Cc3c(O)cccc3F)C[C@@]12F ZINC001276031141 1013296724 /nfs/dbraw/zinc/29/67/24/1013296724.db2.gz DSCICYVMULZDQN-ZWKOTPCHSA-N 0 0 354.372 2.548 20 10 FFCDRN C[C@H](NC(=O)N[C@@H]1CCN(c2ccccn2)C1)c1ccc(N(C)C)cc1 ZINC000773421459 1013336129 /nfs/dbraw/zinc/33/61/29/1013336129.db2.gz DRWBSPAMLOACDE-DOTOQJQBSA-N 0 0 353.470 2.787 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3nc(C)no3)ccc21 ZINC000655356986 962616949 /nfs/dbraw/zinc/61/69/49/962616949.db2.gz OYGOSPKERRNARH-UHFFFAOYSA-N 0 0 356.426 2.868 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(CN1c3ccccc3CC1(C)C)cc2=O ZINC001175069522 1013367356 /nfs/dbraw/zinc/36/73/56/1013367356.db2.gz DIPNDOBTAZIMSH-UHFFFAOYSA-N 0 0 366.421 2.953 20 10 FFCDRN CCOc1ccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)c(F)c1F ZINC001175152930 1013392583 /nfs/dbraw/zinc/39/25/83/1013392583.db2.gz ZVDUHMAKRIETIE-UHFFFAOYSA-N 0 0 370.421 2.954 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873141971 1013400511 /nfs/dbraw/zinc/40/05/11/1013400511.db2.gz OGXIZFABGPTWOO-HOJAQTOUSA-N 0 0 373.497 2.622 20 10 FFCDRN CCOc1ccc(OC)cc1N(C)S(=O)(=O)Cc1ccc(N)cc1 ZINC001175212905 1013414541 /nfs/dbraw/zinc/41/45/41/1013414541.db2.gz LETLWUDBBSVYJM-UHFFFAOYSA-N 0 0 350.440 2.642 20 10 FFCDRN O=C1C[C@]2(CN1C1CCCC1)COCC[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001276085695 1013430965 /nfs/dbraw/zinc/43/09/65/1013430965.db2.gz JRPDLGOXJYEARF-FQEVSTJZSA-N 0 0 362.445 2.525 20 10 FFCDRN O=C1C[C@@]2(CN1Cc1cnoc1)CCCC[N@H+]2Cc1cccc(F)c1[O-] ZINC001276086245 1013431455 /nfs/dbraw/zinc/43/14/55/1013431455.db2.gz PBGNOMKQJXMIHP-LJQANCHMSA-N 0 0 359.401 2.677 20 10 FFCDRN O=C1N(CCC(F)(F)F)CC[C@@]12CC[N@@H+](Cc1cccc(F)c1[O-])C2 ZINC001276085366 1013431850 /nfs/dbraw/zinc/43/18/50/1013431850.db2.gz HASOUHJBFRODAL-MRXNPFEDSA-N 0 0 360.351 2.908 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3nccnc3C)CC2)cc1 ZINC000873241556 1013441106 /nfs/dbraw/zinc/44/11/06/1013441106.db2.gz FQXVZTAZHOTFIO-HNNXBMFYSA-N 0 0 369.469 2.823 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CC[C@](N)(C(F)(F)F)C2)c1 ZINC001206245307 1013440161 /nfs/dbraw/zinc/44/01/61/1013440161.db2.gz SSKLUUCZJNUYEL-GFCCVEGCSA-N 0 0 353.182 2.929 20 10 FFCDRN O=C(/C=C\c1cncc(O)c1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000588410185 963788402 /nfs/dbraw/zinc/78/84/02/963788402.db2.gz UATNHANULNIBIG-ZEVQVBBLSA-N 0 0 354.406 2.714 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCOc3ccc(N)cc3C2)cc1F ZINC000891456004 964344735 /nfs/dbraw/zinc/34/47/35/964344735.db2.gz JUFOPVAJUAAFGT-UHFFFAOYSA-N 0 0 358.417 2.578 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)c(F)c1 ZINC000157475890 964347409 /nfs/dbraw/zinc/34/74/09/964347409.db2.gz RFCWVLUNIDJYQE-UHFFFAOYSA-N 0 0 353.397 2.765 20 10 FFCDRN CCCC[C@H](NC(=O)NCC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178906049 964493080 /nfs/dbraw/zinc/49/30/80/964493080.db2.gz LFYPRSMNCQOMLE-SFHVURJKSA-N 0 0 360.502 2.781 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NC[C@@H](CO)c3ccccc3)ccc21 ZINC000176039097 964651029 /nfs/dbraw/zinc/65/10/29/964651029.db2.gz HTUAFYJFFXDRLN-IBGZPJMESA-N 0 0 353.466 2.644 20 10 FFCDRN CC[C@@H](C)N1CC[C@]2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2)C1=O ZINC001270385792 965023933 /nfs/dbraw/zinc/02/39/33/965023933.db2.gz 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966048392 /nfs/dbraw/zinc/04/83/92/966048392.db2.gz SKFOXHYJUACYFL-SFHVURJKSA-N 0 0 361.486 2.670 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1 ZINC000127822840 966618449 /nfs/dbraw/zinc/61/84/49/966618449.db2.gz VEHZDCFDJUQPEA-UHFFFAOYSA-N 0 0 372.513 2.687 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@H](c2ccc(F)cc2F)C1 ZINC000588530964 966668516 /nfs/dbraw/zinc/66/85/16/966668516.db2.gz WOJUMTRCHXCRRY-VGLFAYCPSA-N 0 0 361.344 2.989 20 10 FFCDRN Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000122001620 967123217 /nfs/dbraw/zinc/12/32/17/967123217.db2.gz MBXGAJDHNXQRLL-UHFFFAOYSA-N 0 0 369.490 2.803 20 10 FFCDRN O=C(NCc1ccccc1O)Nc1cnn(-c2cnc3ccccc3n2)c1 ZINC000760036799 967366548 /nfs/dbraw/zinc/36/65/48/967366548.db2.gz JDMROHZWCNIKRK-UHFFFAOYSA-N 0 0 360.377 2.843 20 10 FFCDRN O=C(N1CC=CC1)[C@@]12C[C@@H]1CCN2Cc1c(O)cccc1Br ZINC001280313090 967398543 /nfs/dbraw/zinc/39/85/43/967398543.db2.gz PPOSHCPHPCZQTE-YVEFUNNKSA-N 0 0 363.255 2.518 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC1CCC2(CC1)OCCO2 ZINC000046077551 967411339 /nfs/dbraw/zinc/41/13/39/967411339.db2.gz SPSBWZWNUADCTH-UHFFFAOYSA-N 0 0 361.486 2.970 20 10 FFCDRN COc1cc(Br)cnc1NCCc1cc(O)c(O)cc1O ZINC001168005616 967576699 /nfs/dbraw/zinc/57/66/99/967576699.db2.gz LIIFDOQADXJYQD-UHFFFAOYSA-N 0 0 355.188 2.624 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC000046599188 967715861 /nfs/dbraw/zinc/71/58/61/967715861.db2.gz ITSUQMMGKDGTDB-UHFFFAOYSA-N 0 0 370.453 2.751 20 10 FFCDRN O=c1cc(NCCc2cc(O)c(O)cc2O)ccn1Cc1cccc(F)c1 ZINC001168014588 968051727 /nfs/dbraw/zinc/05/17/27/968051727.db2.gz TXZIERUTTKRPEY-UHFFFAOYSA-N 0 0 370.380 2.807 20 10 FFCDRN COc1ccc(CC(=O)NCc2cc(O)ccc2O)c(Cl)c1OC ZINC001176754820 1013774185 /nfs/dbraw/zinc/77/41/85/1013774185.db2.gz HRGCGEHSENYGSI-UHFFFAOYSA-N 0 0 351.786 2.627 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1ccnc(-c2ccccc2)c1[N+](=O)[O-] ZINC001176755642 1013774324 /nfs/dbraw/zinc/77/43/24/1013774324.db2.gz 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CCOc1ccc(-n2c(C)cc(C(=O)CN(C)Cc3nc[nH]n3)c2C)cc1 ZINC000177146965 969070706 /nfs/dbraw/zinc/07/07/06/969070706.db2.gz HTNMHZNVSZVTLD-UHFFFAOYSA-N 0 0 367.453 2.926 20 10 FFCDRN COc1ccc([C@H](O)CNC(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773609630 1013848070 /nfs/dbraw/zinc/84/80/70/1013848070.db2.gz FQVOLKNBPQCXIZ-AUUYWEPGSA-N 0 0 357.454 2.855 20 10 FFCDRN CC(C)C(=O)N1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773612250 1013851704 /nfs/dbraw/zinc/85/17/04/1013851704.db2.gz LBRAHHVUXJBQKU-MRXNPFEDSA-N 0 0 360.502 2.714 20 10 FFCDRN C[C@H](NC(=O)N[C@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773614289 1013861471 /nfs/dbraw/zinc/86/14/71/1013861471.db2.gz SWSXCFJGDSYSKX-KSSFIOAISA-N 0 0 359.445 2.856 20 10 FFCDRN COc1ccccc1N1CC[C@H](CNC(=O)c2ccc(C)c(O)c2O)C1 ZINC000177678167 969301532 /nfs/dbraw/zinc/30/15/32/969301532.db2.gz WFHNSRYHWCYGPY-CQSZACIVSA-N 0 0 356.422 2.671 20 10 FFCDRN CCN(CC)C(=O)COC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000728638161 969341057 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Cc1cc(C(=O)Cn2nc(C)c(C)c(CO)c2=O)c(C)n1-c1ccccc1 ZINC000840209445 970697322 /nfs/dbraw/zinc/69/73/22/970697322.db2.gz VHBISQFYZWPICJ-UHFFFAOYSA-N 0 0 365.433 2.643 20 10 FFCDRN C[C@@H](NC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)c1ccccc1O ZINC000875433475 1014027983 /nfs/dbraw/zinc/02/79/83/1014027983.db2.gz QJFFMFURULULQQ-QAPCUYQASA-N 0 0 367.449 2.944 20 10 FFCDRN Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC000875504659 1014036559 /nfs/dbraw/zinc/03/65/59/1014036559.db2.gz LWHIOJKARLBPEF-CQSZACIVSA-N 0 0 374.462 2.588 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000875749604 1014071081 /nfs/dbraw/zinc/07/10/81/1014071081.db2.gz OBWXQAJGKDPPJE-HDICACEKSA-N 0 0 355.482 2.755 20 10 FFCDRN CC[C@H](C)N1CC[C@]2(CCCN(C(=O)c3cccc(O)c3O)CC2)C1=O ZINC001271433873 972993135 /nfs/dbraw/zinc/99/31/35/972993135.db2.gz PHIWZYPVPILTTI-VBKZILBWSA-N 0 0 360.454 2.741 20 10 FFCDRN Cc1cc(CNC(=O)NC[C@@H](CO)[C@@H]2CCOC2)c(C)n1-c1ccccc1 ZINC000875880325 1014091056 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ZINC000878531969 1015089499 /nfs/dbraw/zinc/08/94/99/1015089499.db2.gz SGZJZAGXVVZGBP-QGZVFWFLSA-N 0 0 355.413 2.773 20 10 FFCDRN Cc1cc(C(=O)OCc2nnc(C3CC3)n2C)c(C)n1-c1ccccn1 ZINC000170745759 985130154 /nfs/dbraw/zinc/13/01/54/985130154.db2.gz RWGXZLMENYLODE-UHFFFAOYSA-N 0 0 351.410 2.852 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3ccccc3N3CCOCC3)ccc21 ZINC000061199416 985173606 /nfs/dbraw/zinc/17/36/06/985173606.db2.gz BYJOUOGYMXARPY-UHFFFAOYSA-N 0 0 365.477 2.836 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NCCNC(=O)C(C)(C)C)cc2)CC1 ZINC000170994486 985193844 /nfs/dbraw/zinc/19/38/44/985193844.db2.gz RXEIIMVLTNZTGG-UHFFFAOYSA-N 0 0 374.529 2.884 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCCc2cccc(C(N)=O)c2)cc1 ZINC000171067411 985211713 /nfs/dbraw/zinc/21/17/13/985211713.db2.gz HGGJYPDJASLODX-UHFFFAOYSA-N 0 0 368.481 2.674 20 10 FFCDRN O=C1N[C@]2(CCc3ccccc32)C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000761356938 985226604 /nfs/dbraw/zinc/22/66/04/985226604.db2.gz CKKGULLAFAALBY-QFIPXVFZSA-N 0 0 359.429 2.956 20 10 FFCDRN O=C1N[C@H](c2ccccc2F)C(=O)N1Cc1ccc(N2CC=CC2)cc1 ZINC000761361472 985240938 /nfs/dbraw/zinc/24/09/38/985240938.db2.gz MVOVRALZUPJWGT-GOSISDBHSA-N 0 0 351.381 2.995 20 10 FFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000061582408 985275745 /nfs/dbraw/zinc/27/57/45/985275745.db2.gz GDTHXUUSWJJUCE-GFCCVEGCSA-N 0 0 366.343 2.617 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cnc(C4CC4)nc3)CC2)cc1 ZINC000171517899 985299944 /nfs/dbraw/zinc/29/99/44/985299944.db2.gz GIFZYNAEPWFCJH-UHFFFAOYSA-N 0 0 353.426 2.717 20 10 FFCDRN C[C@@H](c1ccncc1)N(C)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000127210561 1015116992 /nfs/dbraw/zinc/11/69/92/1015116992.db2.gz DOOFXQLIWKIKFZ-INIZCTEOSA-N 0 0 354.454 2.821 20 10 FFCDRN Cc1cc(C)n([C@H](C)C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1 ZINC000172313959 985511953 /nfs/dbraw/zinc/51/19/53/985511953.db2.gz MFDMIUHYBMLDIG-QGZVFWFLSA-N 0 0 370.497 2.586 20 10 FFCDRN O=C(CCC1CCOCC1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000173586733 985931440 /nfs/dbraw/zinc/93/14/40/985931440.db2.gz VQARKIOHKQENCV-UHFFFAOYSA-N 0 0 360.498 2.718 20 10 FFCDRN CC(=O)c1ccccc1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000174472045 986229852 /nfs/dbraw/zinc/22/98/52/986229852.db2.gz GEPSVRAMXSQQKW-UHFFFAOYSA-N 0 0 352.434 2.998 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2cccc(OC)c2O)cn1 ZINC000073623634 986389725 /nfs/dbraw/zinc/38/97/25/986389725.db2.gz DZCXYTMOGPGTIS-UHFFFAOYSA-N 0 0 358.442 2.641 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCc3nncn3CC2)cc1F ZINC000878784926 1015219173 /nfs/dbraw/zinc/21/91/73/1015219173.db2.gz IBFKSGAGYFKCRS-HNNXBMFYSA-N 0 0 359.449 2.532 20 10 FFCDRN O=C(NCCOCC1CCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000765890268 986809124 /nfs/dbraw/zinc/80/91/24/986809124.db2.gz CQYZXNJHUHOPHL-SFHVURJKSA-N 0 0 362.470 2.900 20 10 FFCDRN Cn1nc(C2CC2)cc1CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000914180559 987345031 /nfs/dbraw/zinc/34/50/31/987345031.db2.gz QUDVFTJGOHMLTO-UHFFFAOYSA-N 0 0 353.470 2.897 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H](c1ccccn1)C1CC1 ZINC000914336275 987449531 /nfs/dbraw/zinc/44/95/31/987449531.db2.gz SBTWCLFAIFHITP-HXUWFJFHSA-N 0 0 366.465 2.869 20 10 FFCDRN C[C@@H](NC(=O)N1CCn2cccc2C1)c1ccc(N2CCOCC2)cc1 ZINC000914400577 987477594 /nfs/dbraw/zinc/47/75/94/987477594.db2.gz OSICZCQBINWPRX-MRXNPFEDSA-N 0 0 354.454 2.611 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)c1ccc(CN2CCOCC2)o1 ZINC000878985453 1015313607 /nfs/dbraw/zinc/31/36/07/1015313607.db2.gz KKYTWVMKXSGKDS-UHFFFAOYSA-N 0 0 370.449 2.626 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccc(CN2CCCC2=O)c1 ZINC000761625450 987635246 /nfs/dbraw/zinc/63/52/46/987635246.db2.gz JLODWHZRGGIUKO-UHFFFAOYSA-N 0 0 369.421 2.584 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2cnc3sccn3c2=O)C2CC2)cc1 ZINC000914438480 987683113 /nfs/dbraw/zinc/68/31/13/987683113.db2.gz ALULCMJTFFYLII-UHFFFAOYSA-N 0 0 368.462 2.627 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@@H]2CCN(C)C(=O)C2)cc1 ZINC000914456265 987697937 /nfs/dbraw/zinc/69/79/37/987697937.db2.gz UPBJQWJTUFSOCM-QGZVFWFLSA-N 0 0 369.465 2.743 20 10 FFCDRN COc1c(F)ccc(N(C)S(=O)(=O)CCc2ccc(N)cc2)c1F ZINC001212503777 987820396 /nfs/dbraw/zinc/82/03/96/987820396.db2.gz WRISEYXFMVWJQW-UHFFFAOYSA-N 0 0 356.394 2.564 20 10 FFCDRN CN(C[C@@H]1OCCc2ccccc21)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000761888647 987961584 /nfs/dbraw/zinc/96/15/84/987961584.db2.gz CQQVLNMLNPKMJX-SFHVURJKSA-N 0 0 369.377 2.676 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN2Cc2ccccn2)c1 ZINC000761966829 988007191 /nfs/dbraw/zinc/00/71/91/988007191.db2.gz ANMPXMNBIYUDOI-KDOFPFPSSA-N 0 0 355.438 2.638 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCOc2ccccc2[N+](=O)[O-])c1 ZINC000761973400 988017579 /nfs/dbraw/zinc/01/75/79/988017579.db2.gz PJEORDPPRVNWMJ-GFCCVEGCSA-N 0 0 360.366 2.955 20 10 FFCDRN COc1ccc2nc(C)c(C(=O)NCCc3ccc(O)c(O)c3)cc2c1 ZINC000762275472 988269116 /nfs/dbraw/zinc/26/91/16/988269116.db2.gz RHIRDUDMDYHTGJ-UHFFFAOYSA-N 0 0 352.390 2.936 20 10 FFCDRN CCOC(=O)NCCC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000915262439 988357295 /nfs/dbraw/zinc/35/72/95/988357295.db2.gz WJDKIBWOJZOSPA-UHFFFAOYSA-N 0 0 357.454 2.889 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(O)c(O)c2)c(C)n1Cc1ccncc1 ZINC000762622585 988519786 /nfs/dbraw/zinc/51/97/86/988519786.db2.gz NLZQTHFFVONNCB-UHFFFAOYSA-N 0 0 351.406 2.889 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(-c2ccoc2)n[nH]1 ZINC000915699478 988864442 /nfs/dbraw/zinc/86/44/42/988864442.db2.gz IJIKAYYCRQBPCJ-UHFFFAOYSA-N 0 0 366.421 2.779 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSCc1cccnc1 ZINC000915699482 988865367 /nfs/dbraw/zinc/86/53/67/988865367.db2.gz INOIHMKDILRTCD-UHFFFAOYSA-N 0 0 371.506 2.810 20 10 FFCDRN Cc1cc(CCNC(=O)NCCCn2cncn2)c(C)n1-c1ccccc1 ZINC000916221207 989761748 /nfs/dbraw/zinc/76/17/48/989761748.db2.gz UKHSJWVDUQPDFT-UHFFFAOYSA-N 0 0 366.469 2.618 20 10 FFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCCN1CCCCCC1=O ZINC000154064864 989826096 /nfs/dbraw/zinc/82/60/96/989826096.db2.gz UIFZCLPQNXPYTL-UHFFFAOYSA-N 0 0 368.437 2.773 20 10 FFCDRN CC(=O)c1ccc(OCCCC(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000916590491 989831737 /nfs/dbraw/zinc/83/17/37/989831737.db2.gz GAVTUPSBPCARJP-UHFFFAOYSA-N 0 0 372.373 2.886 20 10 FFCDRN C[C@H](NCc1ccc(N2CCOCC2)cc1)c1cn(-c2ccccc2)nn1 ZINC000154082875 989836768 /nfs/dbraw/zinc/83/67/68/989836768.db2.gz LJMPOAUOCGPOHP-KRWDZBQOSA-N 0 0 363.465 2.955 20 10 FFCDRN CSc1nnnn1-c1cccc(NC(=O)N(C)Cc2ccccc2O)c1 ZINC000916681071 989896691 /nfs/dbraw/zinc/89/66/91/989896691.db2.gz VZIGKICVMGXBJM-UHFFFAOYSA-N 0 0 370.438 2.754 20 10 FFCDRN COCc1ccccc1CNC(=O)CN1CCCc2cc(OC)ccc21 ZINC000917077342 990118404 /nfs/dbraw/zinc/11/84/04/990118404.db2.gz JRGCINAYVNMDBW-UHFFFAOYSA-N 0 0 354.450 2.911 20 10 FFCDRN COc1ccc2c(c1)CCCN2CC(=O)NCCOc1cccc(F)c1 ZINC000917077824 990121984 /nfs/dbraw/zinc/12/19/84/990121984.db2.gz UEXHVULZWWVDPC-UHFFFAOYSA-N 0 0 358.413 2.782 20 10 FFCDRN COC(=O)Cc1csc(NC(=O)c2cc(C)n(-c3ccccn3)c2C)n1 ZINC000917110503 990142288 /nfs/dbraw/zinc/14/22/88/990142288.db2.gz VJIWFAYYEXHMQM-UHFFFAOYSA-N 0 0 370.434 2.913 20 10 FFCDRN COC[C@@H](O)C(=O)OCC(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000766146014 990263307 /nfs/dbraw/zinc/26/33/07/990263307.db2.gz DWSKONRWXWBVOP-MRXNPFEDSA-N 0 0 357.366 2.591 20 10 FFCDRN C[C@@H]1C[C@H](C)CN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000918117576 990338256 /nfs/dbraw/zinc/33/82/56/990338256.db2.gz GSHKIYCJLBSGPT-SOLBZPMBSA-N 0 0 372.513 2.576 20 10 FFCDRN CC(=O)Nc1c(C)ccc(NC(=O)C(=O)N(C)Cc2ccccc2O)c1C ZINC000918444795 990395673 /nfs/dbraw/zinc/39/56/73/990395673.db2.gz WRSKQPCAQUORJO-UHFFFAOYSA-N 0 0 369.421 2.565 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC(CC(=O)OC)CC2)c([N+](=O)[O-])c1 ZINC000918735634 990483038 /nfs/dbraw/zinc/48/30/38/990483038.db2.gz KPTMPKWACMRHLL-GQCTYLIASA-N 0 0 362.382 2.561 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CCC2(CCOCC2)O1 ZINC000919081643 990566995 /nfs/dbraw/zinc/56/69/95/990566995.db2.gz LJXDFSBVMRRQNP-GOSISDBHSA-N 0 0 361.486 2.588 20 10 FFCDRN COCCOCC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000919222786 990596096 /nfs/dbraw/zinc/59/60/96/990596096.db2.gz CRHWYYJEDKWCEP-UHFFFAOYSA-N 0 0 363.385 2.622 20 10 FFCDRN CCc1onc(C)c1CNC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000922950139 990762529 /nfs/dbraw/zinc/76/25/29/990762529.db2.gz CTTDTAQNZOPNKO-OAHLLOKOSA-N 0 0 372.469 2.880 20 10 FFCDRN CCN(Cc1ccccc1)C(=O)CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000920050047 990782830 /nfs/dbraw/zinc/78/28/30/990782830.db2.gz SKBOTILCHGFCAI-UHFFFAOYSA-N 0 0 368.481 2.601 20 10 FFCDRN CC[C@H](C)[C@H](C)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000920048801 990783241 /nfs/dbraw/zinc/78/32/41/990783241.db2.gz LEBWHUWNPAQSCZ-ZOBUZTSGSA-N 0 0 360.502 2.622 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NCc3cc(C(N)=O)co3)cc2)CC1 ZINC000187057235 990788789 /nfs/dbraw/zinc/78/87/89/990788789.db2.gz IWQCWRBWIGGOAP-UHFFFAOYSA-N 0 0 370.453 2.614 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](c3ncccn3)C3CC3)C2)cc1 ZINC000923185209 990942812 /nfs/dbraw/zinc/94/28/12/990942812.db2.gz OKTBWGGNDBJGIJ-YJBOKZPZSA-N 0 0 367.453 2.514 20 10 FFCDRN CCN(CC(=O)Nc1ccccc1C(=O)OC)c1ccc(OC)c(OC)c1 ZINC000921060904 990965082 /nfs/dbraw/zinc/96/50/82/990965082.db2.gz DCGNHLGSVYMVIT-UHFFFAOYSA-N 0 0 372.421 2.955 20 10 FFCDRN COc1cc(CN2CCN(C(=O)Cc3ccccc3)CC2)c(O)cc1C ZINC000179438683 991250594 /nfs/dbraw/zinc/25/05/94/991250594.db2.gz DTPUALOTOYRQRS-UHFFFAOYSA-N 0 0 354.450 2.596 20 10 FFCDRN C[C@@H]([NH2+]CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)c1ccccc1O ZINC000879648353 1015623337 /nfs/dbraw/zinc/62/33/37/1015623337.db2.gz LBRVWJPLTDQSNC-AUUYWEPGSA-N 0 0 358.413 2.782 20 10 FFCDRN COc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)c2ccccc2O)cc1OC ZINC000879648000 1015623415 /nfs/dbraw/zinc/62/34/15/1015623415.db2.gz VLOCUXUVQOTOBL-KGLIPLIRSA-N 0 0 358.438 2.765 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1cccc2c1OCCO2 ZINC000804225434 991302517 /nfs/dbraw/zinc/30/25/17/991302517.db2.gz ZVCNLKLGUIJPOE-UHFFFAOYSA-N 0 0 374.780 2.786 20 10 FFCDRN COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)cc1OC ZINC000879653942 1015627603 /nfs/dbraw/zinc/62/76/03/1015627603.db2.gz YULFIQBXWYZPNK-HOCLYGCPSA-N 0 0 361.438 2.638 20 10 FFCDRN 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COC(=O)[C@H]1CN(Cc2ccccc2)CCN1Cc1ccc(N(C)C)cc1 ZINC001203937135 1030994624 /nfs/dbraw/zinc/99/46/24/1030994624.db2.gz MGRCFBNPBYSMFR-OAQYLSRUSA-N 0 0 367.493 2.612 20 10 FFCDRN COC(=O)c1cncc(C(=O)OC[C@H]2CCN(c3ccc(OC)cc3)C2)c1 ZINC000842874319 1031008228 /nfs/dbraw/zinc/00/82/28/1031008228.db2.gz BZVLVBJBIRXJDO-AWEZNQCLSA-N 0 0 370.405 2.560 20 10 FFCDRN CCNC(=O)c1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(C)c1 ZINC000797617199 1031164132 /nfs/dbraw/zinc/16/41/32/1031164132.db2.gz POTZGSNNVSMHQM-CYBMUJFWSA-N 0 0 371.437 2.909 20 10 FFCDRN CCN(CC(=O)NCc1ccc(F)cc1)Cc1cc(F)c(F)cc1O ZINC001204229291 1031175218 /nfs/dbraw/zinc/17/52/18/1031175218.db2.gz KRDBRXVJJMWXDJ-UHFFFAOYSA-N 0 0 352.356 2.948 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)COc2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000797743679 1031199645 /nfs/dbraw/zinc/19/96/45/1031199645.db2.gz JQOLWTIOCLKRFJ-GFCCVEGCSA-N 0 0 360.366 2.874 20 10 FFCDRN O=C(NCc1ccccc1O)[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000797745201 1031200441 /nfs/dbraw/zinc/20/04/41/1031200441.db2.gz YAMDIOVXDGWDJX-QGZVFWFLSA-N 0 0 354.406 2.810 20 10 FFCDRN COc1cc(CN2CCN(c3ccc(F)cc3F)CC2)cc(O)c1O ZINC001204345399 1031239792 /nfs/dbraw/zinc/23/97/92/1031239792.db2.gz QNMONAADSOIYPV-UHFFFAOYSA-N 0 0 350.365 2.707 20 10 FFCDRN COc1cc(CN2CCC[C@H]3[C@@H]2CN3C(=O)OC(C)(C)C)cc(O)c1O ZINC001204345680 1031239800 /nfs/dbraw/zinc/23/98/00/1031239800.db2.gz AAHMXQBDKAHFBK-KBPBESRZSA-N 0 0 364.442 2.690 20 10 FFCDRN COc1ccc(O[C@H]2CCCN(Cc3cc(O)c(O)c(OC)c3)C2)nc1 ZINC001204350764 1031247289 /nfs/dbraw/zinc/24/72/89/1031247289.db2.gz IUEBLAIGXLXKBZ-HNNXBMFYSA-N 0 0 360.410 2.553 20 10 FFCDRN Cc1cc(NCCNC(=O)c2ccc(-n3c(C)ccc3C)cc2)n(C)n1 ZINC000798140959 1031317367 /nfs/dbraw/zinc/31/73/67/1031317367.db2.gz MICPSKWHMJIEDS-UHFFFAOYSA-N 0 0 351.454 2.978 20 10 FFCDRN COc1cccnc1CC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000798169494 1031326154 /nfs/dbraw/zinc/32/61/54/1031326154.db2.gz GOOWDCVGDOBTIN-INIZCTEOSA-N 0 0 356.422 2.546 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cn4c(n3)CCCC4)CC2)cc1 ZINC000799329961 1031738796 /nfs/dbraw/zinc/73/87/96/1031738796.db2.gz USARYTPNHJVJIH-UHFFFAOYSA-N 0 0 354.454 2.627 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)[C@@H](C)NC(=O)CCc2ccccc2)c1 ZINC000799697322 1031862683 /nfs/dbraw/zinc/86/26/83/1031862683.db2.gz CVEOKULAHYLLSA-LSDHHAIUSA-N 0 0 370.449 2.716 20 10 FFCDRN O=C(NCc1cc(Cl)c2cccnc2c1O)c1ncnc2[nH]ccc21 ZINC001151877613 1032051195 /nfs/dbraw/zinc/05/11/95/1032051195.db2.gz ZDZAOPUWTUFQFC-UHFFFAOYSA-N 0 0 353.769 2.747 20 10 FFCDRN COc1ccc(C)cc1N1C[C@@H](C(=O)N[C@@H](C)c2ccccc2O)CC1=O ZINC001151892761 1032057182 /nfs/dbraw/zinc/05/71/82/1032057182.db2.gz ZQVGSWLMKGFECK-GJZGRUSLSA-N 0 0 368.433 2.940 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@@H](C)[C@H](O)C2)cc1 ZINC001137910415 1033342824 /nfs/dbraw/zinc/34/28/24/1033342824.db2.gz VPMVBGWDYQHQAW-JLTOFOAXSA-N 0 0 354.450 2.678 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1 ZINC001137910418 1033342960 /nfs/dbraw/zinc/34/29/60/1033342960.db2.gz VPMVBGWDYQHQAW-XOBRGWDASA-N 0 0 354.450 2.678 20 10 FFCDRN Cc1cc(C(=O)Cn2nnnc2CN)c(C)n1-c1ccc(C(C)C)cc1 ZINC000830456569 1033622077 /nfs/dbraw/zinc/62/20/77/1033622077.db2.gz SSOBMQGKSBMDDP-UHFFFAOYSA-N 0 0 352.442 2.546 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCCO[C@@H]1CCOC1 ZINC001223877093 1033623196 /nfs/dbraw/zinc/62/31/96/1033623196.db2.gz XTWDZERIMDCUJH-LJQANCHMSA-N 0 0 361.486 2.624 20 10 FFCDRN Oc1c(F)cccc1CN1CCO[C@H]2[C@H](OCC3CCOCC3)CC[C@@H]21 ZINC001138125613 1033803255 /nfs/dbraw/zinc/80/32/55/1033803255.db2.gz UMXDSLLVOABMAT-NLWGTHIKSA-N 0 0 365.445 2.706 20 10 FFCDRN [O-]c1c(F)cccc1C[NH+]1CCC2(CC1)CN(c1ccccn1)CCO2 ZINC001138127332 1033809721 /nfs/dbraw/zinc/80/97/21/1033809721.db2.gz WYORCFHCOUIUBD-UHFFFAOYSA-N 0 0 357.429 2.798 20 10 FFCDRN CC(=O)N1CC[C@@H](CN(C)C(=O)Cc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000831171380 1033975980 /nfs/dbraw/zinc/97/59/80/1033975980.db2.gz CKZJDJCORCWMAJ-IBGZPJMESA-N 0 0 367.493 2.963 20 10 FFCDRN CN(C)[C@@H](CCNC(=O)NCc1ccc2c(c1)CCCN2C)C(F)(F)F ZINC001225137861 1034142831 /nfs/dbraw/zinc/14/28/31/1034142831.db2.gz BCYNPQHDZROAGJ-INIZCTEOSA-N 0 0 372.435 2.751 20 10 FFCDRN CO[C@H](C)C1CN(Cc2ccc(N3CCOCC3)c(Br)c2)C1 ZINC001138677858 1034537687 /nfs/dbraw/zinc/53/76/87/1034537687.db2.gz QLTQUWUNSJXTSK-CYBMUJFWSA-N 0 0 369.303 2.752 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCC1CC2(C1)OCCO2 ZINC000832169545 1034606272 /nfs/dbraw/zinc/60/62/72/1034606272.db2.gz VJLFHSABEYWCOD-UHFFFAOYSA-N 0 0 368.433 2.790 20 10 FFCDRN Cc1cc(CC(=O)NCC2CC3(C2)OCCO3)c(C)n1-c1ccccc1 ZINC000832168867 1034606729 /nfs/dbraw/zinc/60/67/29/1034606729.db2.gz HTGPVNZEMNAASU-UHFFFAOYSA-N 0 0 354.450 2.906 20 10 FFCDRN CO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)C12CCC2 ZINC000832204435 1034627033 /nfs/dbraw/zinc/62/70/33/1034627033.db2.gz LXCTXIGHROLKMG-RTBURBONSA-N 0 0 359.514 2.600 20 10 FFCDRN Oc1c(O)c(O)c(O[C@@H]2Cc3cccc(Br)c3C2)c(O)c1O ZINC001226467429 1034697365 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/nfs/dbraw/zinc/38/79/82/1035387982.db2.gz NOELVLJOUBIALK-OAHLLOKOSA-N 0 0 374.506 2.530 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)[C@@H](C)n1cccn1 ZINC000834514465 1035401914 /nfs/dbraw/zinc/40/19/14/1035401914.db2.gz OXEVMIRLMXWHEB-OAHLLOKOSA-N 0 0 372.469 2.833 20 10 FFCDRN Cc1cc(CC(=O)N2CCO[C@H](C(=O)C3CC3)C2)c(C)n1-c1ccccc1 ZINC000834565626 1035407751 /nfs/dbraw/zinc/40/77/51/1035407751.db2.gz WAJZMBACIRDHIK-FQEVSTJZSA-N 0 0 366.461 2.843 20 10 FFCDRN COC1(CO)CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC000834584629 1035410487 /nfs/dbraw/zinc/41/04/87/1035410487.db2.gz SCJUEBWKMVNMRH-UHFFFAOYSA-N 0 0 356.466 2.637 20 10 FFCDRN OC1CCN(c2ccc(CN3CC(N4CCC(F)(F)CC4)C3)cc2)CC1 ZINC001140285484 1035419017 /nfs/dbraw/zinc/41/90/17/1035419017.db2.gz LRQIUJSSAMFRSV-UHFFFAOYSA-N 0 0 365.468 2.563 20 10 FFCDRN Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]2CN(c3ncccn3)CCO[C@@H]2C1 ZINC001140339228 1035443820 /nfs/dbraw/zinc/44/38/20/1035443820.db2.gz GDGLOQRRJZWSPG-RDTXWAMCSA-N 0 0 374.872 2.563 20 10 FFCDRN Oc1cccc(Cl)c1CN1Cc2nccn2C[C@@H](Cn2cccn2)C1 ZINC001140340527 1035444380 /nfs/dbraw/zinc/44/43/80/1035444380.db2.gz XYWJMLCIFMRRLF-AWEZNQCLSA-N 0 0 357.845 2.771 20 10 FFCDRN O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CC[N@H+]2Cc1c(O)cccc1Cl ZINC001140344378 1035446013 /nfs/dbraw/zinc/44/60/13/1035446013.db2.gz IXHQUQYLMIBMDE-CABCVRRESA-N 0 0 363.870 2.991 20 10 FFCDRN COC(=O)N1CCN(c2ccc(N[C@@H]3CCc4cccc(O)c43)cn2)CC1 ZINC000834815505 1035455899 /nfs/dbraw/zinc/45/58/99/1035455899.db2.gz WSBIDEWSRKHPGZ-MRXNPFEDSA-N 0 0 368.437 2.775 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H](C)C(=O)Nc2cccnc2C)c1 ZINC000834910497 1035473496 /nfs/dbraw/zinc/47/34/96/1035473496.db2.gz HVYFDEPOMRDWHG-AAEUAGOBSA-N 0 0 357.410 2.560 20 10 FFCDRN Oc1cc(Cl)ccc1CN1CCO[C@@]2(CCCN(c3cnccn3)C2)C1 ZINC001140465275 1035485157 /nfs/dbraw/zinc/48/51/57/1035485157.db2.gz MHERLDQBQMMZGD-IBGZPJMESA-N 0 0 374.872 2.707 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](CO)Cc2ccc(C)c(C)c2)ccc1[N+](=O)[O-] ZINC000835075600 1035512168 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Cc1nnc(N2CCC(C)CC2)n1Cc1ccc(N2CCOCC2)cc1 ZINC001290772753 1048384684 /nfs/dbraw/zinc/38/46/84/1048384684.db2.gz TUEPEGJSNTZDDT-UHFFFAOYSA-N 0 0 355.486 2.708 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3ccn(C4CCOCC4)n3)ccc21 ZINC001328739479 1048444270 /nfs/dbraw/zinc/44/42/70/1048444270.db2.gz BGXVJJYQAIQGDQ-UHFFFAOYSA-N 0 0 354.454 2.547 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCNC(=O)[C@@H]2C(C)C)c1 ZINC001328833451 1048483296 /nfs/dbraw/zinc/48/32/96/1048483296.db2.gz DXHYCJBHGOLIBD-IBGZPJMESA-N 0 0 367.449 2.503 20 10 FFCDRN COC(=O)[C@@H](NCc1cc(C)cc(OC)c1O)c1cc(F)ccc1F ZINC001332705911 1048516697 /nfs/dbraw/zinc/51/66/97/1048516697.db2.gz SRHAGYNMJVBFFS-INIZCTEOSA-N 0 0 351.349 2.991 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(C(F)F)o1 ZINC001328936981 1048524891 /nfs/dbraw/zinc/52/48/91/1048524891.db2.gz KBOBXVVOXBAVDL-JTQLQIEISA-N 0 0 369.320 2.533 20 10 FFCDRN Oc1cccc(Br)c1CNc1ccnn1C[C@@H]1CCOC1 ZINC001329139935 1048593612 /nfs/dbraw/zinc/59/36/12/1048593612.db2.gz 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/nfs/dbraw/zinc/51/56/41/1051515641.db2.gz MQDNACWNPBDVAC-UHFFFAOYSA-N 0 0 360.357 2.908 20 10 FFCDRN CN1C(=O)C[C@H](C(=O)Nc2c3nonc3ccc2Cl)c2ccccc21 ZINC001342949290 1051562902 /nfs/dbraw/zinc/56/29/02/1051562902.db2.gz BBQTYHPMDSBOQP-JTQLQIEISA-N 0 0 356.769 2.965 20 10 FFCDRN Cc1cc(-c2nnc(CN3CCCS3(=O)=O)o2)c(C)n1-c1ccccc1 ZINC001341252141 1051611219 /nfs/dbraw/zinc/61/12/19/1051611219.db2.gz BVPMOKWWOZSBRJ-UHFFFAOYSA-N 0 0 372.450 2.680 20 10 FFCDRN CCn1c(-c2cnc(COC)s2)nnc1N(C)Cc1ccccc1O ZINC001343003255 1051619873 /nfs/dbraw/zinc/61/98/73/1051619873.db2.gz YZNJZPHEOWYKMM-UHFFFAOYSA-N 0 0 359.455 2.910 20 10 FFCDRN Cc1nnc(N2CC[C@H](C)[C@H]2C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001304817487 1051718766 /nfs/dbraw/zinc/71/87/66/1051718766.db2.gz OAAFUCWYCMTBHZ-JKSUJKDBSA-N 0 0 355.486 2.706 20 10 FFCDRN O=C(Nc1n[nH]c(-c2ccncc2)n1)c1cc2cc(O)c(O)cc2s1 ZINC001542618240 1071267049 /nfs/dbraw/zinc/26/70/49/1071267049.db2.gz SKKDDDPDLGTNEP-UHFFFAOYSA-N 0 0 353.363 2.745 20 10 FFCDRN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1c(F)ccc(O)c1O ZINC001306192180 1052059278 /nfs/dbraw/zinc/05/92/78/1052059278.db2.gz SUQBTXBSJKCOIB-UHFFFAOYSA-N 0 0 367.760 2.982 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)O[C@@H]3CCC(=O)N(C)C3)c2C)cc1 ZINC001343360347 1052183535 /nfs/dbraw/zinc/18/35/35/1052183535.db2.gz HCXCYWFGVACBMI-QGZVFWFLSA-N 0 0 356.422 2.880 20 10 FFCDRN CN(C)c1ccc(CNc2ncnc3c2nnn3Cc2ccccc2)cc1 ZINC001306917572 1052221269 /nfs/dbraw/zinc/22/12/69/1052221269.db2.gz IWMMLILBTVPTBB-UHFFFAOYSA-N 0 0 359.437 2.948 20 10 FFCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H]1CCS(=O)(=O)C1 ZINC001306925224 1052222757 /nfs/dbraw/zinc/22/27/57/1052222757.db2.gz GOEQTCGZSXGZPJ-ZDUSSCGKSA-N 0 0 374.418 2.672 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SC[C@@](O)(C(N)=O)c1ccccc1 ZINC001307272588 1052278205 /nfs/dbraw/zinc/27/82/05/1052278205.db2.gz SPJGWYFVEFUFMA-IBGZPJMESA-N 0 0 353.447 2.552 20 10 FFCDRN C[C@H](NC(=O)Nc1ccc(CO)cc1)c1ccc(N2CCOCC2)cc1 ZINC001345402107 1052426423 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CC(C)(C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)C(F)(F)F ZINC001346601982 1053146657 /nfs/dbraw/zinc/14/66/57/1053146657.db2.gz KAPYCTMVHIXGPL-UHFFFAOYSA-N 0 0 362.367 2.992 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)Cc3ccn(C(C)C)n3)CC2)cc1 ZINC001335273894 1053276956 /nfs/dbraw/zinc/27/69/56/1053276956.db2.gz OSURMDFVSCMKKF-UHFFFAOYSA-N 0 0 356.470 2.754 20 10 FFCDRN Nc1ccc(CNC(=O)N[C@H]2C[C@H](C(=O)OCc3ccccc3)C2)cc1 ZINC001335590987 1053452400 /nfs/dbraw/zinc/45/24/00/1053452400.db2.gz NYKZSAOGLFCSQV-SAABIXHNSA-N 0 0 353.422 2.590 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H](c2nccn2C)C(F)(F)F)cc1F ZINC001347316567 1053833588 /nfs/dbraw/zinc/83/35/88/1053833588.db2.gz XUTSIWHIWQWQQP-ZDUSSCGKSA-N 0 0 373.354 2.728 20 10 FFCDRN Cc1nnc(N2CCCC2(C)C)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001543277105 1071435154 /nfs/dbraw/zinc/43/51/54/1071435154.db2.gz DDFQVIABENAMRG-UHFFFAOYSA-N 0 0 373.476 2.989 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)NC3([C@H]4CCCO4)CCC3)C2)cc1 ZINC001347650412 1054193455 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CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H](C)CC(F)F ZINC001349268921 1055167604 /nfs/dbraw/zinc/16/76/04/1055167604.db2.gz GGWUWKZWXVNUPL-ZDUSSCGKSA-N 0 0 356.413 2.928 20 10 FFCDRN Cc1ncsc1/C=C\C(=O)N1CCCc2c1cccc2S(C)(=O)=O ZINC001356022333 1055224187 /nfs/dbraw/zinc/22/41/87/1055224187.db2.gz JIYFSKJWCQVTOM-HJWRWDBZSA-N 0 0 362.476 2.848 20 10 FFCDRN Nc1ccc(CN2CCNC(=O)[C@@H]2c2ccc(OC(F)(F)F)cc2)cc1 ZINC001356083633 1055275130 /nfs/dbraw/zinc/27/51/30/1055275130.db2.gz WGFDCTSWXIPNRW-INIZCTEOSA-N 0 0 365.355 2.841 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1F ZINC001349503155 1055302372 /nfs/dbraw/zinc/30/23/72/1055302372.db2.gz USEKCZAALNWWED-JKSUJKDBSA-N 0 0 350.434 2.918 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCC(=O)N1CCC[C@H](C)C1 ZINC001349599989 1055362542 /nfs/dbraw/zinc/36/25/42/1055362542.db2.gz YGTAOKSHJSZQHW-KRWDZBQOSA-N 0 0 374.529 2.933 20 10 FFCDRN C[C@H](NCc1ccc(N2CCOCC2)cc1)C(=O)OCc1ccccc1 ZINC000848921326 1055368148 /nfs/dbraw/zinc/36/81/48/1055368148.db2.gz RKGSZCAIHIQJOQ-KRWDZBQOSA-N 0 0 354.450 2.745 20 10 FFCDRN COc1ccc(O)c(CN[C@@H](Cc2ccncc2)C(=O)OC(C)(C)C)c1 ZINC000848929523 1055385794 /nfs/dbraw/zinc/38/57/94/1055385794.db2.gz XRVIIVTXWLYXCR-KRWDZBQOSA-N 0 0 358.438 2.838 20 10 FFCDRN COC(=O)CCNC(=S)N[C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001200007572 1055396166 /nfs/dbraw/zinc/39/61/66/1055396166.db2.gz BQTJDQYUATYVLL-INIZCTEOSA-N 0 0 350.484 2.660 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@@H](C)O[C@H](C(F)(F)F)C1 ZINC001356279531 1055432353 /nfs/dbraw/zinc/43/23/53/1055432353.db2.gz YQCHCCQAXZFAPG-SCZZXKLOSA-N 0 0 362.377 2.888 20 10 FFCDRN Oc1c(CNC(=S)NC[C@H]2CCCO2)cc(Cl)c2cccnc12 ZINC001200036090 1055472745 /nfs/dbraw/zinc/47/27/45/1055472745.db2.gz XXZLKLIDSZOPEF-LLVKDONJSA-N 0 0 351.859 2.737 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C)c1 ZINC000847316308 1055476551 /nfs/dbraw/zinc/47/65/51/1055476551.db2.gz GHWUOKTVKLKIQT-HNNXBMFYSA-N 0 0 366.458 2.814 20 10 FFCDRN CCn1c(-c2ncc(C)o2)nnc1N(C)CCN(C)c1ccc(OC)cc1 ZINC001356405719 1055490696 /nfs/dbraw/zinc/49/06/96/1055490696.db2.gz JFGMUOIUAYGORG-UHFFFAOYSA-N 0 0 370.457 2.843 20 10 FFCDRN C[C@H](CNC(=O)NCc1ccc(N2CC=CC2)cc1)C(=O)OC(C)(C)C ZINC000847323377 1055496322 /nfs/dbraw/zinc/49/63/22/1055496322.db2.gz FOAVODQATYSKHA-OAHLLOKOSA-N 0 0 359.470 2.840 20 10 FFCDRN C[C@@H]1C[C@]2(CC[C@H](CNC(=O)NCc3ccc4c(c3)CCCN4C)O2)CO1 ZINC001350115634 1055631950 /nfs/dbraw/zinc/63/19/50/1055631950.db2.gz UXHSYLNLGQHLGG-FQELHTAISA-N 0 0 373.497 2.595 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)Cc3ccccn3)C2)cc1 ZINC000847387154 1055670526 /nfs/dbraw/zinc/67/05/26/1055670526.db2.gz LVANVOJFOCKNEG-SJORKVTESA-N 0 0 368.481 2.847 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)C2N=NC(=O)N2C)c(C)n1-c1ccccc1C ZINC001300072971 1055676685 /nfs/dbraw/zinc/67/66/85/1055676685.db2.gz LBDLJNHSQZODNF-CYBMUJFWSA-N 0 0 353.426 2.728 20 10 FFCDRN Cc1cc(C(=O)N[C@H](C)C2N=NC(=O)N2C)c(C)n1-c1ccc(F)cc1 ZINC001300074387 1055681481 /nfs/dbraw/zinc/68/14/81/1055681481.db2.gz QYVVCSPLNTXBTN-LLVKDONJSA-N 0 0 357.389 2.558 20 10 FFCDRN C[C@@H](NC(=O)c1cccc2[nH]c(=O)[nH]c21)c1ccc(N2CCOCC2)cc1 ZINC000847393670 1055689509 /nfs/dbraw/zinc/68/95/09/1055689509.db2.gz NIXPTZPBSBEGFF-CYBMUJFWSA-N 0 0 366.421 2.596 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H]2CCc3ccccc3NC2=O)c1 ZINC000847396982 1055694429 /nfs/dbraw/zinc/69/44/29/1055694429.db2.gz MKENDGTXQPRVIS-SJCJKPOMSA-N 0 0 369.421 2.715 20 10 FFCDRN CC(=O)c1cc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1C ZINC000847479175 1055882095 /nfs/dbraw/zinc/88/20/95/1055882095.db2.gz OJQIKFCMIMBPBK-UHFFFAOYSA-N 0 0 367.449 2.861 20 10 FFCDRN CC[C@]1(C(=O)NCc2ccc(O)cc2O)CCN(C(=O)OC(C)(C)C)C1 ZINC001350790787 1055940847 /nfs/dbraw/zinc/94/08/47/1055940847.db2.gz WWEGYSSZTRFDDY-IBGZPJMESA-N 0 0 364.442 2.751 20 10 FFCDRN CC(C)(C)OC(=O)NCC[C@@H](NC(=O)C1=CC(=O)CS1)C(F)F ZINC001351013217 1056042280 /nfs/dbraw/zinc/04/22/80/1056042280.db2.gz PQHSTTHRLBTYEH-SECBINFHSA-N 0 0 350.387 2.732 20 10 FFCDRN Cc1cccc2nc(CCNC(=O)c3ccc(N=NC(N)=O)cc3)cn21 ZINC001300193625 1056067410 /nfs/dbraw/zinc/06/74/10/1056067410.db2.gz BLGWAOHRQXKTHJ-UHFFFAOYSA-N 0 0 350.382 2.778 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)NC[C@H]1CC2(CCC2)CO1 ZINC001353126315 1056093016 /nfs/dbraw/zinc/09/30/16/1056093016.db2.gz MEEVKMVOLBCDFY-GFCCVEGCSA-N 0 0 369.259 2.913 20 10 FFCDRN CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H](C)c3cc(OC)ccc3O)cc21 ZINC000847589983 1056113384 /nfs/dbraw/zinc/11/33/84/1056113384.db2.gz PWJCISAZNVIAJC-NSHDSACASA-N 0 0 355.394 2.967 20 10 FFCDRN CC(C)[C@H]1CN(c2nnc(-c3sc4ncccc4c3[O-])n2C)CC[N@@H+]1C ZINC001351383793 1056235095 /nfs/dbraw/zinc/23/50/95/1056235095.db2.gz QBBOVLBAQRVGSQ-CYBMUJFWSA-N 0 0 372.498 2.574 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CCO[C@@H](CC(F)(F)F)C1 ZINC001339245673 1056246747 /nfs/dbraw/zinc/24/67/47/1056246747.db2.gz BACJWWOJPIRFQY-VIFPVBQESA-N 0 0 362.377 2.890 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCO[C@H](c2ccccc2)O1 ZINC000847695608 1056382247 /nfs/dbraw/zinc/38/22/47/1056382247.db2.gz FYYNYBGECNMRCP-YHBQJITHSA-N 0 0 357.406 2.649 20 10 FFCDRN CCn1c([C@@H](O)C(C)C)nnc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001339586158 1056613139 /nfs/dbraw/zinc/61/31/39/1056613139.db2.gz LHRGCGOKVKNIPB-SFHVURJKSA-N 0 0 373.501 2.713 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)OC[C@H]2CCN(C)C2=O)CCCC1 ZINC000847799957 1056643048 /nfs/dbraw/zinc/64/30/48/1056643048.db2.gz KSRYHUPROMBUSX-CQSZACIVSA-N 0 0 370.449 2.550 20 10 FFCDRN COC(=O)[C@H](Cc1ccc(F)cc1)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000849321594 1056827393 /nfs/dbraw/zinc/82/73/93/1056827393.db2.gz ISUMPVSXFGYKEX-PXNSSMCTSA-N 0 0 372.440 2.787 20 10 FFCDRN COc1ccc(N2CC[C@H](N3C(=O)NC4(CCC(C)CC4)C3=O)C2)cc1 ZINC000849358569 1056842242 /nfs/dbraw/zinc/84/22/42/1056842242.db2.gz YURYSYDQCUJJIY-FXUPRZHBSA-N 0 0 357.454 2.775 20 10 FFCDRN COC(=O)c1ccc2c(c1)NC(=O)CN2C(=O)/C=C/c1ccc(Cl)nc1 ZINC001544610276 1071667214 /nfs/dbraw/zinc/66/72/14/1071667214.db2.gz ZCQMZBVZUGKVBM-XVNBXDOJSA-N 0 0 371.780 2.520 20 10 FFCDRN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C)Cc3cccc(F)c32)c1 ZINC001544944108 1071714921 /nfs/dbraw/zinc/71/49/21/1071714921.db2.gz YKMMAPCCILQFJV-FMFIFOJESA-N 0 0 353.397 2.819 20 10 FFCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)CN(C)C1=O ZINC001545337210 1071765386 /nfs/dbraw/zinc/76/53/86/1071765386.db2.gz QALKERQYHMBBLP-VBKZILBWSA-N 0 0 371.485 2.612 20 10 FFCDRN CCCCC(=O)N[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1C ZINC001513138757 1058206182 /nfs/dbraw/zinc/20/61/82/1058206182.db2.gz AGRHHIHRBKHUON-IUODEOHRSA-N 0 0 359.430 2.616 20 10 FFCDRN CC[C@H]1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)cc2)C1 ZINC001499569635 1058353721 /nfs/dbraw/zinc/35/37/21/1058353721.db2.gz YYYUVNCLQIFFQK-KRWDZBQOSA-N 0 0 355.486 2.708 20 10 FFCDRN COC[C@@H](C)Cn1c(-c2ccccn2)nnc1N(C)Cc1ccccc1O ZINC001518704127 1058468166 /nfs/dbraw/zinc/46/81/66/1058468166.db2.gz RHRHJUDYKPMWKT-HNNXBMFYSA-N 0 0 367.453 2.965 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccco3)CC2)cc1 ZINC001545556455 1071800269 /nfs/dbraw/zinc/80/02/69/1071800269.db2.gz KMUQLEHAQURYSV-UHFFFAOYSA-N 0 0 352.394 2.641 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H]2CCCC[C@@H]2O)CCCC1 ZINC001448160239 1058747198 /nfs/dbraw/zinc/74/71/98/1058747198.db2.gz TWXLTUDEQZBBJS-PXNSSMCTSA-N 0 0 356.466 2.948 20 10 FFCDRN S=C(NC1CC1)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001200629810 1058854133 /nfs/dbraw/zinc/85/41/33/1058854133.db2.gz UXBYFAHIENGVSI-UHFFFAOYSA-N 0 0 368.506 2.820 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccc(OC)c1[N+](=O)[O-] ZINC001449117227 1058864804 /nfs/dbraw/zinc/86/48/04/1058864804.db2.gz GQOOHPBKZFZFMB-UHFFFAOYSA-N 0 0 351.355 2.725 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc([N+](=O)[O-])ccc1NC ZINC001449125573 1058865821 /nfs/dbraw/zinc/86/58/21/1058865821.db2.gz UQDQGBCPKTYSCC-UHFFFAOYSA-N 0 0 350.371 2.758 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCc2ccc(O)c(O)c2)CC1 ZINC001545639410 1071824420 /nfs/dbraw/zinc/82/44/20/1071824420.db2.gz NOCYZLZDWIHLPH-OKILXGFUSA-N 0 0 364.442 2.798 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCOC2)n1Cc1nccs1 ZINC001503487616 1059034275 /nfs/dbraw/zinc/03/42/75/1059034275.db2.gz MTFXGDSNOMKOLP-AWEZNQCLSA-N 0 0 371.466 2.629 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCC(SC)CC1 ZINC001514778011 1059088726 /nfs/dbraw/zinc/08/87/26/1059088726.db2.gz XSDWBTVIMMFIDT-UHFFFAOYSA-N 0 0 354.501 2.690 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCc2nccc(C(F)(F)F)n2)cc1 ZINC001451529062 1059125205 /nfs/dbraw/zinc/12/52/05/1059125205.db2.gz ZTZIZHKTKJUCBV-UHFFFAOYSA-N 0 0 352.276 2.588 20 10 FFCDRN C[C@@]1(C(=O)NCc2ccc3cccnc3c2O)COc2ccccc2O1 ZINC001451951389 1059169595 /nfs/dbraw/zinc/16/95/95/1059169595.db2.gz CYWGDZIJJGELAA-FQEVSTJZSA-N 0 0 350.374 2.787 20 10 FFCDRN Oc1cc2c(cc1O)CN(C(=S)NCc1ccc3c(c1)OCO3)CCC2 ZINC001200727279 1059259996 /nfs/dbraw/zinc/25/99/96/1059259996.db2.gz VWWUPKQYSMVEDW-UHFFFAOYSA-N 0 0 372.446 2.649 20 10 FFCDRN CCn1[nH]c(C)nc1=NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC001452630991 1059264672 /nfs/dbraw/zinc/26/46/72/1059264672.db2.gz FJENJPIXIICAOM-UHFFFAOYSA-N 0 0 353.426 2.697 20 10 FFCDRN COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)c1cccc(O)c1O ZINC001454262685 1059474483 /nfs/dbraw/zinc/47/44/83/1059474483.db2.gz KYPGYOWKCVHIQK-GOSISDBHSA-N 0 0 363.797 2.655 20 10 FFCDRN CCOC(=O)[C@@H]1C[C@H]1C(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC001454478740 1059544120 /nfs/dbraw/zinc/54/41/20/1059544120.db2.gz YTSVWDDQJPHIEQ-RTBURBONSA-N 0 0 354.450 2.952 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CCc3c(nnn3C)C2)c(C)n1-c1ccccc1C ZINC000848311053 1059703014 /nfs/dbraw/zinc/70/30/14/1059703014.db2.gz WSDYPYHJXUUBTC-INIZCTEOSA-N 0 0 363.465 2.818 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC[C@H]1[C@H]1CCCO1 ZINC001520767506 1060055222 /nfs/dbraw/zinc/05/52/22/1060055222.db2.gz PRZQTZQBKNKARV-VQTJNVASSA-N 0 0 373.497 2.766 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1CC[C@H]1CCOC1 ZINC001516462646 1060091576 /nfs/dbraw/zinc/09/15/76/1060091576.db2.gz SXJOUQDKTKLZIR-HNNXBMFYSA-N 0 0 360.458 2.583 20 10 FFCDRN COc1ccc(N2CCCN(c3nnc(-c4cc(C)on4)n3C)CC2)cc1 ZINC001355661852 1060474868 /nfs/dbraw/zinc/47/48/68/1060474868.db2.gz RAKRCESHDDXSTP-UHFFFAOYSA-N 0 0 368.441 2.504 20 10 FFCDRN C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1)S(C)(=O)=O ZINC001458252039 1060548507 /nfs/dbraw/zinc/54/85/07/1060548507.db2.gz DIARTNDKFYMINO-LBPRGKRZSA-N 0 0 362.407 2.671 20 10 FFCDRN COc1ccc(CNc2ncnc3c2nnn3Cc2ccccc2)c(O)c1 ZINC001458339123 1060568595 /nfs/dbraw/zinc/56/85/95/1060568595.db2.gz SPCKXPKJPTXUDD-UHFFFAOYSA-N 0 0 362.393 2.596 20 10 FFCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H](COC)OC ZINC001512811040 1060678102 /nfs/dbraw/zinc/67/81/02/1060678102.db2.gz XMOHYTIBQAIJQS-GDBMZVCRSA-N 0 0 362.474 2.795 20 10 FFCDRN Cn1cnc(/C=C/C(=O)N2CCN(C)c3cc(Br)ccc32)c1 ZINC001459974976 1060862292 /nfs/dbraw/zinc/86/22/92/1060862292.db2.gz JAUNMGNIVYYRHS-GQCTYLIASA-N 0 0 361.243 2.679 20 10 FFCDRN CC(C)(C)[C@@H]1CCN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001521940594 1061298106 /nfs/dbraw/zinc/29/81/06/1061298106.db2.gz UHDJIABMSCSDPY-SFHVURJKSA-N 0 0 372.513 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FFCDRN O=C(Cc1ccc(O)c(O)c1)Nc1cccc(Cl)c1N1CCOCC1 ZINC001463884196 1062313551 /nfs/dbraw/zinc/31/35/51/1062313551.db2.gz IGNTVVNYZOETLN-UHFFFAOYSA-N 0 0 362.813 2.769 20 10 FFCDRN CN(CCN(C)C(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OC(C)(C)C ZINC001545827593 1062324233 /nfs/dbraw/zinc/32/42/33/1062324233.db2.gz UFAAHVIYOUSRKK-UHFFFAOYSA-N 0 0 363.418 2.788 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N(C)C)c(F)c1)n1ccc(C(F)(F)F)n1 ZINC001434914636 1062352648 /nfs/dbraw/zinc/35/26/48/1062352648.db2.gz JSELMCJMFWWCKD-SNVBAGLBSA-N 0 0 358.339 2.984 20 10 FFCDRN CON(C)C(=O)c1ccc(NC(=O)c2ccc(C3=S=CC=C3)o2)cc1 ZINC001530148742 1062498838 /nfs/dbraw/zinc/49/88/38/1062498838.db2.gz AFKFNKTURIFYCK-UHFFFAOYSA-N 0 0 356.403 2.791 20 10 FFCDRN COCCOc1cc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)ccn1 ZINC001523552930 1062516837 /nfs/dbraw/zinc/51/68/37/1062516837.db2.gz DSJGGWUCESQTOK-UHFFFAOYSA-N 0 0 369.465 2.979 20 10 FFCDRN CC1(C)CCc2onc(C(=O)NCc3ccc(N4CCOCC4)cc3)c2C1 ZINC001464448939 1062619331 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CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(F)cc2n[nH]nc21 ZINC001440711395 1063342749 /nfs/dbraw/zinc/34/27/49/1063342749.db2.gz AQXUHJRFKZRBNT-UHFFFAOYSA-N 0 0 353.401 2.969 20 10 FFCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1Cc1nncn1CC ZINC001495139524 1063449236 /nfs/dbraw/zinc/44/92/36/1063449236.db2.gz ZHNZKWQLUHYPEQ-AWEZNQCLSA-N 0 0 369.473 2.793 20 10 FFCDRN CNC(=O)c1cccc(CNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001442343083 1063525701 /nfs/dbraw/zinc/52/57/01/1063525701.db2.gz FZSIZPUNTDFPJH-UHFFFAOYSA-N 0 0 356.403 2.602 20 10 FFCDRN CC1(C)C[C@]1(C)CNC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC001468150340 1063933922 /nfs/dbraw/zinc/93/39/22/1063933922.db2.gz VFGLHDNQTWQDGK-HRAATJIYSA-N 0 0 372.513 2.624 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)C1=NN(c2ccccc2)C(=O)CC1 ZINC001469247901 1064116630 /nfs/dbraw/zinc/11/66/30/1064116630.db2.gz AIHRZFDPOKENFS-UHFFFAOYSA-N 0 0 374.400 2.740 20 10 FFCDRN COc1ccc2c(c1)[C@H](NC(=O)NCc1cccc(OC)c1O)CCO2 ZINC001469688004 1064191969 /nfs/dbraw/zinc/19/19/69/1064191969.db2.gz SGDQGRXJRJDDGG-OAHLLOKOSA-N 0 0 358.394 2.732 20 10 FFCDRN COC(=O)c1cccc(NC(=O)c2ccc(N=NC(N)=O)cc2)c1OC ZINC001469767528 1064207793 /nfs/dbraw/zinc/20/77/93/1064207793.db2.gz OGKVGULMJVHJOX-UHFFFAOYSA-N 0 0 356.338 2.897 20 10 FFCDRN CC(C)(C)OC(=O)NC1(CNC(=O)Cc2ccc(O)c(O)c2)CCCC1 ZINC001469960058 1064233960 /nfs/dbraw/zinc/23/39/60/1064233960.db2.gz PAAIJUJLMUXSIX-UHFFFAOYSA-N 0 0 364.442 2.594 20 10 FFCDRN C[C@](CO)(NC(=O)c1cccc(O)c1O)c1cccc(C(F)(F)F)c1 ZINC001470274278 1064292714 /nfs/dbraw/zinc/29/27/14/1064292714.db2.gz FTFZJBUDRQLVFY-MRXNPFEDSA-N 0 0 355.312 2.754 20 10 FFCDRN O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])NCc1cccc(O)c1O ZINC001471644328 1064744689 /nfs/dbraw/zinc/74/46/89/1064744689.db2.gz QMDHYNIMKYYBPJ-UHFFFAOYSA-N 0 0 366.757 2.745 20 10 FFCDRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3cc(O)ccc3O)n2)n1 ZINC001471660786 1064748967 /nfs/dbraw/zinc/74/89/67/1064748967.db2.gz LWCXYTMATKPDOL-UHFFFAOYSA-N 0 0 372.812 2.879 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2C[C@H]3COC[C@@]3(c3ccccc3)C2)cc1 ZINC001471865857 1064827300 /nfs/dbraw/zinc/82/73/00/1064827300.db2.gz VCEZGMUPNMHNOH-OXJNMPFZSA-N 0 0 364.405 2.889 20 10 FFCDRN CC(C)(C)OC(=O)NCc1ccc(C(=O)NCc2c(O)cccc2O)o1 ZINC001472064391 1064916035 /nfs/dbraw/zinc/91/60/35/1064916035.db2.gz WDXHYKNIBVOLIM-UHFFFAOYSA-N 0 0 362.382 2.646 20 10 FFCDRN CCn1cc(NC(=O)c2cc(C)n(-c3ccccc3C)c2C)c(C(N)=O)n1 ZINC001472460308 1065071669 /nfs/dbraw/zinc/07/16/69/1065071669.db2.gz CEHDPWHYYHJUJX-UHFFFAOYSA-N 0 0 365.437 2.970 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)[C@H]2CCC[C@H]2OC)cc1 ZINC001474811065 1065614216 /nfs/dbraw/zinc/61/42/16/1065614216.db2.gz CZHTVNFQEDRZBV-MSOLQXFVSA-N 0 0 354.516 2.862 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cc(C3CC3)nn2C)cc1 ZINC001474852465 1065626263 /nfs/dbraw/zinc/62/62/63/1065626263.db2.gz PLACACSPLZCJCK-UHFFFAOYSA-N 0 0 362.499 2.622 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC001576854991 1078281946 /nfs/dbraw/zinc/28/19/46/1078281946.db2.gz VBTFYZWQCFASBK-KRWDZBQOSA-N 0 0 355.373 2.580 20 10 FFCDRN Nc1ccc(CNCc2cn(-c3ccccc3Br)nn2)cc1 ZINC001580447063 1078806563 /nfs/dbraw/zinc/80/65/63/1078806563.db2.gz PICIVZAEJUYGEM-UHFFFAOYSA-N 0 0 358.243 2.902 20 10 FFCDRN O=C(CNC(=O)c1cc2cc(O)c(O)cc2s1)N1CCc2ccccc21 ZINC001584224857 1079325225 /nfs/dbraw/zinc/32/52/25/1079325225.db2.gz XNSTYFPWHYZQHY-UHFFFAOYSA-N 0 0 368.414 2.632 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(CC(C)(C)C)n1Cc1ccn(C)n1 ZINC001554174707 1075609137 /nfs/dbraw/zinc/60/91/37/1075609137.db2.gz ALSKEWICMIWROP-UHFFFAOYSA-N 0 0 368.485 2.991 20 10 FFCDRN C[C@@H]1CN(c2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)C[C@H](C)O1 ZINC001556463167 1075743172 /nfs/dbraw/zinc/74/31/72/1075743172.db2.gz ZETSAMFPCDLBDX-OKILXGFUSA-N 0 0 356.422 2.893 20 10 FFCDRN CNC(=O)CC1(CNC(=O)c2ccc(N=NC(N)=O)cc2)CCCCC1 ZINC001585410466 1079460227 /nfs/dbraw/zinc/46/02/27/1079460227.db2.gz HXKZSRIBSBVFAX-UHFFFAOYSA-N 0 0 359.430 2.665 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1ccncc1NC(=O)C(F)(F)F ZINC001557386714 1075844388 /nfs/dbraw/zinc/84/43/88/1075844388.db2.gz LNHKHOITYAHHOV-UHFFFAOYSA-N 0 0 373.718 2.871 20 10 FFCDRN O=C(N[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)c1cccc(O)c1O ZINC001557539770 1075859963 /nfs/dbraw/zinc/85/99/63/1075859963.db2.gz SMLPOGWBEOMWAM-IAQYHMDHSA-N 0 0 353.296 2.762 20 10 FFCDRN O=C(NCc1c(O)cccc1F)c1ccc(S[C@@H]2CCOC2=O)cc1 ZINC001558454529 1076009308 /nfs/dbraw/zinc/00/93/08/1076009308.db2.gz IIBCWACIBGXSQR-MRXNPFEDSA-N 0 0 361.394 2.869 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NC[C@H](O)c1c(C)nn(C)c1C ZINC001558798040 1076078694 /nfs/dbraw/zinc/07/86/94/1076078694.db2.gz WHUJJBVBAALUTJ-INIZCTEOSA-N 0 0 372.494 2.969 20 10 FFCDRN Cc1cc(C)c2ncc(C(=O)NCCc3ccc(O)c(O)c3)c(O)c2c1 ZINC001558948977 1076104874 /nfs/dbraw/zinc/10/48/74/1076104874.db2.gz DKARVYZZDRAHQB-UHFFFAOYSA-N 0 0 352.390 2.529 20 10 FFCDRN COc1cc(N(C)Cc2nc3ccccc3c(=O)[nH]2)c([N+](=O)[O-])cc1OC ZINC001559050188 1076121331 /nfs/dbraw/zinc/12/13/31/1076121331.db2.gz QDHHEKIQTZDNMJ-UHFFFAOYSA-N 0 0 370.365 2.897 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)c1nc(Cl)nc2[nH]c(=O)[nH]c21 ZINC001559060222 1076122108 /nfs/dbraw/zinc/12/21/08/1076122108.db2.gz CQKLKDXRYWBJEB-UHFFFAOYSA-N 0 0 358.833 2.949 20 10 FFCDRN COC(=O)c1ccnc(NCc2ccc3cccnc3c2O)c1[N+](=O)[O-] ZINC001559217055 1076136133 /nfs/dbraw/zinc/13/61/33/1076136133.db2.gz WXMAZAXPZLGGIC-UHFFFAOYSA-N 0 0 354.322 2.642 20 10 FFCDRN COc1ccc(N2CCN(c3ccc([N+](=O)[O-])c(C)n3)CC2)c(OC)c1 ZINC001559261359 1076141716 /nfs/dbraw/zinc/14/17/16/1076141716.db2.gz BNGMZNNZKWWENF-UHFFFAOYSA-N 0 0 358.398 2.642 20 10 FFCDRN COc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)CC2CC2)cc1 ZINC001559848393 1076196588 /nfs/dbraw/zinc/19/65/88/1076196588.db2.gz QGWZDJZPROLUHW-UHFFFAOYSA-N 0 0 368.433 2.957 20 10 FFCDRN CCCC[C@H](C(=O)OC)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001560083386 1076224027 /nfs/dbraw/zinc/22/40/27/1076224027.db2.gz WGNQWVUPKIUTKO-QGZVFWFLSA-N 0 0 350.459 2.558 20 10 FFCDRN Cc1cc(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)cnc1N ZINC001561295616 1076358344 /nfs/dbraw/zinc/35/83/44/1076358344.db2.gz QIMXDQCLDKBIPN-UHFFFAOYSA-N 0 0 361.467 2.811 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)N[C@H]3C[C@@]3(C)C(C)C)CC2)cc1 ZINC001563811397 1076584858 /nfs/dbraw/zinc/58/48/58/1076584858.db2.gz XHBLPYYUGACTCF-FPOVZHCZSA-N 0 0 374.529 2.551 20 10 FFCDRN NC(=O)CC1(CNC(=O)NCc2cccc(Cl)c2O)CCCCC1 ZINC001565133068 1076688407 /nfs/dbraw/zinc/68/84/07/1076688407.db2.gz VCEJSSJJHPSQLL-UHFFFAOYSA-N 0 0 353.850 2.671 20 10 FFCDRN COC(=O)[C@@H](F)CNC(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001565192959 1076696110 /nfs/dbraw/zinc/69/61/10/1076696110.db2.gz LCDKBXDFZSFOSE-KRWDZBQOSA-N 0 0 361.417 2.713 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CC[C@@H](OCc3ccccn3)C2)cc1 ZINC001566323552 1076946002 /nfs/dbraw/zinc/94/60/02/1076946002.db2.gz AGKLHJALCYGCES-MRXNPFEDSA-N 0 0 353.382 2.675 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C=O)oc1C ZINC001566850057 1076985517 /nfs/dbraw/zinc/98/55/17/1076985517.db2.gz 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C[C@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cc(F)ccc1O ZINC000186403422 509692132 /nfs/dbraw/zinc/69/21/32/509692132.db2.gz VNBHQRSIMRYVER-AWEZNQCLSA-N 0 0 373.428 2.975 20 10 FFCDRN Cc1cc(C(=O)N2CCSCC2)ccc1NC(=O)Cc1ccc(N)cc1 ZINC000237702767 509715317 /nfs/dbraw/zinc/71/53/17/509715317.db2.gz JZFNSTFHQFMXMF-UHFFFAOYSA-N 0 0 369.490 2.947 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N(C)C)c(F)c1)c1ccc(NC(N)=O)cc1 ZINC000170724550 509741017 /nfs/dbraw/zinc/74/10/17/509741017.db2.gz SWKNXUVDSZIASY-GFCCVEGCSA-N 0 0 373.432 2.943 20 10 FFCDRN Nc1ccc(CC(=O)N2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000237887075 509762196 /nfs/dbraw/zinc/76/21/96/509762196.db2.gz ABRWPEPPEFIRKC-UHFFFAOYSA-N 0 0 371.868 2.839 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 ZINC000237947599 509781681 /nfs/dbraw/zinc/78/16/81/509781681.db2.gz YIMQICFKNQHMQQ-KRWDZBQOSA-N 0 0 366.465 2.872 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CC[C@H]1Cc2ccccc2NC1=O ZINC000183446872 509795247 /nfs/dbraw/zinc/79/52/47/509795247.db2.gz QVHACRKHEVTKNK-CJNGLKHVSA-N 0 0 368.433 2.736 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nc(-c2cccs2)no1 ZINC000183464311 509806070 /nfs/dbraw/zinc/80/60/70/509806070.db2.gz IKPCLZZGQUPSIX-NSHDSACASA-N 0 0 373.434 2.889 20 10 FFCDRN Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000183487080 509820917 /nfs/dbraw/zinc/82/09/17/509820917.db2.gz PKBADYBZRKKRLF-NSHDSACASA-N 0 0 356.378 2.944 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cccc(C)n2)cc1F ZINC000193217473 509821882 /nfs/dbraw/zinc/82/18/82/509821882.db2.gz YFTHXJMBVGZBSL-UHFFFAOYSA-N 0 0 358.417 2.630 20 10 FFCDRN Cc1cc(Br)cc(CN(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1O ZINC000180259620 509837800 /nfs/dbraw/zinc/83/78/00/509837800.db2.gz OMWXMVBNUVPSOZ-GHMZBOCLSA-N 0 0 364.305 2.717 20 10 FFCDRN Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccccc2O)c1[N+](=O)[O-] ZINC000189989465 509870752 /nfs/dbraw/zinc/87/07/52/509870752.db2.gz ULKADKFRSNEIKD-UHFFFAOYSA-N 0 0 350.396 2.738 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)C[C@@H]3CCCO3)cc2)CC1 ZINC000170990760 509878406 /nfs/dbraw/zinc/87/84/06/509878406.db2.gz DWPSWGZSNGXNPR-SFHVURJKSA-N 0 0 352.500 2.521 20 10 FFCDRN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000265211602 509922798 /nfs/dbraw/zinc/92/27/98/509922798.db2.gz ROYDGTKXDLYCOY-ZWKOTPCHSA-N 0 0 372.513 2.733 20 10 FFCDRN Cc1cc(F)ccc1S(=O)(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000174064755 509931081 /nfs/dbraw/zinc/93/10/81/509931081.db2.gz SSWIIHXGEMILJR-UHFFFAOYSA-N 0 0 350.415 2.788 20 10 FFCDRN Cc1nn(C)c(Cl)c1/C=C/C(=O)N(CC(=O)N(C)C)c1ccccc1 ZINC000174082410 509939567 /nfs/dbraw/zinc/93/95/67/509939567.db2.gz PCUHIGHRHUOODU-ZHACJKMWSA-N 0 0 360.845 2.517 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)cc1F ZINC000177280497 509976402 /nfs/dbraw/zinc/97/64/02/509976402.db2.gz RKPDMRPBLYRYHV-UHFFFAOYSA-N 0 0 374.412 2.814 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CC[C@@H]3CC[C@H](C)O3)CC2)cc1F ZINC000177284557 509977773 /nfs/dbraw/zinc/97/77/73/509977773.db2.gz VYCXCVUCBGOCHW-HOCLYGCPSA-N 0 0 350.434 2.831 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3c(N)cccc3[N+](=O)[O-])CC2)cc1 ZINC000180684568 510054509 /nfs/dbraw/zinc/05/45/09/510054509.db2.gz FHWUGKQWWJLOQB-UHFFFAOYSA-N 0 0 370.409 2.538 20 10 FFCDRN Cc1nn(CC(F)(F)F)cc1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000268676136 510066067 /nfs/dbraw/zinc/06/60/67/510066067.db2.gz LIXDEJQMDNGWQZ-UHFFFAOYSA-N 0 0 368.359 2.859 20 10 FFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cc(C)ccc3O)c2)CC1 ZINC000187129841 510075699 /nfs/dbraw/zinc/07/56/99/510075699.db2.gz UNUNYADAQMGUTC-UHFFFAOYSA-N 0 0 353.422 2.621 20 10 FFCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1cn(-c2ccccc2)nn1 ZINC000180866253 510151107 /nfs/dbraw/zinc/15/11/07/510151107.db2.gz KOJIGKUIGSDCMZ-FROQITRMSA-N 0 0 350.378 2.569 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(C)cc3)cc2)CC1 ZINC000190583905 510222100 /nfs/dbraw/zinc/22/21/00/510222100.db2.gz FLTWDDZHPYALIZ-UHFFFAOYSA-N 0 0 351.450 2.594 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H](O)Cc1ccccc1 ZINC000171590209 510241038 /nfs/dbraw/zinc/24/10/38/510241038.db2.gz CGHBRHOIPGUHLU-HXUWFJFHSA-N 0 0 353.466 2.690 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2ccccc2CN2CCOCC2)cc1 ZINC000265832356 510252992 /nfs/dbraw/zinc/25/29/92/510252992.db2.gz QLXDICHUWJSKIW-UHFFFAOYSA-N 0 0 367.493 2.857 20 10 FFCDRN Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000265879489 510279016 /nfs/dbraw/zinc/27/90/16/510279016.db2.gz BQWRRCMESDEYID-SFHVURJKSA-N 0 0 351.454 2.673 20 10 FFCDRN C[C@H]1c2cccn2CCN1C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000171706227 510321648 /nfs/dbraw/zinc/32/16/48/510321648.db2.gz GXAMFTSTMCEFSP-NADMHLTPSA-N 0 0 351.450 2.941 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1Cc2ccccc2[C@@H]1O ZINC000171753665 510349637 /nfs/dbraw/zinc/34/96/37/510349637.db2.gz DYAWQAKAUFGHIY-PMACEKPBSA-N 0 0 351.450 2.744 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)C3CCOCC3)CC2)cc1 ZINC000177990041 510362755 /nfs/dbraw/zinc/36/27/55/510362755.db2.gz IJEHKOROPPHWKX-MRXNPFEDSA-N 0 0 361.486 2.732 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCO3)cc2F)C[C@@H](C)O1 ZINC000269371914 510367364 /nfs/dbraw/zinc/36/73/64/510367364.db2.gz YQAUIWURMDUBFP-HBUWYVDXSA-N 0 0 350.434 2.625 20 10 FFCDRN COc1cc(N(C)CC(=O)Nc2ccc(C(C)=O)cc2)cc(OC)c1OC ZINC000266029390 510368613 /nfs/dbraw/zinc/36/86/13/510368613.db2.gz ZVJYIDMRJDJJFW-UHFFFAOYSA-N 0 0 372.421 2.990 20 10 FFCDRN CC(C)(C)n1cc(CNCc2ccc(N3CCC(CO)CC3)cc2)nn1 ZINC000190857576 510376688 /nfs/dbraw/zinc/37/66/88/510376688.db2.gz NOQLOLKBAVFAEV-UHFFFAOYSA-N 0 0 357.502 2.532 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCCC2(CCOCC2)C1 ZINC000266281611 510496986 /nfs/dbraw/zinc/49/69/86/510496986.db2.gz ZVXOEKORJPHEGM-QPJJXVBHSA-N 0 0 370.493 2.956 20 10 FFCDRN C[C@](O)(CNC(=O)NCc1ccc(N2CCCC2)cc1)c1ccccc1 ZINC000172027393 510507270 /nfs/dbraw/zinc/50/72/70/510507270.db2.gz IAAGMBQKXDJWOE-NRFANRHFSA-N 0 0 353.466 2.994 20 10 FFCDRN Cc1ccc(C(=O)N2CCCN(C(=O)c3cccc(F)c3)CC2)c(O)c1O ZINC000181852699 510625843 /nfs/dbraw/zinc/62/58/43/510625843.db2.gz XLVUKBNXPHJRAH-UHFFFAOYSA-N 0 0 372.396 2.534 20 10 FFCDRN CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(OC)c1O ZINC000270010916 510640288 /nfs/dbraw/zinc/64/02/88/510640288.db2.gz ALSFICXUWPWSDF-WFASDCNBSA-N 0 0 366.458 2.956 20 10 FFCDRN CSC1(CNC(=O)NCc2ccc(N3CCCC3)cc2)CCOCC1 ZINC000175640890 510707833 /nfs/dbraw/zinc/70/78/33/510707833.db2.gz BFCWTSJNDMUUPA-UHFFFAOYSA-N 0 0 363.527 2.998 20 10 FFCDRN C[C@H](NCc1cc2c(cc1O)OCO2)c1nc(Cc2ccccc2)no1 ZINC000191598304 510743484 /nfs/dbraw/zinc/74/34/84/510743484.db2.gz LRZJTLFOIRKDLC-LBPRGKRZSA-N 0 0 353.378 2.946 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCCC(C)(C)CO)CC2)cc1 ZINC000175807403 510801270 /nfs/dbraw/zinc/80/12/70/510801270.db2.gz NDPSQZAFMZGJFZ-UHFFFAOYSA-N 0 0 363.502 2.716 20 10 FFCDRN c1nn(-c2ncccn2)c2ncnc(NCc3ccc(N4CCCC4)cc3)c12 ZINC000178868024 510811833 /nfs/dbraw/zinc/81/18/33/510811833.db2.gz DPBILQAAEYSMBF-UHFFFAOYSA-N 0 0 372.436 2.818 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCc1ccccc1O ZINC000178878940 510818117 /nfs/dbraw/zinc/81/81/17/510818117.db2.gz NEFFLDFHSQFQFX-JXMROGBWSA-N 0 0 352.434 2.601 20 10 FFCDRN CCOc1ccc(-n2c(C)cc(C(=O)Cn3ncccc3=O)c2C)cc1 ZINC000195422279 510820667 /nfs/dbraw/zinc/82/06/67/510820667.db2.gz XRLUWYNTUZDLED-UHFFFAOYSA-N 0 0 351.406 2.932 20 10 FFCDRN COc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)ccc1F ZINC000275374140 510889606 /nfs/dbraw/zinc/88/96/06/510889606.db2.gz ACZCGMCTUMRECA-UHFFFAOYSA-N 0 0 359.401 2.993 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccco3)cc2F)C[C@H](C)O1 ZINC000275410897 510899539 /nfs/dbraw/zinc/89/95/39/510899539.db2.gz AXUNTUKBGOUSII-BETUJISGSA-N 0 0 368.430 2.511 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)C(=O)Nc1cccc(Cl)n1 ZINC000285449827 510911449 /nfs/dbraw/zinc/91/14/49/510911449.db2.gz ZGFMNCWTVFVXCW-UHFFFAOYSA-N 0 0 359.813 2.574 20 10 FFCDRN CC(=O)Nc1ccc(C)c2c1CCCN2C(=O)/C=C/c1cnn(C)c1C ZINC000275903923 510920499 /nfs/dbraw/zinc/92/04/99/510920499.db2.gz UWCJLKZHBGPXCW-CSKARUKUSA-N 0 0 352.438 2.988 20 10 FFCDRN CSCc1ccccc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000276064513 510925848 /nfs/dbraw/zinc/92/58/48/510925848.db2.gz LAHGPVJSCFXPRU-LBPRGKRZSA-N 0 0 374.462 2.647 20 10 FFCDRN CCc1nnc(NCc2ccc(N3CCC(O)CC3)c(F)c2)nc1CC ZINC000276308406 510931589 /nfs/dbraw/zinc/93/15/89/510931589.db2.gz RUDFGTHBSWRWAV-UHFFFAOYSA-N 0 0 359.449 2.709 20 10 FFCDRN CCOC(CCNC(=O)NCc1c(O)ccc2c1CCCC2)OCC ZINC000276351291 510934493 /nfs/dbraw/zinc/93/44/93/510934493.db2.gz LFKPNFHLZNMXDD-UHFFFAOYSA-N 0 0 350.459 2.859 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(NC(=O)c3c(F)ccc(O)c3O)CC2)cc1 ZINC000276586736 510942406 /nfs/dbraw/zinc/94/24/06/510942406.db2.gz MOKSCPPWZNSYHR-UHFFFAOYSA-N 0 0 372.396 2.580 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000276609899 510942960 /nfs/dbraw/zinc/94/29/60/510942960.db2.gz ZYEZSLXQBHAQMA-ZDUSSCGKSA-N 0 0 369.421 2.977 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CC3(CCOCC3)[C@H]2C2CC2)cc1F ZINC000297432486 510943551 /nfs/dbraw/zinc/94/35/51/510943551.db2.gz ZTASLVPYMPRQEP-GOSISDBHSA-N 0 0 361.461 2.992 20 10 FFCDRN C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1ccc(F)c(F)c1[O-] ZINC000276988424 510950677 /nfs/dbraw/zinc/95/06/77/510950677.db2.gz XCLCXJNRXQXSFB-GFCCVEGCSA-N 0 0 355.406 2.936 20 10 FFCDRN O=C1N[C@H](c2cccc(O)c2)C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000277387351 510961570 /nfs/dbraw/zinc/96/15/70/510961570.db2.gz PGYLVQNBUCNSCT-GOSISDBHSA-N 0 0 351.406 2.786 20 10 FFCDRN C[C@H](CCC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)NC(=O)OC(C)(C)C ZINC000277715908 510970975 /nfs/dbraw/zinc/97/09/75/510970975.db2.gz JQICRTQTMFCIMA-OLZOCXBDSA-N 0 0 366.458 2.838 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H](c2ccco2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000278611909 511000000 /nfs/dbraw/zinc/00/00/00/511000000.db2.gz DWCLCDQKGSGBOP-HNNXBMFYSA-N 0 0 361.398 2.829 20 10 FFCDRN C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000278733150 511004771 /nfs/dbraw/zinc/00/47/71/511004771.db2.gz MXEIRZNMTTYGMR-YGRLFVJLSA-N 0 0 360.285 2.689 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](C)[C@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278854973 511011780 /nfs/dbraw/zinc/01/17/80/511011780.db2.gz LKPZLVZFYYBVEI-BMIGLBTASA-N 0 0 350.346 2.660 20 10 FFCDRN COc1c(O)c(CNc2cccc(C[S@](C)=O)c2)ccc1[N+](=O)[O-] ZINC000278936494 511014386 /nfs/dbraw/zinc/01/43/86/511014386.db2.gz WXZHRSVMHZPQDN-DEOSSOPVSA-N 0 0 350.396 2.800 20 10 FFCDRN CCN(C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1)[C@@H](C)c1cccnc1 ZINC000285790036 511015331 /nfs/dbraw/zinc/01/53/31/511015331.db2.gz UMQYRWHUCXTOSN-AWEZNQCLSA-N 0 0 372.444 2.513 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)COc1ccc(C(N)=O)cc1 ZINC000282536203 511017395 /nfs/dbraw/zinc/01/73/95/511017395.db2.gz QYJGDMPYCREWJH-UHFFFAOYSA-N 0 0 356.422 2.699 20 10 FFCDRN C[C@@H]1COCC[C@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000286690028 511030090 /nfs/dbraw/zinc/03/00/90/511030090.db2.gz CXUKZCUKZBLYDR-MNOVXSKESA-N 0 0 357.248 2.627 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@H](S(C)(=O)=O)C2)c(C)n1-c1cccc(C)c1 ZINC000282611153 511045372 /nfs/dbraw/zinc/04/53/72/511045372.db2.gz VESCPINJOSETJM-QGZVFWFLSA-N 0 0 360.479 2.662 20 10 FFCDRN CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3CN2C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287801590 511058363 /nfs/dbraw/zinc/05/83/63/511058363.db2.gz ZWFQQXRASDEKGC-FLFBIERCSA-N 0 0 355.482 2.852 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](CCOC)c1ccco1 ZINC000288634919 511081601 /nfs/dbraw/zinc/08/16/01/511081601.db2.gz RMAUIIAMASBKRU-MRXNPFEDSA-N 0 0 374.437 2.618 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3ccnnc3OC)ccc21 ZINC000289009502 511092243 /nfs/dbraw/zinc/09/22/43/511092243.db2.gz UTPLWVRFHMPFQV-UHFFFAOYSA-N 0 0 354.410 2.955 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)CCc1scnc1C ZINC000289057428 511093719 /nfs/dbraw/zinc/09/37/19/511093719.db2.gz FXXWKVXNTGIZOC-UHFFFAOYSA-N 0 0 367.540 2.912 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCN(C(=O)Nc2ccccc2)C1 ZINC000282790358 511113169 /nfs/dbraw/zinc/11/31/69/511113169.db2.gz GAAROUMQCASKAB-KRWDZBQOSA-N 0 0 368.437 2.840 20 10 FFCDRN Nc1ccc(NC(=O)[C@@H]2CS[C@@]3(c4ccc(F)cc4)CCC(=O)N23)cc1 ZINC000364889458 511136382 /nfs/dbraw/zinc/13/63/82/511136382.db2.gz WOUBNRSWTCAAPV-QFBILLFUSA-N 0 0 371.437 2.937 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3cnccc3Cl)CC2)cc1F ZINC000298015618 511143062 /nfs/dbraw/zinc/14/30/62/511143062.db2.gz BPRBLNRCFHJDPX-UHFFFAOYSA-N 0 0 363.820 2.774 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000332940175 511156112 /nfs/dbraw/zinc/15/61/12/511156112.db2.gz HTHPUWCJFKVJDY-VLIAUNLRSA-N 0 0 357.454 2.576 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N(C)Cc1ccncc1 ZINC000298053998 511160138 /nfs/dbraw/zinc/16/01/38/511160138.db2.gz QOWJGODQTQTQRU-UHFFFAOYSA-N 0 0 355.438 2.575 20 10 FFCDRN CC(C)[C@H]1C[C@@H](NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO1 ZINC000271357087 511175796 /nfs/dbraw/zinc/17/57/96/511175796.db2.gz KMRUMOBYWACWPZ-WQHZJRCTSA-N 0 0 358.482 2.856 20 10 FFCDRN COc1cc(N(C)Cc2cccc(S(C)(=O)=O)c2)cc(OC)c1OC ZINC000294983229 511243121 /nfs/dbraw/zinc/24/31/21/511243121.db2.gz GKSNZMDDNGAIQP-UHFFFAOYSA-N 0 0 365.451 2.752 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)Cc1ccccc1 ZINC000283163108 511260612 /nfs/dbraw/zinc/26/06/12/511260612.db2.gz GLEZAGVUHNHZJM-UHFFFAOYSA-N 0 0 353.466 2.760 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@H]1CCCN(C(C)=O)C1 ZINC000279904588 511260635 /nfs/dbraw/zinc/26/06/35/511260635.db2.gz WHGXDQUWGZIXDM-SFHVURJKSA-N 0 0 360.502 2.543 20 10 FFCDRN CCn1cnnc1CNC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000298502298 511307236 /nfs/dbraw/zinc/30/72/36/511307236.db2.gz OPJLECKPTAWBEJ-UHFFFAOYSA-N 0 0 353.426 2.644 20 10 FFCDRN COc1ccc(N(C)Cc2noc(CNC(=O)OC(C)(C)C)n2)cc1F ZINC000283326445 511322330 /nfs/dbraw/zinc/32/23/30/511322330.db2.gz PBORPGCLNLELAQ-UHFFFAOYSA-N 0 0 366.393 2.878 20 10 FFCDRN C[C@@H](c1ccccc1F)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000283374681 511341683 /nfs/dbraw/zinc/34/16/83/511341683.db2.gz GETPOLRSHPKEBX-AWEZNQCLSA-N 0 0 357.429 2.728 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1c(Br)cnn1C ZINC000295278223 511345377 /nfs/dbraw/zinc/34/53/77/511345377.db2.gz 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O=C(c1c(F)ccc(O)c1O)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000295635620 511467447 /nfs/dbraw/zinc/46/74/47/511467447.db2.gz CECKVJVTXVXRPU-HXUWFJFHSA-N 0 0 359.397 2.694 20 10 FFCDRN COc1cccc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000298969469 511469197 /nfs/dbraw/zinc/46/91/97/511469197.db2.gz IVGKYQURWABVJU-UHFFFAOYSA-N 0 0 367.449 2.891 20 10 FFCDRN CC(C)[C@@H]1NC(=O)N(Cc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)C1=O ZINC000272255396 511480780 /nfs/dbraw/zinc/48/07/80/511480780.db2.gz LQMCVSNCNYJZNW-XNJGSVPQSA-N 0 0 363.433 2.516 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC000283742755 511484365 /nfs/dbraw/zinc/48/43/65/511484365.db2.gz PEKGEVCYUMAOJO-OAHLLOKOSA-N 0 0 351.450 2.563 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H](CCC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000272321654 511491051 /nfs/dbraw/zinc/49/10/51/511491051.db2.gz KNJHCHXUKHNIFH-CYBMUJFWSA-N 0 0 364.442 2.751 20 10 FFCDRN Cc1ccsc1CNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000283766196 511492541 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CCn1nc(C)c(CC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000292260295 511526591 /nfs/dbraw/zinc/52/65/91/511526591.db2.gz MZZRDQXQQJQASZ-UHFFFAOYSA-N 0 0 370.497 2.558 20 10 FFCDRN C[C@@H]([NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1[O-] ZINC000273497629 511528986 /nfs/dbraw/zinc/52/89/86/511528986.db2.gz YAFGNWBEUDRHBR-LLVKDONJSA-N 0 0 368.386 2.564 20 10 FFCDRN COC(=O)c1ccc(O)c([C@@H](C)NCc2ncc(C(F)(F)F)cn2)c1 ZINC000295833293 511529489 /nfs/dbraw/zinc/52/94/89/511529489.db2.gz ABLIEYRYYFDPOU-SECBINFHSA-N 0 0 355.316 2.838 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Cc2ccccc2S(C)(=O)=O)cc1 ZINC000283978768 511563704 /nfs/dbraw/zinc/56/37/04/511563704.db2.gz LNNSRXDTRGILSE-UHFFFAOYSA-N 0 0 374.506 2.795 20 10 FFCDRN Cc1cc(C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)[nH]n1 ZINC000363455595 511564140 /nfs/dbraw/zinc/56/41/40/511564140.db2.gz ZMODUQBNKLBCBT-UHFFFAOYSA-N 0 0 350.369 2.718 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1)c1ccncc1 ZINC000283992483 511568796 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CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000299688250 511667095 /nfs/dbraw/zinc/66/70/95/511667095.db2.gz LHLSRBDCLLJHCP-HOCLYGCPSA-N 0 0 363.477 2.793 20 10 FFCDRN C[C@H](CCc1ccco1)NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000284291544 511671164 /nfs/dbraw/zinc/67/11/64/511671164.db2.gz UAAONJYQXLKWJZ-MRXNPFEDSA-N 0 0 369.465 2.634 20 10 FFCDRN Cc1ccccc1[C@H]1CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CCO1 ZINC000301685584 511699879 /nfs/dbraw/zinc/69/98/79/511699879.db2.gz LJDJKCOKDRTXBF-GOSISDBHSA-N 0 0 369.377 2.812 20 10 FFCDRN CN(Cc1ccccc1O)c1ccc(S(=O)(=O)C(F)F)cc1[N+](=O)[O-] ZINC000301894680 511703149 /nfs/dbraw/zinc/70/31/49/511703149.db2.gz XJDZHADJWPGVIS-UHFFFAOYSA-N 0 0 372.349 2.933 20 10 FFCDRN COc1cc(N2CCN(c3nc(C)nc(C)c3C)CC2)cc(OC)c1OC ZINC000302144366 511707297 /nfs/dbraw/zinc/70/72/97/511707297.db2.gz GUUKSBNFEVKZAF-UHFFFAOYSA-N 0 0 372.469 2.754 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1ccc([N+](=O)[O-])cc1S(C)(=O)=O ZINC000302667646 511710562 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C[N@H+](CCc1nc(-c2ccccc2)no1)Cc1cc2c(cc1O)OCO2 ZINC000285155811 512019699 /nfs/dbraw/zinc/01/96/99/512019699.db2.gz PAFSXYGRHAVTQK-UHFFFAOYSA-N 0 0 353.378 2.845 20 10 FFCDRN CC(C)OC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)CCO1 ZINC000364215776 512024666 /nfs/dbraw/zinc/02/46/66/512024666.db2.gz LGAIJJNCASOJET-LJQANCHMSA-N 0 0 361.486 2.622 20 10 FFCDRN CN1C(=O)C[C@H](C(=O)NCc2ccc(N)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000297146018 512036565 /nfs/dbraw/zinc/03/65/65/512036565.db2.gz IMIGEIYFCCSLTF-WMZOPIPTSA-N 0 0 357.841 2.758 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)cc1OC ZINC000366588490 512096455 /nfs/dbraw/zinc/09/64/55/512096455.db2.gz ZKXYPEZYSWVWNG-FHSNZYRGSA-N 0 0 366.414 2.775 20 10 FFCDRN COc1ccc(CNC(=O)C2CCN(c3ccc(C)cn3)CC2)c(O)c1 ZINC000373661439 512446832 /nfs/dbraw/zinc/44/68/32/512446832.db2.gz VNKRMWHTWVZYOH-UHFFFAOYSA-N 0 0 355.438 2.637 20 10 FFCDRN COc1ccc(CNC(=O)[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)c(O)c1 ZINC000373666663 512450034 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COc1cc(Br)cc(CN2CCO[C@@]3(CCO[C@@H]3C)C2)c1O ZINC000370032497 512735626 /nfs/dbraw/zinc/73/56/26/512735626.db2.gz LKNYAGDHBFALDR-BZNIZROVSA-N 0 0 372.259 2.543 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc3c(c2)CN(C(C)=O)C3)c1O ZINC000370191606 512813019 /nfs/dbraw/zinc/81/30/19/512813019.db2.gz MVMMWMSIUHTMHN-UHFFFAOYSA-N 0 0 355.394 2.585 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N1C[C@H]2CCCC[C@H]21 ZINC000368190233 512838690 /nfs/dbraw/zinc/83/86/90/512838690.db2.gz MECPXSICGUETKL-CRAIPNDOSA-N 0 0 361.461 2.871 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000370500171 512965929 /nfs/dbraw/zinc/96/59/29/512965929.db2.gz QMPZNWJLWKAYJW-HNNXBMFYSA-N 0 0 365.332 2.913 20 10 FFCDRN CC(=O)N[C@@H]1Cc2ccccc2N(Cc2cn(C)nc2-c2cccnc2)C1 ZINC000374757088 512987478 /nfs/dbraw/zinc/98/74/78/512987478.db2.gz AOXWGJCBXHMFBF-LJQANCHMSA-N 0 0 361.449 2.550 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCO[C@H](c3ncon3)C2)cc1 ZINC000368614824 513027362 /nfs/dbraw/zinc/02/73/62/513027362.db2.gz QQVCROBWYVLMHK-KRWDZBQOSA-N 0 0 352.394 2.691 20 10 FFCDRN CCOC(=O)[C@H](C(=O)N1CCOc2cc(N(C)C)ccc21)c1ccccc1 ZINC000416156705 513606527 /nfs/dbraw/zinc/60/65/27/513606527.db2.gz BKCZDXCKEHXENZ-IBGZPJMESA-N 0 0 368.433 2.825 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccc2c(c1)C(=O)N(C)C2=O ZINC000471232739 514806363 /nfs/dbraw/zinc/80/63/63/514806363.db2.gz CBULOCAISXKFAV-UHFFFAOYSA-N 0 0 361.401 2.643 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N(C)c2cnc3ccccc3n2)cn1 ZINC000484879652 514827847 /nfs/dbraw/zinc/82/78/47/514827847.db2.gz KXGKKCDDZKEMIG-UHFFFAOYSA-N 0 0 361.409 2.523 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000471932736 515060389 /nfs/dbraw/zinc/06/03/89/515060389.db2.gz OYXHFHUCCRULLW-CVEARBPZSA-N 0 0 370.497 2.933 20 10 FFCDRN CCO[C@H]1C[C@](CO)(NC(=O)NCc2c(C)c3ccccc3n2C)C1(C)C ZINC000472218449 515173962 /nfs/dbraw/zinc/17/39/62/515173962.db2.gz CLWHPILPWTXZRP-GHTZIAJQSA-N 0 0 373.497 2.852 20 10 FFCDRN CCCNC(=O)[C@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472235989 515179874 /nfs/dbraw/zinc/17/98/74/515179874.db2.gz DBZMXNTWHVGSTC-INIZCTEOSA-N 0 0 370.497 2.935 20 10 FFCDRN CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000483556547 516131852 /nfs/dbraw/zinc/13/18/52/516131852.db2.gz OENOBPWLPVKFHZ-HIFRSBDPSA-N 0 0 373.497 2.938 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000528866711 516760760 /nfs/dbraw/zinc/76/07/60/516760760.db2.gz XMZOZFNOUOPHIK-JTQLQIEISA-N 0 0 355.316 2.507 20 10 FFCDRN O=C(Cn1ccc(C(F)F)n1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000528880902 516770876 /nfs/dbraw/zinc/77/08/76/516770876.db2.gz GIRWBKXWQIXRHM-AWEZNQCLSA-N 0 0 365.380 2.734 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCCc3cnccn3)ccc21 ZINC000548428880 516979134 /nfs/dbraw/zinc/97/91/34/516979134.db2.gz QJPYGKRZCMQVCC-UHFFFAOYSA-N 0 0 352.438 2.667 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N[C@H]1CCO[C@]2(CCOC2)C1 ZINC000525920552 517234417 /nfs/dbraw/zinc/23/44/17/517234417.db2.gz RDZNYNGPPHMDDT-MGPUTAFESA-N 0 0 357.454 2.624 20 10 FFCDRN COc1cc(Br)cc(CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000529677394 517278606 /nfs/dbraw/zinc/27/86/06/517278606.db2.gz PRALTRIRWORTDF-BHVCSQLQSA-N 0 0 374.300 2.649 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCN(C(=O)C(C)C)CC1 ZINC000527176129 517545475 /nfs/dbraw/zinc/54/54/75/517545475.db2.gz HWCLFQMVTBTJBU-UHFFFAOYSA-N 0 0 370.497 2.887 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCc2c(cnn2C)C1 ZINC000563518235 517953781 /nfs/dbraw/zinc/95/37/81/517953781.db2.gz JWDHHUFQXWFCLG-UHFFFAOYSA-N 0 0 351.454 2.878 20 10 FFCDRN COC(=O)c1[nH]c(C)c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1C ZINC000566269777 519403142 /nfs/dbraw/zinc/40/31/42/519403142.db2.gz IWFGRAPMWCAORI-UHFFFAOYSA-N 0 0 357.410 2.523 20 10 FFCDRN O=S(=O)(c1cccc2nsnc21)N1C[C@H]2CCCN2c2ccccc21 ZINC000600748810 520446190 /nfs/dbraw/zinc/44/61/90/520446190.db2.gz KGAUXCPRTCHTER-GFCCVEGCSA-N 0 0 372.475 2.869 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1COC[C@H]1c1ccccc1 ZINC000611658775 521267872 /nfs/dbraw/zinc/26/78/72/521267872.db2.gz YVJUMFZDKOMUJG-ZWKOTPCHSA-N 0 0 352.434 2.908 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000635629964 522409244 /nfs/dbraw/zinc/40/92/44/522409244.db2.gz ZEEDNGNYPJCCMH-HNNXBMFYSA-N 0 0 368.359 2.868 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC(C)(C)c3cn(C)nn3)ccc21 ZINC000636106280 522738336 /nfs/dbraw/zinc/73/83/36/522738336.db2.gz VTYLZTCTOSUPML-UHFFFAOYSA-N 0 0 369.469 2.698 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@H](OC)C[C@@]3(C)CO)ccc21 ZINC000634062983 523165521 /nfs/dbraw/zinc/16/55/21/523165521.db2.gz IXPHNVZAOACEGK-UTKZUKDTSA-N 0 0 374.481 2.516 20 10 FFCDRN c1csc(SCCCNc2nc3c(cc2-c2nn[nH]n2)CCC3)n1 ZINC000738451074 598914812 /nfs/dbraw/zinc/91/48/12/598914812.db2.gz BNBQYXATFLRAAZ-UHFFFAOYSA-N 0 0 359.484 2.801 20 10 FFCDRN CCCN(Cc1ccccc1O)c1ccc([N+](=O)[O-])cc1-c1nn[nH]n1 ZINC000821109312 607305105 /nfs/dbraw/zinc/30/51/05/607305105.db2.gz HBUNJKSGPAUGJJ-UHFFFAOYSA-N 0 0 354.370 2.897 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736478686 598543358 /nfs/dbraw/zinc/54/33/58/598543358.db2.gz CKUXQPDDUDERSK-UHFFFAOYSA-N 0 0 366.425 2.694 20 10 FFCDRN Cc1cc(C(=O)NCc2ccco2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737236812 598609554 /nfs/dbraw/zinc/60/95/54/598609554.db2.gz SENHVGFEHKTMKC-UHFFFAOYSA-N 0 0 362.393 2.797 20 10 FFCDRN Cc1cc(NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)no1 ZINC000737273749 598610983 /nfs/dbraw/zinc/61/09/83/598610983.db2.gz FXYRMIPPRVDEHR-UHFFFAOYSA-N 0 0 363.381 2.823 20 10 FFCDRN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)C[C@H](O)c1c(F)cccc1F ZINC000739794144 600315294 /nfs/dbraw/zinc/31/52/94/600315294.db2.gz URTXYMWYNAFSEQ-HNNXBMFYSA-N 0 0 371.767 2.944 20 10 FFCDRN CCC[N@H+](CC(=O)N(C)c1ccccc1C(=O)[O-])Cc1ccccc1O ZINC000829464725 600852314 /nfs/dbraw/zinc/85/23/14/600852314.db2.gz NEZKIMOROWGGSK-UHFFFAOYSA-N 0 0 356.422 2.965 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1O ZINC000833307568 604639575 /nfs/dbraw/zinc/63/95/75/604639575.db2.gz JHHBYJQFKATOEN-DLBZAZTESA-N 0 0 359.447 2.950 20 10 FFCDRN O=C(CSc1ccc(-c2nn[nH]n2)cc1Cl)c1ccc(O)c(O)c1 ZINC000826421138 607844983 /nfs/dbraw/zinc/84/49/83/607844983.db2.gz UAWARTOPQVWFIY-UHFFFAOYSA-N 0 0 362.798 2.906 20 10 FFCDRN COc1cccc(CNc2ccc(OC(C)C)c(-c3nn[nH]n3)c2)c1O ZINC000826215901 609493257 /nfs/dbraw/zinc/49/32/57/609493257.db2.gz BRFJUMYTGWNELS-UHFFFAOYSA-N 0 0 355.398 2.980 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)Nc1ccn(CC(F)F)n1 ZINC000542952651 673617395 /nfs/dbraw/zinc/61/73/95/673617395.db2.gz BVFHFLFHLAOIPH-UHFFFAOYSA-N 0 0 351.357 2.645 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1c[nH]c(C)cc1=O ZINC000155018329 728817983 /nfs/dbraw/zinc/81/79/83/728817983.db2.gz FRAWOOGORMINIF-UHFFFAOYSA-N 0 0 365.227 2.814 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCc2ccccc2O)c(Br)c1 ZINC000158586679 728890790 /nfs/dbraw/zinc/89/07/90/728890790.db2.gz VYCHRKLUFCZGMU-UHFFFAOYSA-N 0 0 356.241 2.942 20 10 FFCDRN COC[C@@]1(C)CC(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C1 ZINC000158834732 728895093 /nfs/dbraw/zinc/89/50/93/728895093.db2.gz BZYRWRXHDDIJAI-SFHVURJKSA-N 0 0 354.397 2.883 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccccc1I ZINC000158916071 728896846 /nfs/dbraw/zinc/89/68/46/728896846.db2.gz CLHFHVZYKALTAA-UHFFFAOYSA-N 0 0 369.158 2.632 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cnn(-c2ccc(F)cc2)n1 ZINC000160028473 728916339 /nfs/dbraw/zinc/91/63/39/728916339.db2.gz GHSGSNSKXRNMNH-UHFFFAOYSA-N 0 0 363.443 2.775 20 10 FFCDRN C[C@@H](NC(=O)C[C@@H]1CSCCS1)c1ccc(N2CCOCC2)cc1 ZINC000161454110 728932147 /nfs/dbraw/zinc/93/21/47/728932147.db2.gz RWHUXNHCQBUQPB-RHSMWYFYSA-N 0 0 366.552 2.939 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1cscc1Cl)c1ccc(N(C)C)cc1 ZINC000897865847 735286940 /nfs/dbraw/zinc/28/69/40/735286940.db2.gz NZFZWLYHPTUWCY-NSHDSACASA-N 0 0 365.886 2.961 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(Br)s1 ZINC000743373680 735293369 /nfs/dbraw/zinc/29/33/69/735293369.db2.gz UZYYIBRZLYIAQS-VQHVLOKHSA-N 0 0 359.270 2.813 20 10 FFCDRN CCOc1ccc(C[NH2+][C@]23CCC[C@@]2(OCCOC)OCC3)c(O)c1 ZINC000898000725 735301899 /nfs/dbraw/zinc/30/18/99/735301899.db2.gz CHIQXNACEIJQPU-OALUTQOASA-N 0 0 351.443 2.583 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)c2cc3cc(O)c(O)cc3s2)C[C@H]1C1CC1 ZINC000898297323 735339126 /nfs/dbraw/zinc/33/91/26/735339126.db2.gz RLVVCMNKZVRZDY-NWDGAFQWSA-N 0 0 361.419 2.584 20 10 FFCDRN CC(C)(CNC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)N1CCCC1 ZINC000899144066 735452622 /nfs/dbraw/zinc/45/26/22/735452622.db2.gz VZXKTJJDAKLMOF-UHFFFAOYSA-N 0 0 362.451 2.691 20 10 FFCDRN O=C(NCCc1nccs1)NCc1ccc(N2CCSCC2)cc1 ZINC000051336584 728068128 /nfs/dbraw/zinc/06/81/28/728068128.db2.gz WICFMCFTOYKWME-UHFFFAOYSA-N 0 0 362.524 2.738 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NC2CCN(CC(F)F)CC2)cc1 ZINC000064255768 728147213 /nfs/dbraw/zinc/14/72/13/728147213.db2.gz HTWTYCLJAKCFLT-UHFFFAOYSA-N 0 0 354.445 2.624 20 10 FFCDRN CCCC[C@H](NC(N)=O)C(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066841403 728178425 /nfs/dbraw/zinc/17/84/25/728178425.db2.gz TWTDOFRTAXAULG-HNNXBMFYSA-N 0 0 352.454 2.515 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CNC(=O)CCC(C)C)cc1F ZINC000066931682 728179096 /nfs/dbraw/zinc/17/90/96/728179096.db2.gz KFVXLJUBNCLYQG-UHFFFAOYSA-N 0 0 351.466 2.841 20 10 FFCDRN CC(=O)c1cc(F)cc(CN[C@@](C)(C(N)=O)c2cccc(Cl)c2)c1O ZINC000079498226 728313701 /nfs/dbraw/zinc/31/37/01/728313701.db2.gz GOZVDGSRFFRWKJ-GOSISDBHSA-N 0 0 364.804 2.878 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3c(C)noc3Cl)CC2)cc1F ZINC000084814812 728425942 /nfs/dbraw/zinc/42/59/42/728425942.db2.gz TZKVRHCEBGAGMQ-UHFFFAOYSA-N 0 0 367.808 2.675 20 10 FFCDRN CCOC(=O)CN(Cc1ccc(N2CCOCC2)c(F)c1)CC(C)C ZINC000091789795 728462406 /nfs/dbraw/zinc/46/24/06/728462406.db2.gz HEFBCGXQVSBCPQ-UHFFFAOYSA-N 0 0 352.450 2.683 20 10 FFCDRN COCCN(Cc1ccc(N2CCOCC2)c(F)c1)CC(F)(F)F ZINC000092645748 728469635 /nfs/dbraw/zinc/46/96/35/728469635.db2.gz AABBNPLVLTUHAH-UHFFFAOYSA-N 0 0 350.356 2.673 20 10 FFCDRN Cc1ccc(Cl)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000093901549 728478457 /nfs/dbraw/zinc/47/84/57/728478457.db2.gz BUHDLMGPTKMYAQ-UHFFFAOYSA-N 0 0 354.815 2.978 20 10 FFCDRN C[C@H](c1ccccc1F)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000093928704 728478906 /nfs/dbraw/zinc/47/89/06/728478906.db2.gz YOSDWGRWMUTOQR-LLVKDONJSA-N 0 0 366.414 2.736 20 10 FFCDRN Cc1cc(C(=O)NCCCO)c(C)n1-c1ccc(Br)cc1 ZINC000097176257 728482367 /nfs/dbraw/zinc/48/23/67/728482367.db2.gz ZVLTVSQWJCTVLC-UHFFFAOYSA-N 0 0 351.244 2.969 20 10 FFCDRN CCC[C@@H](C)CS(=O)(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000113281304 728553773 /nfs/dbraw/zinc/55/37/73/728553773.db2.gz JJGUSCUOWKWZEU-MRXNPFEDSA-N 0 0 354.516 2.973 20 10 FFCDRN COc1cccc(/C=C2/SC(N3CCOCC3)=NC2=O)c1OC(C)C ZINC000747148368 735538663 /nfs/dbraw/zinc/53/86/63/735538663.db2.gz WOZMQKBUCXOHFI-RVDMUPIBSA-N 0 0 362.451 2.785 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNS(=O)(=O)Cc1ccc(Cl)nc1 ZINC000115592769 728566428 /nfs/dbraw/zinc/56/64/28/728566428.db2.gz ROTNBTPEHHCURC-UHFFFAOYSA-N 0 0 353.875 2.729 20 10 FFCDRN O=S(=O)(c1cccc(F)c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000119310414 728591619 /nfs/dbraw/zinc/59/16/19/728591619.db2.gz QEQKIJUIOKVNJS-MRXNPFEDSA-N 0 0 365.426 2.901 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)Cc2cccc3cccnc32)c1 ZINC000119840457 728601352 /nfs/dbraw/zinc/60/13/52/728601352.db2.gz YAWINZARQCFYAK-UHFFFAOYSA-N 0 0 358.419 2.569 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000123936275 728664748 /nfs/dbraw/zinc/66/47/48/728664748.db2.gz KUZYTUCDITVDBX-MRXNPFEDSA-N 0 0 360.479 2.662 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)cn1 ZINC000126493854 728703749 /nfs/dbraw/zinc/70/37/49/728703749.db2.gz AQBUKBUQTLZYRN-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cccnc2Br)cc1F ZINC000127851503 728707457 /nfs/dbraw/zinc/70/74/57/728707457.db2.gz SJAAFTUFHPEUFQ-UHFFFAOYSA-N 0 0 352.207 2.979 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCC(=O)N1CCOC[C@H]1C1CC1 ZINC000128411677 728708707 /nfs/dbraw/zinc/70/87/07/728708707.db2.gz UZVYUVKXAGTLFJ-KRWDZBQOSA-N 0 0 357.479 2.817 20 10 FFCDRN CSCCCCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000133018454 728726048 /nfs/dbraw/zinc/72/60/48/728726048.db2.gz IAADTYDOXGNFAW-UHFFFAOYSA-N 0 0 369.506 2.729 20 10 FFCDRN CCS(=O)(=O)c1cccc(C(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC000134872723 728733580 /nfs/dbraw/zinc/73/35/80/728733580.db2.gz CKSXGNLTAJPEAM-UHFFFAOYSA-N 0 0 364.442 2.615 20 10 FFCDRN C[C@@H]1CSCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000172358102 729024099 /nfs/dbraw/zinc/02/40/99/729024099.db2.gz GCFPRBITXHKWRR-CQSZACIVSA-N 0 0 351.541 2.887 20 10 FFCDRN O=C(NCCCSc1nccs1)c1cn(Cc2cccs2)nn1 ZINC000173388028 729045864 /nfs/dbraw/zinc/04/58/64/729045864.db2.gz XGPGLFNHSJPKEV-UHFFFAOYSA-N 0 0 365.509 2.757 20 10 FFCDRN COc1cccc(CNC(=O)NCCOc2ccc(F)c(F)c2)c1O ZINC000174779487 729079042 /nfs/dbraw/zinc/07/90/42/729079042.db2.gz LOYTYEMYHRBHEU-UHFFFAOYSA-N 0 0 352.337 2.557 20 10 FFCDRN COCC1(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000778808679 738412831 /nfs/dbraw/zinc/41/28/31/738412831.db2.gz JFGHVVSMXTYFAE-CYBMUJFWSA-N 0 0 354.397 2.800 20 10 FFCDRN O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000179341645 729184116 /nfs/dbraw/zinc/18/41/16/729184116.db2.gz NYNGRYPXZZUJRC-LBPRGKRZSA-N 0 0 367.833 2.692 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000182510244 729280526 /nfs/dbraw/zinc/28/05/26/729280526.db2.gz HCCHQIPGXUYBFT-UHFFFAOYSA-N 0 0 356.256 2.955 20 10 FFCDRN O=C(Cc1ccc(I)cc1)NCc1ccccc1O ZINC000754206687 736135333 /nfs/dbraw/zinc/13/53/33/736135333.db2.gz IVGDXEVNDWENQU-UHFFFAOYSA-N 0 0 367.186 2.856 20 10 FFCDRN COCC1=CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)CC1 ZINC000188419403 729388020 /nfs/dbraw/zinc/38/80/20/729388020.db2.gz BPQBHZPAKBXTTD-UHFFFAOYSA-N 0 0 361.511 2.728 20 10 FFCDRN COCC[C@](C)(O)C[NH2+][C@H](C)c1cc(Br)c(F)cc1[O-] ZINC000756586749 736345436 /nfs/dbraw/zinc/34/54/36/736345436.db2.gz UCVTXVSHGSBZSB-OTYXRUKQSA-N 0 0 350.228 2.732 20 10 FFCDRN Cc1csc(CNC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)n1 ZINC000193065976 729467538 /nfs/dbraw/zinc/46/75/38/729467538.db2.gz QAKIFKWBQXDBQR-UHFFFAOYSA-N 0 0 360.483 2.630 20 10 FFCDRN CN(C(=O)/C=C\c1ccc(Cl)nc1)c1ccc(S(C)(=O)=O)cc1 ZINC000255297611 729635857 /nfs/dbraw/zinc/63/58/57/729635857.db2.gz RFXROJMEAWOJLC-WMZJFQQLSA-N 0 0 350.827 2.815 20 10 FFCDRN CCS(=O)(=O)C1(CNC(=O)c2sccc2-n2c(C)ccc2C)CC1 ZINC000856124517 730306171 /nfs/dbraw/zinc/30/61/71/730306171.db2.gz ZTPQAWNPMVZJOF-UHFFFAOYSA-N 0 0 366.508 2.853 20 10 FFCDRN C[C@H]1[C@H](C)N(C(=O)C2=CC(=O)CS2)CCN1C(=O)C1=CC(=O)CS1 ZINC000856338199 730326936 /nfs/dbraw/zinc/32/69/36/730326936.db2.gz BFLPXRXNLJRBMU-UWVGGRQHSA-N 0 0 366.464 2.596 20 10 FFCDRN Cc1ccc(/C=C\C(=O)N2CCCc3cc(S(C)(=O)=O)ccc32)cn1 ZINC000779472423 738467141 /nfs/dbraw/zinc/46/71/41/738467141.db2.gz YNSGCYOKPVWZGL-YFHOEESVSA-N 0 0 356.447 2.786 20 10 FFCDRN COC(=O)c1cnc([C@@H]2CCCN(C(=O)C3=CC(=O)CS3)C2)s1 ZINC000856459560 730339159 /nfs/dbraw/zinc/33/91/59/730339159.db2.gz GOXMOWRISJCFEE-SECBINFHSA-N 0 0 352.437 2.717 20 10 FFCDRN CCc1noc(C[C@]2(O)CCC[N@H+](Cc3cc(Cl)c(F)cc3[O-])C2)n1 ZINC000856595269 730346578 /nfs/dbraw/zinc/34/65/78/730346578.db2.gz RWPLCBLKLMOICP-QGZVFWFLSA-N 0 0 369.824 2.700 20 10 FFCDRN O=C(NCC[C@H]1CC1(Cl)Cl)NCc1ccc(N2CCOCC2)cc1 ZINC000856827097 730360693 /nfs/dbraw/zinc/36/06/93/730360693.db2.gz OZRUDSXMQJBNED-AWEZNQCLSA-N 0 0 372.296 2.906 20 10 FFCDRN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000858154703 730418008 /nfs/dbraw/zinc/41/80/08/730418008.db2.gz PKMSHZRXGCVVKC-FSZRXZPDSA-N 0 0 363.527 2.851 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCO[C@@H](CCF)C1 ZINC000858154618 730418058 /nfs/dbraw/zinc/41/80/58/730418058.db2.gz NETKAPLDCBZMAA-KRWDZBQOSA-N 0 0 367.490 2.510 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCN(C3CCC3)C2=O)c1 ZINC000858342593 730423410 /nfs/dbraw/zinc/42/34/10/730423410.db2.gz OEILFTAWFKFSLB-AWEZNQCLSA-N 0 0 353.260 2.706 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)CN(C)C(=O)OC(C)(C)C)c1 ZINC000858624746 730430291 /nfs/dbraw/zinc/43/02/91/730430291.db2.gz KBBHVCWPYPFWPE-CYBMUJFWSA-N 0 0 351.447 2.755 20 10 FFCDRN Cc1cc(CNS(=O)(=O)CC2CCOCC2)c(C)n1-c1ccccc1 ZINC000859363325 730452020 /nfs/dbraw/zinc/45/20/20/730452020.db2.gz VUZZIRRDAHYMNZ-UHFFFAOYSA-N 0 0 362.495 2.940 20 10 FFCDRN COC(=O)c1cnc(C2CCN(C(=O)Nc3ccc(N)cc3)CC2)s1 ZINC000859698123 730463322 /nfs/dbraw/zinc/46/33/22/730463322.db2.gz QHGNZXJDHJDIAD-UHFFFAOYSA-N 0 0 360.439 2.923 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@@]1(O)CCSC1 ZINC000859827251 730466825 /nfs/dbraw/zinc/46/68/25/730466825.db2.gz MGMPJCKDLUEICS-IBGZPJMESA-N 0 0 358.463 2.504 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H]3C[C@@]3(C)Br)CC2)cc1F ZINC000859966178 730470661 /nfs/dbraw/zinc/47/06/61/730470661.db2.gz QERFRDABWAXVLP-MLGOLLRUSA-N 0 0 371.250 2.656 20 10 FFCDRN CS[C@H](CO)[C@@H](C)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000860162615 730482666 /nfs/dbraw/zinc/48/26/66/730482666.db2.gz QYLKIVHDUBQRBH-FZKQIMNGSA-N 0 0 360.479 2.749 20 10 FFCDRN CC(C)(C)OC(=O)C1(C(=O)NCc2ccccc2O)CCSCC1 ZINC000860232683 730491842 /nfs/dbraw/zinc/49/18/42/730491842.db2.gz CKZBYCQQIOEEDI-UHFFFAOYSA-N 0 0 351.468 2.864 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCC[C@@]12CCCO2 ZINC000925099004 738478356 /nfs/dbraw/zinc/47/83/56/738478356.db2.gz OYHWUVUWJPRWFK-MAUKXSAKSA-N 0 0 364.829 2.912 20 10 FFCDRN COC(=O)c1cccc(NNC(=S)Nc2ccc(NC(C)=O)cc2)c1 ZINC000779725815 738479667 /nfs/dbraw/zinc/47/96/67/738479667.db2.gz BCFHRLLMTXIHPI-UHFFFAOYSA-N 0 0 358.423 2.745 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@@H]1CCCC12CC2 ZINC000861946294 730656577 /nfs/dbraw/zinc/65/65/77/730656577.db2.gz BXGXMAJXEMGPAY-AWEZNQCLSA-N 0 0 350.409 2.998 20 10 FFCDRN CCOCc1nc([C@H](C)NCc2c(O)cccc2Br)no1 ZINC000862370669 730693254 /nfs/dbraw/zinc/69/32/54/730693254.db2.gz PZIWGMAYJMRUBD-VIFPVBQESA-N 0 0 356.220 2.925 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000862527604 730706593 /nfs/dbraw/zinc/70/65/93/730706593.db2.gz CQNBLRZKDGJXQO-WKFQBHICSA-N 0 0 365.065 2.778 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCS(=O)(=O)[C@@H]2C)c(C)n1-c1ccccc1C ZINC000862991745 730740415 /nfs/dbraw/zinc/74/04/15/730740415.db2.gz BLAIUKBFWKNXAP-NVXWUHKLSA-N 0 0 360.479 2.708 20 10 FFCDRN Cc1cc(C(=O)CSCCC(N)=O)c(C)n1-c1ccc(Cl)cn1 ZINC000863382855 730774505 /nfs/dbraw/zinc/77/45/05/730774505.db2.gz WBPLNYTUPDNTLE-UHFFFAOYSA-N 0 0 351.859 2.934 20 10 FFCDRN Cc1ccc(C(=O)N[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H]2C)c(O)c1O ZINC000863721291 730804621 /nfs/dbraw/zinc/80/46/21/730804621.db2.gz YUITYZYKHKPNQT-YPMHNXCESA-N 0 0 350.415 2.534 20 10 FFCDRN Fc1cc(CNc2nnc([C@@H]3CCCO3)s2)ccc1N1CCOCC1 ZINC000865295418 730936176 /nfs/dbraw/zinc/93/61/76/730936176.db2.gz DYHYMISFOUCWGH-HNNXBMFYSA-N 0 0 364.446 2.977 20 10 FFCDRN CCOC(=O)c1ncc(COc2ccc(N(C)C)c(C(=O)OC)c2)s1 ZINC000865395163 730949741 /nfs/dbraw/zinc/94/97/41/730949741.db2.gz LNPKYXKWUPSCJW-UHFFFAOYSA-N 0 0 364.423 2.751 20 10 FFCDRN CCOC(=O)CCc1cc(Sc2ncc(C(=O)OC)s2)nc(C)n1 ZINC000865843973 731003178 /nfs/dbraw/zinc/00/31/78/731003178.db2.gz WRTAFRNAGVAWGP-UHFFFAOYSA-N 0 0 367.452 2.675 20 10 FFCDRN O=c1[nH]c(C[NH2+]Cc2cc(Cl)cc(Cl)c2[O-])nc2c1COCC2 ZINC000865867534 731005936 /nfs/dbraw/zinc/00/59/36/731005936.db2.gz OHZCOIHJKDSVGL-UHFFFAOYSA-N 0 0 356.209 2.557 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1CCN(OC)CC1 ZINC000866604489 731079649 /nfs/dbraw/zinc/07/96/49/731079649.db2.gz WWVWIANQWMKHHN-UHFFFAOYSA-N 0 0 371.275 2.777 20 10 FFCDRN C[C@H](NS(=O)(=O)c1c[nH]nc1C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000867124385 731146723 /nfs/dbraw/zinc/14/67/23/731146723.db2.gz AANFJDPCINLKNC-VIFPVBQESA-N 0 0 362.377 2.534 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C1CS(=O)(=O)C1 ZINC000867222916 731157061 /nfs/dbraw/zinc/15/70/61/731157061.db2.gz PEUGMHCRCAPZQO-CQSZACIVSA-N 0 0 359.447 2.527 20 10 FFCDRN COc1ccc(CNC(=O)c2c(C(F)F)nc3n2CCCC3)c(O)c1 ZINC000867955475 731245447 /nfs/dbraw/zinc/24/54/47/731245447.db2.gz AYDMYGJSPFWRIQ-UHFFFAOYSA-N 0 0 351.353 2.801 20 10 FFCDRN CO[C@@H]1CC[C@@H](C)N(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000868117425 731260736 /nfs/dbraw/zinc/26/07/36/731260736.db2.gz UFZBZZXAMCXGBN-CRAIPNDOSA-N 0 0 363.527 2.949 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)c1ccnn1C ZINC000868117646 731260761 /nfs/dbraw/zinc/26/07/61/731260761.db2.gz WXKSNMSNRDJROH-AWEZNQCLSA-N 0 0 359.499 2.534 20 10 FFCDRN Cc1ccn(C[C@H](C)C(=O)NCc2cc(Br)ccc2O)n1 ZINC000868307317 731279858 /nfs/dbraw/zinc/27/98/58/731279858.db2.gz XOJRLPASNIFKCY-JTQLQIEISA-N 0 0 352.232 2.612 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCC[C@H]3CCSC3)CC2)cc1F ZINC000868830862 731335645 /nfs/dbraw/zinc/33/56/45/731335645.db2.gz SDKQDVVWRINWRO-AWEZNQCLSA-N 0 0 367.490 2.809 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCC[C@@H]3CCSC3)CC2)cc1F ZINC000868830863 731335666 /nfs/dbraw/zinc/33/56/66/731335666.db2.gz SDKQDVVWRINWRO-CQSZACIVSA-N 0 0 367.490 2.809 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCCCSC)CC2)c(OC)c1 ZINC000870163848 731477962 /nfs/dbraw/zinc/47/79/62/731477962.db2.gz IRQKQFBZGISBGI-UHFFFAOYSA-N 0 0 352.500 2.886 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)CC(F)(F)F)CC2)c(OC)c1 ZINC000870165655 731478325 /nfs/dbraw/zinc/47/83/25/731478325.db2.gz IGNVVSRNPFKTPM-LBPRGKRZSA-N 0 0 360.376 2.941 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3cnn(C(F)F)c3)C2)cc1 ZINC000870441128 731515107 /nfs/dbraw/zinc/51/51/07/731515107.db2.gz UHDPJXXHVSWLDT-LBPRGKRZSA-N 0 0 351.353 2.970 20 10 FFCDRN COCC[N@H+](C)Cc1cc(Br)cc(Br)c1[O-] ZINC000775648791 738108934 /nfs/dbraw/zinc/10/89/34/738108934.db2.gz XIJHDLVQSZFHDD-UHFFFAOYSA-N 0 0 353.054 2.995 20 10 FFCDRN CSCCc1ccccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000873683684 731951902 /nfs/dbraw/zinc/95/19/02/731951902.db2.gz FBRTYOKZULEUTL-UHFFFAOYSA-N 0 0 358.463 2.895 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C3(Br)CC3)CC2)cc1 ZINC000874110355 732011441 /nfs/dbraw/zinc/01/14/41/732011441.db2.gz PTDAJEAUJBTRIR-UHFFFAOYSA-N 0 0 353.260 2.661 20 10 FFCDRN C[C@H](NC(=O)C(=O)N[C@@H](C1CCCC1)C(F)(F)F)c1ccccc1O ZINC000874191648 732023653 /nfs/dbraw/zinc/02/36/53/732023653.db2.gz KIBBDGOOZGINEA-HZMBPMFUSA-N 0 0 358.360 2.807 20 10 FFCDRN CC(C)(O)[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000875104060 732128324 /nfs/dbraw/zinc/12/83/24/732128324.db2.gz SYHPQBSCZFEQIV-MRXNPFEDSA-N 0 0 363.527 2.542 20 10 FFCDRN C[C@@H](NC(=O)N(C)OCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000875157617 732131833 /nfs/dbraw/zinc/13/18/33/732131833.db2.gz KVRIUHMYVLAPGA-GFCCVEGCSA-N 0 0 361.364 2.720 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@H]2CCCn3cc(C(F)(F)F)nc32)cc1 ZINC000876527340 732254492 /nfs/dbraw/zinc/25/44/92/732254492.db2.gz ASDAYHKTBHMNGR-ZDUSSCGKSA-N 0 0 352.360 2.720 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1cccc(NS(C)(=O)=O)c1 ZINC000876976670 732306145 /nfs/dbraw/zinc/30/61/45/732306145.db2.gz OHDOSPAGZBWSRR-JTQLQIEISA-N 0 0 356.394 2.893 20 10 FFCDRN CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)c2ccc(N)cc2)c1 ZINC000877081085 732321980 /nfs/dbraw/zinc/32/19/80/732321980.db2.gz UFHLYJBYHVNKRM-UHFFFAOYSA-N 0 0 361.467 2.574 20 10 FFCDRN COC(=O)[C@@](C)(Cc1ccc(Cl)cc1)NC(=O)Cc1ccc(N)cc1 ZINC000877206755 732334035 /nfs/dbraw/zinc/33/40/35/732334035.db2.gz OUQQYXWNWJPIJN-LJQANCHMSA-N 0 0 360.841 2.755 20 10 FFCDRN COc1ccc(CNC(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)O2)c(O)c1 ZINC000926397754 738609988 /nfs/dbraw/zinc/60/99/88/738609988.db2.gz SKCRRHSQTWKKRT-GXTWGEPZSA-N 0 0 362.348 2.700 20 10 FFCDRN CC(C)(C)OC(=O)N(CCO)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000877677697 732411595 /nfs/dbraw/zinc/41/15/95/732411595.db2.gz YXRVFIVTKPAYEF-UHFFFAOYSA-N 0 0 350.459 2.586 20 10 FFCDRN Cc1cc(O)c(CN2CCc3c(cccc3S(N)(=O)=O)C2)cc1Cl ZINC000877761800 732425276 /nfs/dbraw/zinc/42/52/76/732425276.db2.gz PPSCHPKYWOUARX-UHFFFAOYSA-N 0 0 366.870 2.560 20 10 FFCDRN C[C@@H](NC(=O)Cc1c(Br)cnn1C)c1ccc(N(C)C)cc1 ZINC000879538947 732717914 /nfs/dbraw/zinc/71/79/14/732717914.db2.gz NGDPOWKENBLFFO-LLVKDONJSA-N 0 0 365.275 2.669 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000781905951 738670031 /nfs/dbraw/zinc/67/00/31/738670031.db2.gz SAOASAZFNNVESE-ZIAGYGMSSA-N 0 0 353.260 2.706 20 10 FFCDRN CSCc1cn(CC(=O)c2cc(C)n(-c3ccc(F)cn3)c2C)nn1 ZINC000881357374 733044416 /nfs/dbraw/zinc/04/44/16/733044416.db2.gz SKOJCKHDXJPBMR-UHFFFAOYSA-N 0 0 359.430 2.966 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)C[C@]3(C)CC3(F)F)CC2)cc1 ZINC000881803552 733111923 /nfs/dbraw/zinc/11/19/23/733111923.db2.gz ZMKCENWHSHPKGE-INIZCTEOSA-N 0 0 374.453 2.582 20 10 FFCDRN COC(=O)C1(S(=O)(=O)N(Cc2ccccc2O)C2CCCC2)CCC1 ZINC000881921175 733136766 /nfs/dbraw/zinc/13/67/66/733136766.db2.gz ZCZMQNPYHLIMAQ-UHFFFAOYSA-N 0 0 367.467 2.562 20 10 FFCDRN C[C@@H]([NH2+]Cc1cc(F)cc(F)c1[O-])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000882967550 733316241 /nfs/dbraw/zinc/31/62/41/733316241.db2.gz KPKKQYQKCPSHMF-LLVKDONJSA-N 0 0 370.421 2.772 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CCOC[C@H]1CCOC1 ZINC000882991333 733319181 /nfs/dbraw/zinc/31/91/81/733319181.db2.gz WCZPTNHHSLMIPY-JTQLQIEISA-N 0 0 364.667 2.951 20 10 FFCDRN NC(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000883016164 733321241 /nfs/dbraw/zinc/32/12/41/733321241.db2.gz PJGFBCVDDFMFID-LDYMZIIASA-N 0 0 361.667 2.942 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@H](CCO)C1CCOCC1 ZINC000883088627 733331238 /nfs/dbraw/zinc/33/12/38/733331238.db2.gz LVTYDTKLRBKGJW-CQSZACIVSA-N 0 0 362.239 2.561 20 10 FFCDRN CC(=O)N1CCC[C@@H](C[NH2+]Cc2cc(Br)cc(F)c2[O-])C1 ZINC000883107896 733334790 /nfs/dbraw/zinc/33/47/90/733334790.db2.gz OMUTUHDCCUJKIJ-NSHDSACASA-N 0 0 359.239 2.642 20 10 FFCDRN CS(=O)(=O)c1cc(NCc2ccc(N3CCOCC3)cc2)ccc1F ZINC000883144352 733341730 /nfs/dbraw/zinc/34/17/30/733341730.db2.gz MDRQUFKMHKOMDE-UHFFFAOYSA-N 0 0 364.442 2.678 20 10 FFCDRN O=C1C[C@@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CN1C1CC1 ZINC000883159037 733344239 /nfs/dbraw/zinc/34/42/39/733344239.db2.gz YNGIGGUXBSWERW-VIFPVBQESA-N 0 0 373.678 2.909 20 10 FFCDRN C=C/C=C\CCNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000883686231 733422959 /nfs/dbraw/zinc/42/29/59/733422959.db2.gz DLFMUJURVBFBEX-ARJAWSKDSA-N 0 0 351.397 2.733 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)CCCC3CC3)C2)cc1 ZINC000885252278 733641497 /nfs/dbraw/zinc/64/14/97/733641497.db2.gz YZHKILVOVRKOQJ-INIZCTEOSA-N 0 0 352.500 2.631 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000887895872 733989907 /nfs/dbraw/zinc/98/99/07/733989907.db2.gz OPHMZQVYTBEDTM-SECBINFHSA-N 0 0 353.300 2.536 20 10 FFCDRN C[C@@H](NC(=O)N1CC[C@@](CO)(C(F)(F)F)C1)c1ccc(N(C)C)cc1 ZINC000888829341 734103143 /nfs/dbraw/zinc/10/31/43/734103143.db2.gz DRQHSEFGDSWSRD-MLGOLLRUSA-N 0 0 359.392 2.770 20 10 FFCDRN Cn1cc([C@@H]2CSCCCN2C(=O)/C=C/c2ccc(O)c(O)c2)cn1 ZINC000888888097 734112061 /nfs/dbraw/zinc/11/20/61/734112061.db2.gz CZMUSPRIGMBBNF-DRDHIDPGSA-N 0 0 359.451 2.551 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000708204248 734362624 /nfs/dbraw/zinc/36/26/24/734362624.db2.gz LYQCAIIQUWYKMH-LBPRGKRZSA-N 0 0 352.681 2.766 20 10 FFCDRN O=C(C[C@H]1CCCO1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726567847 734434796 /nfs/dbraw/zinc/43/47/96/734434796.db2.gz QTHNXTQMUWHLQM-MRXNPFEDSA-N 0 0 354.397 2.942 20 10 FFCDRN O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc(O)c(O)c1 ZINC000783553052 738814609 /nfs/dbraw/zinc/81/46/09/738814609.db2.gz NKIUHKFHMOVYJS-UHFFFAOYSA-N 0 0 351.698 2.699 20 10 FFCDRN COc1ccc2cc(/C=C3/SC(=S)N(CC(N)=O)C3=O)ccc2c1 ZINC000727175450 734470278 /nfs/dbraw/zinc/47/02/78/734470278.db2.gz BOEJMIUKUXPIBO-VGOFMYFVSA-N 0 0 358.444 2.535 20 10 FFCDRN COC(=O)CN(Cc1cn(C)nc1C1CC1)Cc1cc(Cl)ccc1O ZINC000891991607 734504685 /nfs/dbraw/zinc/50/46/85/734504685.db2.gz DPBWREJVXQOCLO-UHFFFAOYSA-N 0 0 363.845 2.832 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(SC)cc2)c1 ZINC000729064956 734556510 /nfs/dbraw/zinc/55/65/10/734556510.db2.gz WWAISAVJHJJDKB-LLVKDONJSA-N 0 0 360.435 2.939 20 10 FFCDRN COc1cc(Br)cc([C@@H]2NC3(CCCC3)C(=O)N2C)c1O ZINC000731853479 734701176 /nfs/dbraw/zinc/70/11/76/734701176.db2.gz FYEGKUQFWYYLSS-CYBMUJFWSA-N 0 0 355.232 2.536 20 10 FFCDRN CNc1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc(Cl)n1 ZINC000731877493 734703463 /nfs/dbraw/zinc/70/34/63/734703463.db2.gz RBIOUZOEWMOGCN-UHFFFAOYSA-N 0 0 360.845 2.543 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC000732263383 734728650 /nfs/dbraw/zinc/72/86/50/734728650.db2.gz DSXBRALAOKYSNU-UHFFFAOYSA-N 0 0 366.870 2.944 20 10 FFCDRN O=C(NCc1ccc(F)cc1)C1CCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000732273357 734729064 /nfs/dbraw/zinc/72/90/64/734729064.db2.gz RPDSBDCQVQKFOE-UHFFFAOYSA-N 0 0 362.426 2.761 20 10 FFCDRN COc1ccc(CN2CCN([C@H](C)c3nccs3)CC2)c(O)c1OC ZINC000893633524 734730292 /nfs/dbraw/zinc/73/02/92/734730292.db2.gz YLQLBQJEBZRECK-CYBMUJFWSA-N 0 0 363.483 2.745 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000732285579 734730595 /nfs/dbraw/zinc/73/05/95/734730595.db2.gz CCVFDVZAWPHAOD-UHFFFAOYSA-N 0 0 368.817 2.844 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@H](CO)c1cc(F)ccc1F ZINC000893644233 734731682 /nfs/dbraw/zinc/73/16/82/734731682.db2.gz CXJRMDMWICDGQM-CYBMUJFWSA-N 0 0 373.450 2.936 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCOC[C@H]1C[C@@H]1CCCO1 ZINC000893642395 734731729 /nfs/dbraw/zinc/73/17/29/734731729.db2.gz ONUQCISAXNGOFI-KGLIPLIRSA-N 0 0 371.528 2.605 20 10 FFCDRN CN(CCCOc1ccc(F)cc1)C(=O)COC(=O)C1=CC(=O)CS1 ZINC000732354927 734736837 /nfs/dbraw/zinc/73/68/37/734736837.db2.gz WRUBQQFHPGQGMR-UHFFFAOYSA-N 0 0 367.398 2.677 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(C)(=O)=O)o1 ZINC000733092377 734788966 /nfs/dbraw/zinc/78/89/66/734788966.db2.gz SFCXOAPXSOOHNK-UHFFFAOYSA-N 0 0 364.467 2.800 20 10 FFCDRN COc1ccc(OC)c(S(=O)(=O)NCCCSc2nccs2)c1 ZINC000733898973 734857313 /nfs/dbraw/zinc/85/73/13/734857313.db2.gz APQXWWCUYDEUGO-UHFFFAOYSA-N 0 0 374.509 2.621 20 10 FFCDRN CS[C@@H](C)CCC(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894594358 734884568 /nfs/dbraw/zinc/88/45/68/734884568.db2.gz HVPALSIEEOGBJX-AWEZNQCLSA-N 0 0 363.527 2.536 20 10 FFCDRN CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1ccc(N(C)C)cc1C ZINC000734406542 734894351 /nfs/dbraw/zinc/89/43/51/734894351.db2.gz UTWYYRNMNCRMTJ-DYVFJYSZSA-N 0 0 363.527 2.625 20 10 FFCDRN Cc1cc(CCNS(=O)(=O)N(C)CC2CC2)c(C)n1-c1ccccc1 ZINC000738353187 735028819 /nfs/dbraw/zinc/02/88/19/735028819.db2.gz NNTZPFXBTSMMMM-UHFFFAOYSA-N 0 0 361.511 2.813 20 10 FFCDRN CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1ccc(Br)cc1O ZINC000895863236 735066376 /nfs/dbraw/zinc/06/63/76/735066376.db2.gz JPXRVLLMGUXTGV-UONOGXRCSA-N 0 0 372.259 2.745 20 10 FFCDRN C[C@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(=O)N1CCCC[C@H]1C ZINC000896080594 735098940 /nfs/dbraw/zinc/09/89/40/735098940.db2.gz BXQPBKIDETZEKD-MNOVXSKESA-N 0 0 362.451 2.832 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000741090736 735117558 /nfs/dbraw/zinc/11/75/58/735117558.db2.gz MTADOZBEVNSIEW-OAHLLOKOSA-N 0 0 355.360 2.536 20 10 FFCDRN COc1cc(N(C)CC(=O)Nc2cccnc2Cl)cc(OC)c1OC ZINC000741798767 735162650 /nfs/dbraw/zinc/16/26/50/735162650.db2.gz LPQAXEZMNCEHLC-UHFFFAOYSA-N 0 0 365.817 2.836 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000897173486 735200846 /nfs/dbraw/zinc/20/08/46/735200846.db2.gz UXIFODMSWSOFRW-AWEZNQCLSA-N 0 0 370.287 2.908 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)c2cc3cc(O)c(O)cc3s2)[C@@]12CCCO2 ZINC000897390879 735227833 /nfs/dbraw/zinc/22/78/33/735227833.db2.gz XBUOQCDYARPIIG-NUJGCVRESA-N 0 0 363.435 2.769 20 10 FFCDRN CSCC(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000742754997 735253913 /nfs/dbraw/zinc/25/39/13/735253913.db2.gz UAFSAHOJQQEBNH-HNNXBMFYSA-N 0 0 367.515 2.798 20 10 FFCDRN C[C@H]1OCC[C@]12CN(C(=O)c1cc3cc(O)c(O)cc3s1)C[C@@H](C)O2 ZINC000897611832 735254395 /nfs/dbraw/zinc/25/43/95/735254395.db2.gz XJFXHIAHNLEEKZ-YRUZYCQGSA-N 0 0 363.435 2.721 20 10 FFCDRN CCCOc1ccc(S(=O)(=O)NCc2cccc(OC)c2O)cc1 ZINC000751310028 735863296 /nfs/dbraw/zinc/86/32/96/735863296.db2.gz VUUBLNOROZQNJX-UHFFFAOYSA-N 0 0 351.424 2.668 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000751316748 735863307 /nfs/dbraw/zinc/86/33/07/735863307.db2.gz ARPXGXHOMMADQB-NEPJUHHUSA-N 0 0 363.435 2.764 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCCSC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000788363762 739237694 /nfs/dbraw/zinc/23/76/94/739237694.db2.gz KGUDNZWABTWGDY-ZDUSSCGKSA-N 0 0 351.516 2.578 20 10 FFCDRN CC[C@H](C)OCC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000751647091 735902782 /nfs/dbraw/zinc/90/27/82/735902782.db2.gz XHTNZXSYPLYJBH-KKUMJFAQSA-N 0 0 352.450 2.871 20 10 FFCDRN CS[C@H](C)CNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000752149904 735961055 /nfs/dbraw/zinc/96/10/55/735961055.db2.gz OVAXNYQYZHUWPD-HZSPNIEDSA-N 0 0 369.506 2.990 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2cn(C)nc2Br)c1 ZINC000903188493 736051738 /nfs/dbraw/zinc/05/17/38/736051738.db2.gz RSWLZFHKWHKFKQ-SECBINFHSA-N 0 0 368.231 2.526 20 10 FFCDRN C[C@H]([NH2+]CCN1CCCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000903228459 736060823 /nfs/dbraw/zinc/06/08/23/736060823.db2.gz QZDZKZWBSNFASR-NSHDSACASA-N 0 0 361.255 2.667 20 10 FFCDRN Cc1ccccc1CCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000753449756 736069176 /nfs/dbraw/zinc/06/91/76/736069176.db2.gz LPBPVTKZAJQFDX-UHFFFAOYSA-N 0 0 363.435 2.862 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSc1ccc([N+](=O)[O-])cc1 ZINC000753642433 736083436 /nfs/dbraw/zinc/08/34/36/736083436.db2.gz DKVNXNNGDXQPLV-LLVKDONJSA-N 0 0 362.407 2.846 20 10 FFCDRN O=C([O-])N[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2O)C12CCC2 ZINC000904238820 736237243 /nfs/dbraw/zinc/23/72/43/736237243.db2.gz FPCSXZJCKREKKG-QWHCGFSZSA-N 0 0 355.232 2.823 20 10 FFCDRN Nc1ccc(NC(=O)NCC2(OCCO)CCC(C(F)F)CC2)cc1 ZINC000904501186 736256176 /nfs/dbraw/zinc/25/61/76/736256176.db2.gz SWABYUPUZOSHSC-UHFFFAOYSA-N 0 0 357.401 2.593 20 10 FFCDRN COC[C@H](CCO)NC(=O)Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000756002420 736298261 /nfs/dbraw/zinc/29/82/61/736298261.db2.gz YXYJORMYSQXBCP-KRWDZBQOSA-N 0 0 364.873 2.804 20 10 FFCDRN CCCc1cnc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)s1 ZINC000756175117 736312808 /nfs/dbraw/zinc/31/28/08/736312808.db2.gz IXVIEGNAQMXJJS-LBPRGKRZSA-N 0 0 360.483 2.978 20 10 FFCDRN CC(=O)N1CCC([NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])CC1 ZINC000756362102 736325480 /nfs/dbraw/zinc/32/54/80/736325480.db2.gz MKTLBJDRKYWEFZ-VIFPVBQESA-N 0 0 359.239 2.955 20 10 FFCDRN C[C@H]([NH2+]CCCN(C)S(C)(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000756405164 736328564 /nfs/dbraw/zinc/32/85/64/736328564.db2.gz XNQXIKAGBFARFC-VIFPVBQESA-N 0 0 355.287 2.631 20 10 FFCDRN C[C@H]([NH2+]CCOC[C@H]1CCOC1)c1cc(Br)cc(F)c1[O-] ZINC000756563242 736343462 /nfs/dbraw/zinc/34/34/62/736343462.db2.gz MKYCPEDGMGJEJP-QWRGUYRKSA-N 0 0 362.239 2.998 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)c1cc(Br)c(F)cc1[O-] ZINC000756738491 736357155 /nfs/dbraw/zinc/35/71/55/736357155.db2.gz QFSOMTNTRXHAMD-RFAUZJTJSA-N 0 0 362.239 2.732 20 10 FFCDRN COc1cc(OC)cc(N2CC[C@@H](CNC(=O)C3=CC(=O)CS3)C2)c1 ZINC000757426136 736405395 /nfs/dbraw/zinc/40/53/95/736405395.db2.gz XUGRLFMEKIIIGH-LBPRGKRZSA-N 0 0 362.451 2.727 20 10 FFCDRN COC(=O)c1cc(S(=O)(=O)Nc2ccc(O)cc2C)ccc1Cl ZINC000757477424 736406955 /nfs/dbraw/zinc/40/69/55/736406955.db2.gz OUWMBJBJXRHRSH-UHFFFAOYSA-N 0 0 355.799 2.941 20 10 FFCDRN O=C(C1=CC(=O)CS1)N(CCO)Cc1cc(Br)cs1 ZINC000757672691 736418319 /nfs/dbraw/zinc/41/83/19/736418319.db2.gz SLCLPRBDWRGEEZ-UHFFFAOYSA-N 0 0 362.270 2.912 20 10 FFCDRN COC(=O)[C@H]1CN(C(=O)/C=C/c2ccc(Cl)nc2)c2ccccc2O1 ZINC000758252840 736469178 /nfs/dbraw/zinc/46/91/78/736469178.db2.gz URRQPQYHHZVIGD-LOWQCSRCSA-N 0 0 358.781 2.715 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000758573611 736502507 /nfs/dbraw/zinc/50/25/07/736502507.db2.gz WHQXCFYTORAMKT-UHFFFAOYSA-N 0 0 363.259 2.703 20 10 FFCDRN O=C(NCCCSc1nccs1)NCCN1Cc2ccccc2C1 ZINC000759576301 736578206 /nfs/dbraw/zinc/57/82/06/736578206.db2.gz SHBQQGKQCLBVEM-UHFFFAOYSA-N 0 0 362.524 2.940 20 10 FFCDRN CN(Cc1nnc2ccccn21)C(=O)NCCCSc1nccs1 ZINC000759590969 736579154 /nfs/dbraw/zinc/57/91/54/736579154.db2.gz OEDZNPLYQZBWNK-UHFFFAOYSA-N 0 0 362.484 2.510 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000759590356 736579268 /nfs/dbraw/zinc/57/92/68/736579268.db2.gz JJCNUXFNJHQPJZ-LBPRGKRZSA-N 0 0 351.501 2.938 20 10 FFCDRN CC(C)C[C@H](NCC(F)(F)F)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000907271806 736604491 /nfs/dbraw/zinc/60/44/91/736604491.db2.gz CKNABEBECSYGSV-YPMHNXCESA-N 0 0 362.392 2.712 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CSC(c2ccccc2)=N1 ZINC000907274127 736604888 /nfs/dbraw/zinc/60/48/88/736604888.db2.gz PKLMDHMHGKXTJV-DOMZBBRYSA-N 0 0 356.447 2.707 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCn2cc(Br)cn2)c1 ZINC000761967019 736777684 /nfs/dbraw/zinc/77/76/84/736777684.db2.gz DAKHIBBKBUOELE-SNVBAGLBSA-N 0 0 368.231 2.627 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]C[C@H](O)c2cccc(Br)c2)c1 ZINC000800288799 740508500 /nfs/dbraw/zinc/50/85/00/740508500.db2.gz CKCCVKNGRZCJNO-HNNXBMFYSA-N 0 0 367.199 2.886 20 10 FFCDRN CCC1(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCCCC1 ZINC000762767263 736865613 /nfs/dbraw/zinc/86/56/13/736865613.db2.gz HFZGLELFULEWKI-UHFFFAOYSA-N 0 0 354.472 2.854 20 10 FFCDRN Cc1sc(Cl)nc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000762843701 736874390 /nfs/dbraw/zinc/87/43/90/736874390.db2.gz KLOGXMHILPGZEY-UHFFFAOYSA-N 0 0 351.859 2.872 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1scnc1C1CC1 ZINC000763137226 736905333 /nfs/dbraw/zinc/90/53/33/736905333.db2.gz PSBATBJGBNNPHZ-UHFFFAOYSA-N 0 0 358.467 2.650 20 10 FFCDRN COCc1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)o1 ZINC000764413282 737015878 /nfs/dbraw/zinc/01/58/78/737015878.db2.gz ZDWFZLUKLGDTPV-ZSOIEALJSA-N 0 0 374.443 2.931 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(O)cc1O)N(C(=O)OC(C)(C)C)C1CC1 ZINC000910945747 737148317 /nfs/dbraw/zinc/14/83/17/737148317.db2.gz XHUVDSQHFINACS-NSHDSACASA-N 0 0 350.415 2.502 20 10 FFCDRN C[S@](=O)c1cccc(C(=O)NCc2cccc(Br)c2O)c1 ZINC000765727376 737149543 /nfs/dbraw/zinc/14/95/43/737149543.db2.gz NBCKOWMJNFVBMI-NRFANRHFSA-N 0 0 368.252 2.822 20 10 FFCDRN Cc1cc(C)c(C(=O)NCc2cccc(Br)c2O)c(=O)[nH]1 ZINC000765736056 737151225 /nfs/dbraw/zinc/15/12/25/737151225.db2.gz KHYMFYXBRVHTIQ-UHFFFAOYSA-N 0 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0 0 351.424 2.505 20 10 FFCDRN CCOc1cccc(CNc2cc(S(=O)(=O)N(C)C)ccc2C)c1O ZINC000796360291 740135736 /nfs/dbraw/zinc/13/57/36/740135736.db2.gz AWDIMWVCCOHIII-UHFFFAOYSA-N 0 0 364.467 2.962 20 10 FFCDRN CC[C@H]([NH2+]C1CCN(CCC(=O)N(C)C)CC1)c1ccc(F)cc1[O-] ZINC000796758888 740180408 /nfs/dbraw/zinc/18/04/08/740180408.db2.gz HGDRHFZHUSIGNQ-KRWDZBQOSA-N 0 0 351.466 2.515 20 10 FFCDRN COc1ccc(CNC(=O)Nc2cccnc2OCC(F)F)c(O)c1 ZINC000797638638 740260814 /nfs/dbraw/zinc/26/08/14/740260814.db2.gz IMRANHLSIBMNGR-UHFFFAOYSA-N 0 0 353.325 2.761 20 10 FFCDRN COCCNc1nn(CN(C)Cc2ccc(N(C)C)cc2)c(=S)s1 ZINC000798179426 740310156 /nfs/dbraw/zinc/31/01/56/740310156.db2.gz ZURPSBPKHADINW-UHFFFAOYSA-N 0 0 367.544 2.888 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cncc(OC)c2)cc1 ZINC000798426067 740331090 /nfs/dbraw/zinc/33/10/90/740331090.db2.gz TWFQZHPYJPJUMH-UHFFFAOYSA-N 0 0 363.483 2.757 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC1)c1cc(Br)cc(F)c1[O-] ZINC000798937285 740375479 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C[C@@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccsc1 ZINC000803688127 740818338 /nfs/dbraw/zinc/81/83/38/740818338.db2.gz VLLFEZCYLPWZNX-CYBMUJFWSA-N 0 0 357.479 2.624 20 10 FFCDRN Nc1ccc(C(=O)NCc2cc(Br)ccc2O)cc1[N+](=O)[O-] ZINC000804734494 740900645 /nfs/dbraw/zinc/90/06/45/740900645.db2.gz NNBPHWPTKFVDIH-UHFFFAOYSA-N 0 0 366.171 2.575 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cc(=O)c2ccccc2[nH]1 ZINC000804734028 740900744 /nfs/dbraw/zinc/90/07/44/740900744.db2.gz ACDQKBSSVZDVKW-UHFFFAOYSA-N 0 0 373.206 2.926 20 10 FFCDRN O=C(CN1CCCCCCC1=O)NCc1cc(Br)ccc1O ZINC000804737034 740901214 /nfs/dbraw/zinc/90/12/14/740901214.db2.gz BBEADSPZIYIUCH-UHFFFAOYSA-N 0 0 369.259 2.564 20 10 FFCDRN C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1cc(Br)ccc1O ZINC000804737992 740901401 /nfs/dbraw/zinc/90/14/01/740901401.db2.gz YDCCCAQPBKPMHD-BXUZGUMPSA-N 0 0 372.259 2.745 20 10 FFCDRN CCNC(=O)c1ccc(NCc2cc(Br)ccc2O)nc1 ZINC000804826781 740908291 /nfs/dbraw/zinc/90/82/91/740908291.db2.gz CMMWQQUHMXIYTK-UHFFFAOYSA-N 0 0 350.216 2.912 20 10 FFCDRN CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@@H](C)S1(=O)=O ZINC000805772709 741006577 /nfs/dbraw/zinc/00/65/77/741006577.db2.gz JHHUGLWIWHEZHF-YGRLFVJLSA-N 0 0 359.875 2.646 20 10 FFCDRN CC[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806134792 741042317 /nfs/dbraw/zinc/04/23/17/741042317.db2.gz NZCRFWOMZHDPKF-AWEZNQCLSA-N 0 0 360.285 2.514 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)C(=O)NCCCSc2nccs2)C[C@@H](C)C1 ZINC000806277275 741049433 /nfs/dbraw/zinc/04/94/33/741049433.db2.gz WDIGXSXDCXABKB-ITGUQSILSA-N 0 0 355.529 2.682 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N1CC[C@H]1c1ccccc1 ZINC000806276041 741049438 /nfs/dbraw/zinc/04/94/38/741049438.db2.gz FIAXBXSXAQWTEX-AWEZNQCLSA-N 0 0 361.492 2.715 20 10 FFCDRN C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C[C@@H]1C ZINC000806278086 741049814 /nfs/dbraw/zinc/04/98/14/741049814.db2.gz LWEYGHWFSQTIKX-AGIUHOORSA-N 0 0 355.529 2.682 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)Nc1nc2ccccn2n1 ZINC000806400164 741057006 /nfs/dbraw/zinc/05/70/06/741057006.db2.gz JHGKLOCLRYYENO-UHFFFAOYSA-N 0 0 362.187 2.519 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)c1cccn1C ZINC000806967872 741099078 /nfs/dbraw/zinc/09/90/78/741099078.db2.gz QTVKKJMZDSHKER-UHFFFAOYSA-N 0 0 365.227 2.725 20 10 FFCDRN CC[C@H]1CN(Cc2cc(C(C)(C)C)cc(O)c2O)C[C@@H](C)S1(=O)=O ZINC000808193725 741197510 /nfs/dbraw/zinc/19/75/10/741197510.db2.gz MFCQEOXOLWSMTH-DOMZBBRYSA-N 0 0 355.500 2.793 20 10 FFCDRN CCN(CC)c1ccc(CNc2ccc(OC)c(S(N)(=O)=O)c2)cc1 ZINC000808439782 741226206 /nfs/dbraw/zinc/22/62/06/741226206.db2.gz OXMGLJLWAQAJGN-UHFFFAOYSA-N 0 0 363.483 2.801 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl ZINC000808491452 741229730 /nfs/dbraw/zinc/22/97/30/741229730.db2.gz ZCNYXDGIZGZSPX-UHFFFAOYSA-N 0 0 369.204 2.862 20 10 FFCDRN CS[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000808758899 741258286 /nfs/dbraw/zinc/25/82/86/741258286.db2.gz JGGZLVGHVCSWLA-INIZCTEOSA-N 0 0 365.543 2.605 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCCS1 ZINC000809170626 741290106 /nfs/dbraw/zinc/29/01/06/741290106.db2.gz QDBKNUBRDIQDKP-MRXNPFEDSA-N 0 0 364.511 2.923 20 10 FFCDRN COC(=O)c1cc(C[NH2+]Cc2cccc(Br)c2[O-])cn1C ZINC000809654636 741328566 /nfs/dbraw/zinc/32/85/66/741328566.db2.gz JZYXCDDCWYVXPI-UHFFFAOYSA-N 0 0 353.216 2.570 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2nc([C@H](C)OC)ns2)c1 ZINC000809925840 741362515 /nfs/dbraw/zinc/36/25/15/741362515.db2.gz QOSMSKZUFZJUNW-IUCAKERBSA-N 0 0 352.416 2.842 20 10 FFCDRN COCc1cc(Cl)cc(S(=O)(=O)NCc2cc(OC)ccc2O)c1 ZINC000810050693 741377349 /nfs/dbraw/zinc/37/73/49/741377349.db2.gz LPWTVBZFYGKNSK-UHFFFAOYSA-N 0 0 371.842 2.679 20 10 FFCDRN COC(=O)Cc1cccc(S(=O)(=O)Nc2ccc(O)cc2SC)c1 ZINC000811700668 741548843 /nfs/dbraw/zinc/54/88/43/741548843.db2.gz OPQQPXRGXPHBRG-UHFFFAOYSA-N 0 0 367.448 2.630 20 10 FFCDRN CCCc1nsc(NCCN2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000812456763 741621923 /nfs/dbraw/zinc/62/19/23/741621923.db2.gz QLJJEZFCIDNZNI-UHFFFAOYSA-N 0 0 361.515 2.733 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H](OC)C3)CC2)cc1F ZINC000814411204 741823313 /nfs/dbraw/zinc/82/33/13/741823313.db2.gz QXDVVTYGNISOBA-ZBFHGGJFSA-N 0 0 350.434 2.688 20 10 FFCDRN CN(C/C=C/C(=O)NCc1ccc(N2CCCC2)cc1)CC(F)(F)F ZINC000814492159 741836515 /nfs/dbraw/zinc/83/65/15/741836515.db2.gz FRHQSWSCVDUXRC-SNAWJCMRSA-N 0 0 355.404 2.953 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)c1 ZINC000817411793 742139395 /nfs/dbraw/zinc/13/93/95/742139395.db2.gz ZRNDYCXSRGJZOE-HAQNSBGRSA-N 0 0 355.276 2.844 20 10 FFCDRN C[C@H](CN)[NH2+][C@H](C)c1cc(Br)cc(Br)c1[O-] ZINC000817966409 742225009 /nfs/dbraw/zinc/22/50/09/742225009.db2.gz NERPEDXUMWATHY-RNFRBKRXSA-N 0 0 352.070 2.915 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)C[C@@H](CO)C2)cc1F ZINC000817773185 742210721 /nfs/dbraw/zinc/21/07/21/742210721.db2.gz DKRINFSXMZPEBY-GDBMZVCRSA-N 0 0 351.466 2.832 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)NCCCSc1nccs1)[C@H]1CC1(C)C ZINC000817823532 742216169 /nfs/dbraw/zinc/21/61/69/742216169.db2.gz MJFGABNIIZUWCM-VXGBXAGGSA-N 0 0 355.529 2.682 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1O ZINC000817881473 742220612 /nfs/dbraw/zinc/22/06/12/742220612.db2.gz UONFTXXCQGCPKA-UWVGGRQHSA-N 0 0 358.232 2.848 20 10 FFCDRN CC1(C)[C@H](NC(=O)c2csc(Cc3ccc(N)cc3)n2)[C@@H]2CCO[C@@H]21 ZINC000817946546 742223891 /nfs/dbraw/zinc/22/38/91/742223891.db2.gz YWGYIYMVALUNSV-XKQJLSEDSA-N 0 0 357.479 2.859 20 10 FFCDRN O=C(Cc1ccc(-n2cnnc2)cc1)NCCCSc1nccs1 ZINC000819277924 742367318 /nfs/dbraw/zinc/36/73/18/742367318.db2.gz PUKANKFQDVPTOC-UHFFFAOYSA-N 0 0 359.480 2.565 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccn(C(F)F)n3)C2)cc1 ZINC000819585310 742411048 /nfs/dbraw/zinc/41/10/48/742411048.db2.gz DAOLNPSGVLHAPJ-GFCCVEGCSA-N 0 0 350.369 2.543 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ccc([N+](=O)[O-])s3)C2)cc1 ZINC000819581212 742411100 /nfs/dbraw/zinc/41/11/00/742411100.db2.gz VQWFPRPCPBMXGF-LBPRGKRZSA-N 0 0 361.423 2.921 20 10 FFCDRN O=S(=O)(CCOCC1CC1)NCc1ccc(N2CCCCC2)cc1 ZINC000819865285 742437307 /nfs/dbraw/zinc/43/73/07/742437307.db2.gz OAECNQAHKGDMHG-UHFFFAOYSA-N 0 0 352.500 2.523 20 10 FFCDRN O=S(=O)(CCOCC1CC1)N(Cc1ccccc1O)C1CCCC1 ZINC000819875007 742437631 /nfs/dbraw/zinc/43/76/31/742437631.db2.gz CFZCTPGMQWPVGV-UHFFFAOYSA-N 0 0 353.484 2.893 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)CCOCC2CC2)cc1F ZINC000819868402 742437642 /nfs/dbraw/zinc/43/76/42/742437642.db2.gz QLGVRPKFWXZQMN-UHFFFAOYSA-N 0 0 358.479 2.518 20 10 FFCDRN COc1ccc(N2CC[C@H](CNc3ncc(C(N)=O)cc3Cl)C2)cc1 ZINC000819936245 742447059 /nfs/dbraw/zinc/44/70/59/742447059.db2.gz QPEAVRSGURIZBP-GFCCVEGCSA-N 0 0 360.845 2.781 20 10 FFCDRN Cc1cc(C(=O)Nc2nnc3nc[nH]n32)c(C)n1-c1ccc(Cl)cc1 ZINC000819981085 742451861 /nfs/dbraw/zinc/45/18/61/742451861.db2.gz LZCUASZDXLQPND-UHFFFAOYSA-N 0 0 355.789 2.766 20 10 FFCDRN CC(C)(C[NH+]1CCOCC1)C(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000822949228 742808098 /nfs/dbraw/zinc/80/80/98/742808098.db2.gz GCMNGTDKCMVTSC-UHFFFAOYSA-N 0 0 361.269 2.674 20 10 FFCDRN CSC[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823548212 742934824 /nfs/dbraw/zinc/93/48/24/742934824.db2.gz KVBVBECCVHLSAA-KRWDZBQOSA-N 0 0 363.527 2.685 20 10 FFCDRN C[C@H](NC(=O)Cc1ccncc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000823834637 742987931 /nfs/dbraw/zinc/98/79/31/742987931.db2.gz LKNDXZVZJFATBO-AWEZNQCLSA-N 0 0 359.857 2.992 20 10 FFCDRN CN(C)S(=O)(=O)c1cccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC000824738353 743139658 /nfs/dbraw/zinc/13/96/58/743139658.db2.gz LYCAXAKTNGSLBZ-UHFFFAOYSA-N 0 0 372.849 2.725 20 10 FFCDRN CN(CC(=O)NCc1cccs1)Cc1ccc(Br)cc1O ZINC000824806863 743152411 /nfs/dbraw/zinc/15/24/11/743152411.db2.gz AFSFMQHPBUYHCA-UHFFFAOYSA-N 0 0 369.284 2.964 20 10 FFCDRN COc1cc(Br)cc(CN(CC(F)F)C[C@@H](C)O)c1O ZINC000825098603 743209582 /nfs/dbraw/zinc/20/95/82/743209582.db2.gz LNHLAKHKDUQHFA-MRVPVSSYSA-N 0 0 354.191 2.611 20 10 FFCDRN CCN(CC)c1ccc(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)cc1F ZINC000825201507 743227270 /nfs/dbraw/zinc/22/72/70/743227270.db2.gz LMRXPWSBOJEMLA-QZTJIDSGSA-N 0 0 354.491 2.823 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C[C@@H](CNC(C)=O)CC(C)C)c1 ZINC000825736571 743320641 /nfs/dbraw/zinc/32/06/41/743320641.db2.gz CPMGDXLYPJFTKY-HIFRSBDPSA-N 0 0 350.459 2.767 20 10 FFCDRN C[C@H]1SCC[C@@H]1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000825831808 743332505 /nfs/dbraw/zinc/33/25/05/743332505.db2.gz CEZGWYOOHQBYNM-KDOFPFPSSA-N 0 0 363.527 2.589 20 10 FFCDRN O=[N+]([O-])c1cc(CN2CC[C@H](O)C(F)(F)C2)ccc1N1CCCCC1 ZINC000826957731 743478358 /nfs/dbraw/zinc/47/83/58/743478358.db2.gz FMRKIWIRFKZZPA-INIZCTEOSA-N 0 0 355.385 2.787 20 10 FFCDRN CC(C)(C)OC(=O)N1CC2(C1)C[C@H]([NH2+]Cc1cccc(Cl)c1[O-])CO2 ZINC000827065161 743497729 /nfs/dbraw/zinc/49/77/29/743497729.db2.gz IEYMYZAFSKGRHB-ZDUSSCGKSA-N 0 0 368.861 2.914 20 10 FFCDRN CC(C)Cn1cc(C(=O)NCCc2ccc(O)c(O)c2)c(C(F)F)n1 ZINC000827084939 743502048 /nfs/dbraw/zinc/50/20/48/743502048.db2.gz GXEAFZDTLBBWAV-UHFFFAOYSA-N 0 0 353.369 2.860 20 10 FFCDRN Cc1cc(Br)cc(C)c1NC(=O)NCCCc1ncn(C)n1 ZINC000827702078 744962281 /nfs/dbraw/zinc/96/22/81/744962281.db2.gz ZZOZUPCBIJHLHL-UHFFFAOYSA-N 0 0 366.263 2.949 20 10 FFCDRN CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H]([N-]C(=O)C(F)(F)F)C2)c1 ZINC000827851356 744990738 /nfs/dbraw/zinc/99/07/38/744990738.db2.gz SZPBPWZENTZJEY-RISCZKNCSA-N 0 0 360.376 2.680 20 10 FFCDRN C[N@H+](Cc1cc(Br)cc(Br)c1[O-])C1(CO)CC1 ZINC000827903467 744999092 /nfs/dbraw/zinc/99/90/92/744999092.db2.gz HZHCVIRXZNCUKX-UHFFFAOYSA-N 0 0 365.065 2.874 20 10 FFCDRN Cc1cc(CN2CCS(=O)(=O)C(C)(C)C2)ccc1N1CCCCC1 ZINC000828035737 745019325 /nfs/dbraw/zinc/01/93/25/745019325.db2.gz AGOZYPMNZOYJAP-UHFFFAOYSA-N 0 0 350.528 2.994 20 10 FFCDRN CCc1ccc(CNC(=O)CSc2ncc(C(=O)OC)s2)s1 ZINC000829684716 745244967 /nfs/dbraw/zinc/24/49/67/745244967.db2.gz ZHWLBDVLDCFFGF-UHFFFAOYSA-N 0 0 356.494 2.962 20 10 FFCDRN COc1ccc(OCCCS(=O)(=O)Nc2ccc(O)c(F)c2F)cc1 ZINC000830185161 745320298 /nfs/dbraw/zinc/32/02/98/745320298.db2.gz VROXXSYBRXTBEF-UHFFFAOYSA-N 0 0 373.377 2.890 20 10 FFCDRN O=S(=O)(C[C@H]1CCCC1(F)F)NCCCSc1nccs1 ZINC000830505013 745372320 /nfs/dbraw/zinc/37/23/20/745372320.db2.gz ZMRIMEQCCSQBEX-SNVBAGLBSA-N 0 0 356.485 2.980 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@@H](OC)c2ccccc2)c1 ZINC000830623172 745394307 /nfs/dbraw/zinc/39/43/07/745394307.db2.gz BFHXTBHSPZNIPF-SCLBCKFNSA-N 0 0 365.451 2.769 20 10 FFCDRN CC1(S(=O)(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)CC1 ZINC000830720062 745416429 /nfs/dbraw/zinc/41/64/29/745416429.db2.gz MHRGALZFAUDDFT-GFCCVEGCSA-N 0 0 360.426 2.729 20 10 FFCDRN CCOC(=O)Cc1cnc(NCc2ccc(N3CCOCC3)cc2)s1 ZINC000834482628 745847461 /nfs/dbraw/zinc/84/74/61/745847461.db2.gz LSIXXUWJUFAJEJ-UHFFFAOYSA-N 0 0 361.467 2.697 20 10 FFCDRN C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)c1cc(F)cc(F)c1[O-] ZINC000834840304 745912545 /nfs/dbraw/zinc/91/25/45/745912545.db2.gz IVINVHVIFCXUJT-SECBINFHSA-N 0 0 373.197 2.945 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1scnc1C(C)C ZINC000835130817 745956208 /nfs/dbraw/zinc/95/62/08/745956208.db2.gz JOZAFXFMMDGTCS-UHFFFAOYSA-N 0 0 360.483 2.896 20 10 FFCDRN CC[C@](C)(CNC(=O)NCc1ccc(N2CCSCC2)cc1)OC ZINC000836241735 746172763 /nfs/dbraw/zinc/17/27/63/746172763.db2.gz HUKPCEJFESVEEP-GOSISDBHSA-N 0 0 351.516 2.854 20 10 FFCDRN CC(C)[C@@H](C(=O)NCc1ccc(N)cc1)S(=O)(=O)C1CCCCC1 ZINC000837303064 746418715 /nfs/dbraw/zinc/41/87/15/746418715.db2.gz SFLGEEHPIXWFDG-KRWDZBQOSA-N 0 0 352.500 2.657 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@](O)(CO)C2)c(C)n1-c1ccc(Cl)cc1 ZINC000837779912 746516634 /nfs/dbraw/zinc/51/66/34/746516634.db2.gz FWKZXDZZMVZBNO-IBGZPJMESA-N 0 0 362.857 2.707 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@@H]1CCOC[C@H]1OC ZINC000838656837 746687153 /nfs/dbraw/zinc/68/71/53/746687153.db2.gz BSZFDPACBFWQDP-MAUKXSAKSA-N 0 0 350.459 2.755 20 10 FFCDRN CCC1(C)CN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838738337 746703724 /nfs/dbraw/zinc/70/37/24/746703724.db2.gz AYPWBHHIXCVWEC-UHFFFAOYSA-N 0 0 353.413 2.743 20 10 FFCDRN CO[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2O)C12CCC2 ZINC000838766279 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Cc1cc(C(=O)NCCS(=O)(=O)C2CC2)c(C)n1-c1ccc(F)cc1 ZINC000839855948 746943943 /nfs/dbraw/zinc/94/39/43/746943943.db2.gz MKPHNJCJDJENRE-UHFFFAOYSA-N 0 0 364.442 2.540 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccnn1CC(F)F ZINC000839922210 746961323 /nfs/dbraw/zinc/96/13/23/746961323.db2.gz RNPWAGHCRPJTML-ZDUSSCGKSA-N 0 0 350.413 2.884 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c(O)c(C(C)(C)C)c1 ZINC000840146556 747018935 /nfs/dbraw/zinc/01/89/35/747018935.db2.gz QLWVTLQTPAHVSR-SJORKVTESA-N 0 0 367.511 2.850 20 10 FFCDRN O=C(NCCCSc1nccs1)NC[C@H](CO)c1ccc(F)cc1 ZINC000840325384 747065524 /nfs/dbraw/zinc/06/55/24/747065524.db2.gz VETUHLZVHCYGAQ-CYBMUJFWSA-N 0 0 369.487 2.840 20 10 FFCDRN COC1([C@@H](C)NC(=O)NCc2cc(Br)ccc2O)CCC1 ZINC000840458838 747098766 /nfs/dbraw/zinc/09/87/66/747098766.db2.gz ZZDUMCJPHSBSHV-SNVBAGLBSA-N 0 0 357.248 2.912 20 10 FFCDRN C[C@H](NC(=O)NCc1cccc(Br)c1O)c1csnn1 ZINC000840461860 747100317 /nfs/dbraw/zinc/10/03/17/747100317.db2.gz 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CCC[C@@H](NCc1cc(F)c(N2CCOCC2)c(F)c1)C(=O)OCC ZINC000842161765 747537079 /nfs/dbraw/zinc/53/70/79/747537079.db2.gz RETPUTKCODTZBY-MRXNPFEDSA-N 0 0 356.413 2.623 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)CN(C)[C@H]3CCSC3)C2)cc1 ZINC000842874228 747711614 /nfs/dbraw/zinc/71/16/14/747711614.db2.gz ATPNRHKRUBNRLT-RDJZCZTQSA-N 0 0 364.511 2.502 20 10 FFCDRN COc1cccc(CNC(=O)C[C@@H](C)n2cc(Br)cn2)c1O ZINC000843832458 747907005 /nfs/dbraw/zinc/90/70/05/747907005.db2.gz NEAYJTZXTXGDFX-SNVBAGLBSA-N 0 0 368.231 2.627 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 ZINC000843880481 747918915 /nfs/dbraw/zinc/91/89/15/747918915.db2.gz PZWKFLXHRPKKLY-KXBFYZLASA-N 0 0 362.495 2.975 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)c(O)c1O ZINC000843935412 747936534 /nfs/dbraw/zinc/93/65/34/747936534.db2.gz NBKUJDWTGJGSNC-RYUDHWBXSA-N 0 0 352.431 2.828 20 10 FFCDRN COc1ccc(N(C)CC[N@H+](C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000844401388 748021850 /nfs/dbraw/zinc/02/18/50/748021850.db2.gz 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748161564 /nfs/dbraw/zinc/16/15/64/748161564.db2.gz QPVWLHBIMNGKGV-UHFFFAOYSA-N 0 0 362.499 2.992 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)N[C@H]1CCN(C2CCCCC2)C1=O ZINC000845060747 748171572 /nfs/dbraw/zinc/17/15/72/748171572.db2.gz AGGNJUMQPWNXTC-HNNXBMFYSA-N 0 0 365.861 2.778 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)n1 ZINC000845269489 748216520 /nfs/dbraw/zinc/21/65/20/748216520.db2.gz LSWCNHJPKHSZBC-UHFFFAOYSA-N 0 0 354.284 2.514 20 10 FFCDRN Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)NCc1cc(Cl)ccc1O ZINC000845767250 748322535 /nfs/dbraw/zinc/32/25/35/748322535.db2.gz IJXUGZWECKDSQS-CQSZACIVSA-N 0 0 361.829 2.621 20 10 FFCDRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)NCc1cc(Cl)ccc1O ZINC000845996200 748378924 /nfs/dbraw/zinc/37/89/24/748378924.db2.gz MZDGBOOUHVMPOP-UHFFFAOYSA-N 0 0 371.890 2.993 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)c1 ZINC000846073533 748396845 /nfs/dbraw/zinc/39/68/45/748396845.db2.gz XOBYXTIFPLFESE-LLVKDONJSA-N 0 0 353.260 2.564 20 10 FFCDRN CCOc1ccc(CN[C@H](C(=O)OC)[C@H]2CCC[C@@H](OC)C2)c(O)c1 ZINC000846107502 748409178 /nfs/dbraw/zinc/40/91/78/748409178.db2.gz JLUYQLLGAHXHNM-JOQOYGCGSA-N 0 0 351.443 2.627 20 10 FFCDRN CC[C@](C)(CO)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000847532978 748721366 /nfs/dbraw/zinc/72/13/66/748721366.db2.gz UFXNZWROYMXBBK-SCLBCKFNSA-N 0 0 356.413 2.782 20 10 FFCDRN CC(C)c1scnc1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000848095184 748842315 /nfs/dbraw/zinc/84/23/15/748842315.db2.gz OEDDFIOIFGKVBS-UHFFFAOYSA-N 0 0 355.441 2.596 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000848927566 749036600 /nfs/dbraw/zinc/03/66/00/749036600.db2.gz IEBNXFGPOHGHGK-ZDUSSCGKSA-N 0 0 354.403 2.765 20 10 FFCDRN COc1ccc(N2CC[C@@H](NS(=O)(=O)Cc3ccccc3C)C2)cc1 ZINC000849415904 749142809 /nfs/dbraw/zinc/14/28/09/749142809.db2.gz HOVFDEJVLZFPAI-QGZVFWFLSA-N 0 0 360.479 2.702 20 10 FFCDRN CO[C@@H](COC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCCC1 ZINC000849712809 749208929 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COc1ccc(N2CC[C@H](NC(=O)N3CCC(F)(F)[C@@H](C)C3)C2)cc1 ZINC000852449017 749861329 /nfs/dbraw/zinc/86/13/29/749861329.db2.gz POTFFBSYLPXHDT-KBPBESRZSA-N 0 0 353.413 2.961 20 10 FFCDRN CCC(=O)c1ccc(N(C)Cc2ccccc2O)c(S(=O)(=O)NC)c1 ZINC000853462595 750064930 /nfs/dbraw/zinc/06/49/30/750064930.db2.gz ZYFOBDHTXWPNAB-UHFFFAOYSA-N 0 0 362.451 2.529 20 10 FFCDRN O=C1CCCN1c1cnc(NCc2cccc(Br)c2O)cn1 ZINC000853538982 750087904 /nfs/dbraw/zinc/08/79/04/750087904.db2.gz YYXYACWQXIYEFE-UHFFFAOYSA-N 0 0 363.215 2.684 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3conc3C(F)(F)F)CC2)cc1 ZINC000854198693 750260372 /nfs/dbraw/zinc/26/03/72/750260372.db2.gz OZUBPDWFQBSTGQ-UHFFFAOYSA-N 0 0 355.316 2.664 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3cnnn3C)cc2Cl)C1 ZINC000854343749 750288151 /nfs/dbraw/zinc/28/81/51/750288151.db2.gz KHAQIZSICJYKGK-CYBMUJFWSA-N 0 0 361.877 2.564 20 10 FFCDRN O=C(Cn1cc(C2CC2)cn1)NCc1cc(Br)ccc1O ZINC000854442450 750308985 /nfs/dbraw/zinc/30/89/85/750308985.db2.gz SDSQXODZCCTURE-UHFFFAOYSA-N 0 0 350.216 2.545 20 10 FFCDRN O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)N1CCOC1 ZINC000854806441 750372149 /nfs/dbraw/zinc/37/21/49/750372149.db2.gz NHOKCTUMGJUVPX-FMIVXFBMSA-N 0 0 368.505 2.546 20 10 FFCDRN CCCN(CCC)S(=O)(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000068462462 845520656 /nfs/dbraw/zinc/52/06/56/845520656.db2.gz JRFMWQXQARSNSP-INIZCTEOSA-N 0 0 369.531 2.541 20 10 FFCDRN COc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)cc2c1OCCO2 ZINC000211998333 845750992 /nfs/dbraw/zinc/75/09/92/845750992.db2.gz MIMMHTFVKSXOKY-RVDMUPIBSA-N 0 0 360.435 2.923 20 10 FFCDRN Cc1cc(Cl)c([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1O ZINC000391379259 845847059 /nfs/dbraw/zinc/84/70/59/845847059.db2.gz GCLKONRIJYHFQH-UHFFFAOYSA-N 0 0 356.787 2.741 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1ccc(C(N)=O)cc1 ZINC000840256187 970851627 /nfs/dbraw/zinc/85/16/27/970851627.db2.gz MRHUFLWDSYBNED-HNNXBMFYSA-N 0 0 368.481 2.590 20 10 FFCDRN O=C(CCC[NH2+]Cc1cc(F)ccc1O)N1CCN(c2ccccc2)CC1 ZINC000180923784 970871043 /nfs/dbraw/zinc/87/10/43/970871043.db2.gz JSMYVDWLRPFNIA-UHFFFAOYSA-N 0 0 371.456 2.750 20 10 FFCDRN CCOC(=O)[C@@](C)(NCc1cc(OC)c(OC)cc1O)c1ccccc1 ZINC000895893215 971048678 /nfs/dbraw/zinc/04/86/78/971048678.db2.gz CRPOGKWIPZOJTI-FQEVSTJZSA-N 0 0 359.422 2.978 20 10 FFCDRN O=[N+]([O-])c1cnc(NCc2cc(F)c(N3CCOCC3)c(F)c2)c(F)c1 ZINC000840326334 971082901 /nfs/dbraw/zinc/08/29/01/971082901.db2.gz RJVQLTUDRHLYNH-UHFFFAOYSA-N 0 0 368.315 2.856 20 10 FFCDRN COc1ccc(-n2ccc(C(=O)N[C@H](C)Cc3ccc(O)c(O)c3)n2)cc1 ZINC000183467634 971124142 /nfs/dbraw/zinc/12/41/42/971124142.db2.gz REOHRNMWYHKUDX-CYBMUJFWSA-N 0 0 367.405 2.653 20 10 FFCDRN CCOC(=O)[C@@](C)(NCc1ccc(OC)c(OC)c1O)c1ccccc1 ZINC000896070152 971205551 /nfs/dbraw/zinc/20/55/51/971205551.db2.gz PZCWTNZTNYXTCT-FQEVSTJZSA-N 0 0 359.422 2.978 20 10 FFCDRN CN(C(=O)/C=C/c1cncc(O)c1)c1ccc(C(=O)NC(C)(C)C)cc1 ZINC000840496961 971393764 /nfs/dbraw/zinc/39/37/64/971393764.db2.gz DLYXAIRPBMIHKV-BJMVGYQFSA-N 0 0 353.422 2.992 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1nc(C(F)(F)F)no1 ZINC000896411560 971477019 /nfs/dbraw/zinc/47/70/19/971477019.db2.gz IMOOCMYJVFVAFU-UHFFFAOYSA-N 0 0 371.363 2.886 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@]12CCN(C(=O)c1cccc(O)c1O)C2 ZINC000298172755 971726463 /nfs/dbraw/zinc/72/64/63/971726463.db2.gz CZKMGVLHONBRPL-IBGZPJMESA-N 0 0 362.426 2.713 20 10 FFCDRN CNC(=O)[C@@H]1CCCN1CC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000085788022 971863931 /nfs/dbraw/zinc/86/39/31/971863931.db2.gz VASVGCCAJJUITE-SFHVURJKSA-N 0 0 357.429 2.626 20 10 FFCDRN CC(C)Oc1ccc(N(C)CC(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000759914165 971957083 /nfs/dbraw/zinc/95/70/83/971957083.db2.gz IVPHADZTYUPKLX-GOSISDBHSA-N 0 0 370.449 2.866 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)Nc2ccccc2C(=O)[O-])[NH+](C)C)cc1 ZINC001593708832 954167724 /nfs/dbraw/zinc/16/77/24/954167724.db2.gz FQUBDSHVFFEMJB-SFHVURJKSA-N 0 0 370.453 2.875 20 10 FFCDRN N=c1ccc(/N=N/c2ccccc2)c(N)n1-c1cccc(S(N)(=O)=O)c1 ZINC001174240314 1013130780 /nfs/dbraw/zinc/13/07/80/1013130780.db2.gz QEFABFVRIZQRIR-QNUODCBWSA-N 0 0 368.422 2.602 20 10 FFCDRN Nc1ccc(N(c2ccc(N)cc2)c2cccc(S(N)(=O)=O)c2)cc1 ZINC001174244156 1013134113 /nfs/dbraw/zinc/13/41/13/1013134113.db2.gz NSUGZCLQVQAQJV-UHFFFAOYSA-N 0 0 354.435 2.968 20 10 FFCDRN CCCCN1C[C@@]2(F)CN(Cc3ccc(Cl)cc3O)C[C@@]2(F)C1=O ZINC001275892607 1013148266 /nfs/dbraw/zinc/14/82/66/1013148266.db2.gz GKQHWXDMSGHSQC-DLBZAZTESA-N 0 0 358.816 2.920 20 10 FFCDRN COc1cc(-n2c(=N)ccc(/N=N/c3ccccc3)c2N)c(OC)nn1 ZINC001174351303 1013163697 /nfs/dbraw/zinc/16/36/97/1013163697.db2.gz NZRJCMROIGPEQO-DFTOXLCKSA-N 0 0 351.370 2.762 20 10 FFCDRN Cc1cc(C(=O)N2CCN(CCO)CC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000097406484 959487958 /nfs/dbraw/zinc/48/79/58/959487958.db2.gz DAEFYWXPIHAHJE-UHFFFAOYSA-N 0 0 369.509 2.968 20 10 FFCDRN CC[C@H](C)C(=O)OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000023519737 960170715 /nfs/dbraw/zinc/17/07/15/960170715.db2.gz OJLGDUNRVPQZPT-LBPRGKRZSA-N 0 0 365.385 2.990 20 10 FFCDRN C[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)c1ccc(N(C)C)cc1 ZINC000773393527 1013274538 /nfs/dbraw/zinc/27/45/38/1013274538.db2.gz XCSVYGZRFDMSOB-DBVUQKKJSA-N 0 0 374.529 2.756 20 10 FFCDRN CC(=O)[C@@H](C)N1CC[C@@]2(CCC[N@H+](Cc3c([O-])cccc3F)CC2)C1=O ZINC001276031238 1013297643 /nfs/dbraw/zinc/29/76/43/1013297643.db2.gz GCOHCKLYEHBMOC-VLIAUNLRSA-N 0 0 362.445 2.713 20 10 FFCDRN CC(C)CN(C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1)C(C)C ZINC000891087744 961927109 /nfs/dbraw/zinc/92/71/09/961927109.db2.gz WFCKYKHBNKLQKN-UHFFFAOYSA-N 0 0 374.529 2.964 20 10 FFCDRN O=C1C[C@]2(CN1C1CCCC1)COCC[N@@H+](Cc1c([O-])cccc1F)C2 ZINC001276032634 1013299203 /nfs/dbraw/zinc/29/92/03/1013299203.db2.gz ZTOQTDBUIVKZMX-FQEVSTJZSA-N 0 0 362.445 2.525 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2ccc(OCC(N)=O)cc2)cc1 ZINC000009932589 1013313080 /nfs/dbraw/zinc/31/30/80/1013313080.db2.gz WMSZTHMPBCUAAQ-UHFFFAOYSA-N 0 0 369.465 2.669 20 10 FFCDRN Cc1ccc(N2C[C@H](C(=O)N3Cc4cccc(O)c4C3)CC2=O)cc1C ZINC001175029732 1013371026 /nfs/dbraw/zinc/37/10/26/1013371026.db2.gz KVCQLHYIMZUNIA-MRXNPFEDSA-N 0 0 350.418 2.904 20 10 FFCDRN CC(=O)[C@H](C)N1CC[C@]2(CCC[N@H+](Cc3cc(F)ccc3O)CC2)C1=O ZINC001276063398 1013389282 /nfs/dbraw/zinc/38/92/82/1013389282.db2.gz FTNWKSZGOWUWEI-VBKZILBWSA-N 0 0 362.445 2.713 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NC[C@H]3CC(C)(C)CO3)CC2)cc1 ZINC000873120966 1013393511 /nfs/dbraw/zinc/39/35/11/1013393511.db2.gz BXQUGQUBZYHXJR-GOSISDBHSA-N 0 0 361.486 2.778 20 10 FFCDRN CCOc1cc(F)ccc1N(C)S(=O)(=O)CCc1ccc(N)cc1 ZINC001175289865 1013429424 /nfs/dbraw/zinc/42/94/24/1013429424.db2.gz HHRMJOJFBPSZAY-UHFFFAOYSA-N 0 0 352.431 2.815 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)NCc1ccc(CN2CCCC2=O)cc1 ZINC000588403964 963573909 /nfs/dbraw/zinc/57/39/09/963573909.db2.gz PDJMCKBACYXZDU-NTMALXAHSA-N 0 0 366.417 2.550 20 10 FFCDRN CC(C)(NC(=O)/C=C\c1ccc(O)c(O)c1)c1cn(-c2ccccc2)nn1 ZINC000588405264 963602336 /nfs/dbraw/zinc/60/23/36/963602336.db2.gz ZJSAVJXDMVMUQG-LUAWRHEFSA-N 0 0 364.405 2.743 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCO[C@@]2(CCc3ccccc32)C1 ZINC000588406020 963620021 /nfs/dbraw/zinc/62/00/21/963620021.db2.gz GRRJOIOEYZHUDN-LHFJYWTJSA-N 0 0 351.402 2.812 20 10 FFCDRN CN(c1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)Cc1ccc(N)cc1 ZINC001175384597 1013466477 /nfs/dbraw/zinc/46/64/77/1013466477.db2.gz UYCHGKNEQGRAQL-UHFFFAOYSA-N 0 0 366.311 2.931 20 10 FFCDRN C[C@H](NC(=O)N1CCOC[C@@H]1C[C@@H]1CCOC1)c1ccc(N(C)C)cc1 ZINC000894286682 964207796 /nfs/dbraw/zinc/20/77/96/964207796.db2.gz PVXJXZHCFJJARI-BXWFABGCSA-N 0 0 361.486 2.651 20 10 FFCDRN CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)cc1 ZINC000237134160 964247931 /nfs/dbraw/zinc/24/79/31/964247931.db2.gz GGKRPSLRWZLQLD-GOSISDBHSA-N 0 0 353.466 2.522 20 10 FFCDRN C[C@@H](C[S@](C)=O)NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000588429127 964427717 /nfs/dbraw/zinc/42/77/17/964427717.db2.gz GMIRBTWIKOODGO-NRRJATNASA-N 0 0 372.450 2.924 20 10 FFCDRN CN(C)c1ccc(CN2C[C@]3(CC2=O)CCCCN3C(=O)CCF)cc1 ZINC001270231863 964831419 /nfs/dbraw/zinc/83/14/19/964831419.db2.gz AEJFDBREHDUQOE-HXUWFJFHSA-N 0 0 361.461 2.596 20 10 FFCDRN O=C(c1ccc2c(n1)CCCN2)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000894515971 965438277 /nfs/dbraw/zinc/43/82/77/965438277.db2.gz WMWIDVCYGXPMAH-MRXNPFEDSA-N 0 0 367.449 2.967 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)c(C)s1 ZINC000894595124 965508908 /nfs/dbraw/zinc/50/89/08/965508908.db2.gz HDADBPBYYRUEQU-UHFFFAOYSA-N 0 0 371.506 2.997 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3c(OC)cccc3OC)CC2)cc1 ZINC000176323823 965684385 /nfs/dbraw/zinc/68/43/85/965684385.db2.gz AZDGXILFOBLHLB-UHFFFAOYSA-N 0 0 370.449 2.604 20 10 FFCDRN Cc1nnc(-c2cccc(N(C)S(=O)(=O)CCc3ccc(N)cc3)c2)o1 ZINC001175993915 1013602170 /nfs/dbraw/zinc/60/21/70/1013602170.db2.gz DSGBIYUAVAONQR-UHFFFAOYSA-N 0 0 372.450 2.636 20 10 FFCDRN Cn1cc(C2C[C@H]3CC[C@@H](C2)N3C(=O)NCCc2ccc(N)cc2)cn1 ZINC000892038469 965862356 /nfs/dbraw/zinc/86/23/56/965862356.db2.gz GGEQIEYKKQLOCR-QNBRMCRTSA-N 0 0 353.470 2.665 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000028893441 966021292 /nfs/dbraw/zinc/02/12/92/966021292.db2.gz ZCLGMVSYIHXPDU-QGZVFWFLSA-N 0 0 351.450 2.764 20 10 FFCDRN C[C@@H](NC(=O)C(=O)Nc1cncc(C(F)F)c1)c1ccc(N(C)C)cc1 ZINC000873807919 1013643430 /nfs/dbraw/zinc/64/34/30/1013643430.db2.gz FNFFNAYTUCPFDE-LLVKDONJSA-N 0 0 362.380 2.901 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)ccc1N(C)C ZINC000873821745 1013649712 /nfs/dbraw/zinc/64/97/12/1013649712.db2.gz RIOCGDBIKRDYNV-UHFFFAOYSA-N 0 0 373.428 2.975 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)c(C)n1-c1ccccn1 ZINC000135063489 966434443 /nfs/dbraw/zinc/43/44/43/966434443.db2.gz LESBWORYTNYIOP-NVXWUHKLSA-N 0 0 354.454 2.653 20 10 FFCDRN Fc1ccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)cc1 ZINC000158436645 966594368 /nfs/dbraw/zinc/59/43/68/966594368.db2.gz LGNJYZDUXQHYRJ-UHFFFAOYSA-N 0 0 355.457 2.985 20 10 FFCDRN CN1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H](c2ccccc2)C1 ZINC000873899853 1013683844 /nfs/dbraw/zinc/68/38/44/1013683844.db2.gz OHLKDNAPSQATKM-KRWDZBQOSA-N 0 0 351.410 2.978 20 10 FFCDRN CCOC(=O)CN(Cc1ccc2oc(=O)oc2c1)Cc1ccccc1O ZINC000895056829 967281861 /nfs/dbraw/zinc/28/18/61/967281861.db2.gz BVQJOSFPZUZPGX-UHFFFAOYSA-N 0 0 357.362 2.657 20 10 FFCDRN C[C@H](NS(=O)(=O)c1ccnn1CC1CCC1)c1ccc(N(C)C)cc1 ZINC001211572962 967386925 /nfs/dbraw/zinc/38/69/25/967386925.db2.gz RLPIRHYTEXGQDJ-AWEZNQCLSA-N 0 0 362.499 2.789 20 10 FFCDRN CN(c1cn(C)nc1-c1ccccc1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001176568486 1013733796 /nfs/dbraw/zinc/73/37/96/1013733796.db2.gz GXFKUBPUGMAWIF-UHFFFAOYSA-N 0 0 356.451 2.636 20 10 FFCDRN Oc1cc(O)c(CCNc2ccc(OCc3ccccc3)nn2)cc1O ZINC001168008766 967728918 /nfs/dbraw/zinc/72/89/18/967728918.db2.gz CSWWGAVXPNFLOQ-UHFFFAOYSA-N 0 0 353.378 2.827 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@@H]1CC(=O)NC1=O ZINC000935242624 968099933 /nfs/dbraw/zinc/09/99/33/968099933.db2.gz HTMKAXXAQAXHET-PBHICJAKSA-N 0 0 366.417 2.535 20 10 FFCDRN C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(N2CCOCC2)cc1 ZINC000145438830 968380719 /nfs/dbraw/zinc/38/07/19/968380719.db2.gz IZSDKWWVYGICSR-CQSZACIVSA-N 0 0 355.394 2.922 20 10 FFCDRN Cc1ccoc1C(=O)NCCCNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773609076 1013836141 /nfs/dbraw/zinc/83/61/41/1013836141.db2.gz AARIPKGWXDPARN-OAHLLOKOSA-N 0 0 372.469 2.834 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCc3ccc(CCO)cc3)ccc21 ZINC000892491502 969138179 /nfs/dbraw/zinc/13/81/79/969138179.db2.gz BCSKBOQYDOXAAB-UHFFFAOYSA-N 0 0 353.466 2.603 20 10 FFCDRN CCCNC(=O)C1CCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000773613403 1013860012 /nfs/dbraw/zinc/86/00/12/1013860012.db2.gz QRCUJHFTFLDAJR-OAHLLOKOSA-N 0 0 360.502 2.761 20 10 FFCDRN CN(CC(=O)NCc1ccc(N(C)C)cc1)Cc1nc2c(s1)CCCC2 ZINC000177790743 969344005 /nfs/dbraw/zinc/34/40/05/969344005.db2.gz BGVCPXRDSJKHQB-UHFFFAOYSA-N 0 0 372.538 2.836 20 10 FFCDRN CCOC(=O)[C@@H](C)C1CN(C(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000874721857 1013881423 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COc1ccc(N2CCC(NC(=O)N3CCC(C(C)=O)CC3)CC2)cc1 ZINC000875210127 1013994061 /nfs/dbraw/zinc/99/40/61/1013994061.db2.gz GCWXRVXJRFSOLT-UHFFFAOYSA-N 0 0 359.470 2.675 20 10 FFCDRN NC(=O)c1cccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)c1 ZINC000125327021 1013998335 /nfs/dbraw/zinc/99/83/35/1013998335.db2.gz BJJJMEOEWWBTNU-UHFFFAOYSA-N 0 0 350.374 2.927 20 10 FFCDRN CN(C)[C@@H](CNC(=O)N1Cc2cccc(O)c2C1)c1c(F)cccc1F ZINC000875298220 1014007600 /nfs/dbraw/zinc/00/76/00/1014007600.db2.gz VDBZCVTWYXVEDZ-INIZCTEOSA-N 0 0 361.392 2.999 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCC[C@@H]1C1OCCO1 ZINC000895395125 970568042 /nfs/dbraw/zinc/56/80/42/970568042.db2.gz WUDZHFBBYMQYMO-MAUKXSAKSA-N 0 0 361.486 2.539 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc4[nH]cnc4c3F)CC2)cc1F ZINC000896898570 972535886 /nfs/dbraw/zinc/53/58/86/972535886.db2.gz KGPJTACFCTVYIT-UHFFFAOYSA-N 0 0 372.375 2.812 20 10 FFCDRN C/C=C(\C)C(=O)N1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1CC ZINC000985026519 972537296 /nfs/dbraw/zinc/53/72/96/972537296.db2.gz HKCSGFKUCTVZRA-RTVVXIANSA-N 0 0 371.441 2.925 20 10 FFCDRN C[C@H](NC(=O)N1CCC([C@H]2NC(=O)C2(C)C)CC1)c1ccc(N(C)C)cc1 ZINC000875508059 1014036581 /nfs/dbraw/zinc/03/65/81/1014036581.db2.gz SIACAULJFGXNOL-KBXCAEBGSA-N 0 0 372.513 2.760 20 10 FFCDRN CCCC(=O)N1CC[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1CC ZINC000985027215 972547364 /nfs/dbraw/zinc/54/73/64/972547364.db2.gz PZXWQHGFQQTSTC-LSDHHAIUSA-N 0 0 359.430 2.758 20 10 FFCDRN CCc1onc(C)c1NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000125572315 1014073319 /nfs/dbraw/zinc/07/33/19/1014073319.db2.gz KWQCKTUFWZBJFK-UHFFFAOYSA-N 0 0 358.442 2.599 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N(C)C)cc1 ZINC000029480346 974194211 /nfs/dbraw/zinc/19/42/11/974194211.db2.gz WNFDDDCSHOJQNK-UHFFFAOYSA-N 0 0 356.426 2.999 20 10 FFCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cnc4c(c3)CCCC4)no2)cc1O ZINC001211667807 974258307 /nfs/dbraw/zinc/25/83/07/974258307.db2.gz FKTWVGBUAMRZRU-QGZVFWFLSA-N 0 0 353.378 2.698 20 10 FFCDRN CCCC[C@@H](CC)C[N@@H+]1CCC2(CN(C(=O)c3cc([O-])[nH]c(=O)c3)C2)C1 ZINC001271795846 974340813 /nfs/dbraw/zinc/34/08/13/974340813.db2.gz BJQONBOHAJSZBV-OAHLLOKOSA-N 0 0 361.486 2.857 20 10 FFCDRN Cc1cc(C(=O)CN2CCS(=O)(=O)C[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC000085822228 975329381 /nfs/dbraw/zinc/32/93/81/975329381.db2.gz DBKWTLWJVUHRCG-INIZCTEOSA-N 0 0 374.506 2.704 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCCN2Cc2cccnc2)cc1F ZINC001116041963 1032086689 /nfs/dbraw/zinc/08/66/89/1032086689.db2.gz DDBCUZRCAUAVFF-FQEVSTJZSA-N 0 0 370.472 2.958 20 10 FFCDRN COc1ccc(CN2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)o1 ZINC000893580088 975585126 /nfs/dbraw/zinc/58/51/26/975585126.db2.gz RTIVOSQWASEHED-UHFFFAOYSA-N 0 0 362.426 2.636 20 10 FFCDRN C[C@@H]1CN(c2ccc(C(=O)NCCc3ccc(N)cc3)cc2)C[C@@H](C)O1 ZINC000876527658 1014292229 /nfs/dbraw/zinc/29/22/29/1014292229.db2.gz JNUDSTDNHCMBMT-HZPDHXFCSA-N 0 0 353.466 2.855 20 10 FFCDRN Cc1cc(C(=O)NCCCc2c[nH][nH]c2=O)c(C)n1-c1ccccc1C ZINC000898729119 976648252 /nfs/dbraw/zinc/64/82/52/976648252.db2.gz DANMLEHKWXCNIC-INIZCTEOSA-N 0 0 352.438 2.644 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@@H]1CCOC12CCCC2 ZINC000898770199 976670223 /nfs/dbraw/zinc/67/02/23/976670223.db2.gz OZWGORSKHHOGRV-LJQANCHMSA-N 0 0 373.497 2.766 20 10 FFCDRN CN1C[C@H](CCNC(=O)N(Cc2ccco2)Cc2ccccc2O)CC1=O ZINC000924740112 976676517 /nfs/dbraw/zinc/67/65/17/976676517.db2.gz SBWPAPJEFBISMH-OAHLLOKOSA-N 0 0 371.437 2.565 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H](C)c2cnn(CC3CCC3)c2)c(O)c1 ZINC000898840642 976723411 /nfs/dbraw/zinc/72/34/11/976723411.db2.gz BPIOQFPRATUANB-CYBMUJFWSA-N 0 0 358.442 2.958 20 10 FFCDRN CC(C)(C)[C@@H](NC(=O)C(=O)NCCc1ccc(N)cc1)c1ccc(F)cc1 ZINC000842191890 976761664 /nfs/dbraw/zinc/76/16/64/976761664.db2.gz OOKCJHVTIOINNV-SFHVURJKSA-N 0 0 371.456 2.970 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H]2CC[C@]3(CO[C@@H](C)C3)O2)c(C)n1-c1ccccn1 ZINC000899484134 977182137 /nfs/dbraw/zinc/18/21/37/977182137.db2.gz KJCNRFPTVSCLMZ-WJPUGNRLSA-N 0 0 369.465 2.946 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@@H](n2cccn2)C(F)(F)F)cc1 ZINC001167893944 977353177 /nfs/dbraw/zinc/35/31/77/977353177.db2.gz YFYHRGRTUZPBDU-LLVKDONJSA-N 0 0 354.292 2.579 20 10 FFCDRN Cc1ccc(CNc2cccc(CC(=O)N3CCN(C)CC3)c2)c(O)c1 ZINC000876871670 1014405022 /nfs/dbraw/zinc/40/50/22/1014405022.db2.gz XWNYIRDMYGSKQK-UHFFFAOYSA-N 0 0 353.466 2.629 20 10 FFCDRN CCn1c(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)n[nH]c1=S ZINC000067077045 977667344 /nfs/dbraw/zinc/66/73/44/977667344.db2.gz URQAACOWZDMHGX-UHFFFAOYSA-N 0 0 370.482 2.736 20 10 FFCDRN CCc1ccccc1N1C[C@H](C(=O)NCCc2ccc(N)cc2)CC1=O ZINC000237017824 977926743 /nfs/dbraw/zinc/92/67/43/977926743.db2.gz MGULFPSPGNXQKU-QGZVFWFLSA-N 0 0 351.450 2.543 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)COc2ccc3c(c2)CCC(=O)N3)c1 ZINC000728978729 978136126 /nfs/dbraw/zinc/13/61/26/978136126.db2.gz UJWBOMMJKJMPMH-LBPRGKRZSA-N 0 0 370.405 2.542 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C[C@@H](NC(C)=O)c2ccccc2)c1 ZINC000728979875 978145551 /nfs/dbraw/zinc/14/55/51/978145551.db2.gz PKYHAZNFMSWOMV-SCLBCKFNSA-N 0 0 356.422 2.846 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 ZINC000728980951 978147050 /nfs/dbraw/zinc/14/70/50/978147050.db2.gz QOSXISIMXZKMDA-LBPRGKRZSA-N 0 0 367.405 2.860 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)c1 ZINC000729037265 978164013 /nfs/dbraw/zinc/16/40/13/978164013.db2.gz ROMQBZFEKNBFMT-CYBMUJFWSA-N 0 0 371.437 2.914 20 10 FFCDRN COC(=O)COc1cccc(NC(=O)N[C@H](C)c2cc(OC)ccc2O)c1 ZINC000729035690 978164131 /nfs/dbraw/zinc/16/41/31/978164131.db2.gz AOYFXXUXMHJRRU-GFCCVEGCSA-N 0 0 374.393 2.835 20 10 FFCDRN CCOc1ccc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)cc1 ZINC000729066343 978169607 /nfs/dbraw/zinc/16/96/07/978169607.db2.gz KLMRBMIRROUVSG-LBPRGKRZSA-N 0 0 358.394 2.615 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2cc(C)ccc2OC)c1 ZINC000729065323 978170054 /nfs/dbraw/zinc/17/00/54/978170054.db2.gz CORVVKPUVYWGHS-GFCCVEGCSA-N 0 0 358.394 2.534 20 10 FFCDRN CCOc1ccccc1[C@@H](CC(=O)N(C)c1ccc(N)cc1)NC(C)=O ZINC000877078334 1014469382 /nfs/dbraw/zinc/46/93/82/1014469382.db2.gz MJOWJHCBBPKCRV-GOSISDBHSA-N 0 0 355.438 2.898 20 10 FFCDRN CC(C)CN1CC[C@]2(CCCN(C(=O)c3ccc(O)c(O)c3)CC2)C1=O ZINC001271858137 979160513 /nfs/dbraw/zinc/16/05/13/979160513.db2.gz YGEAIBJKXNDYKQ-HXUWFJFHSA-N 0 0 360.454 2.599 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N(O)Cc1ccc(F)cc1 ZINC000904166031 980205611 /nfs/dbraw/zinc/20/56/11/980205611.db2.gz XSLJMNTUIFBLHG-UHFFFAOYSA-N 0 0 359.401 2.763 20 10 FFCDRN CCn1cc(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)cn1 ZINC000780397041 980384828 /nfs/dbraw/zinc/38/48/28/980384828.db2.gz HOLAHJFBCPBBOF-GJZGRUSLSA-N 0 0 374.460 2.515 20 10 FFCDRN COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000906420620 980655079 /nfs/dbraw/zinc/65/50/79/980655079.db2.gz VRSQYPYQMRVCBM-AYOQOUSVSA-N 0 0 374.481 2.680 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnc4cccc(C)n34)CC2)cc1F ZINC000906948403 981179201 /nfs/dbraw/zinc/17/92/01/981179201.db2.gz AYTAVUNGZRFULC-UHFFFAOYSA-N 0 0 368.412 2.753 20 10 FFCDRN C[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cnccn1 ZINC000907059945 981192985 /nfs/dbraw/zinc/19/29/85/981192985.db2.gz JWICHHPNZAMVMB-BBRMVZONSA-N 0 0 374.872 2.720 20 10 FFCDRN CCOC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000908276687 981404719 /nfs/dbraw/zinc/40/47/19/981404719.db2.gz YLFOOSJEJGEPAO-UONOGXRCSA-N 0 0 364.405 2.924 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N(C)C[C@@H]2CCN(C(C)=O)C2)cc1 ZINC000179154664 981429641 /nfs/dbraw/zinc/42/96/41/981429641.db2.gz QOGGOZLGUYUMLO-SFHVURJKSA-N 0 0 360.502 2.543 20 10 FFCDRN C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1C(=O)C1CC=CC1 ZINC000988678746 981530585 /nfs/dbraw/zinc/53/05/85/981530585.db2.gz AVJPQYRUGBDMEN-WBMJQRKESA-N 0 0 369.425 2.534 20 10 FFCDRN C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000877992037 1014799133 /nfs/dbraw/zinc/79/91/33/1014799133.db2.gz RAABWCKTODWGBJ-FOIQADDNSA-N 0 0 368.481 2.571 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cnc2cc[nH]c2c1 ZINC000877991135 1014799304 /nfs/dbraw/zinc/79/93/04/1014799304.db2.gz DSKJZWBDKVRTRS-UHFFFAOYSA-N 0 0 350.422 2.672 20 10 FFCDRN Cc1ccc(NC(=O)CS[C@H](C)C(=O)NCc2ccc(O)cc2O)cc1 ZINC000910958832 982100834 /nfs/dbraw/zinc/10/08/34/982100834.db2.gz WWUDDLSCUPMHSH-CYBMUJFWSA-N 0 0 374.462 2.783 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000910943213 982107694 /nfs/dbraw/zinc/10/76/94/982107694.db2.gz KTJZNAKOLHCLET-CZUORRHYSA-N 0 0 367.323 2.896 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@]2(F)CCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000175127615 982163885 /nfs/dbraw/zinc/16/38/85/982163885.db2.gz RVZYRWAOLTYTHH-IBGZPJMESA-N 0 0 365.449 2.718 20 10 FFCDRN Cc1cccnc1[C@H](NC(=O)C(=O)NCCc1ccc(N)cc1)C(C)(C)C ZINC000911294073 982194405 /nfs/dbraw/zinc/19/44/05/982194405.db2.gz UVHPPIQSPSRCRU-SFHVURJKSA-N 0 0 368.481 2.535 20 10 FFCDRN C[C@H](CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1)n1cccc1 ZINC000729523935 982218217 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O=C(NCc1ccc(O)cc1O)c1ccc2cncc(Br)c2n1 ZINC001142533435 982622614 /nfs/dbraw/zinc/62/26/14/982622614.db2.gz KDCZPNWDIVGYTK-UHFFFAOYSA-N 0 0 374.194 2.734 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](CO)[C@H]2CCOC2)c(C)n1-c1ccccc1C ZINC000796451654 1014966045 /nfs/dbraw/zinc/96/60/45/1014966045.db2.gz RHBFNNXVZRKVMM-ZWKOTPCHSA-N 0 0 356.466 2.777 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@H](CO)C2)CCCC1 ZINC000651083546 1014976196 /nfs/dbraw/zinc/97/61/96/1014976196.db2.gz CYCAUACPSJCJGV-HNNXBMFYSA-N 0 0 356.466 2.760 20 10 FFCDRN C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000785424073 983941694 /nfs/dbraw/zinc/94/16/94/983941694.db2.gz LKWVJMIKNVEZJR-QFBILLFUSA-N 0 0 365.477 2.773 20 10 FFCDRN CCC[C@@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000912209691 983983480 /nfs/dbraw/zinc/98/34/80/983983480.db2.gz XUXDFCBTPLFGEL-PKOBYXMFSA-N 0 0 372.513 2.862 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3[nH]nc(C)c3C(F)(F)F)C2)cc1 ZINC000912292051 984002133 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COc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccn1 ZINC000045494974 984453934 /nfs/dbraw/zinc/45/39/34/984453934.db2.gz AYWUDXXNVYTKOS-UHFFFAOYSA-N 0 0 372.494 2.643 20 10 FFCDRN Cc1noc(C[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2)n1 ZINC000760756149 984470833 /nfs/dbraw/zinc/47/08/33/984470833.db2.gz BGHGUYSOIHVENU-XAVKZTDYSA-N 0 0 365.389 2.903 20 10 FFCDRN CC(C)Oc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000057732253 984516018 /nfs/dbraw/zinc/51/60/18/984516018.db2.gz XFWZMRYHVLADLA-UHFFFAOYSA-N 0 0 373.428 2.934 20 10 FFCDRN COC(=O)[C@H](NCc1ccc2c(c1)CCO2)c1cc(OC)cc(OC)c1 ZINC000764629270 984607191 /nfs/dbraw/zinc/60/71/91/984607191.db2.gz LXBCTCKEVMRTBA-LJQANCHMSA-N 0 0 357.406 2.643 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCc2nc3ccccc3[nH]2)cc1F ZINC000058559113 984618042 /nfs/dbraw/zinc/61/80/42/984618042.db2.gz CEYQTELZJZKEEV-UHFFFAOYSA-N 0 0 355.417 2.810 20 10 FFCDRN CC(=O)OCCc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000764700446 984643061 /nfs/dbraw/zinc/64/30/61/984643061.db2.gz LKPOPLHKNZOSNT-UHFFFAOYSA-N 0 0 358.394 2.568 20 10 FFCDRN O=C1[C@@H]2[C@H]3CCC[C@@H]3CN2C(=O)N1Cc1ccc(N2CCSCC2)cc1 ZINC000761097534 984780388 /nfs/dbraw/zinc/78/03/88/984780388.db2.gz JCQIVOLIPKCOMD-NJAFHUGGSA-N 0 0 371.506 2.803 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1Cc1cccc2c1OCO2 ZINC000761118344 984810372 /nfs/dbraw/zinc/81/03/72/984810372.db2.gz ACOOPLRTOWKMGL-UHFFFAOYSA-N 0 0 374.780 2.739 20 10 FFCDRN C[C@@H](c1ccc(N2CCOCC2)cc1)N1C(=O)CN(C2CCCC2)C1=O ZINC000761158346 984855173 /nfs/dbraw/zinc/85/51/73/984855173.db2.gz JOOZAHJUZKYKLD-HNNXBMFYSA-N 0 0 357.454 2.791 20 10 FFCDRN CCN(CC)c1ccc(CN2CCN(c3ncc(F)cn3)CC2)cc1F ZINC000761227303 984941939 /nfs/dbraw/zinc/94/19/39/984941939.db2.gz ZQLDMUAALARUIX-UHFFFAOYSA-N 0 0 361.440 2.923 20 10 FFCDRN C/C=C(/C=C/C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1)CC ZINC000765309647 985032441 /nfs/dbraw/zinc/03/24/41/985032441.db2.gz KMDRTWRLKKMJEI-OBQCXRRTSA-N 0 0 357.498 2.846 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N2CCC[C@]3(CC=CCC3)C2)cc1 ZINC000785432598 985043222 /nfs/dbraw/zinc/04/32/22/985043222.db2.gz DZNXUKSBHLEWMZ-OAQYLSRUSA-N 0 0 355.482 2.718 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CCO[C@H](c3cccc(F)c3)C2)cc1 ZINC000170760235 985138729 /nfs/dbraw/zinc/13/87/29/985138729.db2.gz CYJFJRKWOCMOPM-FQEVSTJZSA-N 0 0 371.456 2.581 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccc(=O)n(C)c3)cc2)CC1 ZINC000170993449 985194649 /nfs/dbraw/zinc/19/46/49/985194649.db2.gz FOCWGNNLCOHERF-UHFFFAOYSA-N 0 0 354.454 2.943 20 10 FFCDRN CO[C@H](C)c1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000171221062 985244048 /nfs/dbraw/zinc/24/40/48/985244048.db2.gz CZVSSBXHBKKEBY-CQSZACIVSA-N 0 0 355.438 2.715 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2ccc(-n3cncn3)c(C)c2)c1 ZINC000173132529 985762349 /nfs/dbraw/zinc/76/23/49/985762349.db2.gz CHJXNQPEJSPFGW-ZDUSSCGKSA-N 0 0 352.394 2.781 20 10 FFCDRN CC[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)N1CCCC1=O ZINC000173182097 985770805 /nfs/dbraw/zinc/77/08/05/985770805.db2.gz JHGRVMRVHSBRNI-LJQANCHMSA-N 0 0 357.498 2.940 20 10 FFCDRN CC[C@@H](COC)NC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173255087 985786267 /nfs/dbraw/zinc/78/62/67/985786267.db2.gz AOGYIKHEWBNEOR-KBPBESRZSA-N 0 0 371.428 2.981 20 10 FFCDRN O=C(NCCCOC[C@H]1CCCO1)NCc1c(O)ccc2c1CCCC2 ZINC000173555907 985890349 /nfs/dbraw/zinc/89/03/49/985890349.db2.gz NEAUXFITIYLUQJ-MRXNPFEDSA-N 0 0 362.470 2.656 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc(CNC(=O)C(C)(C)C)cc2)c1 ZINC000173581506 985897426 /nfs/dbraw/zinc/89/74/26/985897426.db2.gz CFJHYDLDWKOOPI-UHFFFAOYSA-N 0 0 370.449 2.993 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1OC ZINC000063617581 985977740 /nfs/dbraw/zinc/97/77/40/985977740.db2.gz QSSZFCCKCUQZIL-DOTOQJQBSA-N 0 0 364.486 2.852 20 10 FFCDRN CN(Cc1ccncc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000122994789 986246027 /nfs/dbraw/zinc/24/60/27/986246027.db2.gz IOWCYXSLFRLQJR-UHFFFAOYSA-N 0 0 372.444 2.523 20 10 FFCDRN Cc1cc(C(=O)NCc2nc(O)cc(=O)[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC001168431092 986440384 /nfs/dbraw/zinc/44/03/84/986440384.db2.gz RMOVYBWQQNKXRR-UHFFFAOYSA-N 0 0 372.812 2.879 20 10 FFCDRN O=C(NCc1cccc(N2CCCC2=O)c1)NCc1c(O)cccc1F ZINC000914119173 987208599 /nfs/dbraw/zinc/20/85/99/987208599.db2.gz GCSHXLKZNQTSRF-UHFFFAOYSA-N 0 0 357.385 2.658 20 10 FFCDRN C[C@@H](NC(=O)NC[C@]12CCC[C@H]1OCC2)c1ccc(N2CCOCC2)cc1 ZINC000914400165 987476300 /nfs/dbraw/zinc/47/63/00/987476300.db2.gz DEANMGMCEBLVMF-OZOXKJRCSA-N 0 0 373.497 2.843 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000152981198 987566170 /nfs/dbraw/zinc/56/61/70/987566170.db2.gz ODYUWOHMTDMUBJ-LLVKDONJSA-N 0 0 354.362 2.957 20 10 FFCDRN CCc1[nH]c(C[NH2+]C[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1C(=O)[O-] ZINC001597393435 987635721 /nfs/dbraw/zinc/63/57/21/987635721.db2.gz ODLPYRVYSXFXHW-LJQANCHMSA-N 0 0 358.486 2.734 20 10 FFCDRN CCc1noc(C)c1NC(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC000879026896 1015330298 /nfs/dbraw/zinc/33/02/98/1015330298.db2.gz YMWCZTRXRHQSSC-UHFFFAOYSA-N 0 0 374.441 2.917 20 10 FFCDRN CCN(CC)C(=O)CN(CC(=O)N(CC)CC)c1ccc2c(c1)CCC2 ZINC000914865993 988009689 /nfs/dbraw/zinc/00/96/89/988009689.db2.gz CUABLJCPDNQWBT-UHFFFAOYSA-N 0 0 359.514 2.719 20 10 FFCDRN COC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(N3CCCC3)cc2)c1C ZINC000915084042 988211824 /nfs/dbraw/zinc/21/18/24/988211824.db2.gz ZHPDJJRXBYYGLG-UHFFFAOYSA-N 0 0 355.438 2.948 20 10 FFCDRN Cc1cc(C(=O)N2CCN(C(=O)N(C)C)CC2)c(C)n1-c1cccc(C)c1 ZINC000915196622 988287242 /nfs/dbraw/zinc/28/72/42/988287242.db2.gz JIAUSYYICYMYDK-UHFFFAOYSA-N 0 0 368.481 2.842 20 10 FFCDRN O=C(Nc1c(-c2ccccn2)nc2ccccn21)c1ccc([N+](=O)[O-])cn1 ZINC000762331805 988309162 /nfs/dbraw/zinc/30/91/62/988309162.db2.gz QCCPVKKZLNOMSA-UHFFFAOYSA-N 0 0 360.333 2.952 20 10 FFCDRN COc1ccc(NC(=O)CN2CCOc3cc(N(C)C)ccc32)cc1OC ZINC000762333949 988311558 /nfs/dbraw/zinc/31/15/58/988311558.db2.gz LHMSMYILIABBBH-UHFFFAOYSA-N 0 0 371.437 2.607 20 10 FFCDRN Cc1nc(C)c(CC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c(=O)[nH]1 ZINC000915260308 988356345 /nfs/dbraw/zinc/35/63/45/988356345.db2.gz MHLIHNCSXCBBKC-UHFFFAOYSA-N 0 0 354.454 2.599 20 10 FFCDRN CCOC(=O)C(=Cc1cc(C)c(C)nc1NC[C@@H]1CC(=O)N(C)C1)N=[N+]=[N-] ZINC001168722530 988381824 /nfs/dbraw/zinc/38/18/24/988381824.db2.gz PKXDWQFNRZHORK-PBTLCFMXSA-N 0 0 372.429 2.803 20 10 FFCDRN COc1ccc(N2CCCN(Cn3cnc(-c4ccccn4)n3)CC2)cc1 ZINC000762488455 988405632 /nfs/dbraw/zinc/40/56/32/988405632.db2.gz NLUCBDMSTPLQEW-UHFFFAOYSA-N 0 0 364.453 2.519 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NC[C@H](C[C@@H](C)O)c2ccccc2)c1 ZINC000153586436 988490069 /nfs/dbraw/zinc/49/00/69/988490069.db2.gz JUDYTLNQIFZRQQ-ZBFHGGJFSA-N 0 0 358.438 2.755 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N[C@H]([C@@H]3CCOC3)C(F)(F)F)ccc21 ZINC000915389946 988505212 /nfs/dbraw/zinc/50/52/12/988505212.db2.gz GQBYCFVVVLUHON-GDBMZVCRSA-N 0 0 371.403 2.836 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)OCC(=O)[C@@H]3CCOC3)c2C)cc1 ZINC000762839797 988644940 /nfs/dbraw/zinc/64/49/40/988644940.db2.gz AHQNGWCJKHHDCR-OAHLLOKOSA-N 0 0 357.406 2.865 20 10 FFCDRN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1cc2n(n1)CCCO2 ZINC000762994453 988951292 /nfs/dbraw/zinc/95/12/92/988951292.db2.gz DYXBIFCMWQWVGT-UHFFFAOYSA-N 0 0 373.368 2.693 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1coc(C2CC2)n1 ZINC000763251560 989313278 /nfs/dbraw/zinc/31/32/78/989313278.db2.gz PYVUKCFUBWKASN-UHFFFAOYSA-N 0 0 359.401 2.582 20 10 FFCDRN COCC(=O)N1CCc2cc(NC(=O)N[C@@H](C)c3ccccc3O)ccc21 ZINC000879295677 1015465628 /nfs/dbraw/zinc/46/56/28/1015465628.db2.gz GRJNSDBIACNAMQ-ZDUSSCGKSA-N 0 0 369.421 2.810 20 10 FFCDRN Cc1cc(C(=O)N2CCN3C(=O)CC[C@H]3C2)c(C)n1-c1ccccc1C ZINC000766043628 989384797 /nfs/dbraw/zinc/38/47/97/989384797.db2.gz JASRXJOYRBLVFS-KRWDZBQOSA-N 0 0 351.450 2.849 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3CCO[C@@H]4COCC[C@@H]43)c2C)cc1 ZINC000888770096 1015480089 /nfs/dbraw/zinc/48/00/89/1015480089.db2.gz RDJNJDWEFLQHGJ-VQTJNVASSA-N 0 0 370.449 2.733 20 10 FFCDRN COC(=O)CCCNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000915894049 989706993 /nfs/dbraw/zinc/70/69/93/989706993.db2.gz ATMQWFKEJGGTIB-UHFFFAOYSA-N 0 0 357.454 2.889 20 10 FFCDRN Cc1cc(CCNC(=O)N[C@@H](C)c2nncn2C)c(C)n1-c1ccccc1 ZINC000916220777 989761521 /nfs/dbraw/zinc/76/15/21/989761521.db2.gz ALTJFXFNSUCQFJ-HNNXBMFYSA-N 0 0 366.469 2.826 20 10 FFCDRN CCn1cnnc1CNC(=O)NCCc1cc(C)n(-c2ccccc2)c1C ZINC000916220968 989761919 /nfs/dbraw/zinc/76/19/19/989761919.db2.gz JJDWDORVFMUXCD-UHFFFAOYSA-N 0 0 366.469 2.747 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCCCC(=O)NC2CC2)cc1 ZINC000916577493 989827831 /nfs/dbraw/zinc/82/78/31/989827831.db2.gz DUHSZIAYSQXDKA-UHFFFAOYSA-N 0 0 360.502 2.733 20 10 FFCDRN C[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cn(-c2ccccc2)nn1 ZINC000154082994 989835775 /nfs/dbraw/zinc/83/57/75/989835775.db2.gz LJMPOAUOCGPOHP-QGZVFWFLSA-N 0 0 363.465 2.955 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(CN1CCCc3cccc(F)c31)cc2=O ZINC000917093319 990131331 /nfs/dbraw/zinc/13/13/31/990131331.db2.gz JXDKRYPZXYTNJC-UHFFFAOYSA-N 0 0 370.384 2.704 20 10 FFCDRN COc1ccc2c(c1)CCC(S(=O)(=O)NCc1ccc(O)cc1O)=C2 ZINC001212222897 990137250 /nfs/dbraw/zinc/13/72/50/990137250.db2.gz LKPDPTXWLNVXCJ-UHFFFAOYSA-N 0 0 361.419 2.513 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(CN(CC)c1ccc(F)cc1)cc2=O ZINC000917207509 990168875 /nfs/dbraw/zinc/16/88/75/990168875.db2.gz GFLMNZZTBMTDBN-UHFFFAOYSA-N 0 0 358.373 2.777 20 10 FFCDRN O=C(CNC(=O)C1CCCCC1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000917364880 990202439 /nfs/dbraw/zinc/20/24/39/990202439.db2.gz QFJWXPZTPQMIEO-SFHVURJKSA-N 0 0 374.481 2.596 20 10 FFCDRN COc1ccc(N2CCN(Cc3nnc(C(C)(C)C)o3)CC2)c(OC)c1 ZINC000879463891 1015548945 /nfs/dbraw/zinc/54/89/45/1015548945.db2.gz UOYDMHDJGITWSH-UHFFFAOYSA-N 0 0 360.458 2.707 20 10 FFCDRN CC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000918118828 990339237 /nfs/dbraw/zinc/33/92/37/990339237.db2.gz FXMSAEWLTLKOIT-QZTJIDSGSA-N 0 0 372.513 2.862 20 10 FFCDRN CCn1ccnc1[C@@H]1OCC[C@H]1NC(=O)NCc1ccc(N(C)C)cc1C ZINC000919069222 990564780 /nfs/dbraw/zinc/56/47/80/990564780.db2.gz DGRWWVKRVXUOLJ-QZTJIDSGSA-N 0 0 371.485 2.607 20 10 FFCDRN Cn1ccc(C2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)n1 ZINC000919908053 990760891 /nfs/dbraw/zinc/76/08/91/990760891.db2.gz CUJZZJVFYHRTLS-UHFFFAOYSA-N 0 0 365.481 2.886 20 10 FFCDRN [O-]c1c(CN2C[C@@H]3[NH2+]C[C@H]3C2)cc(Br)cc1C(F)(F)F ZINC001236282304 990783256 /nfs/dbraw/zinc/78/32/56/990783256.db2.gz GTKOEUXEKKSHHD-KWQFWETISA-N 0 0 351.166 2.577 20 10 FFCDRN CCc1ccc(O)c(C(=O)Nc2cccc(N3CCN(C(C)=O)CC3)c2)c1 ZINC000187126971 990993897 /nfs/dbraw/zinc/99/38/97/990993897.db2.gz BJNWXSWKAWCWSO-UHFFFAOYSA-N 0 0 367.449 2.875 20 10 FFCDRN CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](C)Oc3ccc(C)cc32)c1 ZINC000175064236 991149215 /nfs/dbraw/zinc/14/92/15/991149215.db2.gz PWIVCQBHXRDRJU-HZRUHFOJSA-N 0 0 351.406 2.577 20 10 FFCDRN Cc1cc(CNC(=O)NCC[C@H]2CC(=O)N(C)C2)c(C)n1-c1ccccc1 ZINC000923454899 991156996 /nfs/dbraw/zinc/15/69/96/991156996.db2.gz YLRGLBRKWDNZBR-KRWDZBQOSA-N 0 0 368.481 2.762 20 10 FFCDRN COc1cccc(CN(C)C(=O)CN(C)c2ccc(OC)c(OC)c2)c1 ZINC000064517179 991186327 /nfs/dbraw/zinc/18/63/27/991186327.db2.gz YFQHWDGIYHJDKV-UHFFFAOYSA-N 0 0 358.438 2.807 20 10 FFCDRN CC(C)[C@H](NC(=O)Cn1c2ccccc2c2c1CC[N@H+](C(C)C)C2)C(=O)[O-] ZINC001591007459 991270467 /nfs/dbraw/zinc/27/04/67/991270467.db2.gz GPIXNFGYDNODHA-FQEVSTJZSA-N 0 0 371.481 2.633 20 10 FFCDRN Cc1cc(C)c(NC(=O)CNC(=O)C[NH2+][C@H](C)c2ccccc2O)c(C)c1 ZINC000879648261 1015623922 /nfs/dbraw/zinc/62/39/22/1015623922.db2.gz HDENHLFNICLZPL-MRXNPFEDSA-N 0 0 369.465 2.723 20 10 FFCDRN COc1ccc(N(C)CC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1OC ZINC000067984689 991295887 /nfs/dbraw/zinc/29/58/87/991295887.db2.gz QSSZFCCKCUQZIL-WBVHZDCISA-N 0 0 364.486 2.852 20 10 FFCDRN CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@](O)(C3(C(=O)[O-])CCC3)C2)cc1 ZINC001598314400 991297108 /nfs/dbraw/zinc/29/71/08/991297108.db2.gz QYNABGVMUAUYNP-YIEJHSOVSA-N 0 0 358.482 2.848 20 10 FFCDRN CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000879653916 1015627226 /nfs/dbraw/zinc/62/72/26/1015627226.db2.gz 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CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2nc(C)cs2)cc1 ZINC000788964125 1001923974 /nfs/dbraw/zinc/92/39/74/1001923974.db2.gz AGJXEPKEGSMZOH-AWEZNQCLSA-N 0 0 374.510 2.791 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N1CCC[C@@H]2CCC[C@H]21 ZINC000788934048 1001926480 /nfs/dbraw/zinc/92/64/80/1001926480.db2.gz ZVWMLGNEDHFKBO-PKOBYXMFSA-N 0 0 355.482 2.694 20 10 FFCDRN O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1c(F)ccc(O)c1O ZINC001182474362 1001930334 /nfs/dbraw/zinc/93/03/34/1001930334.db2.gz DPTGNQWRORCELE-UHFFFAOYSA-N 0 0 353.733 2.592 20 10 FFCDRN COc1cccc(CNc2ccc([N+](=O)[O-])cc2C(=O)NC2CC2)c1O ZINC000774523861 1001975097 /nfs/dbraw/zinc/97/50/97/1001975097.db2.gz JOEUODOYQSBPSQ-UHFFFAOYSA-N 0 0 357.366 2.813 20 10 FFCDRN C[C@H](NC(=O)CCn1c2ccccc2n(C)c1=O)c1ccc(N(C)C)cc1 ZINC000773012383 1002028808 /nfs/dbraw/zinc/02/88/08/1002028808.db2.gz HIOAZEHGIVNDRC-HNNXBMFYSA-N 0 0 366.465 2.674 20 10 FFCDRN CC1(C)OC(=O)C[C@@H]1C(=O)n1c(=N)ccc(/N=N/c2ccccc2)c1N ZINC001182747421 1002038168 /nfs/dbraw/zinc/03/81/68/1002038168.db2.gz AVMXYKWMESMTLJ-XXQYWHQPSA-N 0 0 353.382 2.947 20 10 FFCDRN CC1(CC(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)COC1 ZINC001182864193 1002076766 /nfs/dbraw/zinc/07/67/66/1002076766.db2.gz TVDRKTLXWHDNIG-CYBMUJFWSA-N 0 0 354.397 2.800 20 10 FFCDRN C[C@H](NC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1)c1ccc(N(C)C)cc1 ZINC000773020156 1002127855 /nfs/dbraw/zinc/12/78/55/1002127855.db2.gz OIPAZQHNTXCJQE-HOCLYGCPSA-N 0 0 355.438 2.572 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@](C)(CO)Cc2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC001183144997 1002170256 /nfs/dbraw/zinc/17/02/56/1002170256.db2.gz FJZJTXCLKGJNPN-SFHVURJKSA-N 0 0 364.373 2.531 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3c[nH]c(C(=O)N4CCCC4)c3)ccc21 ZINC000746880356 1002284334 /nfs/dbraw/zinc/28/43/34/1002284334.db2.gz WPELYONFHPFQFL-UHFFFAOYSA-N 0 0 366.465 2.563 20 10 FFCDRN O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1c(F)ccc(O)c1O ZINC001183647666 1002335702 /nfs/dbraw/zinc/33/57/02/1002335702.db2.gz LVPJJJCUBRUTAZ-LBPRGKRZSA-N 0 0 359.275 2.719 20 10 FFCDRN C[C@H](NC(=O)N1CCC[C@H]1[C@@H]1CCCO1)c1ccc(N2CCOCC2)cc1 ZINC000790689763 1002461914 /nfs/dbraw/zinc/46/19/14/1002461914.db2.gz KKVVWXPBNLWBHF-VDGAXYAQSA-N 0 0 373.497 2.937 20 10 FFCDRN CC[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C(=O)OC ZINC000790682475 1002472539 /nfs/dbraw/zinc/47/25/39/1002472539.db2.gz ZKOPWFKMAMSYTD-WFASDCNBSA-N 0 0 370.396 2.572 20 10 FFCDRN Cn1ccnc1NC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccccc1O ZINC001184071553 1002478568 /nfs/dbraw/zinc/47/85/68/1002478568.db2.gz KUZAQQHWMBMUEL-CYBMUJFWSA-N 0 0 360.414 2.720 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC000790743988 1002479965 /nfs/dbraw/zinc/47/99/65/1002479965.db2.gz OHIBNCNJKPDOFA-YRNRMSPPSA-N 0 0 361.486 2.539 20 10 FFCDRN O=C(NCc1ccc(C(=O)Nc2cccnc2)cc1)c1cccc(O)c1O ZINC000790779504 1002486508 /nfs/dbraw/zinc/48/65/08/1002486508.db2.gz NOAPYMMXFFYTKZ-UHFFFAOYSA-N 0 0 363.373 2.675 20 10 FFCDRN C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)[C@H]1CNC(=O)OC(C)(C)C ZINC000790887750 1002507721 /nfs/dbraw/zinc/50/77/21/1002507721.db2.gz MPTRSVWVLYPFKU-OCCSQVGLSA-N 0 0 364.442 2.863 20 10 FFCDRN CC/C=C\CCN1CC2(C1)CN(Cc1ccc(N(C)C)cc1)C(=O)CO2 ZINC001276258843 1016637334 /nfs/dbraw/zinc/63/73/34/1016637334.db2.gz JIEYGVZJHRCEGD-WAYWQWQTSA-N 0 0 357.498 2.522 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N[C@H]3COc4ccccc4C3)ccc21 ZINC000746980913 1002587788 /nfs/dbraw/zinc/58/77/88/1002587788.db2.gz BHGAPMAULBUGHZ-GOSISDBHSA-N 0 0 351.450 2.872 20 10 FFCDRN Cc1cc(C(=O)NC2(CO)COC(C)(C)OC2)c(C)n1-c1cccc(C)c1 ZINC000791237668 1002614627 /nfs/dbraw/zinc/61/46/27/1002614627.db2.gz ROGPCWHQQOMZLA-UHFFFAOYSA-N 0 0 372.465 2.646 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cc(C)nn1C ZINC000791246758 1002622058 /nfs/dbraw/zinc/62/20/58/1002622058.db2.gz REVBEKKURRLZQF-UHFFFAOYSA-N 0 0 372.469 2.731 20 10 FFCDRN Cc1cccc(N2CC[C@@H](C(=O)NCc3c(C)cc(C)cc3O)C2=O)c1 ZINC001184639096 1002674209 /nfs/dbraw/zinc/67/42/09/1002674209.db2.gz YGKYRBWMRLDDQB-KRWDZBQOSA-N 0 0 352.434 2.987 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccnn3-c3ccccc3)CC2)cc1 ZINC000791452119 1002704112 /nfs/dbraw/zinc/70/41/12/1002704112.db2.gz ALQPWLWWHNDPBU-UHFFFAOYSA-N 0 0 362.433 2.843 20 10 FFCDRN Cc1cnn(CCOC(=O)c2cccc3c2C(=O)c2ccccc2C3=O)c1 ZINC000791493960 1002714574 /nfs/dbraw/zinc/71/45/74/1002714574.db2.gz KXUPFDSOARXAIH-UHFFFAOYSA-N 0 0 360.369 2.824 20 10 FFCDRN C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000103530143 1003102532 /nfs/dbraw/zinc/10/25/32/1003102532.db2.gz JQDDCXQPVBUAON-LBPRGKRZSA-N 0 0 352.390 2.705 20 10 FFCDRN CCOC(=O)c1cnc(Cl)c(F)c1NCC(=O)c1ccc(O)c(O)c1 ZINC001170314057 1003104831 /nfs/dbraw/zinc/10/48/31/1003104831.db2.gz LCVBTWYQSMAZJL-UHFFFAOYSA-N 0 0 368.748 2.757 20 10 FFCDRN O=C(CNc1cc(OCc2ccccc2)ncn1)c1ccc(O)c(O)c1 ZINC001170315623 1003106748 /nfs/dbraw/zinc/10/67/48/1003106748.db2.gz CTVVSJQGKBDYDJ-UHFFFAOYSA-N 0 0 351.362 2.762 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)c1 ZINC000103576279 1003149392 /nfs/dbraw/zinc/14/93/92/1003149392.db2.gz UOMROUQQGGMFNE-MRVPVSSYSA-N 0 0 371.315 2.991 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](C)CCc2ccc3c(c2)OCO3)c(O)c1 ZINC000792872869 1003215651 /nfs/dbraw/zinc/21/56/51/1003215651.db2.gz PBSZTXQYLWMBJM-ZDUSSCGKSA-N 0 0 372.421 2.950 20 10 FFCDRN COc1ccc(CNC(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)c(O)c1 ZINC000793105392 1003283023 /nfs/dbraw/zinc/28/30/23/1003283023.db2.gz BCBVGSWLZUIJMV-LBPRGKRZSA-N 0 0 372.421 2.732 20 10 FFCDRN CC[C@H](C)CC[C@H](O)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000793119493 1003285055 /nfs/dbraw/zinc/28/50/55/1003285055.db2.gz AGSRALLLVUWUGG-RDJZCZTQSA-N 0 0 366.477 2.856 20 10 FFCDRN CCN1CCOC[C@H]1C(=O)OCC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000775009307 1003289722 /nfs/dbraw/zinc/28/97/22/1003289722.db2.gz ODXGDMIABNBDTA-IBGZPJMESA-N 0 0 370.449 2.541 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NC[C@@H]2CCCN(C(C)=O)C2)cc1 ZINC000793211575 1003316135 /nfs/dbraw/zinc/31/61/35/1003316135.db2.gz BHBBTHAKBNLLOZ-IBGZPJMESA-N 0 0 374.529 2.933 20 10 FFCDRN COc1c(C(=O)NCc2ccc3c(c2)CCCN3C)cccc1[N+](=O)[O-] ZINC000793284358 1003325803 /nfs/dbraw/zinc/32/58/03/1003325803.db2.gz OFRLCOYHPGDYJM-UHFFFAOYSA-N 0 0 355.394 2.916 20 10 FFCDRN COC(=O)[C@@]1(F)CCN(C(=O)c2cc(-n3c(C)ccc3C)ccc2O)C1 ZINC001186831177 1003445908 /nfs/dbraw/zinc/44/59/08/1003445908.db2.gz XLTOUOGQWYZRHS-LJQANCHMSA-N 0 0 360.385 2.527 20 10 FFCDRN COC(=O)c1n[nH]c(C)c1NC(=O)c1cc(-n2c(C)ccc2C)ccc1O ZINC001186829813 1003446653 /nfs/dbraw/zinc/44/66/53/1003446653.db2.gz NPIGJHWBYQRNAL-UHFFFAOYSA-N 0 0 368.393 2.870 20 10 FFCDRN COc1ncnc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2O)c1OC ZINC001186829754 1003446845 /nfs/dbraw/zinc/44/68/45/1003446845.db2.gz MZQJSYYOAPJOML-UHFFFAOYSA-N 0 0 368.393 2.859 20 10 FFCDRN COC(=O)C(C)(C)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2[O-])C1 ZINC000775057720 1003458470 /nfs/dbraw/zinc/45/84/70/1003458470.db2.gz QGLWEFWQAYHNOC-CYBMUJFWSA-N 0 0 366.414 2.720 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1Cc2ccccc21 ZINC000793670812 1003459659 /nfs/dbraw/zinc/45/96/59/1003459659.db2.gz DJLGBSRFBSPSBY-QGZVFWFLSA-N 0 0 352.434 2.587 20 10 FFCDRN COc1cccc(CNC(=O)Cn2c(C)nc3cc(F)c(F)cc32)c1O ZINC000793689875 1003459773 /nfs/dbraw/zinc/45/97/73/1003459773.db2.gz PAZGCGDABXASOW-UHFFFAOYSA-N 0 0 361.348 2.654 20 10 FFCDRN COc1cccc(CNC(=O)[C@H]2N(C(=O)OC(C)(C)C)CC2(C)C)c1O ZINC000793682956 1003463715 /nfs/dbraw/zinc/46/37/15/1003463715.db2.gz URSKDLTVEAJCJJ-OAHLLOKOSA-N 0 0 364.442 2.663 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CC=CCC2)cc1 ZINC000793817996 1003506215 /nfs/dbraw/zinc/50/62/15/1003506215.db2.gz IRZNOQBSXMQWKB-KRWDZBQOSA-N 0 0 357.498 2.964 20 10 FFCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@H](O)[C@@H]1CCCO1 ZINC001187033876 1003547065 /nfs/dbraw/zinc/54/70/65/1003547065.db2.gz AVYLSGYYRRROCG-ROUUACIJSA-N 0 0 356.378 2.778 20 10 FFCDRN COc1ccc(CNC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)c(O)c1 ZINC000794377008 1003619917 /nfs/dbraw/zinc/61/99/17/1003619917.db2.gz OYJNEBBZLBDYGT-SFHVURJKSA-N 0 0 356.422 2.593 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(CSc3nccn3C)o2)c(O)c1 ZINC000794379817 1003620821 /nfs/dbraw/zinc/62/08/21/1003620821.db2.gz XGGAJZHGHLOMBU-UHFFFAOYSA-N 0 0 373.434 2.950 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H](C)c1nc(C)cs1 ZINC000804501564 1003695288 /nfs/dbraw/zinc/69/52/88/1003695288.db2.gz BWOHMGKNRMPQOO-AWEZNQCLSA-N 0 0 374.510 2.743 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3ccc(N(C)C)nc3)CC2)cc1 ZINC000102382635 1003724552 /nfs/dbraw/zinc/72/45/52/1003724552.db2.gz IQHYGDVGIKDZRU-UHFFFAOYSA-N 0 0 354.454 2.555 20 10 FFCDRN Cc1nnc(NCc2ccc(N3CCOCC3)cc2C(F)(F)F)nc1C ZINC000775450650 1003778177 /nfs/dbraw/zinc/77/81/77/1003778177.db2.gz QFSUJUSUWZCJDB-UHFFFAOYSA-N 0 0 367.375 2.956 20 10 FFCDRN Cc1cc(C(=O)Nc2cc(C(N)=O)n(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000747210407 1003802845 /nfs/dbraw/zinc/80/28/45/1003802845.db2.gz OILOQBJEJVMKNH-UHFFFAOYSA-N 0 0 354.385 2.923 20 10 FFCDRN COc1ncc(/C=C\C(=O)N2CCc3c2cccc3Br)cn1 ZINC001129917308 1003818192 /nfs/dbraw/zinc/81/81/92/1003818192.db2.gz WJCSZBVQILVRRU-WAYWQWQTSA-N 0 0 360.211 2.850 20 10 FFCDRN O=C(CNC(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc(O)c(O)c1 ZINC001191418469 1003819101 /nfs/dbraw/zinc/81/91/01/1003819101.db2.gz RKTUGSVUANTNGR-UHFFFAOYSA-N 0 0 369.295 2.652 20 10 FFCDRN CCOC1CC(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)C1 ZINC000805167348 1003957825 /nfs/dbraw/zinc/95/78/25/1003957825.db2.gz DFPGCQLKEQMOFF-CBHXASLJSA-N 0 0 364.461 2.871 20 10 FFCDRN COc1ccc(O)c(CN2CCO[C@H]([C@H](C)NC(=O)OC(C)(C)C)C2)c1 ZINC000775743318 1003960299 /nfs/dbraw/zinc/96/02/99/1003960299.db2.gz YBZATMFKWPPBAL-GUYCJALGSA-N 0 0 366.458 2.515 20 10 FFCDRN Cc1nnnn1-c1cccc(NC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c1 ZINC000775486491 1003967305 /nfs/dbraw/zinc/96/73/05/1003967305.db2.gz BXNNLQNRTCJRES-ZDUSSCGKSA-N 0 0 365.441 2.919 20 10 FFCDRN N#CN1CCN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC001197178791 1004096602 /nfs/dbraw/zinc/09/66/02/1004096602.db2.gz PQZZQCKHFKLMET-FMQUCBEESA-N 0 0 355.423 2.889 20 10 FFCDRN O=S(=O)(NC[C@H]1COCCO1)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197186772 1004099628 /nfs/dbraw/zinc/09/96/28/1004099628.db2.gz HRGDOPOVIGEBMR-QBNCKDSPSA-N 0 0 361.423 2.796 20 10 FFCDRN CN1CCN(S(=O)(=O)c2ccc(/N=N/c3ccccc3)cc2)CC1=O ZINC001197155257 1004104760 /nfs/dbraw/zinc/10/47/60/1004104760.db2.gz XNPHMAKQVFALRG-VHEBQXMUSA-N 0 0 358.423 2.565 20 10 FFCDRN COc1ncc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)cn1 ZINC000775780280 1004311632 /nfs/dbraw/zinc/31/16/32/1004311632.db2.gz RRXDCKBCJHHCTO-IZZDOVSWSA-N 0 0 352.438 2.756 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cncc(C)c1 ZINC000806492033 1004332709 /nfs/dbraw/zinc/33/27/09/1004332709.db2.gz BDHPTGGTBAUHRG-UHFFFAOYSA-N 0 0 355.438 2.541 20 10 FFCDRN COc1ccc(-c2cc(NC(=O)c3cc(O)c(O)c(OC)c3)n(C)n2)cc1 ZINC001193081599 1004364858 /nfs/dbraw/zinc/36/48/58/1004364858.db2.gz OIUVSQGSMCXPNY-UHFFFAOYSA-N 0 0 369.377 2.768 20 10 FFCDRN COc1cc(C(=O)Nc2ccc3nc(C(C)(C)C)nn3c2)cc(O)c1O ZINC001193088737 1004366910 /nfs/dbraw/zinc/36/69/10/1004366910.db2.gz IMUJOCZBWDIYOW-UHFFFAOYSA-N 0 0 356.382 2.699 20 10 FFCDRN COC(=O)C1(c2ccc(NC(=O)c3cc(O)c(O)c(OC)c3)cc2)CC1 ZINC001193103761 1004374346 /nfs/dbraw/zinc/37/43/46/1004374346.db2.gz AORWPWGHQBFBKO-UHFFFAOYSA-N 0 0 357.362 2.563 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cc4ccccn4n3)CC2)cc1F ZINC000806647894 1004383750 /nfs/dbraw/zinc/38/37/50/1004383750.db2.gz KROWLKTYEBJXJN-UHFFFAOYSA-N 0 0 369.400 2.836 20 10 FFCDRN CN(C)c1ccc(-c2nc(C(=O)Nc3c(N)cc[nH]c3=O)cs2)cc1 ZINC001193164118 1004396067 /nfs/dbraw/zinc/39/60/67/1004396067.db2.gz REUAISQAEPSYMO-UHFFFAOYSA-N 0 0 355.423 2.811 20 10 FFCDRN O=C(c1ccc(O)c(O)c1Cl)N1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001193232478 1004411855 /nfs/dbraw/zinc/41/18/55/1004411855.db2.gz LDGUCBLNCHHCHH-GFCCVEGCSA-N 0 0 360.788 2.697 20 10 FFCDRN CCOC(=O)[C@@H](CNC(=O)c1ccc(O)c(O)c1Cl)c1ccccc1 ZINC001193247169 1004418189 /nfs/dbraw/zinc/41/81/89/1004418189.db2.gz NLGHVIPRJAZHKG-ZDUSSCGKSA-N 0 0 363.797 2.828 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1 ZINC000806821116 1004429337 /nfs/dbraw/zinc/42/93/37/1004429337.db2.gz PQRNFUSPUVDCGD-GDBMZVCRSA-N 0 0 373.419 2.763 20 10 FFCDRN CC(=O)Nc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)c(Cl)c1 ZINC001193342493 1004456946 /nfs/dbraw/zinc/45/69/46/1004456946.db2.gz YOXCGTBAGZVJCY-UHFFFAOYSA-N 0 0 368.842 2.825 20 10 FFCDRN CC[C@H](c1ccncc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)cc1C ZINC000807098841 1004508431 /nfs/dbraw/zinc/50/84/31/1004508431.db2.gz ZOXVKNGZJFFDQR-LJQANCHMSA-N 0 0 368.481 2.682 20 10 FFCDRN C[C@]1(C(=O)NCCc2ccc(O)c(O)c2)CC(c2ccccc2Cl)=NO1 ZINC000807105572 1004510940 /nfs/dbraw/zinc/51/09/40/1004510940.db2.gz ALJFCONKZHRYOX-LJQANCHMSA-N 0 0 374.824 2.993 20 10 FFCDRN CC[C@H]1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000807166272 1004519691 /nfs/dbraw/zinc/51/96/91/1004519691.db2.gz CVOGRUIJWLUCCA-WMZOPIPTSA-N 0 0 355.482 2.764 20 10 FFCDRN O=C(c1cc(O)c([O-])c(Cl)c1)N1CC[C@H]2[C@H]1CC[N@@H+]2Cc1cccnc1 ZINC001193603600 1004537018 /nfs/dbraw/zinc/53/70/18/1004537018.db2.gz OZYJEUSGUNHGDR-JKSUJKDBSA-N 0 0 373.840 2.635 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000807289598 1004548959 /nfs/dbraw/zinc/54/89/59/1004548959.db2.gz BADCEUCQFFZXHT-GBESFXJTSA-N 0 0 367.493 2.764 20 10 FFCDRN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CC(C)(C)C1 ZINC000807291977 1004553439 /nfs/dbraw/zinc/55/34/39/1004553439.db2.gz RIRJSSUAUBCCQO-INIZCTEOSA-N 0 0 355.482 2.574 20 10 FFCDRN C[C@H](NCC(=O)N=c1cc[nH]n1[C@@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000775837428 1004565049 /nfs/dbraw/zinc/56/50/49/1004565049.db2.gz SPIOLOCFHJIOHP-GJZGRUSLSA-N 0 0 355.486 2.631 20 10 FFCDRN CCc1ccccc1CNC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1 ZINC000807365843 1004574654 /nfs/dbraw/zinc/57/46/54/1004574654.db2.gz XYQOGILPPAIOQY-UHFFFAOYSA-N 0 0 367.493 2.980 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1c(C)cccc1F ZINC000807516454 1004608677 /nfs/dbraw/zinc/60/86/77/1004608677.db2.gz DBKPMMSCUPUHHT-UHFFFAOYSA-N 0 0 371.456 2.865 20 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COCc1ccc(C(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)cc1F ZINC000869228531 1011683394 /nfs/dbraw/zinc/68/33/94/1011683394.db2.gz KVEWHFBLRVUWPD-MRXNPFEDSA-N 0 0 358.413 2.989 20 10 FFCDRN C[C@H](NC(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)c1ccccc1O ZINC000827981992 1032575078 /nfs/dbraw/zinc/57/50/78/1032575078.db2.gz KEIZWHOZKUXZOL-KKUMJFAQSA-N 0 0 355.438 2.892 20 10 FFCDRN CCc1cncc(C(=O)N2CCN(c3ccc(OC)cc3OC)CC2)c1 ZINC000870167639 1012233019 /nfs/dbraw/zinc/23/30/19/1012233019.db2.gz MUZZMSNAWBZSLG-UHFFFAOYSA-N 0 0 355.438 2.624 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnn(CC(C)C)c3)CC2)c(OC)c1 ZINC000870168114 1012234593 /nfs/dbraw/zinc/23/45/93/1012234593.db2.gz YQQOMTLXJSJHOR-UHFFFAOYSA-N 0 0 372.469 2.519 20 10 FFCDRN CCOc1ccc(N(CC)Cc2nc(-c3ccc(OC)nn3)no2)cc1 ZINC000828194215 1032620108 /nfs/dbraw/zinc/62/01/08/1032620108.db2.gz DLEFEURDNWLJCX-UHFFFAOYSA-N 0 0 355.398 2.960 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@]3(CC(C)C)CCNC3=O)C2)cc1 ZINC000870443131 1012378493 /nfs/dbraw/zinc/37/84/93/1012378493.db2.gz TYNFWDBKCTYQAA-IERDGZPVSA-N 0 0 374.481 2.617 20 10 FFCDRN C[C@H](NC(=O)CCC(=O)NC1CCCC1)c1ccc(N2CCOCC2)cc1 ZINC000123203762 1012478956 /nfs/dbraw/zinc/47/89/56/1012478956.db2.gz WBGZZGQVBGHFJV-INIZCTEOSA-N 0 0 373.497 2.539 20 10 FFCDRN C[C@H](NC(=O)NCc1cn(-c2ccccc2)nn1)c1ccc(N(C)C)cc1 ZINC000773374718 1012521947 /nfs/dbraw/zinc/52/19/47/1012521947.db2.gz MAZCPYRSPJIVDY-HNNXBMFYSA-N 0 0 364.453 2.894 20 10 FFCDRN CN(C)c1ccc(CN2CCC[C@]23CCN(CC(F)(F)F)C3=O)cc1 ZINC001275598704 1012670729 /nfs/dbraw/zinc/67/07/29/1012670729.db2.gz TZCOCKHFMMEMJN-QGZVFWFLSA-N 0 0 355.404 2.882 20 10 FFCDRN O=C(CCCOc1ccc2c(c1)CCC(=O)N2)N1Cc2cccc(O)c2C1 ZINC000871199272 1012780723 /nfs/dbraw/zinc/78/07/23/1012780723.db2.gz UTLTXSHYNSQYAI-UHFFFAOYSA-N 0 0 366.417 2.978 20 10 FFCDRN CC(C)[C@@H](C(=O)N1Cc2cccc(O)c2C1)n1nnc(-c2ccccc2)n1 ZINC000871200831 1012780803 /nfs/dbraw/zinc/78/08/03/1012780803.db2.gz JQEOAGJHTFFXJG-SFHVURJKSA-N 0 0 363.421 2.785 20 10 FFCDRN O=C([C@H]1CCCN1c1ncnc2ccccc21)N1Cc2cccc(O)c2C1 ZINC000871198632 1012781258 /nfs/dbraw/zinc/78/12/58/1012781258.db2.gz LGRMIUOOUOAZGA-GOSISDBHSA-N 0 0 360.417 2.847 20 10 FFCDRN CCC[C@H](NC(=O)Cc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871203108 1012783185 /nfs/dbraw/zinc/78/31/85/1012783185.db2.gz SNUMCXZYXZDGJW-SFHVURJKSA-N 0 0 352.434 2.762 20 10 FFCDRN CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2cccc(O)c2C1 ZINC000871208105 1012785036 /nfs/dbraw/zinc/78/50/36/1012785036.db2.gz XYXRVFVZLQHTAQ-KRWDZBQOSA-N 0 0 354.406 2.592 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(F)c(F)c2F)c1 ZINC000097550246 1012867572 /nfs/dbraw/zinc/86/75/72/1012867572.db2.gz KIFQVXXZBCIRKL-MRVPVSSYSA-N 0 0 368.311 2.634 20 10 FFCDRN COc1ccc(N2CCC(N3C(=O)N[C@H](CC=C(C)C)C3=O)CC2)cc1 ZINC000924578751 1017362132 /nfs/dbraw/zinc/36/21/32/1017362132.db2.gz QNTPHAYENFLVHV-GOSISDBHSA-N 0 0 357.454 2.941 20 10 FFCDRN CN(C(=O)CNC(=O)NCc1ccc(N2CCCC2)cc1)C1CCCCC1 ZINC000748664731 1017496176 /nfs/dbraw/zinc/49/61/76/1017496176.db2.gz NNLVYUAKAQZKQZ-UHFFFAOYSA-N 0 0 372.513 2.877 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1C[C@@H]2COC[C@]2(c2ccccc2)C1 ZINC000927249082 1018434897 /nfs/dbraw/zinc/43/48/97/1018434897.db2.gz WRXGKDGZDXNSAC-MFQWDCDGSA-N 0 0 351.402 2.538 20 10 FFCDRN CN(C)C(=O)N(C)[C@H]1CCN(Cc2ccc(N(C)C)cc2C(F)(F)F)C1 ZINC000827544701 1018439602 /nfs/dbraw/zinc/43/96/02/1018439602.db2.gz IIOLDXBLSIHCDA-HNNXBMFYSA-N 0 0 372.435 2.959 20 10 FFCDRN FC(F)Oc1ccc(N2CCC[C@@H](Nc3ccc4nncn4n3)C2)cc1 ZINC000827697156 1018618423 /nfs/dbraw/zinc/61/84/23/1018618423.db2.gz SZXCGODNJPHWEF-GFCCVEGCSA-N 0 0 360.368 2.807 20 10 FFCDRN COc1cccc(CNC(=O)c2cnc(F)c(Br)c2)c1O ZINC001137471756 1018627927 /nfs/dbraw/zinc/62/79/27/1018627927.db2.gz ZKWYFDXLCOPVGV-UHFFFAOYSA-N 0 0 355.163 2.627 20 10 FFCDRN C[C@@H]1CN(c2cccc(F)n2)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001042012257 1018924766 /nfs/dbraw/zinc/92/47/66/1018924766.db2.gz LVNNWXNZEWQSQW-BXUZGUMPSA-N 0 0 370.388 2.638 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)c2cccc(O)c2O)C(C)(C)C1 ZINC000801514315 1019061801 /nfs/dbraw/zinc/06/18/01/1019061801.db2.gz YPJBQEPSURKFAL-CQSZACIVSA-N 0 0 364.442 2.863 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000801548023 1019100578 /nfs/dbraw/zinc/10/05/78/1019100578.db2.gz JIITXHWXMPKVEU-IAGOWNOFSA-N 0 0 372.465 2.696 20 10 FFCDRN Cc1cc(C(=O)NC[C@]2(OC(C)C)CCOC2)c(C)n1-c1ccccn1 ZINC000928754810 1019120504 /nfs/dbraw/zinc/12/05/04/1019120504.db2.gz MMTPEKUHVFURQM-HXUWFJFHSA-N 0 0 357.454 2.803 20 10 FFCDRN COc1ccc(N2CCCN(c3nccn4c3nnc4C(C)C)CC2)cc1 ZINC000777734249 1019202728 /nfs/dbraw/zinc/20/27/28/1019202728.db2.gz ATGDDADUESCZKK-UHFFFAOYSA-N 0 0 366.469 2.973 20 10 FFCDRN COC(=O)CN(CCc1ccccc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000777748620 1019272680 /nfs/dbraw/zinc/27/26/80/1019272680.db2.gz WAZSJFQQAMZNHK-UHFFFAOYSA-N 0 0 359.397 2.952 20 10 FFCDRN C[C@@H](NC(=O)c1cnn(C(C)(C)C)c1)c1ccc(N2CCOCC2)cc1 ZINC000148498162 1019475755 /nfs/dbraw/zinc/47/57/55/1019475755.db2.gz ZZWXGYDFFIRXEZ-OAHLLOKOSA-N 0 0 356.470 2.966 20 10 FFCDRN Cc1nc(C2C[C@H]3CC[C@@H](C2)N3C(=O)/C=C/c2ccc(O)c(O)c2)no1 ZINC000828806413 1032846683 /nfs/dbraw/zinc/84/66/83/1032846683.db2.gz HDLRJSKOQSKASY-HMIZVVHKSA-N 0 0 355.394 2.740 20 10 FFCDRN CCc1noc(COCC(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC000930296642 1019968535 /nfs/dbraw/zinc/96/85/35/1019968535.db2.gz RHCLLRLOGADLAD-UHFFFAOYSA-N 0 0 360.458 2.652 20 10 FFCDRN C[C@@H]1C[C@@H]2C[C@@H]2C[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000930321724 1019978507 /nfs/dbraw/zinc/97/85/07/1019978507.db2.gz VHYLFKDDBGASMP-DRWJQLDWSA-N 0 0 369.509 2.687 20 10 FFCDRN O=C(C[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1ccc(N2CCOCC2)cc1 ZINC000930520751 1020067193 /nfs/dbraw/zinc/06/71/93/1020067193.db2.gz SVRUSWIGKQWXHT-JKSUJKDBSA-N 0 0 372.387 2.639 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)c2cc3c([nH]c2=O)CCOC3)cc1 ZINC000900025041 1020145831 /nfs/dbraw/zinc/14/58/31/1020145831.db2.gz APZOEXFPJNDDGJ-UHFFFAOYSA-N 0 0 369.465 2.978 20 10 FFCDRN C/C(=C/C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)CN1CCOCC1 ZINC000900125889 1020207960 /nfs/dbraw/zinc/20/79/60/1020207960.db2.gz ZDFBTTRJPXRZCI-VKAVYKQESA-N 0 0 357.498 2.522 20 10 FFCDRN CCN(CC)c1ccc(CNc2cccc(C(=O)NCC(=O)NC)c2)cc1 ZINC000800312938 1020208203 /nfs/dbraw/zinc/20/82/03/1020208203.db2.gz XKBSOYIKWXZEDE-UHFFFAOYSA-N 0 0 368.481 2.621 20 10 FFCDRN O=c1ccccn1C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000800313029 1020208214 /nfs/dbraw/zinc/20/82/14/1020208214.db2.gz AIMBALBMRSRXRE-GOSISDBHSA-N 0 0 365.389 2.993 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(OC(F)F)cc1F ZINC000802551157 1020218036 /nfs/dbraw/zinc/21/80/36/1020218036.db2.gz OKLRPZDWAUMCDG-UHFFFAOYSA-N 0 0 368.311 2.730 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2cccc(C(C)(F)F)c2)c1 ZINC000187402899 1020244243 /nfs/dbraw/zinc/24/42/43/1020244243.db2.gz KXFNMDXVRWFRFC-UHFFFAOYSA-N 0 0 364.348 2.767 20 10 FFCDRN Cc1cc(C(=O)CN2CCC(C)(CO)CC2)c(C)n1-c1ccc(F)cn1 ZINC000828876952 1032887642 /nfs/dbraw/zinc/88/76/42/1032887642.db2.gz JFLVVNXQSAPCKI-UHFFFAOYSA-N 0 0 359.445 2.905 20 10 FFCDRN COc1ccccc1[C@H](O)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000900254923 1020309459 /nfs/dbraw/zinc/30/94/59/1020309459.db2.gz ROKXOXHAIZVTQX-IBGZPJMESA-N 0 0 372.490 2.598 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C[C@H]2C(=O)Nc3c2cccc3F)cc1F ZINC000931146982 1020348032 /nfs/dbraw/zinc/34/80/32/1020348032.db2.gz NRPYEVNBYIKLCB-CYBMUJFWSA-N 0 0 359.376 2.773 20 10 FFCDRN C[C@@H](Cc1cccc(O)c1)NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000726238440 1020440348 /nfs/dbraw/zinc/44/03/48/1020440348.db2.gz SFJBKSCFHUGRGE-INIZCTEOSA-N 0 0 369.465 2.659 20 10 FFCDRN Cc1cc2c[nH]nc2c(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000726526917 1020480048 /nfs/dbraw/zinc/48/00/48/1020480048.db2.gz XRXMDZFQHDXPJM-UHFFFAOYSA-N 0 0 368.412 2.777 20 10 FFCDRN CCc1noc(CCCC(=O)NC2CCN(c3ccc(OC)cc3)CC2)n1 ZINC000726561914 1020484886 /nfs/dbraw/zinc/48/48/86/1020484886.db2.gz YZZDBJAPPCYMNH-UHFFFAOYSA-N 0 0 372.469 2.749 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cn(C)nc3C(C)C)CC2)cc1 ZINC000726561773 1020485252 /nfs/dbraw/zinc/48/52/52/1020485252.db2.gz RAXWCFROGYMTCW-UHFFFAOYSA-N 0 0 356.470 2.951 20 10 FFCDRN COC(=O)N1CCC[C@@H](NC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000726713018 1020511629 /nfs/dbraw/zinc/51/16/29/1020511629.db2.gz AKKATZBKLGFWAG-MRXNPFEDSA-N 0 0 374.485 2.657 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cc(C(F)F)n(C)n3)CC2)cc1 ZINC000931577844 1020520761 /nfs/dbraw/zinc/52/07/61/1020520761.db2.gz DXGNTTVHVIPWEX-UHFFFAOYSA-N 0 0 364.396 2.765 20 10 FFCDRN Cc1cc(C(=O)NCc2nc(N(C)C)no2)c(C)n1-c1ccccc1C ZINC000187413716 1020528173 /nfs/dbraw/zinc/52/81/73/1020528173.db2.gz TVJQYSMPGYCSRE-UHFFFAOYSA-N 0 0 353.426 2.782 20 10 FFCDRN Cc1cc(CCNC(=O)CSc2nncn2C)c(C)n1-c1ccccc1 ZINC000726933515 1020551859 /nfs/dbraw/zinc/55/18/59/1020551859.db2.gz PGGXGPBVYPPGOG-UHFFFAOYSA-N 0 0 369.494 2.674 20 10 FFCDRN Cc1ccc(C(=O)OCC(=O)N(Cc2ccccc2)C2CC2)c(O)c1O ZINC000727004949 1020570196 /nfs/dbraw/zinc/57/01/96/1020570196.db2.gz ZWQFAGATSDLGEG-UHFFFAOYSA-N 0 0 355.390 2.754 20 10 FFCDRN Cc1ccc(C(=O)OCC(=O)NC2C3CC4CC(C3)CC2C4)c(O)c1O ZINC000727005217 1020570249 /nfs/dbraw/zinc/57/02/49/1020570249.db2.gz KZMBUXAWVSYHDU-UHFFFAOYSA-N 0 0 359.422 2.504 20 10 FFCDRN Cc1ccc(C(=O)OCC(=O)N(C)[C@@H](C)c2ccc(F)cc2)c(O)c1O ZINC000727004527 1020570448 /nfs/dbraw/zinc/57/04/48/1020570448.db2.gz XAIRCSYALXZYKW-LBPRGKRZSA-N 0 0 361.369 2.922 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cc(=O)c2ccc(F)cc2o1 ZINC000803089808 1020612998 /nfs/dbraw/zinc/61/29/98/1020612998.db2.gz JSGYBOLAZYKHCH-SNVBAGLBSA-N 0 0 357.337 2.704 20 10 FFCDRN Cc1cc(COCC(=O)Nc2c(-c3ccccn3)nc3ccccn32)on1 ZINC000800911835 1020639087 /nfs/dbraw/zinc/63/90/87/1020639087.db2.gz LJGLLKHUQIJDBB-UHFFFAOYSA-N 0 0 363.377 2.848 20 10 FFCDRN COCC(=O)N1CCCc2ccc(NC(=O)NCc3ccccc3O)cc21 ZINC000903377416 1020814125 /nfs/dbraw/zinc/81/41/25/1020814125.db2.gz PIYPMYNALPMGEO-UHFFFAOYSA-N 0 0 369.421 2.640 20 10 FFCDRN O=C1c2cccc(O)c2C(=O)c2c(O[C@H]3CCNCC3(F)F)cccc21 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C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1CNC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC001331261389 1049537228 /nfs/dbraw/zinc/53/72/28/1049537228.db2.gz UPAQGYAVPYKLPV-DJABAAGCSA-N 0 0 357.498 2.957 20 10 FFCDRN Cc1cc(CC(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)c(C)n1-c1ccccc1 ZINC001294367433 1049735758 /nfs/dbraw/zinc/73/57/58/1049735758.db2.gz QCOITZRCQKONSX-UHFFFAOYSA-N 0 0 352.394 2.785 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)NC[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C1CC1 ZINC001294941553 1049846374 /nfs/dbraw/zinc/84/63/74/1049846374.db2.gz QOBPKCMKEOUAPC-HFBAOOFYSA-N 0 0 371.441 2.520 20 10 FFCDRN O=C1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000742393224 1049882982 /nfs/dbraw/zinc/88/29/82/1049882982.db2.gz XEHNLBPQGAJEJC-CGTJXYLNSA-N 0 0 367.405 2.547 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cnc(C)nc3CC)CC2)cc1 ZINC001295272708 1049912668 /nfs/dbraw/zinc/91/26/68/1049912668.db2.gz NIABPQPBEPXXDA-UHFFFAOYSA-N 0 0 354.454 2.709 20 10 FFCDRN C=CC(=O)NCc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 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CN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2ccc(Cl)cc2)CC1 ZINC001346044090 1052720396 /nfs/dbraw/zinc/72/03/96/1052720396.db2.gz MTBJPPRLFCSRLX-UHFFFAOYSA-N 0 0 372.852 2.852 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H]2CCC(F)(F)C2)cc1F ZINC001346629402 1053167795 /nfs/dbraw/zinc/16/77/95/1053167795.db2.gz CMUPHJZTTQUDDA-ZDUSSCGKSA-N 0 0 371.403 2.592 20 10 FFCDRN C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)NCc1ccc(N)cc1 ZINC001335736700 1053531215 /nfs/dbraw/zinc/53/12/15/1053531215.db2.gz GFQUOWMGHOLSQA-CYBMUJFWSA-N 0 0 361.467 2.575 20 10 FFCDRN CN(C)c1ccc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cc1 ZINC001335788076 1053565208 /nfs/dbraw/zinc/56/52/08/1053565208.db2.gz WFSNEWOIYQTIAH-UHFFFAOYSA-N 0 0 367.493 2.891 20 10 FFCDRN COCC[C@@H]1CCN(C(=O)c2ccnc3c2CC(=O)N3)c2ccccc21 ZINC001347662704 1054202832 /nfs/dbraw/zinc/20/28/32/1054202832.db2.gz YQCGSFZPTNNFMB-ZDUSSCGKSA-N 0 0 351.406 2.747 20 10 FFCDRN CC(C)c1nc2ccccn2c1NC(=O)C(=O)N1Cc2cccc(O)c2C1 ZINC001336867021 1054299844 /nfs/dbraw/zinc/29/98/44/1054299844.db2.gz HEVATOGHBIGFIU-UHFFFAOYSA-N 0 0 364.405 2.644 20 10 FFCDRN CC(C)(C)OC(=O)CCN(C(=O)C1=CC(=O)CS1)C1CCOCC1 ZINC001347805178 1054339049 /nfs/dbraw/zinc/33/90/49/1054339049.db2.gz IAJXQCIFLNYEIR-UHFFFAOYSA-N 0 0 355.456 2.807 20 10 FFCDRN COc1ccc(C2CC2)c(NC(=O)C(=O)NCc2c(O)cccc2F)c1 ZINC001337064967 1054452876 /nfs/dbraw/zinc/45/28/76/1054452876.db2.gz RYOXNTWRDSFVOG-UHFFFAOYSA-N 0 0 358.369 2.672 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)N(C)Cc2cccs2)C2CC2)cc1 ZINC001348142156 1054690985 /nfs/dbraw/zinc/69/09/85/1054690985.db2.gz NHBAWIFGGGWEBE-UHFFFAOYSA-N 0 0 371.506 2.964 20 10 FFCDRN CC[C@H](C)n1nccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001348477162 1054726039 /nfs/dbraw/zinc/72/60/39/1054726039.db2.gz VXQMLOJOCIHOKZ-AWEZNQCLSA-N 0 0 360.433 2.760 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001337415481 1054734316 /nfs/dbraw/zinc/73/43/16/1054734316.db2.gz XMDIXEBPHZZPFC-QXLXQBSBSA-N 0 0 366.417 2.532 20 10 FFCDRN CC1=CC(c2nnc(-c3ccc(S(=O)(=O)CC4CC4)cc3)o2)=S=C1 ZINC001348490281 1054736535 /nfs/dbraw/zinc/73/65/35/1054736535.db2.gz OVLGHXWCYNKBHA-UHFFFAOYSA-N 0 0 360.460 2.936 20 10 FFCDRN COc1cc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)ncn1 ZINC001543593990 1071505096 /nfs/dbraw/zinc/50/50/96/1071505096.db2.gz MVSAPYHOWRJCFR-UHFFFAOYSA-N 0 0 350.422 2.865 20 10 FFCDRN COC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)c(O)cc2C)n(C)c1 ZINC001337793999 1055020152 /nfs/dbraw/zinc/02/01/52/1055020152.db2.gz JUDWLMPWMWXUPM-UHFFFAOYSA-N 0 0 366.439 2.750 20 10 FFCDRN C/C(=C\c1ccncc1)C(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000847079130 1055045331 /nfs/dbraw/zinc/04/53/31/1055045331.db2.gz LPVOMJMUCWZAJT-GXDHUFHOSA-N 0 0 373.403 2.916 20 10 FFCDRN CC(C)(C)C(=O)NCc1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001349080051 1055080708 /nfs/dbraw/zinc/08/07/08/1055080708.db2.gz YCTGFAPDBOWAQM-UHFFFAOYSA-N 0 0 356.422 2.690 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2c[nH]cn2)n1C ZINC001338210469 1055326171 /nfs/dbraw/zinc/32/61/71/1055326171.db2.gz RULISPNMWJVGDA-UHFFFAOYSA-N 0 0 351.458 2.832 20 10 FFCDRN C[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)OCc1ccccc1 ZINC000848921718 1055367885 /nfs/dbraw/zinc/36/78/85/1055367885.db2.gz VTPQNMMRVNLKNS-MRXNPFEDSA-N 0 0 372.440 2.884 20 10 FFCDRN COc1c(C)cccc1CNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000847295853 1055411007 /nfs/dbraw/zinc/41/10/07/1055411007.db2.gz QFGPVFRRXKTTOZ-UHFFFAOYSA-N 0 0 369.465 2.840 20 10 FFCDRN C[C@H]1CN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC(C)(C)O1 ZINC001338588675 1055647806 /nfs/dbraw/zinc/64/78/06/1055647806.db2.gz MJLBCFIKIMVNPA-JTQLQIEISA-N 0 0 359.455 2.801 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@@H](C)Cc3ccccn3)C2)cc1 ZINC000847387153 1055670034 /nfs/dbraw/zinc/67/00/34/1055670034.db2.gz LVANVOJFOCKNEG-IRXDYDNUSA-N 0 0 368.481 2.847 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)Cc3ccccn3)C2)cc1 ZINC000847387152 1055670070 /nfs/dbraw/zinc/67/00/70/1055670070.db2.gz LVANVOJFOCKNEG-IAGOWNOFSA-N 0 0 368.481 2.847 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCC(C)(C)CC(F)F)c1ccc(N(C)C)cc1 ZINC001350418830 1055764046 /nfs/dbraw/zinc/76/40/46/1055764046.db2.gz VGGKGXLFCCYFNC-GFCCVEGCSA-N 0 0 355.429 2.727 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@]1(C)CC1(F)F ZINC001350592837 1055851048 /nfs/dbraw/zinc/85/10/48/1055851048.db2.gz RODRUFDXJBGVLE-SFHVURJKSA-N 0 0 367.440 2.651 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@@H]1CNc2ccccc21 ZINC001357338133 1055869530 /nfs/dbraw/zinc/86/95/30/1055869530.db2.gz OXXWDXOLCMAJJF-LJQANCHMSA-N 0 0 351.450 2.691 20 10 FFCDRN Cc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccc(N)cc3)C2)cc1C ZINC001357375375 1055883599 /nfs/dbraw/zinc/88/35/99/1055883599.db2.gz QXCLIBFVXCNHDZ-GOSISDBHSA-N 0 0 352.438 2.878 20 10 FFCDRN CCOC(=O)CCNC(=S)Nc1ccccc1C(=O)c1ccncc1 ZINC001200177090 1055952080 /nfs/dbraw/zinc/95/20/80/1055952080.db2.gz PFNHPTFNYWSJEV-UHFFFAOYSA-N 0 0 357.435 2.552 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)NC[C@@H]1CC2(CCC2)CO1 ZINC001353126316 1056093692 /nfs/dbraw/zinc/09/36/92/1056093692.db2.gz MEEVKMVOLBCDFY-LBPRGKRZSA-N 0 0 369.259 2.913 20 10 FFCDRN CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001351342300 1056209966 /nfs/dbraw/zinc/20/99/66/1056209966.db2.gz ISHPXRCGVSKASO-RBUKOAKNSA-N 0 0 368.481 2.808 20 10 FFCDRN CCN(c1nnc(C2Sc3ncccc3C2=O)n1C)[C@H]1CCCOC1 ZINC001351383919 1056236323 /nfs/dbraw/zinc/23/63/23/1056236323.db2.gz RMCDUXZWYMIIJQ-NSHDSACASA-N 0 0 359.455 2.803 20 10 FFCDRN COc1cc(OC)nc(C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)n1 ZINC001358370980 1056277777 /nfs/dbraw/zinc/27/77/77/1056277777.db2.gz GIVRJDKJFCEDMX-UHFFFAOYSA-N 0 0 358.442 2.611 20 10 FFCDRN CN(c1ccc(CNC(=O)CNC(=O)N2CCCC2)cc1)C1CCCCC1 ZINC001544252606 1071619298 /nfs/dbraw/zinc/61/92/98/1071619298.db2.gz KWEWCISFWVFGBR-UHFFFAOYSA-N 0 0 372.513 2.877 20 10 FFCDRN CC(=O)C1CCN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC1 ZINC001339380764 1056397986 /nfs/dbraw/zinc/39/79/86/1056397986.db2.gz GIVBOXZYWDPYND-UHFFFAOYSA-N 0 0 357.439 2.603 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cc(OC)cnc3F)C2)cc1 ZINC000847732974 1056486276 /nfs/dbraw/zinc/48/62/76/1056486276.db2.gz DOZMMPDZFUTUDY-CYBMUJFWSA-N 0 0 360.385 2.921 20 10 FFCDRN C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCc1ccc(N)cc1 ZINC001353540262 1056513045 /nfs/dbraw/zinc/51/30/45/1056513045.db2.gz SMGAOPDQFRUORM-UHFFFAOYSA-N 0 0 354.498 2.975 20 10 FFCDRN CCCN(C(=O)Cc1ccc(O)c(O)c1)[C@@H](C)C(=O)Nc1ccccc1 ZINC001544430396 1071643331 /nfs/dbraw/zinc/64/33/31/1071643331.db2.gz ALJPPPQUOYVKGG-AWEZNQCLSA-N 0 0 356.422 2.906 20 10 FFCDRN COc1ccccc1[C@@H]1C[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O ZINC000849365085 1056843260 /nfs/dbraw/zinc/84/32/60/1056843260.db2.gz HPQUTBRMCGECNN-JKSUJKDBSA-N 0 0 352.390 2.721 20 10 FFCDRN NC(=O)C1CCN(c2cccc(NC(=O)c3cccc4[nH]cnc43)c2)CC1 ZINC001444404846 1058303659 /nfs/dbraw/zinc/30/36/59/1058303659.db2.gz HKJFATQGRCOSLY-UHFFFAOYSA-N 0 0 363.421 2.517 20 10 FFCDRN CC[C@H](C)NC(=S)N1CCN(c2ccc(OCCOC)cc2)CC1 ZINC001200478610 1058318502 /nfs/dbraw/zinc/31/85/02/1058318502.db2.gz LCCRIDZIRBHBSG-HNNXBMFYSA-N 0 0 351.516 2.507 20 10 FFCDRN NC(=O)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccc(Cl)c1 ZINC001445229302 1058380707 /nfs/dbraw/zinc/38/07/07/1058380707.db2.gz CPPOAMTWJNSMFV-CQSZACIVSA-N 0 0 373.800 2.849 20 10 FFCDRN Cc1cnc2nc(C(=O)N(Cc3ccco3)Cc3ccccc3O)nn2c1 ZINC001545496399 1071792640 /nfs/dbraw/zinc/79/26/40/1071792640.db2.gz KAWXWBMRUPFNJN-UHFFFAOYSA-N 0 0 363.377 2.574 20 10 FFCDRN COc1cc(NC(=S)NCc2ncccc2O)c(OC)cc1Cl ZINC001200546468 1058529022 /nfs/dbraw/zinc/52/90/22/1058529022.db2.gz DXNDDYAYNXVCNA-UHFFFAOYSA-N 0 0 353.831 2.944 20 10 FFCDRN Cc1cc(C(=O)O[C@@H]2COC[C@H]2n2ccnn2)c(C)n1-c1ccccc1C ZINC000847989017 1058593592 /nfs/dbraw/zinc/59/35/92/1058593592.db2.gz RAVLITVBQMGCPO-RTBURBONSA-N 0 0 366.421 2.791 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)Cc2ccc(O)c(O)c2)C1 ZINC001447952845 1058723247 /nfs/dbraw/zinc/72/32/47/1058723247.db2.gz ANLBJTMKCHHQKH-KBPBESRZSA-N 0 0 364.442 2.592 20 10 FFCDRN COc1ccc(N2CCN(c3nnc(-c4ccco4)n3C)CC2)cc1F ZINC001519537641 1058805013 /nfs/dbraw/zinc/80/50/13/1058805013.db2.gz ZUCVACVKFMIHOY-UHFFFAOYSA-N 0 0 357.389 2.549 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cccnc1OCC(F)F ZINC001449127101 1058866893 /nfs/dbraw/zinc/86/68/93/1058866893.db2.gz WGRUHKQLENHTAD-UHFFFAOYSA-N 0 0 357.353 2.847 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)c2c([O-])cc(F)cc2F)[NH+](C)C)cc1 ZINC001472631036 1058919899 /nfs/dbraw/zinc/91/98/99/1058919899.db2.gz SOMYOCDPSSTFMQ-INIZCTEOSA-N 0 0 363.408 2.769 20 10 FFCDRN CCOCCN(C)c1nnc(CC)n1Cc1ccc2c(c1)CCCN2C ZINC001503191290 1058983059 /nfs/dbraw/zinc/98/30/59/1058983059.db2.gz GNGVTWLLIHUIIG-UHFFFAOYSA-N 0 0 357.502 2.744 20 10 FFCDRN O=C(Cc1cccc(OCc2cccnc2)c1)NCc1ccc(O)cc1O ZINC001451772253 1059142558 /nfs/dbraw/zinc/14/25/58/1059142558.db2.gz UTYVEGZONMQNEJ-UHFFFAOYSA-N 0 0 364.401 2.931 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2ncc(C)cn2)CCCC1 ZINC001452044825 1059176097 /nfs/dbraw/zinc/17/60/97/1059176097.db2.gz PDVYPXGVWDHUPK-UHFFFAOYSA-N 0 0 364.449 2.944 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccnc(CO)c2)cc1 ZINC001452619326 1059261829 /nfs/dbraw/zinc/26/18/29/1059261829.db2.gz ZDEXSVCIHBEFLL-UHFFFAOYSA-N 0 0 367.371 2.845 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3n[nH]c4c3C[C@@H](C)CC4)C2)cc1 ZINC001453219019 1059349788 /nfs/dbraw/zinc/34/97/88/1059349788.db2.gz RIBHMEPHHIWURO-KBPBESRZSA-N 0 0 354.454 2.552 20 10 FFCDRN COC[C@@H]1CCCN1NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001453691053 1059399422 /nfs/dbraw/zinc/39/94/22/1059399422.db2.gz CAHIFSZWWPJSHX-IBGZPJMESA-N 0 0 369.465 2.971 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCCC34OCCO4)ccc21 ZINC001453743649 1059404616 /nfs/dbraw/zinc/40/46/16/1059404616.db2.gz ZWVFKFGAIZBNCF-LJQANCHMSA-N 0 0 372.465 2.930 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCN(Cc3ccc(O)cc3)CC2)cc1 ZINC001454727834 1059619004 /nfs/dbraw/zinc/61/90/04/1059619004.db2.gz RRPVOLLMISVJJH-UHFFFAOYSA-N 0 0 367.409 2.513 20 10 FFCDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2cccc(O)c2O)cc1 ZINC001455318838 1059755264 /nfs/dbraw/zinc/75/52/64/1059755264.db2.gz PWDSBJOTNYKQNV-NSHDSACASA-N 0 0 360.435 2.853 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccnc4[nH]c(C)nc43)CC2)cc1 ZINC001355085847 1059873076 /nfs/dbraw/zinc/87/30/76/1059873076.db2.gz UYPOFFLCVXNHNI-UHFFFAOYSA-N 0 0 365.437 2.627 20 10 FFCDRN CC(C)C[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCOC1 ZINC001515952890 1059904966 /nfs/dbraw/zinc/90/49/66/1059904966.db2.gz HKZCBSAOOBXZCH-YJBOKZPZSA-N 0 0 374.485 2.736 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)C[C@H]3CCCO3)c2C)cc1 ZINC001455840525 1059930916 /nfs/dbraw/zinc/93/09/16/1059930916.db2.gz ALXWWWQPBWBEBF-QFBILLFUSA-N 0 0 372.465 2.763 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](c2nccn2C)c2ccc(F)c(F)c2)c(O)c1O ZINC001456921664 1060229352 /nfs/dbraw/zinc/22/93/52/1060229352.db2.gz BPCQVVGLHNCHEX-HNNXBMFYSA-N 0 0 373.359 2.937 20 10 FFCDRN CCOc1ccc(O)c(CNc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1 ZINC000848562226 1060280670 /nfs/dbraw/zinc/28/06/70/1060280670.db2.gz IUKPBRPFPYKHJT-HXUWFJFHSA-N 0 0 369.421 2.800 20 10 FFCDRN CCOc1ccc(CNc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c(O)c1 ZINC000848562541 1060282900 /nfs/dbraw/zinc/28/29/00/1060282900.db2.gz LBQVMBUJYUHJRU-HXUWFJFHSA-N 0 0 369.421 2.800 20 10 FFCDRN CN(C)c1ccc(Cn2c(-c3cnccn3)nnc2N(C)C2CC2)cc1F ZINC001516998230 1060296725 /nfs/dbraw/zinc/29/67/25/1060296725.db2.gz FFFHEIFEHNMSKC-UHFFFAOYSA-N 0 0 367.432 2.587 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1CCCCCO ZINC001517151025 1060372909 /nfs/dbraw/zinc/37/29/09/1060372909.db2.gz SZQLIKKGFTYBKO-QGZVFWFLSA-N 0 0 360.458 2.634 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)Cc3ccccn3)CC2)cc1F ZINC000848669505 1060425870 /nfs/dbraw/zinc/42/58/70/1060425870.db2.gz ANALJYUUIXUHDQ-HNNXBMFYSA-N 0 0 372.444 2.692 20 10 FFCDRN CCOC(=O)CCc1cc(N[C@H](C)Cc2ccc(O)c(O)c2)nc(C)n1 ZINC001458311744 1060562376 /nfs/dbraw/zinc/56/23/76/1060562376.db2.gz WWALCSHORTUHIU-GFCCVEGCSA-N 0 0 359.426 2.735 20 10 FFCDRN NC(=O)COc1cccc2c1CCCN2C(=O)/C=C\c1ccc(Cl)nc1 ZINC001526311094 1061075810 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COCCn1c(C2Sc3ncccc3C2=O)nnc1N1C[C@H](C)[C@@H](C)C1 ZINC001522743951 1062272685 /nfs/dbraw/zinc/27/26/85/1062272685.db2.gz JUCRAMXCVVOBHQ-RYUDHWBXSA-N 0 0 373.482 2.999 20 10 FFCDRN Cn1nnnc1-c1cccc(NC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001463879546 1062311366 /nfs/dbraw/zinc/31/13/66/1062311366.db2.gz HHCGIRJDYQMPAL-UHFFFAOYSA-N 0 0 367.390 2.755 20 10 FFCDRN Cc1cc(CC(=O)N2CC(=O)N(C)C[C@H]2C)c(C)n1-c1ccc(Cl)cc1 ZINC001522892278 1062321772 /nfs/dbraw/zinc/32/17/72/1062321772.db2.gz QOEFJYOJVPDQJR-CQSZACIVSA-N 0 0 373.884 2.979 20 10 FFCDRN COC(=O)c1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1C ZINC001435286295 1062437106 /nfs/dbraw/zinc/43/71/06/1062437106.db2.gz KEOOLXLSVVLNGU-UHFFFAOYSA-N 0 0 354.406 2.887 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)Nc2ccn(C)c(=O)n2)c1 ZINC001530847700 1062645703 /nfs/dbraw/zinc/64/57/03/1062645703.db2.gz YAFHNGRWMRGCEU-UHFFFAOYSA-N 0 0 356.813 2.928 20 10 FFCDRN O=S(=O)(NCc1c(O)cccc1F)c1cc(F)ccc1OC(F)F ZINC001464596854 1062705653 /nfs/dbraw/zinc/70/56/53/1062705653.db2.gz MDZCYNGQVSUZGC-UHFFFAOYSA-N 0 0 365.304 2.750 20 10 FFCDRN CCN(C(=O)c1ccc(N=NC(N)=O)cc1)c1ncc(C(=O)OC)s1 ZINC001465457488 1063103141 /nfs/dbraw/zinc/10/31/41/1063103141.db2.gz SLAPIZQDRWDNSD-UHFFFAOYSA-N 0 0 361.383 2.759 20 10 FFCDRN CCc1nnc(N(C)CC(C)C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001546415254 1063242112 /nfs/dbraw/zinc/24/21/12/1063242112.db2.gz XQESMZGGOVMJOB-UHFFFAOYSA-N 0 0 357.502 2.818 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3(c4cccnc4)CC3)CC2)cc1F ZINC001465930351 1063269023 /nfs/dbraw/zinc/26/90/23/1063269023.db2.gz OAWFENDJYZGUBN-UHFFFAOYSA-N 0 0 355.413 2.610 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC001440712089 1063343018 /nfs/dbraw/zinc/34/30/18/1063343018.db2.gz JRKLHCXDRODFBT-UHFFFAOYSA-N 0 0 352.438 2.932 20 10 FFCDRN COC(=O)c1cnc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1C ZINC001467406296 1063737556 /nfs/dbraw/zinc/73/75/56/1063737556.db2.gz QDNUNCMROJZOME-UHFFFAOYSA-N 0 0 370.409 2.674 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N(Cc1ccc(F)cc1)C1CCOCC1 ZINC001467787891 1063851996 /nfs/dbraw/zinc/85/19/96/1063851996.db2.gz XTYUKJUHJHNPDP-UHFFFAOYSA-N 0 0 359.397 2.987 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H]1CC(=O)c2ccccc2O1 ZINC001468744087 1064030421 /nfs/dbraw/zinc/03/04/21/1064030421.db2.gz PGBOUHNUFABHFS-QGZVFWFLSA-N 0 0 367.449 2.894 20 10 FFCDRN O=C(COc1ccc(Oc2ccccn2)cc1)NCc1ccc(O)cc1O ZINC001469158594 1064100590 /nfs/dbraw/zinc/10/05/90/1064100590.db2.gz CQNZCJQRPVMEQU-UHFFFAOYSA-N 0 0 366.373 2.980 20 10 FFCDRN CCN(CC(C)C)c1nc(CC(=O)NCc2ccc(O)cc2O)cs1 ZINC001469160392 1064100716 /nfs/dbraw/zinc/10/07/16/1064100716.db2.gz FIKIOVFRTOOGJQ-UHFFFAOYSA-N 0 0 363.483 2.896 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)CNC(=O)Cc2cccc3ccccc32)c1 ZINC001470255181 1064288874 /nfs/dbraw/zinc/28/88/74/1064288874.db2.gz RXCPHHAFVNSSFX-UHFFFAOYSA-N 0 0 362.429 2.829 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@]12CCC[C@H]1CN(C(=O)Cc1ccc(N)cc1)C2 ZINC001575225596 1078118784 /nfs/dbraw/zinc/11/87/84/1078118784.db2.gz CWBBUMIOJMGADC-KKSFZXQISA-N 0 0 373.497 2.965 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)[C@@H]1CCCN1C(=O)OCc1ccccc1 ZINC001471661340 1064749692 /nfs/dbraw/zinc/74/96/92/1064749692.db2.gz NVFTXSCUCLZTDO-KRWDZBQOSA-N 0 0 370.405 2.515 20 10 FFCDRN C[C@@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC001575297159 1078127053 /nfs/dbraw/zinc/12/70/53/1078127053.db2.gz FNCKKRRBLMBWMR-SNVBAGLBSA-N 0 0 372.816 2.786 20 10 FFCDRN O=C(CCCc1nc(-c2cccs2)no1)NCc1c(O)cccc1O ZINC001472063706 1064916104 /nfs/dbraw/zinc/91/61/04/1064916104.db2.gz NYLYCWUYHYZJPZ-UHFFFAOYSA-N 0 0 359.407 2.848 20 10 FFCDRN COC(=O)COc1ccc(N(C)C[C@H]2Cc3cc(OC)ccc3O2)cc1 ZINC001473372760 1065251656 /nfs/dbraw/zinc/25/16/56/1065251656.db2.gz FAJMLISWYACLMI-GOSISDBHSA-N 0 0 357.406 2.687 20 10 FFCDRN COC1CCN(c2ccc(CN3[C@H](C)C(=O)N(C)[C@@H](C)[C@H]3C)cc2)CC1 ZINC001473588965 1065290272 /nfs/dbraw/zinc/29/02/72/1065290272.db2.gz MFWAXYNIKGWTFX-GVDBMIGSSA-N 0 0 359.514 2.741 20 10 FFCDRN CS(=O)(=O)c1ccc(CNCc2ccc(N3CCSCC3)cc2)o1 ZINC001473938264 1065424356 /nfs/dbraw/zinc/42/43/56/1065424356.db2.gz CYTVGRLVEHMKML-UHFFFAOYSA-N 0 0 366.508 2.526 20 10 FFCDRN Cc1cnn(-c2ccc(C(N)=O)cc2NCc2cc(F)cc(F)c2O)c1 ZINC001474140723 1065462525 /nfs/dbraw/zinc/46/25/25/1065462525.db2.gz MYSOWQUGZMIQRG-UHFFFAOYSA-N 0 0 358.348 2.876 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)C[C@@H]2CC[C@@H](C3CC3)O2)cc1 ZINC001474852497 1065626301 /nfs/dbraw/zinc/62/63/01/1065626301.db2.gz QGBYXFKLXCYAMS-OALUTQOASA-N 0 0 366.527 2.910 20 10 FFCDRN C[C@@]1(C2CC2)CN(C(=O)c2csc(Cc3ccc(N)cc3)n2)CCO1 ZINC001576502254 1078236952 /nfs/dbraw/zinc/23/69/52/1078236952.db2.gz MJGKBAMWMSFZDI-IBGZPJMESA-N 0 0 357.479 2.957 20 10 FFCDRN CC[C@H]1CN(CC)CCN1C(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001577280406 1078330171 /nfs/dbraw/zinc/33/01/71/1078330171.db2.gz ZYCIFSHEAXSVPX-INIZCTEOSA-N 0 0 358.511 2.872 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NC1(Cc2cn[nH]n2)CCC1 ZINC001577338536 1078339938 /nfs/dbraw/zinc/33/99/38/1078339938.db2.gz KQJOVXIIHKKCHZ-HNNXBMFYSA-N 0 0 370.501 2.575 20 10 FFCDRN C[C@@H](Nc1ncc(Br)cc1-c1nn[nH]n1)c1ccccc1O ZINC001580309061 1078784428 /nfs/dbraw/zinc/78/44/28/1078784428.db2.gz XKKRPYPEQOYHFY-MRVPVSSYSA-N 0 0 361.203 2.903 20 10 FFCDRN Nc1ccc(CC(=O)N2CCCC[C@H]2COC(=O)N2CCCCC2)cc1 ZINC001580442857 1078805587 /nfs/dbraw/zinc/80/55/87/1078805587.db2.gz ICNDXJFNDIFFQP-SFHVURJKSA-N 0 0 359.470 2.815 20 10 FFCDRN O=C(CCSc1ncnc2[nH]cnc21)NCc1cc(Cl)ccc1O ZINC001583820950 1079270123 /nfs/dbraw/zinc/27/01/23/1079270123.db2.gz QSMSYFQSRPXZNK-UHFFFAOYSA-N 0 0 363.830 2.511 20 10 FFCDRN Cc1cc(C(=O)NCCc2c(C)[nH][nH]c2=O)c(C)n1-c1ccc(Cl)cc1 ZINC001585158947 1079432974 /nfs/dbraw/zinc/43/29/74/1079432974.db2.gz YIKIMVVOKQGPAG-INIZCTEOSA-N 0 0 372.856 2.989 20 10 FFCDRN CCCC[C@H](CC)C(=O)N[C@@H](Cc1ccc(O)c(O)c1)C(=O)OCC ZINC001556102069 1075700304 /nfs/dbraw/zinc/70/03/04/1075700304.db2.gz PUIQLJMFOTYLKW-GJZGRUSLSA-N 0 0 351.443 2.905 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N)c(OC(F)(F)F)c1 ZINC001556158264 1075710118 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O=C(NCc1c(O)cccc1F)c1cc([N+](=O)[O-])ncc1Br ZINC001559037320 1076119038 /nfs/dbraw/zinc/11/90/38/1076119038.db2.gz RKWLGEUUPARJQA-UHFFFAOYSA-N 0 0 370.134 2.527 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]Cc1cc[nH]n1 ZINC001560257959 1076256942 /nfs/dbraw/zinc/25/69/42/1076256942.db2.gz OOYSCZJFBGIMAM-UHFFFAOYSA-N 0 0 361.037 2.930 20 10 FFCDRN CCOC(=O)[C@@H](CC1CC1)NCc1ccc(OC)c(Cn2cccn2)c1 ZINC001560996485 1076317620 /nfs/dbraw/zinc/31/76/20/1076317620.db2.gz SPMHFNQURVZKKU-GOSISDBHSA-N 0 0 357.454 2.761 20 10 FFCDRN CNC(=O)c1c(C)[nH]nc1NCc1ccc(N(C)C)cc1C(F)(F)F ZINC001561048328 1076324395 /nfs/dbraw/zinc/32/43/95/1076324395.db2.gz RGPUHVMAQSZZFF-UHFFFAOYSA-N 0 0 355.364 2.775 20 10 FFCDRN CC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)ccc1F ZINC001561837806 1076431618 /nfs/dbraw/zinc/43/16/18/1076431618.db2.gz BRVCUGUKWQBKAD-JTQLQIEISA-N 0 0 352.387 2.529 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@@H]3C3OCCO3)cc2)CC1 ZINC001563974678 1076596924 /nfs/dbraw/zinc/59/69/24/1076596924.db2.gz 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COc1ccc(N2CCCN(C(=O)c3ccc4nccn4c3)CC2)cc1 ZINC000170871291 509823713 /nfs/dbraw/zinc/82/37/13/509823713.db2.gz DIHUJTCKWHFRMV-UHFFFAOYSA-N 0 0 350.422 2.695 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC3(C[C@@H]3C(=O)OC)CC2)c([N+](=O)[O-])c1 ZINC000265088700 509854718 /nfs/dbraw/zinc/85/47/18/509854718.db2.gz UCESKTBQLXAAFF-YVARQFDVSA-N 0 0 374.393 2.561 20 10 FFCDRN CCOC1CC(CCNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C1 ZINC000190065565 509918003 /nfs/dbraw/zinc/91/80/03/509918003.db2.gz CBDXHTDNRVDQBK-VMPITWQZSA-N 0 0 358.482 2.858 20 10 FFCDRN Cc1cccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)c1F ZINC000180421478 509919246 /nfs/dbraw/zinc/91/92/46/509919246.db2.gz QSYRKNIGQIDQRG-UHFFFAOYSA-N 0 0 355.413 2.989 20 10 FFCDRN COC(=O)CN(Cc1ccn(C(C)C)n1)Cc1cc(Cl)ccc1O ZINC000265314766 509985312 /nfs/dbraw/zinc/98/53/12/509985312.db2.gz GEMVGITYNNTXSG-UHFFFAOYSA-N 0 0 351.834 2.998 20 10 FFCDRN Cc1nnc2ccc(C(=O)N(Cc3ccccc3O)C[C@@H]3CCCO3)cn12 ZINC000265364228 510015064 /nfs/dbraw/zinc/01/50/64/510015064.db2.gz BIMDHFGPWPMXGV-KRWDZBQOSA-N 0 0 366.421 2.565 20 10 FFCDRN CC[C@@H](C)CC(=O)N1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000190232157 510017029 /nfs/dbraw/zinc/01/70/29/510017029.db2.gz XEBQSQDHYYXZSZ-CQSZACIVSA-N 0 0 350.459 2.797 20 10 FFCDRN O=C(CSc1nncs1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000265388569 510028075 /nfs/dbraw/zinc/02/80/75/510028075.db2.gz GZDHATZQWFQJTO-ZDUSSCGKSA-N 0 0 365.480 2.544 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1C(=O)N1CCCC1 ZINC000268628526 510043459 /nfs/dbraw/zinc/04/34/59/510043459.db2.gz VJIVGBZYGHHWFE-UHFFFAOYSA-N 0 0 369.421 2.698 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@H](c3nnc4n3CCCCC4)C2)c(O)c1O ZINC000177666212 510189550 /nfs/dbraw/zinc/18/95/50/510189550.db2.gz VKJXXCZGJZNHPH-AWEZNQCLSA-N 0 0 370.453 2.744 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)/C=C/c3ccccc3)cc2)CC1 ZINC000190586444 510224597 /nfs/dbraw/zinc/22/45/97/510224597.db2.gz XKRAEPJBUPYZJU-FMIVXFBMSA-N 0 0 363.461 2.685 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCO[C@@H](c3cccs3)C2)cc1 ZINC000177743894 510230013 /nfs/dbraw/zinc/23/00/13/510230013.db2.gz SHHAIPDZEVMNHX-GOSISDBHSA-N 0 0 373.522 2.846 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)Cc1ccccc1 ZINC000171590204 510241112 /nfs/dbraw/zinc/24/11/12/510241112.db2.gz CGHBRHOIPGUHLU-FQEVSTJZSA-N 0 0 353.466 2.690 20 10 FFCDRN C[C@@H](CCC(=O)NCc1ccccc1O)CC(=O)NCc1ccccc1O ZINC000269133219 510251362 /nfs/dbraw/zinc/25/13/62/510251362.db2.gz IUWVUWLALKYPMZ-HNNXBMFYSA-N 0 0 370.449 2.837 20 10 FFCDRN COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(N)cc2)C(C)C)c1 ZINC000269136506 510253644 /nfs/dbraw/zinc/25/36/44/510253644.db2.gz QZJNKVUIKJHCOX-SFHVURJKSA-N 0 0 371.437 2.679 20 10 FFCDRN O=C(/C=C/c1ccncn1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000184315656 510256413 /nfs/dbraw/zinc/25/64/13/510256413.db2.gz VILVLXGLORJHPM-GZTQLTBSSA-N 0 0 374.391 2.876 20 10 FFCDRN C[C@@H]1OCC[C@@H]1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000184320745 510261334 /nfs/dbraw/zinc/26/13/34/510261334.db2.gz UBYNBYNKTDJSSB-YJBOKZPZSA-N 0 0 352.500 2.616 20 10 FFCDRN COc1cccc(OC)c1OC1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000269245363 510306457 /nfs/dbraw/zinc/30/64/57/510306457.db2.gz JTJQMOZWVFLRHK-UHFFFAOYSA-N 0 0 370.449 2.899 20 10 FFCDRN COc1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc([N+](=O)[O-])c1OC ZINC000266094631 510406434 /nfs/dbraw/zinc/40/64/34/510406434.db2.gz RIGBWEQHBBIPHO-UHFFFAOYSA-N 0 0 373.409 2.950 20 10 FFCDRN CCN(C)C(=O)[C@@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000187852237 510469369 /nfs/dbraw/zinc/46/93/69/510469369.db2.gz PLVXLVHHIVMWOX-MRXNPFEDSA-N 0 0 360.502 2.685 20 10 FFCDRN C[C@]1(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCCC[C@@H]1O ZINC000178306056 510538265 /nfs/dbraw/zinc/53/82/65/510538265.db2.gz XYRPKXIITUKDKN-HAYVOWPYSA-N 0 0 358.482 2.594 20 10 FFCDRN Cc1cc(C(=O)NCC2(CS(C)(=O)=O)CC2)c(C)n1-c1ccccc1 ZINC000178377212 510573963 /nfs/dbraw/zinc/57/39/63/510573963.db2.gz KOTWTOJRJWYLTI-UHFFFAOYSA-N 0 0 360.479 2.649 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCCCc3ccccn3)CC2)cc1 ZINC000178410566 510590149 /nfs/dbraw/zinc/59/01/49/510590149.db2.gz UMMHNKBSCINAIH-UHFFFAOYSA-N 0 0 368.481 2.945 20 10 FFCDRN C[C@]1(C(=O)NCc2ccccc2O)CCCN(C(=O)c2ccccc2)C1 ZINC000266482741 510614592 /nfs/dbraw/zinc/61/45/92/510614592.db2.gz COPRLOQKSLJFIT-NRFANRHFSA-N 0 0 352.434 2.951 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@H](CC(N)=O)C3)cc2)CC1 ZINC000175486171 510663913 /nfs/dbraw/zinc/66/39/13/510663913.db2.gz BZQOSLHNGBNHEU-GOSISDBHSA-N 0 0 372.513 2.720 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(O)cc1F ZINC000181986456 510693207 /nfs/dbraw/zinc/69/32/07/510693207.db2.gz AKWXBUOAVKNOGQ-UHFFFAOYSA-N 0 0 358.413 2.670 20 10 FFCDRN CC(=O)NC1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000266754280 510767759 /nfs/dbraw/zinc/76/77/59/510767759.db2.gz NMICBVOGLVCPFD-UHFFFAOYSA-N 0 0 359.470 2.518 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC2CCC(NC(C)=O)CC2)cc1 ZINC000263648950 510768203 /nfs/dbraw/zinc/76/82/03/510768203.db2.gz CMZUPEPCCXRVMR-UHFFFAOYSA-N 0 0 360.502 2.779 20 10 FFCDRN C[C@@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000185341825 510815520 /nfs/dbraw/zinc/81/55/20/510815520.db2.gz SBHGWLRBELGUIY-LLVKDONJSA-N 0 0 360.285 2.514 20 10 FFCDRN CCOc1cccc(C[NH2+][C@H]2CCN(Cc3ccc(F)cc3)C2=O)c1O ZINC000191769680 510821674 /nfs/dbraw/zinc/82/16/74/510821674.db2.gz NTHTWCAMQMZEHE-KRWDZBQOSA-N 0 0 358.413 2.821 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCO[C@@H]2c2nccn2C)cc1 ZINC000275362627 510884712 /nfs/dbraw/zinc/88/47/12/510884712.db2.gz JRVOFOUNWQEPCA-ROUUACIJSA-N 0 0 371.485 2.596 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCc3ccc(N)cc3)C2)cc1 ZINC000297307269 510897076 /nfs/dbraw/zinc/89/70/76/510897076.db2.gz VXPRTGSMULKOGQ-SFHVURJKSA-N 0 0 351.450 2.746 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccccc1COC1CCOCC1 ZINC000270532907 510898983 /nfs/dbraw/zinc/89/89/83/510898983.db2.gz GCFLQRCFJJPJMC-UHFFFAOYSA-N 0 0 371.433 2.766 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](O)C[C@@H]2c2nc(C)no2)c(C)n1-c1ccccc1 ZINC000275450091 510900578 /nfs/dbraw/zinc/90/05/78/510900578.db2.gz SUIBISFGRYSITI-SJLPKXTDSA-N 0 0 366.421 2.734 20 10 FFCDRN COc1ccc(CCCC(=O)NCCc2ccc(O)c(O)c2)c(OC)c1 ZINC000270551214 510903960 /nfs/dbraw/zinc/90/39/60/510903960.db2.gz OSPGUTMVEAORLV-UHFFFAOYSA-N 0 0 359.422 2.797 20 10 FFCDRN Cc1nccn1CC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000297364724 510917871 /nfs/dbraw/zinc/91/78/71/510917871.db2.gz ISLDCCVTJLMJTF-AWEZNQCLSA-N 0 0 364.396 2.578 20 10 FFCDRN COc1cc(N2CCN(Cc3ccc(F)cn3)CC2)cc(OC)c1OC ZINC000276241964 510930793 /nfs/dbraw/zinc/93/07/93/510930793.db2.gz OOFMKHBBHFOZIL-UHFFFAOYSA-N 0 0 361.417 2.569 20 10 FFCDRN CC[C@@H](N[C@H](C(N)=O)c1ccccn1)c1cc(Br)ccc1O ZINC000297428709 510942111 /nfs/dbraw/zinc/94/21/11/510942111.db2.gz VDBLPHQDMBGLBN-DOMZBBRYSA-N 0 0 364.243 2.817 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCn3cnnc3[C@H]2C)cc1F ZINC000276618890 510942747 /nfs/dbraw/zinc/94/27/47/510942747.db2.gz SQIXDOWJBUDWAC-CYBMUJFWSA-N 0 0 360.437 2.550 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000276752987 510945955 /nfs/dbraw/zinc/94/59/55/510945955.db2.gz MTKUDIAOVRJITJ-LJQANCHMSA-N 0 0 351.450 2.931 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)CCOCC(F)F)cc2F)C[C@H](C)O1 ZINC000276922248 510949515 /nfs/dbraw/zinc/94/95/15/510949515.db2.gz QEMYVWVDDKHAPS-STQMWFEESA-N 0 0 374.403 2.727 20 10 FFCDRN CCc1nnc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)[nH]1 ZINC000297461287 510953897 /nfs/dbraw/zinc/95/38/97/510953897.db2.gz CJQJIRRFKWHJRA-UHFFFAOYSA-N 0 0 356.474 2.699 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@H]1CCCc2c[nH]nc21 ZINC000277246681 510957304 /nfs/dbraw/zinc/95/73/04/510957304.db2.gz HQZOHDJLVMDFSU-ZDUSSCGKSA-N 0 0 360.801 2.611 20 10 FFCDRN CC1(C)[C@@H]2OCC[C@H]2[C@H]1N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277447242 510963040 /nfs/dbraw/zinc/96/30/40/510963040.db2.gz RBONQDQGZRPNNU-APHBMKBZSA-N 0 0 364.829 2.623 20 10 FFCDRN Cn1c(-c2ccccc2)cnc1SCc1nnnn1CC1CCOCC1 ZINC000277457132 510963326 /nfs/dbraw/zinc/96/33/26/510963326.db2.gz INSGWYBNOXAAAF-UHFFFAOYSA-N 0 0 370.482 2.793 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CC[S@](=O)C[C@H](C)C1 ZINC000277535621 510965962 /nfs/dbraw/zinc/96/59/62/510965962.db2.gz LTZUMZMJKUFSQV-SPSFWMDKSA-N 0 0 350.509 2.996 20 10 FFCDRN CN(c1ccc(CN2C(=O)[C@H]3[C@@H](O)CCCN3C2=O)cc1)C1CCCCC1 ZINC000277931515 510976468 /nfs/dbraw/zinc/97/64/68/510976468.db2.gz QTPKOSMRRGZRMW-RBUKOAKNSA-N 0 0 371.481 2.743 20 10 FFCDRN COc1ccc(CS(C)(=O)=O)cc1NCc1cccc(OC)c1O ZINC000285629760 510986083 /nfs/dbraw/zinc/98/60/83/510986083.db2.gz XCUADJAKCZWCIO-UHFFFAOYSA-N 0 0 351.424 2.566 20 10 FFCDRN COc1c(O)c(CN2CCO[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278238704 510986728 /nfs/dbraw/zinc/98/67/28/510986728.db2.gz NQFTXOVEIANMMM-AWEZNQCLSA-N 0 0 350.396 2.944 20 10 FFCDRN Cn1ncc(Br)c1/C=C1\SC(N2CCCCC2)=NC1=O ZINC000278282866 510988456 /nfs/dbraw/zinc/98/84/56/510988456.db2.gz QBYKMTMTBMKBSF-XFFZJAGNSA-N 0 0 355.261 2.639 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H]1CCCC12CCOCC2 ZINC000282464986 510988954 /nfs/dbraw/zinc/98/89/54/510988954.db2.gz HNGTYSVWCGIJBY-IBGZPJMESA-N 0 0 373.497 2.672 20 10 FFCDRN C[C@@H]([NH2+]CCn1cc(Br)cn1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000285705156 511014021 /nfs/dbraw/zinc/01/40/21/511014021.db2.gz PCLWYTCJOBTJEE-SECBINFHSA-N 0 0 355.192 2.610 20 10 FFCDRN COc1cc(N2CCN(C(=O)c3c(C)coc3C)CC2)cc(OC)c1OC ZINC000286138423 511020112 /nfs/dbraw/zinc/02/01/12/511020112.db2.gz RABSGAIFBGWFLF-UHFFFAOYSA-N 0 0 374.437 2.885 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnn(CCF)c2)cc1 ZINC000286917464 511036122 /nfs/dbraw/zinc/03/61/22/511036122.db2.gz AWVRETRHBABIQX-LJQANCHMSA-N 0 0 374.460 2.740 20 10 FFCDRN CC[C@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1[O-] ZINC000287529814 511052168 /nfs/dbraw/zinc/05/21/68/511052168.db2.gz DPRUMNPMGUCUSE-INIZCTEOSA-N 0 0 368.886 2.976 20 10 FFCDRN Cc1nnc([C@@H](C)NC(=O)NCc2ccc(N3CCC(C)CC3)cc2)[nH]1 ZINC000287622594 511054571 /nfs/dbraw/zinc/05/45/71/511054571.db2.gz IMZUZZMJMXMNPB-CQSZACIVSA-N 0 0 356.474 2.910 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)[C@H]1CCCCO1 ZINC000287796870 511057982 /nfs/dbraw/zinc/05/79/82/511057982.db2.gz OGXKMVCLBYOEBL-MAUKXSAKSA-N 0 0 362.470 2.595 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCN(c3nc(C)cs3)CC2)cc1OC ZINC000271035904 511064410 /nfs/dbraw/zinc/06/44/10/511064410.db2.gz LTQBUORMRQJBAV-UHFFFAOYSA-N 0 0 364.427 2.704 20 10 FFCDRN COC(=O)Cc1occ(C)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000289473336 511101606 /nfs/dbraw/zinc/10/16/06/511101606.db2.gz ICWVQHFPUCHGEN-UHFFFAOYSA-N 0 0 356.422 2.834 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@](O)(C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000289780370 511114766 /nfs/dbraw/zinc/11/47/66/511114766.db2.gz ROOPFKYHARKYTP-AWEZNQCLSA-N 0 0 364.320 2.588 20 10 FFCDRN C[C@@]1(C[C@@H]2CCC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[O-])NC(=O)NC1=O ZINC000289953990 511121426 /nfs/dbraw/zinc/12/14/26/511121426.db2.gz YWRUTGYCSKUVCN-ZBEGNZNMSA-N 0 0 372.252 2.652 20 10 FFCDRN CC(C)N(Cc1cccs1)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271220971 511126409 /nfs/dbraw/zinc/12/64/09/511126409.db2.gz GCHKSOSZEQCTGN-UHFFFAOYSA-N 0 0 368.480 2.876 20 10 FFCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)[C@H]1[C@H]1CCCO1 ZINC000290780421 511149766 /nfs/dbraw/zinc/14/97/66/511149766.db2.gz NAWHNVVBSMQCOO-MOPGFXCFSA-N 0 0 373.497 2.622 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CC=CC2)cc1)[C@@H](O)c1ccccc1 ZINC000290890375 511152931 /nfs/dbraw/zinc/15/29/31/511152931.db2.gz BPQBJGKMDVRLFE-OXJNMPFZSA-N 0 0 351.450 2.984 20 10 FFCDRN CCn1cnc2c1ncnc2N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000271297180 511154579 /nfs/dbraw/zinc/15/45/79/511154579.db2.gz BHTSWQUGBWLGIU-HNNXBMFYSA-N 0 0 353.426 2.737 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1C[C@@H](C)S(=O)(=O)[C@@H](C)C1 ZINC000291379476 511175266 /nfs/dbraw/zinc/17/52/66/511175266.db2.gz WTRAKZXBEUKYLG-OKILXGFUSA-N 0 0 366.508 2.803 20 10 FFCDRN COC(=O)c1cccc(NC2CCN(C(=O)c3cccc(O)c3O)CC2)c1 ZINC000279693303 511179608 /nfs/dbraw/zinc/17/96/08/511179608.db2.gz BWTDZEPYFOFHBP-UHFFFAOYSA-N 0 0 370.405 2.601 20 10 FFCDRN COc1ccc([C@H](OC)[C@H](C)NC(=O)NCc2cccc(OC)c2O)cc1 ZINC000271370812 511180988 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ZINC000162884360 728950561 /nfs/dbraw/zinc/95/05/61/728950561.db2.gz ORWOZIUGAOSZQD-UHFFFAOYSA-N 0 0 360.479 2.743 20 10 FFCDRN O=C(NCCCSc1nccs1)c1ccccc1N1CCOCC1 ZINC000172198002 729021589 /nfs/dbraw/zinc/02/15/89/729021589.db2.gz YVNGLAUQWIHJGQ-UHFFFAOYSA-N 0 0 363.508 2.892 20 10 FFCDRN C[C@@H](N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1)C(F)(F)F ZINC000175142582 729088506 /nfs/dbraw/zinc/08/85/06/729088506.db2.gz IQICGBGEWFLYNT-CYBMUJFWSA-N 0 0 358.408 2.531 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cncc(O)c1 ZINC000175844942 729102536 /nfs/dbraw/zinc/10/25/36/729102536.db2.gz SUNHBDQBDYTDAG-UHFFFAOYSA-N 0 0 351.200 2.918 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCn1cnc([N+](=O)[O-])n1 ZINC000176686275 729117433 /nfs/dbraw/zinc/11/74/33/729117433.db2.gz XOZXVCJZIFYWJZ-UHFFFAOYSA-N 0 0 361.383 2.512 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCCc2cccc(F)c2)c1 ZINC000778785698 738411657 /nfs/dbraw/zinc/41/16/57/738411657.db2.gz YDZGGNSXVKPPGU-UHFFFAOYSA-N 0 0 367.398 2.692 20 10 FFCDRN CN(C)C(=O)Nc1ccc(C(=O)NCc2ccc(O)c(O)c2)c(Cl)c1 ZINC000778919076 738420999 /nfs/dbraw/zinc/42/09/99/738420999.db2.gz ZWFLTNSACMJOJA-UHFFFAOYSA-N 0 0 363.801 2.775 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3scnc3Cl)CC2)cc1F ZINC000753742670 736090597 /nfs/dbraw/zinc/09/05/97/736090597.db2.gz WEERVFIFLJEQBU-UHFFFAOYSA-N 0 0 355.822 2.907 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)OCCCS(=O)(=O)N(C)C ZINC000184794942 729333273 /nfs/dbraw/zinc/33/32/73/729333273.db2.gz ZWKDTALPBOODIA-UHFFFAOYSA-N 0 0 370.496 2.594 20 10 FFCDRN CSc1nn(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c(=O)[n-]1 ZINC000188175047 729385131 /nfs/dbraw/zinc/38/51/31/729385131.db2.gz RSIUSYYFQGYUHR-UHFFFAOYSA-N 0 0 360.414 2.723 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000924520932 738425521 /nfs/dbraw/zinc/42/55/21/738425521.db2.gz VSFSQXLQVPXJEP-PWSUYJOCSA-N 0 0 352.740 2.955 20 10 FFCDRN Cc1nnsc1C(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000194778470 729520090 /nfs/dbraw/zinc/52/00/90/729520090.db2.gz LUKIQIPICJFHCL-INIZCTEOSA-N 0 0 360.483 2.734 20 10 FFCDRN CO[C@@H](C)CC(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000195373922 729536908 /nfs/dbraw/zinc/53/69/08/729536908.db2.gz IUSVDMBNWYFENS-LBPRGKRZSA-N 0 0 360.376 2.583 20 10 FFCDRN CCN(CC)c1ccc(CN2CC[C@H](OC)C[C@H]2C(=O)OC)cc1F ZINC000779143340 738439766 /nfs/dbraw/zinc/43/97/66/738439766.db2.gz GKPHZMCDGROOHN-YJBOKZPZSA-N 0 0 352.450 2.824 20 10 FFCDRN Cc1csc([C@H](C)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000856213738 730316247 /nfs/dbraw/zinc/31/62/47/730316247.db2.gz VRUWZNNPRAVZEO-CQSZACIVSA-N 0 0 359.495 2.833 20 10 FFCDRN Oc1cccc(Br)c1CNCc1nnc2n1CCCCC2 ZINC000858088289 730416214 /nfs/dbraw/zinc/41/62/14/730416214.db2.gz XYRDNWVYQUNINL-UHFFFAOYSA-N 0 0 351.248 2.762 20 10 FFCDRN O=c1ccc([C@@H]2OCC[C@H]2[NH2+]Cc2cccc(Br)c2[O-])c[nH]1 ZINC000858289439 730421951 /nfs/dbraw/zinc/42/19/51/730421951.db2.gz LMNFWBOJNAAELH-CJNGLKHVSA-N 0 0 365.227 2.875 20 10 FFCDRN C[C@H]([NH2+][C@H](CO)c1ccnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000858434720 730425665 /nfs/dbraw/zinc/42/56/65/730425665.db2.gz NOOHHDWGCLNIJS-QPUJVOFHSA-N 0 0 374.666 2.926 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2c(C(F)(F)F)cnn2C)c1 ZINC000858452905 730426067 /nfs/dbraw/zinc/42/60/67/730426067.db2.gz PILSXTCPMUKOHL-SECBINFHSA-N 0 0 357.332 2.782 20 10 FFCDRN Cc1oc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1S(C)(=O)=O ZINC000858453303 730426224 /nfs/dbraw/zinc/42/62/24/730426224.db2.gz UWRRORLRLLLIIF-UHFFFAOYSA-N 0 0 362.451 2.522 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)C12CC(C1)C2 ZINC000858578551 730429120 /nfs/dbraw/zinc/42/91/20/730429120.db2.gz VLXBZSVLSXWQQS-UHFFFAOYSA-N 0 0 354.372 2.958 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)S4)C2)cc1 ZINC000858598515 730429536 /nfs/dbraw/zinc/42/95/36/730429536.db2.gz FNKLKRPRYRPBNS-QGTPRVQTSA-N 0 0 361.511 2.953 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ocnc1C(F)F ZINC000858626088 730430357 /nfs/dbraw/zinc/43/03/57/730430357.db2.gz OFPQNXSIAUMHLP-UHFFFAOYSA-N 0 0 355.316 2.518 20 10 FFCDRN C[C@@H](NC(=O)c1ocnc1C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000858787035 730433786 /nfs/dbraw/zinc/43/37/86/730433786.db2.gz WUTNFYZYSWMAIF-LLVKDONJSA-N 0 0 351.353 2.940 20 10 FFCDRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779547975 738470043 /nfs/dbraw/zinc/47/00/43/738470043.db2.gz ZIMPAPPUOZAPOS-XYLWRLHESA-N 0 0 350.415 2.531 20 10 FFCDRN CCO[C@@H](CS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000859192625 730444744 /nfs/dbraw/zinc/44/47/44/730444744.db2.gz YDCXRTZVSDMBNR-KXBFYZLASA-N 0 0 368.543 2.727 20 10 FFCDRN CCO[C@H](CS(=O)(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000859192623 730444757 /nfs/dbraw/zinc/44/47/57/730444757.db2.gz YDCXRTZVSDMBNR-DNVCBOLYSA-N 0 0 368.543 2.727 20 10 FFCDRN Cc1cnn(C)c1S(=O)(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC000859363283 730452061 /nfs/dbraw/zinc/45/20/61/730452061.db2.gz VAPOCCRNBNPKTI-UHFFFAOYSA-N 0 0 358.467 2.615 20 10 FFCDRN CSC[C@@](C)(O)CNC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000859508244 730456879 /nfs/dbraw/zinc/45/68/79/730456879.db2.gz WZCDVTNVLHRFTI-IBGZPJMESA-N 0 0 360.479 2.750 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(CCO)CC(F)F)c1 ZINC000861457872 730614568 /nfs/dbraw/zinc/61/45/68/730614568.db2.gz DDBPPEVNPHPPHO-UHFFFAOYSA-N 0 0 350.365 2.606 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)[C@@H]2C[C@]2(C)Br)cc1 ZINC000862128171 730668793 /nfs/dbraw/zinc/66/87/93/730668793.db2.gz AODQJVBRRANLNW-HOCLYGCPSA-N 0 0 355.276 2.763 20 10 FFCDRN COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1c(O)cccc1Br ZINC000862338219 730689890 /nfs/dbraw/zinc/68/98/90/730689890.db2.gz MYUCPDFFDVPHND-HFAKWTLXSA-N 0 0 354.244 2.928 20 10 FFCDRN CC[C@@H]1CN(Cc2c(O)cccc2Br)C[C@H](C)S1(=O)=O ZINC000862366467 730692335 /nfs/dbraw/zinc/69/23/35/730692335.db2.gz ITYGSXLNQWBOAB-WDEREUQCSA-N 0 0 362.289 2.552 20 10 FFCDRN COC(=O)c1conc1C(C)(C)NCc1c(O)cccc1Br ZINC000862398757 730697148 /nfs/dbraw/zinc/69/71/48/730697148.db2.gz FAODSAFYZNCYCS-UHFFFAOYSA-N 0 0 369.215 2.954 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1CCCN(CC(F)F)C1 ZINC000864863825 730886335 /nfs/dbraw/zinc/88/63/35/730886335.db2.gz XDQLAVIZGUMXJD-INIZCTEOSA-N 0 0 351.441 2.880 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1C[C@H]1C1CCOCC1 ZINC000865336205 730943294 /nfs/dbraw/zinc/94/32/94/730943294.db2.gz DHQDKFHSBUHCKZ-LSDHHAIUSA-N 0 0 364.829 2.625 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1(OC)CCSC1 ZINC000925353360 738498601 /nfs/dbraw/zinc/49/86/01/738498601.db2.gz WAROZWOOWFILQF-SFHVURJKSA-N 0 0 351.516 2.806 20 10 FFCDRN Cc1nocc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000866138665 731033877 /nfs/dbraw/zinc/03/38/77/731033877.db2.gz NKZFISMRIOQGRG-GFCCVEGCSA-N 0 0 351.353 2.983 20 10 FFCDRN C[C@H]([NH2+]C1CN(c2ccncn2)C1)c1cc(Br)cc(F)c1[O-] ZINC000866496122 731067197 /nfs/dbraw/zinc/06/71/97/731067197.db2.gz LXONMGWWWOFJOP-VIFPVBQESA-N 0 0 367.222 2.623 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)CCC(C)(F)F)CC2)cc1 ZINC000866563240 731074318 /nfs/dbraw/zinc/07/43/18/731074318.db2.gz ZVTSBPWYIUWUFD-UHFFFAOYSA-N 0 0 362.442 2.582 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2c(C(F)F)nc3n2CCCC3)c1 ZINC000866767283 731097106 /nfs/dbraw/zinc/09/71/06/731097106.db2.gz OOVUGWMJIMOYQL-UHFFFAOYSA-N 0 0 351.353 2.801 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2)c1ccccc1O ZINC000867834995 731232113 /nfs/dbraw/zinc/23/21/13/731232113.db2.gz YRDPXTSXSNHCFB-LLVKDONJSA-N 0 0 360.435 2.661 20 10 FFCDRN C[C@H](NC(=O)N[C@@H]1C[C@H]1C(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000868148787 731263862 /nfs/dbraw/zinc/26/38/62/731263862.db2.gz KVTSYSKRHGMMIH-NILFDRSVSA-N 0 0 357.376 2.834 20 10 FFCDRN COc1ccc(/C=C2\SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)cn1 ZINC000780143540 738521911 /nfs/dbraw/zinc/52/19/11/738521911.db2.gz OHKNEFXQYZSJDW-JYRVWZFOSA-N 0 0 371.443 2.595 20 10 FFCDRN CC1(C)CO[C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1 ZINC000871905134 731698603 /nfs/dbraw/zinc/69/86/03/731698603.db2.gz UEECESZCGDOQSK-ZDUSSCGKSA-N 0 0 352.818 2.625 20 10 FFCDRN Cc1nccnc1[C@@H](C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000871914030 731700276 /nfs/dbraw/zinc/70/02/76/731700276.db2.gz IILTUKLMXFCBSO-LLVKDONJSA-N 0 0 360.801 2.669 20 10 FFCDRN CC(=O)C(=O)COC(=O)C1(c2cc(Cl)cc(Br)c2)CC1 ZINC000873438364 731915223 /nfs/dbraw/zinc/91/52/23/731915223.db2.gz KCFJOVQRRBRNHQ-UHFFFAOYSA-N 0 0 359.603 2.835 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC(F)(F)CC1 ZINC000875141925 732130835 /nfs/dbraw/zinc/13/08/35/732130835.db2.gz YUZOZOISEBSGKR-UHFFFAOYSA-N 0 0 353.413 2.854 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cnc2ncc(Br)cc2c1 ZINC000780935155 738589725 /nfs/dbraw/zinc/58/97/25/738589725.db2.gz FPROJBLMJOINEL-UHFFFAOYSA-N 0 0 374.194 2.734 20 10 FFCDRN Cc1nn(C)c(C)c1[C@H](NC(=O)c1ccc(C)c(O)c1O)C(F)(F)F ZINC000780954325 738590306 /nfs/dbraw/zinc/59/03/06/738590306.db2.gz DDVKCSDAHRQKOD-AWEZNQCLSA-N 0 0 357.332 2.790 20 10 FFCDRN COc1cc(Br)cc(CN2CCCC[C@@H]2CNC(C)=O)c1O ZINC000877675152 732410075 /nfs/dbraw/zinc/41/00/75/732410075.db2.gz QFRHYRKIEWAUGR-CQSZACIVSA-N 0 0 371.275 2.654 20 10 FFCDRN COc1ccc(N2CCN(Cc3cnc([C@H](C)O)s3)CC2)c(OC)c1 ZINC000877708618 732417675 /nfs/dbraw/zinc/41/76/75/732417675.db2.gz QNWIAVVRVHCTBM-ZDUSSCGKSA-N 0 0 363.483 2.536 20 10 FFCDRN COc1cc(O)c(CNCc2ncc(Br)s2)cc1OC ZINC000877767124 732426379 /nfs/dbraw/zinc/42/63/79/732426379.db2.gz WNOPFSSDNWFFMS-UHFFFAOYSA-N 0 0 359.245 2.918 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1csc(C(N)=O)c1 ZINC000879743078 732759921 /nfs/dbraw/zinc/75/99/21/732759921.db2.gz QDISNPMCLAMVQE-GFCCVEGCSA-N 0 0 360.483 2.974 20 10 FFCDRN C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000879774198 732765954 /nfs/dbraw/zinc/76/59/54/732765954.db2.gz FKIJHHBIKAMKEC-OTYXRUKQSA-N 0 0 364.243 2.860 20 10 FFCDRN Cc1cc(C(=O)Cn2cc([C@@H](C)O)nn2)c(C)n1-c1ccc(Cl)cn1 ZINC000881351055 733043253 /nfs/dbraw/zinc/04/32/53/733043253.db2.gz MASVHBXTMAAHCN-GFCCVEGCSA-N 0 0 359.817 2.670 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)CC[C@H]2CC2(Cl)Cl)cc1 ZINC000881761197 733102336 /nfs/dbraw/zinc/10/23/36/733102336.db2.gz OFKVIEUIGKCYDG-LBPRGKRZSA-N 0 0 351.299 2.756 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])C(=O)NCc1ccco1 ZINC000882992755 733319118 /nfs/dbraw/zinc/31/91/18/733319118.db2.gz LTDYWRRNZLVQSR-VIFPVBQESA-N 0 0 371.206 2.681 20 10 FFCDRN CCS(=O)(=O)C[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000882995548 733319599 /nfs/dbraw/zinc/31/95/99/733319599.db2.gz CHFLKPOSZIOEIF-QMMMGPOBSA-N 0 0 370.696 2.721 20 10 FFCDRN Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cc(F)cc(F)c2[O-])cc1 ZINC000883091537 733331633 /nfs/dbraw/zinc/33/16/33/733331633.db2.gz PVSGRLBDNACBKR-LBPRGKRZSA-N 0 0 355.406 2.931 20 10 FFCDRN C[NH+]1CCN(c2ccc(CNC(=O)NCC[C@@H]3CCCS3)cc2)CC1 ZINC000883802332 733441717 /nfs/dbraw/zinc/44/17/17/733441717.db2.gz YKBDGTQLBPWXFP-SFHVURJKSA-N 0 0 362.543 2.523 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1ccns1 ZINC000884897825 733588482 /nfs/dbraw/zinc/58/84/82/733588482.db2.gz QJJGKQLIAMKBBX-UHFFFAOYSA-N 0 0 351.497 2.954 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H](CO)C[C@@H]1CCCO1 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C[C@@H]1C[C@@H](NC(=O)NCc2cc(Br)ccc2O)C[C@H](C)O1 ZINC000805247584 740953576 /nfs/dbraw/zinc/95/35/76/740953576.db2.gz DBJUDSVQEZPVFA-DDFAGTSDSA-N 0 0 357.248 2.910 20 10 FFCDRN COC(=O)[C@@H](OC(=O)C1=CC(=O)CS1)c1cc(OC)cc(OC)c1 ZINC000767344378 737316869 /nfs/dbraw/zinc/31/68/69/737316869.db2.gz FZIOSJINKWNPCG-AWEZNQCLSA-N 0 0 352.364 2.542 20 10 FFCDRN COc1cc(OC)cc(S(=O)(=O)NCCCSc2nccs2)c1 ZINC000767840972 737374968 /nfs/dbraw/zinc/37/49/68/737374968.db2.gz NYHGECLMQVLBNX-UHFFFAOYSA-N 0 0 374.509 2.621 20 10 FFCDRN CCS[C@H](C)c1noc(CN(C)Cc2cc3c(cc2O)OC[C@@H]3O)n1 ZINC000768463352 737424435 /nfs/dbraw/zinc/42/44/35/737424435.db2.gz RYYJYFLLKSOSFT-YGRLFVJLSA-N 0 0 365.455 2.647 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@H]1CCOC2(CCOCC2)C1 ZINC000769145042 737501200 /nfs/dbraw/zinc/50/12/00/737501200.db2.gz RJDYAKQWKDCZFJ-ZDUSSCGKSA-N 0 0 371.528 2.653 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCn2cccc2C1 ZINC000914201160 737527096 /nfs/dbraw/zinc/52/70/96/737527096.db2.gz 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COC(=O)[C@H](CC(C)C)N(C)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000814177426 741801273 /nfs/dbraw/zinc/80/12/73/741801273.db2.gz BMZAGGXCXGGSDJ-SFHVURJKSA-N 0 0 352.450 2.682 20 10 FFCDRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773001552 737862658 /nfs/dbraw/zinc/86/26/58/737862658.db2.gz UTKJTOJZEWXUTR-CQSZACIVSA-N 0 0 360.479 2.956 20 10 FFCDRN C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)c(F)cc1[O-] ZINC000774384869 737985997 /nfs/dbraw/zinc/98/59/97/737985997.db2.gz REMBRTNQDKZCBX-NSHDSACASA-N 0 0 373.266 2.809 20 10 FFCDRN COc1c([O-])c(C[NH2+]CCOc2ccc(F)cc2F)ccc1[N+](=O)[O-] ZINC000775017482 738053376 /nfs/dbraw/zinc/05/33/76/738053376.db2.gz RTUKUIHKEPXLLU-UHFFFAOYSA-N 0 0 354.309 2.756 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)ccc1[N+](=O)[O-] ZINC000775049138 738056984 /nfs/dbraw/zinc/05/69/84/738056984.db2.gz WUVCXSZSECYCTF-GMXABZIVSA-N 0 0 356.469 2.778 20 10 FFCDRN COC(=O)[C@@H]1C[C@@H](C)CCN1Cc1cc(Br)cc(OC)c1O ZINC000776002472 738151314 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COCc1ncsc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000785955407 739014168 /nfs/dbraw/zinc/01/41/68/739014168.db2.gz JOSNCQZKAIYIJQ-CYBMUJFWSA-N 0 0 361.467 2.617 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCC[C@H](OC)C(F)(F)F)c1 ZINC000786850087 739082150 /nfs/dbraw/zinc/08/21/50/739082150.db2.gz JJBPALHYJKSSGZ-ZANVPECISA-N 0 0 350.337 2.728 20 10 FFCDRN Cc1cc(Cl)cc(CN2CCN3C(=O)N(CC(C)C)C[C@H]3C2)c1O ZINC000787288845 739123506 /nfs/dbraw/zinc/12/35/06/739123506.db2.gz NUSWVVPSSFGORY-MRXNPFEDSA-N 0 0 351.878 2.932 20 10 FFCDRN C[C@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)[C@@H](C)S(C)(=O)=O ZINC000788264956 739225585 /nfs/dbraw/zinc/22/55/85/739225585.db2.gz DACZCPKDQODOMB-JKSUJKDBSA-N 0 0 366.527 2.705 20 10 FFCDRN NC(=O)CN1CCc2ccc(NCc3c(O)ccc(Cl)c3F)cc2C1 ZINC000788528344 739255313 /nfs/dbraw/zinc/25/53/13/739255313.db2.gz AEKYIAJTRBWFGK-UHFFFAOYSA-N 0 0 363.820 2.640 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)c(Cl)n1 ZINC000788612031 739263261 /nfs/dbraw/zinc/26/32/61/739263261.db2.gz 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ZINC000790107560 739419526 /nfs/dbraw/zinc/41/95/26/739419526.db2.gz IFHBTPRYSVBDGK-SDNWHVSQSA-N 0 0 357.460 2.929 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccc(OC(F)F)c(F)c1 ZINC000790381674 739445600 /nfs/dbraw/zinc/44/56/00/739445600.db2.gz AIXOTVLXJDHVPZ-UHFFFAOYSA-N 0 0 361.341 2.953 20 10 FFCDRN O=C(NCCc1ccc(Br)cc1F)c1cccc(O)c1O ZINC000790668047 739483650 /nfs/dbraw/zinc/48/36/50/739483650.db2.gz JGTFRVXLMPDISN-UHFFFAOYSA-N 0 0 354.175 2.972 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000932982384 739549008 /nfs/dbraw/zinc/54/90/08/739549008.db2.gz JEGQOGBGBUVABU-CABZTGNLSA-N 0 0 352.740 2.812 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000792164935 739645111 /nfs/dbraw/zinc/64/51/11/739645111.db2.gz KUDVZYMXZVBFRX-SNVBAGLBSA-N 0 0 353.435 2.626 20 10 FFCDRN C[C@@H]1[C@H](C)N(Cc2ccc(N(C)C)cc2C(F)(F)F)CCS1(=O)=O ZINC000792829214 739711076 /nfs/dbraw/zinc/71/10/76/739711076.db2.gz PKMNNIOGQIHZHL-NWDGAFQWSA-N 0 0 364.433 2.779 20 10 FFCDRN CN(C)c1ccc(CN2CCN3C(=O)OCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000792840347 739711656 /nfs/dbraw/zinc/71/16/56/739711656.db2.gz GNFQHCDJUMVUSJ-AWEZNQCLSA-N 0 0 357.376 2.798 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@@H](O)[C@H](F)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000934568383 739807213 /nfs/dbraw/zinc/80/72/13/739807213.db2.gz VMHSZIVLOWPKOL-HZPDHXFCSA-N 0 0 365.836 2.730 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)/C=C\c1cn(C)cn1 ZINC000934721891 739826728 /nfs/dbraw/zinc/82/67/28/739826728.db2.gz PMDDAMFPCJKSRN-ALCCZGGFSA-N 0 0 364.243 2.950 20 10 FFCDRN C[C@H]1CCCC[C@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000793938956 739828125 /nfs/dbraw/zinc/82/81/25/739828125.db2.gz VXRLYBGRHRZEIM-STQMWFEESA-N 0 0 355.529 2.684 20 10 FFCDRN COc1ccc(CNC(=O)c2cnn(-c3cccc(Cl)c3)n2)c(O)c1 ZINC000794381743 739885352 /nfs/dbraw/zinc/88/53/52/739885352.db2.gz SPURQEJPEBBUFR-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000795348588 740007933 /nfs/dbraw/zinc/00/79/33/740007933.db2.gz 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/nfs/dbraw/zinc/32/41/54/740324154.db2.gz ISZXLSHMRQNFBJ-UHFFFAOYSA-N 0 0 365.252 2.719 20 10 FFCDRN CO[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)[C@@H](C)C1 ZINC000799364889 740412965 /nfs/dbraw/zinc/41/29/65/740412965.db2.gz PQVVGMCBYLHSJI-YJBOKZPZSA-N 0 0 363.527 2.949 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cn2c(n1)CCCC2 ZINC000799562837 740429226 /nfs/dbraw/zinc/42/92/26/740429226.db2.gz DYVHITPFIQYWAB-UHFFFAOYSA-N 0 0 356.495 2.703 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H](CCO)Cc1ccccc1 ZINC000799603503 740432305 /nfs/dbraw/zinc/43/23/05/740432305.db2.gz RPIYGHUNLRBCKC-HNNXBMFYSA-N 0 0 365.524 2.918 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CC(=O)N(C)C3)cc2Cl)C1 ZINC000799995423 740470885 /nfs/dbraw/zinc/47/08/85/740470885.db2.gz JNKALQRGMFDSHZ-CYBMUJFWSA-N 0 0 364.877 2.517 20 10 FFCDRN COC(=O)N(C)CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800049793 740478250 /nfs/dbraw/zinc/47/82/50/740478250.db2.gz WCJZRXANLUHRKT-ZDUSSCGKSA-N 0 0 367.877 2.891 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCC(=O)NC3)cc2Cl)C1 ZINC000800049092 740478299 /nfs/dbraw/zinc/47/82/99/740478299.db2.gz MFFQFRKZFRRPEF-UKRRQHHQSA-N 0 0 363.889 2.719 20 10 FFCDRN Cc1cc(C(=O)N(C)CCOCCO)c(C)n1-c1cccc(Cl)c1 ZINC000800687123 740541912 /nfs/dbraw/zinc/54/19/12/740541912.db2.gz KRHILTGIZDUMIS-UHFFFAOYSA-N 0 0 350.846 2.828 20 10 FFCDRN COCCCn1nccc1/C=C1/SC(=S)N(c2cccnc2)C1=O ZINC000801647202 740638954 /nfs/dbraw/zinc/63/89/54/740638954.db2.gz FQUWRSNSBDEJJW-GXDHUFHOSA-N 0 0 360.464 2.720 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000802778696 740729963 /nfs/dbraw/zinc/72/99/63/740729963.db2.gz IAMFYZGPRYEGAE-OAHLLOKOSA-N 0 0 355.312 2.509 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)C(F)(F)C1(O)CCCC1 ZINC000803213819 740775751 /nfs/dbraw/zinc/77/57/51/740775751.db2.gz XFILTAIDKJUVIY-UHFFFAOYSA-N 0 0 364.186 2.711 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1ccnn1CC1CC1 ZINC000804240057 740856328 /nfs/dbraw/zinc/85/63/28/740856328.db2.gz SFWCZDHZZRJBTI-UHFFFAOYSA-N 0 0 360.801 2.621 20 10 FFCDRN C[C@@]12CCN(c3cc4c(cc3[N+](=O)[O-])OCC(=O)N4)C[C@@H]1C2(Cl)Cl ZINC000804705806 740898172 /nfs/dbraw/zinc/89/81/72/740898172.db2.gz NRNZCJJBELSPBR-GXTWGEPZSA-N 0 0 372.208 2.946 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1ccccc1-n1ccnn1 ZINC000804732960 740900346 /nfs/dbraw/zinc/90/03/46/740900346.db2.gz GOFUBRYAERMAEK-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN COc1cc(C)cnc1C(=O)NCc1cc(Br)ccc1O ZINC000804735393 740900727 /nfs/dbraw/zinc/90/07/27/740900727.db2.gz XBPZLWYSBMHKTL-UHFFFAOYSA-N 0 0 351.200 2.797 20 10 FFCDRN Cc1nn(CC(=O)NCc2cc(Br)ccc2O)c(C)c1Cl ZINC000804737312 740901346 /nfs/dbraw/zinc/90/13/46/740901346.db2.gz OFGSHMZRNZLTLP-UHFFFAOYSA-N 0 0 372.650 2.938 20 10 FFCDRN Nc1cc(NCc2cc(Br)ccc2O)cc(CO)c1[N+](=O)[O-] ZINC000804827061 740908180 /nfs/dbraw/zinc/90/81/80/740908180.db2.gz GGJXUXKMBOEQEU-UHFFFAOYSA-N 0 0 368.187 2.750 20 10 FFCDRN CS(=O)(=O)c1cccnc1NCc1cc(Br)ccc1O ZINC000804828403 740908282 /nfs/dbraw/zinc/90/82/82/740908282.db2.gz PJPNJMGLUMFTGZ-UHFFFAOYSA-N 0 0 357.229 2.565 20 10 FFCDRN Cc1ccc(CCNC(=O)NCc2cc(Br)ccc2O)cn1 ZINC000805101592 740938549 /nfs/dbraw/zinc/93/85/49/740938549.db2.gz YSDCDKOVVCDEFP-UHFFFAOYSA-N 0 0 364.243 2.900 20 10 FFCDRN CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2O)C[C@H](C)S1(=O)=O ZINC000805772706 741006562 /nfs/dbraw/zinc/00/65/62/741006562.db2.gz JHHUGLWIWHEZHF-IINYFYTJSA-N 0 0 359.875 2.646 20 10 FFCDRN CC[C@H]([NH2+]C1CCN(CCS(C)(=O)=O)CC1)c1cccc(Cl)c1[O-] ZINC000806138720 741042909 /nfs/dbraw/zinc/04/29/09/741042909.db2.gz ALTZJIAOBIDLMK-INIZCTEOSA-N 0 0 374.934 2.595 20 10 FFCDRN CC[C@@H]1CCCN(C(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806277616 741049534 /nfs/dbraw/zinc/04/95/34/741049534.db2.gz FWPJJSFRAXGJTF-CYBMUJFWSA-N 0 0 355.529 2.780 20 10 FFCDRN C[C@H]1CCC[C@@H](NC(=O)C(=O)NCCCSc2nccs2)CC1 ZINC000806281271 741050322 /nfs/dbraw/zinc/05/03/22/741050322.db2.gz SCJQVFFOPFHVOB-QWHCGFSZSA-N 0 0 355.529 2.827 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)NC[C@H]2CCCS2)cc1 ZINC000806920642 741095567 /nfs/dbraw/zinc/09/55/67/741095567.db2.gz XIHFOXAGGGKPQI-QGZVFWFLSA-N 0 0 363.527 2.503 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)CCSCC ZINC000807047162 741105008 /nfs/dbraw/zinc/10/50/08/741105008.db2.gz STZCPTLVERLOGL-AWEZNQCLSA-N 0 0 352.500 2.779 20 10 FFCDRN CC(=O)C(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 ZINC000808018656 741178242 /nfs/dbraw/zinc/17/82/42/741178242.db2.gz NPOVCUXUSBIBRH-UHFFFAOYSA-N 0 0 352.419 2.888 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)[C@H](C)Cc1c(C)nn(C)c1C ZINC000808093624 741185462 /nfs/dbraw/zinc/18/54/62/741185462.db2.gz RAHBBJWHOPSUFT-GFCCVEGCSA-N 0 0 350.459 2.723 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(NC(C)=O)ccc1F ZINC000808095947 741186002 /nfs/dbraw/zinc/18/60/02/741186002.db2.gz YTLRVZGOBXFGHI-UHFFFAOYSA-N 0 0 351.374 2.905 20 10 FFCDRN CC[C@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)C[C@@H](C)S1(=O)=O ZINC000808192449 741197530 /nfs/dbraw/zinc/19/75/30/741197530.db2.gz DBWIBLQHADOTBT-CJNGLKHVSA-N 0 0 363.479 2.952 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000809698242 741333244 /nfs/dbraw/zinc/33/32/44/741333244.db2.gz WPYAHXFDDPMMSX-GJZGRUSLSA-N 0 0 356.260 2.843 20 10 FFCDRN COc1ccc(CNS(=O)(=O)CCC2Cc3ccccc3C2)c(O)c1 ZINC000809841781 741352773 /nfs/dbraw/zinc/35/27/73/741352773.db2.gz WTSCVWPNKBYEAZ-UHFFFAOYSA-N 0 0 361.463 2.625 20 10 FFCDRN COc1cc(CN2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)c(O)c(C(C)(C)C)c1 ZINC000811798412 741559724 /nfs/dbraw/zinc/55/97/24/741559724.db2.gz NFDXVVOANPSRQH-BETUJISGSA-N 0 0 355.500 2.706 20 10 FFCDRN COc1ncccc1CCNC(=O)NCCCSc1nccs1 ZINC000812154415 741592137 /nfs/dbraw/zinc/59/21/37/741592137.db2.gz RWSAMCISKSVYJU-UHFFFAOYSA-N 0 0 352.485 2.571 20 10 FFCDRN NC(=O)c1csc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)n1 ZINC000814363668 741814005 /nfs/dbraw/zinc/81/40/05/741814005.db2.gz OZPNYMTUFKKFBQ-SNVBAGLBSA-N 0 0 368.409 2.924 20 10 FFCDRN O=S(=O)(c1ccc(Cl)c2nonc21)N1CCc2c1cccc2F ZINC000814390405 741818316 /nfs/dbraw/zinc/81/83/16/741818316.db2.gz YQGQLTOJKGFBFL-UHFFFAOYSA-N 0 0 353.762 2.767 20 10 FFCDRN Cc1cc(F)cc2c1S(=O)(=O)N(Cc1ccc(N(C)C)c(C)c1)C2=O ZINC000814765269 741862762 /nfs/dbraw/zinc/86/27/62/741862762.db2.gz ZDPHNZUXXDCRNL-UHFFFAOYSA-N 0 0 362.426 2.853 20 10 FFCDRN CCO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])[C@H]1n1cccn1 ZINC000815167061 741908171 /nfs/dbraw/zinc/90/81/71/741908171.db2.gz PPBGBAXBTNYDBQ-BPLDGKMQSA-N 0 0 366.805 2.659 20 10 FFCDRN C[C@@H]([NH2+]CC1(CS(C)(=O)=O)CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000815595442 741947326 /nfs/dbraw/zinc/94/73/26/741947326.db2.gz RNWMBAMIAOTJMD-SNVBAGLBSA-N 0 0 351.390 2.886 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CCCS(=O)(=O)C1)c1cccc(C(F)(F)F)c1[O-] ZINC000815626883 741948879 /nfs/dbraw/zinc/94/88/79/741948879.db2.gz OCICRVJUMZNTGC-QWRGUYRKSA-N 0 0 351.390 2.886 20 10 FFCDRN Oc1ccc(F)c(CNCc2ccc(N3CCOCC3)c(F)c2)c1F ZINC000816536158 742040066 /nfs/dbraw/zinc/04/00/66/742040066.db2.gz NDKDVAPBVXGUOH-UHFFFAOYSA-N 0 0 352.356 2.936 20 10 FFCDRN CC(C)(C)OC(=O)NCC[N@H+](CCO)Cc1cc(Cl)c(F)cc1[O-] ZINC000816570710 742043239 /nfs/dbraw/zinc/04/32/39/742043239.db2.gz FHFAKKXPLWMTSU-UHFFFAOYSA-N 0 0 362.829 2.504 20 10 FFCDRN [O-]c1cc(F)c(Cl)cc1C[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000816609159 742047277 /nfs/dbraw/zinc/04/72/77/742047277.db2.gz UBINMVNIXYTMTK-CYBMUJFWSA-N 0 0 356.747 2.537 20 10 FFCDRN COc1c(O)c(CNc2ccc(F)c(NC(N)=O)c2)ccc1[N+](=O)[O-] ZINC000816623813 742048585 /nfs/dbraw/zinc/04/85/85/742048585.db2.gz KJCRSAJBBOXXAY-UHFFFAOYSA-N 0 0 350.306 2.551 20 10 FFCDRN Cc1nccc(CCC(=O)NCc2cc(Br)ccc2O)n1 ZINC000816654255 742051137 /nfs/dbraw/zinc/05/11/37/742051137.db2.gz ZSBVJWKLQHDRGN-UHFFFAOYSA-N 0 0 350.216 2.502 20 10 FFCDRN CO[C@H](CC(C)C)CS(=O)(=O)NCCCSc1nccs1 ZINC000817133491 742091693 /nfs/dbraw/zinc/09/16/93/742091693.db2.gz TXXPAQMXYGXOIK-GFCCVEGCSA-N 0 0 352.547 2.606 20 10 FFCDRN C[C@@H]1CN(C(=O)COc2ccc(N3CCCCC3)c(Cl)c2)CCO1 ZINC000817381686 742134760 /nfs/dbraw/zinc/13/47/60/742134760.db2.gz JCDNYCVUEOYBKE-CQSZACIVSA-N 0 0 352.862 2.956 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CCC[C@H](C)[C@H]2C(=O)[O-])c1O ZINC000818631657 742287127 /nfs/dbraw/zinc/28/71/27/742287127.db2.gz MGKSQKYITPCVAD-ZANVPECISA-N 0 0 358.232 2.848 20 10 FFCDRN CCc1csc(CC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC000819587652 742411427 /nfs/dbraw/zinc/41/14/27/742411427.db2.gz GGIHRVOPVZMFAO-AWEZNQCLSA-N 0 0 359.495 2.899 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCCCS(C)(=O)=O ZINC000819608216 742414315 /nfs/dbraw/zinc/41/43/15/742414315.db2.gz PTPRIIHOCBJTGI-UHFFFAOYSA-N 0 0 354.497 2.710 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cnc(C2CC2)s1 ZINC000819696477 742424712 /nfs/dbraw/zinc/42/47/12/742424712.db2.gz VLMKOWHSTQIBMK-UHFFFAOYSA-N 0 0 360.435 2.932 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(C)nc(Cl)c1 ZINC000819697278 742424745 /nfs/dbraw/zinc/42/47/45/742424745.db2.gz UITDDAOPEVZUNJ-UHFFFAOYSA-N 0 0 362.813 2.955 20 10 FFCDRN CCC(CC)CS(=O)(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819887391 742439629 /nfs/dbraw/zinc/43/96/29/742439629.db2.gz JGQVLAKNNSQUDK-MRXNPFEDSA-N 0 0 354.516 2.877 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3ccccc3F)C2)cc1 ZINC000819891022 742440612 /nfs/dbraw/zinc/44/06/12/742440612.db2.gz WSJNZRFDVBFQFB-AWEZNQCLSA-N 0 0 364.442 2.639 20 10 FFCDRN CCn1ncc(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1Br ZINC000821064778 742582660 /nfs/dbraw/zinc/58/26/60/742582660.db2.gz HMWHEMLZYIKGSS-VIFPVBQESA-N 0 0 368.231 2.871 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)C1(CF)CCOCC1 ZINC000822586625 742755297 /nfs/dbraw/zinc/75/52/97/742755297.db2.gz VLJWWSPRHMHYSI-UHFFFAOYSA-N 0 0 352.475 2.622 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C[C@H]2CCOC[C@@H]2OC)cc1F ZINC000823213197 742854551 /nfs/dbraw/zinc/85/45/51/742854551.db2.gz FQYNEVWZQRTWMD-QAPCUYQASA-N 0 0 352.450 2.730 20 10 FFCDRN CC[C@@H](CSC)NC(=O)NC[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823449820 742914705 /nfs/dbraw/zinc/91/47/05/742914705.db2.gz UMECTOVSQLTSDF-CABCVRRESA-N 0 0 351.516 2.962 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)C3(Br)CC3)C2)cc1 ZINC000823776178 742977520 /nfs/dbraw/zinc/97/75/20/742977520.db2.gz LQQIRPLHFSXSDW-LBPRGKRZSA-N 0 0 353.260 2.565 20 10 FFCDRN COc1cccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)n1 ZINC000824171915 743032124 /nfs/dbraw/zinc/03/21/24/743032124.db2.gz SVKHATDDBPVBLD-UHFFFAOYSA-N 0 0 358.467 2.965 20 10 FFCDRN COc1cnc(NC(=O)NC[C@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000824332323 743057435 /nfs/dbraw/zinc/05/74/35/743057435.db2.gz ZOFOFRKXKHLKNR-GFCCVEGCSA-N 0 0 362.455 2.808 20 10 FFCDRN COc1ccc(CNS(C)(=O)=O)cc1NCc1cc(Cl)ccc1O ZINC000824935170 743182068 /nfs/dbraw/zinc/18/20/68/743182068.db2.gz AUHGRNHUXTUALS-UHFFFAOYSA-N 0 0 370.858 2.716 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]3NC(=O)CC[C@H]3C2)c1 ZINC000827132317 743515141 /nfs/dbraw/zinc/51/51/41/743515141.db2.gz KWVAVDGSXNIYLK-SMDDNHRTSA-N 0 0 353.260 2.564 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@H+](CCN1CCOCC1)CC1CC1 ZINC000827515409 743592168 /nfs/dbraw/zinc/59/21/68/743592168.db2.gz FWOLBNGJEMUNKQ-UHFFFAOYSA-N 0 0 369.303 2.699 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)CCC[C@@H]1CCOC1 ZINC000827694499 744961904 /nfs/dbraw/zinc/96/19/04/744961904.db2.gz GDRGQMNYHFRAIP-IAGOWNOFSA-N 0 0 368.543 2.728 20 10 FFCDRN COc1cc(Br)cc(CN(C)Cc2nnc(C)s2)c1O ZINC000827798658 744980255 /nfs/dbraw/zinc/98/02/55/744980255.db2.gz HWKFPECDRGVEKD-UHFFFAOYSA-N 0 0 358.261 2.955 20 10 FFCDRN Oc1ccc(Br)cc1CN1CCn2c(nnc2C(F)F)C1 ZINC000827899064 744998544 /nfs/dbraw/zinc/99/85/44/744998544.db2.gz ZGQABIRIORXVPA-UHFFFAOYSA-N 0 0 359.174 2.700 20 10 FFCDRN C[C@@H](NC(=O)[C@]1(NC(=O)OC(C)(C)C)CC1(F)F)c1ccccc1O ZINC000827915976 745000861 /nfs/dbraw/zinc/00/08/61/745000861.db2.gz FOPFHJSXOAXXAV-QLJPJBMISA-N 0 0 356.369 2.872 20 10 FFCDRN C[C@@H](NC(=O)[C@H]1CSCN1C(=O)c1ccccc1)c1ccccc1O ZINC000827923253 745002008 /nfs/dbraw/zinc/00/20/08/745002008.db2.gz MVFLWIXNEXWSIP-CZUORRHYSA-N 0 0 356.447 2.785 20 10 FFCDRN CSC[C@@H](C)C(=O)N1CCC(C(=O)N[C@H](C)c2ccccc2O)CC1 ZINC000827947059 745005465 /nfs/dbraw/zinc/00/54/65/745005465.db2.gz ZSGQFONKQRNXGW-ZIAGYGMSSA-N 0 0 364.511 2.807 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)C[C@@H]3CCCC3(F)F)CC2)cc1 ZINC000829657361 745240385 /nfs/dbraw/zinc/24/03/85/745240385.db2.gz YDUZZYUGFPBTSE-AWEZNQCLSA-N 0 0 374.453 2.582 20 10 FFCDRN COC(=O)c1cnc(SCCOc2ccc(S(C)(=O)=O)cc2)s1 ZINC000829680856 745243761 /nfs/dbraw/zinc/24/37/61/745243761.db2.gz GHCALAKEILRBIP-UHFFFAOYSA-N 0 0 373.477 2.504 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)NCC2(c3ccccc3)CC2)s1 ZINC000829686897 745244956 /nfs/dbraw/zinc/24/49/56/745244956.db2.gz AQGJOWMVBWSLKR-UHFFFAOYSA-N 0 0 362.476 2.870 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3ccncc3Cl)CC2)cc1F ZINC000829869319 745272410 /nfs/dbraw/zinc/27/24/10/745272410.db2.gz NKOHVICOXWESCA-UHFFFAOYSA-N 0 0 363.820 2.774 20 10 FFCDRN CCOC[C@H](C)CS(=O)(=O)N(C)Cc1ccc(N(CC)CC)cc1 ZINC000829872621 745273000 /nfs/dbraw/zinc/27/30/00/745273000.db2.gz SKOYKCOVROGEHD-INIZCTEOSA-N 0 0 356.532 2.967 20 10 FFCDRN Cc1csc(S(=O)(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1 ZINC000830082361 745302797 /nfs/dbraw/zinc/30/27/97/745302797.db2.gz ABEZQFLRJZWOFJ-UHFFFAOYSA-N 0 0 370.471 2.511 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccn(COC)n1 ZINC000830150004 745314990 /nfs/dbraw/zinc/31/49/90/745314990.db2.gz KQKSTGNVDNVZHQ-UHFFFAOYSA-N 0 0 368.231 2.617 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)CC3CC(F)(F)C3)CC2)cc1 ZINC000830352653 745342225 /nfs/dbraw/zinc/34/22/25/745342225.db2.gz PSRXLDBECPBDDW-UHFFFAOYSA-N 0 0 374.453 2.629 20 10 FFCDRN COc1cccc(CNC(=O)CN(C(=O)OC(C)(C)C)C(C)C)c1O ZINC000830540878 745377681 /nfs/dbraw/zinc/37/76/81/745377681.db2.gz PBUKLGPURXMLCZ-UHFFFAOYSA-N 0 0 352.431 2.663 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CS(C)(=O)=O)c1O ZINC000831782034 745583410 /nfs/dbraw/zinc/58/34/10/745583410.db2.gz ABHFACYVXHZRIG-AWEZNQCLSA-N 0 0 359.875 2.647 20 10 FFCDRN C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)NC(=O)/C=C\c1ccc(O)c(O)c1 ZINC000834271007 745809926 /nfs/dbraw/zinc/80/99/26/745809926.db2.gz JJHDPYBSDVMDQK-ONCZFSCLSA-N 0 0 350.415 2.529 20 10 FFCDRN CCOc1ccc(OC[C@@H](O)CSc2ncc(C(=O)OC)s2)cc1 ZINC000834382285 745827927 /nfs/dbraw/zinc/82/79/27/745827927.db2.gz JCRFVHSYMDCROP-LLVKDONJSA-N 0 0 369.464 2.860 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(Br)c1F ZINC000834412759 745833723 /nfs/dbraw/zinc/83/37/23/745833723.db2.gz QTMVSZPXCLSMKX-DHZHZOJOSA-N 0 0 371.231 2.891 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2scnc2C(C)C)c1 ZINC000835115913 745953842 /nfs/dbraw/zinc/95/38/42/745953842.db2.gz CFADWPSJJFQGMI-JTQLQIEISA-N 0 0 363.439 2.797 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCC(C)(F)F)cc2F)C[C@@H](C)O1 ZINC000836240987 746172775 /nfs/dbraw/zinc/17/27/75/746172775.db2.gz LKSDFPQRMZDZHC-VXGBXAGGSA-N 0 0 359.392 2.894 20 10 FFCDRN CC(C)[C@@H]1[C@@H](C(C)C)CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000836890961 746325967 /nfs/dbraw/zinc/32/59/67/746325967.db2.gz UNTYFJZGZWMDCE-GDBMZVCRSA-N 0 0 354.472 2.516 20 10 FFCDRN C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)[C@H]1CCC[C@@H](C)C1 ZINC000837155568 746380623 /nfs/dbraw/zinc/38/06/23/746380623.db2.gz LZZVOZQPETUSOB-AGIUHOORSA-N 0 0 354.472 2.708 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000837708601 746503286 /nfs/dbraw/zinc/50/32/86/746503286.db2.gz WOWQNNDDHOZREU-HALDLXJZSA-N 0 0 350.409 2.854 20 10 FFCDRN C[C@H]1CC[C@H](NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838563740 746666807 /nfs/dbraw/zinc/66/68/07/746666807.db2.gz FESHGCSWXAHNJG-JSGCOSHPSA-N 0 0 353.413 2.789 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N1CCS[C@@H](CC)C1 ZINC000839339247 746814429 /nfs/dbraw/zinc/81/44/29/746814429.db2.gz ISJGEEKKCSBTHK-INIZCTEOSA-N 0 0 364.511 2.875 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1csc(Cl)n1 ZINC000839446565 746830132 /nfs/dbraw/zinc/83/01/32/746830132.db2.gz PAQIJNUTTHRWFZ-UHFFFAOYSA-N 0 0 373.812 2.841 20 10 FFCDRN C[C@@H]1c2ccc(Cl)n2CCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000839529480 746847964 /nfs/dbraw/zinc/84/79/64/746847964.db2.gz RNEGLCHGXUZFRG-CQSZACIVSA-N 0 0 360.889 2.901 20 10 FFCDRN CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000839889404 746954629 /nfs/dbraw/zinc/95/46/29/746954629.db2.gz FFJGYAIRLJCUBS-ZIAGYGMSSA-N 0 0 354.472 2.708 20 10 FFCDRN CC[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1cccc(Cl)c1[O-] ZINC000840781114 747181772 /nfs/dbraw/zinc/18/17/72/747181772.db2.gz QVHMMKKLALDYFV-KRWDZBQOSA-N 0 0 368.905 2.968 20 10 FFCDRN C[C@@H]([NH2+]CCS(=O)(=O)C1CC1)c1cc(Br)c(F)cc1[O-] ZINC000840884532 747212801 /nfs/dbraw/zinc/21/28/01/747212801.db2.gz QKMGTUPCTLLLNP-MRVPVSSYSA-N 0 0 366.252 2.522 20 10 FFCDRN COCCc1ccc(S(=O)(=O)Nc2ccc(O)cc2COC)cc1 ZINC000840916272 747223783 /nfs/dbraw/zinc/22/37/83/747223783.db2.gz ZANRYDRMBKKZGN-UHFFFAOYSA-N 0 0 351.424 2.528 20 10 FFCDRN CS(=O)(=O)c1cccc(/C=C2\SC(=S)N(C3CCC3)C2=O)c1 ZINC000841498524 747370700 /nfs/dbraw/zinc/37/07/00/747370700.db2.gz OWKNSDRZQARAID-LCYFTJDESA-N 0 0 353.490 2.844 20 10 FFCDRN CS(=O)(=O)c1ccc(/C=C2/SC(=S)N(C3CCC3)C2=O)s1 ZINC000841498559 747370862 /nfs/dbraw/zinc/37/08/62/747370862.db2.gz PYLDIKHXLHJZPW-JXMROGBWSA-N 0 0 359.519 2.905 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1cn(C(C)C)cn1 ZINC000841570671 747407252 /nfs/dbraw/zinc/40/72/52/747407252.db2.gz TUYKSWUXCOAAAW-OAHLLOKOSA-N 0 0 364.515 2.748 20 10 FFCDRN CCOC[C@H](C)CS(=O)(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000841570469 747407304 /nfs/dbraw/zinc/40/73/04/747407304.db2.gz RVHMNMBBQSBDIK-HOCLYGCPSA-N 0 0 356.532 2.584 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1cccc2c1CCNC2=O ZINC000841780251 747458348 /nfs/dbraw/zinc/45/83/48/747458348.db2.gz POZCFELUGYZGFV-UHFFFAOYSA-N 0 0 362.480 2.733 20 10 FFCDRN Nc1ccc(CCNC(=O)NC[C@]2(O)CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000841957684 747492873 /nfs/dbraw/zinc/49/28/73/747492873.db2.gz CMSPEKZJYYJEGR-CJNGLKHVSA-N 0 0 359.392 2.594 20 10 FFCDRN CCN(Cc1cccc(Cl)c1)C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842235940 747552764 /nfs/dbraw/zinc/55/27/64/747552764.db2.gz LHZZXUVXRLFWDD-UHFFFAOYSA-N 0 0 359.857 2.630 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3cc(C(N)=O)cs3)C2)cc1 ZINC000842879990 747713220 /nfs/dbraw/zinc/71/32/20/747713220.db2.gz WIXRTGWBTIHHMD-LBPRGKRZSA-N 0 0 360.435 2.539 20 10 FFCDRN OC[C@@H]1CCCN(Cc2ccc(N3CCOCC3)cc2)[C@@H]1C(F)(F)F ZINC000843413738 747830994 /nfs/dbraw/zinc/83/09/94/747830994.db2.gz PGOJZTIRPMSEOU-RDJZCZTQSA-N 0 0 358.404 2.658 20 10 FFCDRN COC/C(C)=C\C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000844410824 748024591 /nfs/dbraw/zinc/02/45/91/748024591.db2.gz ZEIORBDXGSKPBO-QLKUMGTLSA-N 0 0 354.397 2.966 20 10 FFCDRN CSc1cccnc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000844830178 748110459 /nfs/dbraw/zinc/11/04/59/748110459.db2.gz QETZDLJNWZVJCV-UHFFFAOYSA-N 0 0 358.467 2.962 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2nn(C)c(C)c2Cl)cc1 ZINC000844857356 748117763 /nfs/dbraw/zinc/11/77/63/748117763.db2.gz UOVJUYHIUKZFEY-UHFFFAOYSA-N 0 0 350.850 2.599 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H](NC(=O)NCc2cc(Cl)ccc2O)C1 ZINC000844969812 748150295 /nfs/dbraw/zinc/15/02/95/748150295.db2.gz WLFJGIJTIZKZNC-ZDUSSCGKSA-N 0 0 369.849 2.854 20 10 FFCDRN CC(C)NS(=O)(=O)c1cccnc1NCc1cc(Cl)ccc1O ZINC000845709564 748312093 /nfs/dbraw/zinc/31/20/93/748312093.db2.gz UXXKQYFWSDIGIB-UHFFFAOYSA-N 0 0 355.847 2.739 20 10 FFCDRN COc1ccc(N(C)Cc2cc(Cl)c(OCC(N)=O)c(OC)c2)cc1 ZINC000845999198 748380065 /nfs/dbraw/zinc/38/00/65/748380065.db2.gz RQFJPTJINTXJGA-UHFFFAOYSA-N 0 0 364.829 2.858 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CC(=O)N(C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000846205656 748429824 /nfs/dbraw/zinc/42/98/24/748429824.db2.gz JGNWMKIHTSABRE-UWVGGRQHSA-N 0 0 371.250 2.955 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC[C@@]2(C)C[C@]2(F)Cl)cc1 ZINC000846236632 748437184 /nfs/dbraw/zinc/43/71/84/748437184.db2.gz VPSHVLDGGVOWBD-ZWKOTPCHSA-N 0 0 369.868 2.532 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2csc(NC3CC3)n2)cc1 ZINC000846441928 748480033 /nfs/dbraw/zinc/48/00/33/748480033.db2.gz GJUIABZMFNMDEQ-UHFFFAOYSA-N 0 0 360.483 2.934 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000846476722 748489012 /nfs/dbraw/zinc/48/90/12/748489012.db2.gz PBFDTXGKGPXTDO-UHFFFAOYSA-N 0 0 364.804 2.951 20 10 FFCDRN CN(C[C@@H]1CCCN(S(C)(=O)=O)C1)c1ccc(-c2nccs2)cc1 ZINC000846991120 748593618 /nfs/dbraw/zinc/59/36/18/748593618.db2.gz DHNDNKXUVULGLZ-AWEZNQCLSA-N 0 0 365.524 2.918 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H](C[C@H]2CCCO2)C(F)(F)F)c1 ZINC000847247710 748660472 /nfs/dbraw/zinc/66/04/72/748660472.db2.gz SUJMQBZNFFJRPB-TZMCWYRMSA-N 0 0 362.348 2.700 20 10 FFCDRN CC[C@@](C)(CO)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000847532980 748721190 /nfs/dbraw/zinc/72/11/90/748721190.db2.gz UFXNZWROYMXBBK-UGSOOPFHSA-N 0 0 356.413 2.782 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000848243441 748884005 /nfs/dbraw/zinc/88/40/05/748884005.db2.gz ZKRVHFMULTYKDQ-LJQANCHMSA-N 0 0 358.825 2.510 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CN(C2CC2)C(=O)O1)c1cc(Br)c(F)cc1[O-] ZINC000848571693 748963439 /nfs/dbraw/zinc/96/34/39/748963439.db2.gz RFYSTZQZYLWELP-SCZZXKLOSA-N 0 0 373.222 2.928 20 10 FFCDRN CCc1cccc(CNc2cccc(N3CCS(=O)(=O)CC3)c2)c1O ZINC000848892471 749029632 /nfs/dbraw/zinc/02/96/32/749029632.db2.gz XOTRITJENZZKPD-UHFFFAOYSA-N 0 0 360.479 2.802 20 10 FFCDRN O=C([O-])C1([NH2+]Cc2ccc(N3CCOCC3)cc2)CCC(F)(F)CC1 ZINC000849232170 749075043 /nfs/dbraw/zinc/07/50/43/749075043.db2.gz SESKZKDEAULUEH-UHFFFAOYSA-N 0 0 354.397 2.646 20 10 FFCDRN COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](c4cccs4)C3=O)C2)cc1 ZINC000849357121 749110889 /nfs/dbraw/zinc/11/08/89/749110889.db2.gz JRYBHWCGQZJITD-CZUORRHYSA-N 0 0 357.435 2.629 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)CCc2ccc(F)cc2)cc1 ZINC000849369293 749115066 /nfs/dbraw/zinc/11/50/66/749115066.db2.gz QMBVSUQERHMKCT-UHFFFAOYSA-N 0 0 350.459 2.896 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(C)cc3C)C2)cc1 ZINC000849415612 749141978 /nfs/dbraw/zinc/14/19/78/749141978.db2.gz CKYQFOBTMJQSAF-INIZCTEOSA-N 0 0 360.479 2.869 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)c3ccc(C)c(F)c3)C2)cc1 ZINC000849416408 749142719 /nfs/dbraw/zinc/14/27/19/749142719.db2.gz QWIZOIVOOYWFJE-AWEZNQCLSA-N 0 0 364.442 2.700 20 10 FFCDRN CC[C@@H]([NH2+]C[C@]1(OCCO)CCOC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000850507998 749378081 /nfs/dbraw/zinc/37/80/81/749378081.db2.gz LLZSZOHRHBCPHH-GDBMZVCRSA-N 0 0 364.269 2.908 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)Nc3ccc(Cl)nc3)CC2)cc1 ZINC000851715030 749649617 /nfs/dbraw/zinc/64/96/17/749649617.db2.gz XVMJLMGEMTWWFG-UHFFFAOYSA-N 0 0 360.845 2.504 20 10 FFCDRN COC(=O)CN(CC[C@H]1COC(C)(C)O1)Cc1cc(Cl)ccc1O ZINC000851841400 749699235 /nfs/dbraw/zinc/69/92/35/749699235.db2.gz QVGUFAQAEGATKL-AWEZNQCLSA-N 0 0 357.834 2.562 20 10 FFCDRN CCC[C@@H](C)CS(=O)(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851843579 749700293 /nfs/dbraw/zinc/70/02/93/749700293.db2.gz FXQLVBXUYYRAGX-OAHLLOKOSA-N 0 0 354.516 2.503 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@H](C3CC3)C(F)(F)F)C2)cc1 ZINC000852344909 749840461 /nfs/dbraw/zinc/84/04/61/749840461.db2.gz USFNFUSJVZTPAJ-SWLSCSKDSA-N 0 0 357.376 2.914 20 10 FFCDRN C[C@H](CNC(=O)NCc1ccc(N2CCC(O)CC2)cc1)CC(F)F ZINC000852391775 749851267 /nfs/dbraw/zinc/85/12/67/749851267.db2.gz BIYQATFCHJWYAW-ZDUSSCGKSA-N 0 0 355.429 2.738 20 10 FFCDRN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)NCc1cc(Cl)ccc1O ZINC000852694365 749927493 /nfs/dbraw/zinc/92/74/93/749927493.db2.gz ROTNFGMFVAACDD-RHSMWYFYSA-N 0 0 354.834 2.967 20 10 FFCDRN C[C@@]1(C(F)F)CN(C(=O)NCCCSc2nccs2)CCO1 ZINC000853858145 750183649 /nfs/dbraw/zinc/18/36/49/750183649.db2.gz LFDDHQLWDPLLDY-ZDUSSCGKSA-N 0 0 351.444 2.691 20 10 FFCDRN CCCc1nnc(NC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000854226565 750265284 /nfs/dbraw/zinc/26/52/84/750265284.db2.gz IAVFVTXGGLYEHN-GFCCVEGCSA-N 0 0 361.471 2.900 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CC[C@H](Oc2cncc(Br)c2)C1 ZINC000854578869 750333117 /nfs/dbraw/zinc/33/31/17/750333117.db2.gz HHRDHJYQENZDTQ-NSHDSACASA-N 0 0 369.240 2.905 20 10 FFCDRN COc1ccc(C[N@H+](CCO)Cc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000895711697 970874044 /nfs/dbraw/zinc/87/40/44/970874044.db2.gz UFNXAPOXSHSGMH-UHFFFAOYSA-N 0 0 370.493 2.651 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C(C)(C)n3cnc(C)c3)CC2)cc1 ZINC000895809183 970959576 /nfs/dbraw/zinc/95/95/76/970959576.db2.gz HLIODFFPVLLLPS-UHFFFAOYSA-N 0 0 356.470 2.674 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H]2CCN(c3ccc(F)cc3)C2)c1 ZINC000840297965 971011958 /nfs/dbraw/zinc/01/19/58/971011958.db2.gz OUXZTJRBKXSSSE-HNNXBMFYSA-N 0 0 359.401 2.618 20 10 FFCDRN COc1ccc(CN(C)C(=O)C[NH2+][C@H](C)c2cc(OC)ccc2O)cc1 ZINC000182384377 971024436 /nfs/dbraw/zinc/02/44/36/971024436.db2.gz DEDCBNBRCXAMRR-CQSZACIVSA-N 0 0 358.438 2.719 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2cc(N(C)C)nc3ccccc32)c1 ZINC000182772500 971066059 /nfs/dbraw/zinc/06/60/59/971066059.db2.gz PVCNQCGVCIZXGZ-UHFFFAOYSA-N 0 0 351.406 2.945 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Nc3ccncc3[N+](=O)[O-])CC2)cc1 ZINC000183631831 971134564 /nfs/dbraw/zinc/13/45/64/971134564.db2.gz CZHOMMBBTASHAQ-UHFFFAOYSA-N 0 0 371.397 2.789 20 10 FFCDRN Cc1cc(F)ncc1C[NH2+]Cc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000896054126 971199962 /nfs/dbraw/zinc/19/99/62/971199962.db2.gz 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971625927 /nfs/dbraw/zinc/62/59/27/971625927.db2.gz RAGCNRNZPAJBFP-UHFFFAOYSA-N 0 0 368.437 2.719 20 10 FFCDRN CC1(O)CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000888588917 1013096949 /nfs/dbraw/zinc/09/69/49/1013096949.db2.gz AZYXNWIHTSPJAA-UHFFFAOYSA-N 0 0 351.410 2.775 20 10 FFCDRN CN(C[C@H](O)C1CC1)C(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888589574 1013099000 /nfs/dbraw/zinc/09/90/00/1013099000.db2.gz MEINGYXOUSTZIC-HNNXBMFYSA-N 0 0 351.410 2.631 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2nn(CC)cc2[N+](=O)[O-])cc1F ZINC000191808895 971664113 /nfs/dbraw/zinc/66/41/13/971664113.db2.gz HXQCKUFCXUTOJU-UHFFFAOYSA-N 0 0 363.393 2.727 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1coc(C2CCC2)n1 ZINC000194076108 971838421 /nfs/dbraw/zinc/83/84/21/971838421.db2.gz HKRHTDYHDIXHDI-UHFFFAOYSA-N 0 0 359.401 2.848 20 10 FFCDRN Cc1cc(C(=O)CN(C)C2CC(O)C2)c(C)n1-c1ccc2c(c1)OCCO2 ZINC000759874877 971865403 /nfs/dbraw/zinc/86/54/03/971865403.db2.gz PWNVKUWWQZCXIX-UHFFFAOYSA-N 0 0 370.449 2.503 20 10 FFCDRN C[C@@H](CNC(=O)Nc1c(-c2ccccn2)nc2ccccn21)C[C@H](C)O ZINC000888591988 1013131784 /nfs/dbraw/zinc/13/17/84/1013131784.db2.gz MYCZPDFDJKFBCB-KGLIPLIRSA-N 0 0 353.426 2.925 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC(CO)CC2)CCCC1 ZINC000651543903 972064998 /nfs/dbraw/zinc/06/49/98/972064998.db2.gz MFNCJLYWDWGZTK-UHFFFAOYSA-N 0 0 356.466 2.760 20 10 FFCDRN CN1C(=O)C(=Cc2cccc(OCc3ccccc3)c2)C(=O)N(C)C1=O ZINC000003543664 972248173 /nfs/dbraw/zinc/24/81/73/972248173.db2.gz HUDOKBKOGWTJND-UHFFFAOYSA-N 0 0 350.374 2.699 20 10 FFCDRN CC(C)S(=O)(=O)c1ccc(N(c2ccc(N)cc2)S(C)(=O)=O)cc1 ZINC001174270979 1013164110 /nfs/dbraw/zinc/16/41/10/1013164110.db2.gz VXWMNRIPTHUNRN-UHFFFAOYSA-N 0 0 368.480 2.549 20 10 FFCDRN CN1CCN(Cc2ccc(N3CCOCC3)c(F)c2)Cc2cccnc21 ZINC000872265329 1013192050 /nfs/dbraw/zinc/19/20/50/1013192050.db2.gz OGCAUJYHOMWTKF-UHFFFAOYSA-N 0 0 356.445 2.509 20 10 FFCDRN Cc1cc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000175789821 960353681 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20 10 FFCDRN CN(c1cnn(Cc2cccs2)c1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001176162028 1013648739 /nfs/dbraw/zinc/64/87/39/1013648739.db2.gz RLHFRARPSUAPKM-UHFFFAOYSA-N 0 0 362.480 2.541 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N(C)C)c(F)c1 ZINC000873821697 1013649492 /nfs/dbraw/zinc/64/94/92/1013649492.db2.gz PGFVCAKIPQZVLI-UHFFFAOYSA-N 0 0 373.428 2.975 20 10 FFCDRN C[C@H](NC(=O)Nc1ccnn1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000934514079 966618688 /nfs/dbraw/zinc/61/86/88/966618688.db2.gz FYBDGCOOENUGTG-AWEZNQCLSA-N 0 0 355.442 2.937 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)Nc1ccnn1C1CC1 ZINC000934535776 966652512 /nfs/dbraw/zinc/65/25/12/966652512.db2.gz WTKNUTMYGXSAOF-UHFFFAOYSA-N 0 0 355.442 2.501 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1nc(-c2cnn(C)c2)ns1 ZINC000934579007 966763465 /nfs/dbraw/zinc/76/34/65/966763465.db2.gz TVTHSZLRRLQOQX-UHFFFAOYSA-N 0 0 371.470 2.635 20 10 FFCDRN CN(c1ccc(CNC(=O)N[C@H]2CCC(=O)N(C)C2)cc1)C1CCCCC1 ZINC000124748418 1013705869 /nfs/dbraw/zinc/70/58/69/1013705869.db2.gz RJWNUPLUOHKFJL-KRWDZBQOSA-N 0 0 372.513 2.876 20 10 FFCDRN CC(=O)c1cc(CN2CCOCC2)c([O-])c(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000728559203 967367413 /nfs/dbraw/zinc/36/74/13/967367413.db2.gz CLHVUXAMYWOUCY-HXUWFJFHSA-N 0 0 358.482 2.801 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cc2c([nH]c1=O)CCC[C@@H]2O ZINC000874002025 1013721031 /nfs/dbraw/zinc/72/10/31/1013721031.db2.gz QQGZOWCZGOELHT-IBGZPJMESA-N 0 0 367.449 2.687 20 10 FFCDRN COC(=O)c1cc(NCCc2cc(O)c(O)cc2O)ccc1OC(F)F ZINC001168005322 967570890 /nfs/dbraw/zinc/57/08/90/967570890.db2.gz FLYMPBCCFOBFBX-UHFFFAOYSA-N 0 0 369.320 2.846 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@H](c3nncn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC001176622223 1013739082 /nfs/dbraw/zinc/73/90/82/1013739082.db2.gz OFMNLDOIRRTLGZ-OAHLLOKOSA-N 0 0 367.428 2.991 20 10 FFCDRN CCc1cc(NCCc2cc(O)c(O)cc2O)nc(-c2ccccn2)n1 ZINC001168009690 967765157 /nfs/dbraw/zinc/76/51/57/967765157.db2.gz NXTSKHMEOKVYFG-UHFFFAOYSA-N 0 0 352.394 2.872 20 10 FFCDRN Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)N[C@@H](C)c1ccccc1O)C2=O ZINC000827982298 967780397 /nfs/dbraw/zinc/78/03/97/967780397.db2.gz RQBJEEVZYVZMDW-QWHCGFSZSA-N 0 0 352.390 2.563 20 10 FFCDRN Oc1cc(O)c(CCNc2nnc3c(c2C(F)(F)F)CCC3)cc1O ZINC001168010590 967822958 /nfs/dbraw/zinc/82/29/58/967822958.db2.gz XRUMVEDNTDNTLO-UHFFFAOYSA-N 0 0 355.316 2.756 20 10 FFCDRN CC(C)n1cc2cc(NC(=O)C(=O)N3Cc4cccc(O)c4C3)ccc2n1 ZINC000874100386 1013758677 /nfs/dbraw/zinc/75/86/77/1013758677.db2.gz MZPPPHQJYXLMOF-UHFFFAOYSA-N 0 0 364.405 2.804 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Cn3ccnc3C(C)C)CC2)cc1 ZINC000874110260 1013760735 /nfs/dbraw/zinc/76/07/35/1013760735.db2.gz DSADIEVTIZSDLN-UHFFFAOYSA-N 0 0 356.470 2.754 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cn3c(n2)CCC3)cc1 ZINC000843778994 967994692 /nfs/dbraw/zinc/99/46/92/967994692.db2.gz MVARFLSRRMSDMO-GOSISDBHSA-N 0 0 368.481 2.717 20 10 FFCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)C[C@H]1CC(=O)NC1=O ZINC000935242627 968099510 /nfs/dbraw/zinc/09/95/10/968099510.db2.gz HTMKAXXAQAXHET-WMLDXEAASA-N 0 0 366.417 2.535 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cccc3c2O[C@H](C)C(=O)N3)c1 ZINC000729534940 968155357 /nfs/dbraw/zinc/15/53/57/968155357.db2.gz GHMLEHKVZVMCHR-WDEREUQCSA-N 0 0 356.378 2.611 20 10 FFCDRN O=Cc1cc(Br)cc(C(=O)NCc2cc(O)ccc2O)c1 ZINC001176755713 1013774594 /nfs/dbraw/zinc/77/45/94/1013774594.db2.gz SUPXZSJBVZPDNC-UHFFFAOYSA-N 0 0 350.168 2.603 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1cc(N2CCCC2=O)ccc1Cl ZINC001176754326 1013774660 /nfs/dbraw/zinc/77/46/60/1013774660.db2.gz ATWUXKLNTRCYEW-UHFFFAOYSA-N 0 0 360.797 2.808 20 10 FFCDRN Oc1cc(O)c(CCNc2ccc(C(F)(F)F)n3ncnc23)cc1O ZINC001168016769 968177996 /nfs/dbraw/zinc/17/79/96/968177996.db2.gz OLVHKCVSMSWLEB-UHFFFAOYSA-N 0 0 354.288 2.520 20 10 FFCDRN C[C@@H](NC(=O)N1CCN(Cc2ccncc2)CC1)c1ccc(N(C)C)cc1 ZINC000773614970 1013853994 /nfs/dbraw/zinc/85/39/94/1013853994.db2.gz VNBWPIHTKYGYHD-QGZVFWFLSA-N 0 0 367.497 2.736 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@@H](CO)c2cc(F)ccc2F)cc1F ZINC000892486495 969111387 /nfs/dbraw/zinc/11/13/87/969111387.db2.gz WGXXGQNCMSKVPV-INIZCTEOSA-N 0 0 367.371 2.703 20 10 FFCDRN COc1ccccc1[C@H](O)CNC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000773616436 1013857417 /nfs/dbraw/zinc/85/74/17/1013857417.db2.gz KPHNMOYFHHJTGV-RDTXWAMCSA-N 0 0 357.454 2.855 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC(Cc2ccco2)C1 ZINC000875141951 1013977825 /nfs/dbraw/zinc/97/78/25/1013977825.db2.gz ZLDJEAGRBHOOKJ-UHFFFAOYSA-N 0 0 355.438 2.500 20 10 FFCDRN C[C@@H](NC(=O)NCCCNC(=O)c1cccc(F)c1)c1ccccc1O ZINC000875268263 1014003914 /nfs/dbraw/zinc/00/39/14/1014003914.db2.gz GULHNLHWOJWLSL-CYBMUJFWSA-N 0 0 359.401 2.712 20 10 FFCDRN C[C@@H](NC(=O)N[C@@H]1CCN(c2ccccc2F)C1=O)c1ccccc1O ZINC000875277175 1014005000 /nfs/dbraw/zinc/00/50/00/1014005000.db2.gz WMTSJIPSCWXUOT-IUODEOHRSA-N 0 0 357.385 2.697 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NC3CC4(C3)CO[C@H](C)C4)C2)cc1 ZINC000895434852 970606041 /nfs/dbraw/zinc/60/60/41/970606041.db2.gz DMYPKLGIPDAVBG-UJZKCHAJSA-N 0 0 373.497 2.778 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2=O)c1 ZINC000875432351 1014027633 /nfs/dbraw/zinc/02/76/33/1014027633.db2.gz DPQBQBMHMRGFOG-GOSISDBHSA-N 0 0 367.449 2.691 20 10 FFCDRN CC(C)C(=O)N1CC[C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@H]2C1 ZINC000975586577 972889909 /nfs/dbraw/zinc/88/99/09/972889909.db2.gz ZLOXSMGCDSHSKC-BBRMVZONSA-N 0 0 371.441 2.568 20 10 FFCDRN COC(=O)c1ccc2c(cnn2CN(C)Cc2ccc(N(C)C)cc2)c1 ZINC000108928169 972960021 /nfs/dbraw/zinc/96/00/21/972960021.db2.gz CLBZRHBDIFTSNC-UHFFFAOYSA-N 0 0 352.438 2.978 20 10 FFCDRN C[C@@H]1CC(F)(F)CCN1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000875749905 1014071335 /nfs/dbraw/zinc/07/13/35/1014071335.db2.gz VOLLHSZMUKFECR-CQSZACIVSA-N 0 0 367.440 2.977 20 10 FFCDRN CCn1ncc(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000875772754 1014074840 /nfs/dbraw/zinc/07/48/40/1014074840.db2.gz XOBUGFRDWDSSMH-UHFFFAOYSA-N 0 0 356.474 2.630 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O ZINC000875932301 1014097295 /nfs/dbraw/zinc/09/72/95/1014097295.db2.gz DINVULIUZDBWFB-LJQANCHMSA-N 0 0 372.513 2.826 20 10 FFCDRN CC(C)C(=O)N1CC[C@@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@@H]21 ZINC000975771221 973291308 /nfs/dbraw/zinc/29/13/08/973291308.db2.gz RUDBSIXTQRMAQL-BBRMVZONSA-N 0 0 371.441 2.568 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCC[C@@H]2CCO)CCCC1 ZINC000651779646 973976492 /nfs/dbraw/zinc/97/64/92/973976492.db2.gz LZADZEKUZWWHMR-OAHLLOKOSA-N 0 0 356.466 2.902 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1csc2ccccc12 ZINC000785295440 974778658 /nfs/dbraw/zinc/77/86/58/974778658.db2.gz VGSVWYWPOMHNGY-NSHDSACASA-N 0 0 370.430 2.998 20 10 FFCDRN Cc1cc(C(=O)CN2CCS(=O)(=O)C[C@H]2C)c(C)n1-c1cccc(C)c1 ZINC000085822229 975329188 /nfs/dbraw/zinc/32/91/88/975329188.db2.gz DBKWTLWJVUHRCG-MRXNPFEDSA-N 0 0 374.506 2.704 20 10 FFCDRN CCN(CC)c1ccc(CN(C)Cc2cn(C[C@@H]3CCOC3)nn2)cc1 ZINC000876551099 1014299050 /nfs/dbraw/zinc/29/90/50/1014299050.db2.gz KBEMPYRLCVMUAL-SFHVURJKSA-N 0 0 357.502 2.793 20 10 FFCDRN COc1ccc(C(=O)N2CCN(Cc3ccc(C)cc3O)CC2)cc1OC ZINC000876561783 1014304072 /nfs/dbraw/zinc/30/40/72/1014304072.db2.gz SJIXCJXELQNZFJ-UHFFFAOYSA-N 0 0 370.449 2.676 20 10 FFCDRN CN(C)c1ccc(CN(Cc2cn(C[C@H]3CCCO3)nn2)C2CC2)cc1 ZINC000876570466 1014307377 /nfs/dbraw/zinc/30/73/77/1014307377.db2.gz CZUPSVOTPJPZFX-HXUWFJFHSA-N 0 0 355.486 2.688 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N[C@H](C)c2ncnn2C)CCCC1 ZINC000649955274 1014316248 /nfs/dbraw/zinc/31/62/48/1014316248.db2.gz FENBTXSYLBCBFT-CYBMUJFWSA-N 0 0 367.453 2.535 20 10 FFCDRN CN(C)c1ccc([C@H](CNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000899100887 976926854 /nfs/dbraw/zinc/92/68/54/976926854.db2.gz CLONKTGLTWSUAB-AABGKKOBSA-N 0 0 374.529 2.708 20 10 FFCDRN Cc1cc(F)ccc1[C@H]1CCCN1C(=O)C(=O)NCCc1ccc(N)cc1 ZINC000842238391 976967252 /nfs/dbraw/zinc/96/72/52/976967252.db2.gz PKADEZDFSSHHIN-LJQANCHMSA-N 0 0 369.440 2.739 20 10 FFCDRN C[C@H](NC(=O)[C@@H]1CCCN(C(=O)NC2CCCC2)C1)c1ccccc1O ZINC000827973199 976991260 /nfs/dbraw/zinc/99/12/60/976991260.db2.gz KDZYMJRPHXLTOS-LSDHHAIUSA-N 0 0 359.470 2.934 20 10 FFCDRN Cc1cc(C(=O)N2CC[C@@](CO)(C(F)(F)F)C2)c(C)n1-c1ccccn1 ZINC000899615214 977266135 /nfs/dbraw/zinc/26/61/35/977266135.db2.gz JSRYHTZZUPPMOX-QGZVFWFLSA-N 0 0 367.371 2.876 20 10 FFCDRN Cc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)c(N)c([N+](=O)[O-])c1 ZINC000843809925 977303509 /nfs/dbraw/zinc/30/35/09/977303509.db2.gz ATRIPMKMNWPBOG-UHFFFAOYSA-N 0 0 356.382 2.591 20 10 FFCDRN Cc1cc(C(=O)CN(CCO)[C@H]2CCO[C@@H]2C)c(C)n1-c1ccc(F)cc1 ZINC000796580620 1014411369 /nfs/dbraw/zinc/41/13/69/1014411369.db2.gz RFXWCXPZKZWHJB-UZLBHIALSA-N 0 0 374.456 2.888 20 10 FFCDRN O=C(c1cnc2nccnc2c1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000759982156 977686398 /nfs/dbraw/zinc/68/63/98/977686398.db2.gz AEIVMYXXNMWCNF-MRXNPFEDSA-N 0 0 364.405 2.552 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)c1 ZINC000728949647 978033869 /nfs/dbraw/zinc/03/38/69/978033869.db2.gz AZJRPOHEFFUZND-UONOGXRCSA-N 0 0 369.421 2.567 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccnc2N2CCOCC2)c1 ZINC000729034931 978164689 /nfs/dbraw/zinc/16/46/89/978164689.db2.gz UNKICCBLNADCNW-CYBMUJFWSA-N 0 0 372.425 2.515 20 10 FFCDRN CN(C(=O)c1ccccc1S(=O)(=O)N1CCCCC1)c1ccc(N)cc1 ZINC000877080859 1014471268 /nfs/dbraw/zinc/47/12/68/1014471268.db2.gz PHTNFGICDLDCAQ-UHFFFAOYSA-N 0 0 373.478 2.720 20 10 FFCDRN CCCCN1C(=O)c2ccc(C(=O)N(C)c3ccc(N)cc3)cc2C1=O ZINC000877079456 1014471391 /nfs/dbraw/zinc/47/13/91/1014471391.db2.gz ZBPJOKQLQDMGCB-UHFFFAOYSA-N 0 0 351.406 2.942 20 10 FFCDRN Cn1c2cccc(NCc3ccc(N4CCC(O)CC4)cc3)c2oc1=O ZINC000877119975 1014480089 /nfs/dbraw/zinc/48/00/89/1014480089.db2.gz MSDUBZMYWWWGCT-UHFFFAOYSA-N 0 0 353.422 2.705 20 10 FFCDRN COc1cccc(C2(CNC(=O)C(=O)Nc3ccc(N)cc3)CCCC2)c1 ZINC000841033125 979116306 /nfs/dbraw/zinc/11/63/06/979116306.db2.gz KZUDCEMKTRUZQA-UHFFFAOYSA-N 0 0 367.449 2.844 20 10 FFCDRN COc1ccc(Cn2cc(CN(C)c3ccc(OC)c(OC)c3)nn2)cc1 ZINC000877341718 1014553994 /nfs/dbraw/zinc/55/39/94/1014553994.db2.gz FWBADODGANUJKP-UHFFFAOYSA-N 0 0 368.437 2.989 20 10 FFCDRN OC1CCN(c2ccc(CNCc3nc(-c4ccccc4)no3)cc2)CC1 ZINC000877377454 1014566352 /nfs/dbraw/zinc/56/63/52/1014566352.db2.gz MMMCJWDPYHLLDG-UHFFFAOYSA-N 0 0 364.449 2.988 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@H]2F)cc1 ZINC000897361848 979556794 /nfs/dbraw/zinc/55/67/94/979556794.db2.gz SMSSPLWXNOAUHA-RTBURBONSA-N 0 0 369.440 2.511 20 10 FFCDRN C[C@@H](CCNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001077060248 979981425 /nfs/dbraw/zinc/98/14/25/979981425.db2.gz WMKBLSLZVPVNDT-KNXALSJPSA-N 0 0 371.441 2.520 20 10 FFCDRN Cc1cc(C(=O)Nc2cc(C(=O)N(C)C)ccn2)c(C)n1-c1ccccn1 ZINC000163377931 980510282 /nfs/dbraw/zinc/51/02/82/980510282.db2.gz WMOPXKDYTDGQHE-UHFFFAOYSA-N 0 0 363.421 2.838 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cnccn1 ZINC000906318379 980626841 /nfs/dbraw/zinc/62/68/41/980626841.db2.gz XNPUHEZWNOYIIQ-QLFBSQMISA-N 0 0 372.444 2.649 20 10 FFCDRN CC1CC(C(=O)N[C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)[C@@H]2C)C1 ZINC000987558963 980769584 /nfs/dbraw/zinc/76/95/84/980769584.db2.gz NEDVSRZFYFFZSA-MENKECLHSA-N 0 0 371.441 2.614 20 10 FFCDRN C[C@H]1C(=O)Nc2ccccc2CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877706532 1014693412 /nfs/dbraw/zinc/69/34/12/1014693412.db2.gz NOFFPNKGHAAGCP-INIZCTEOSA-N 0 0 365.477 2.991 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)N1Cc2ccccc2C1=O ZINC000906713876 981128151 /nfs/dbraw/zinc/12/81/51/981128151.db2.gz KOCXAPQDEXXXCX-OAHLLOKOSA-N 0 0 351.450 2.722 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc4c(C)nn(C)c4s3)CC2)cc1 ZINC000054452420 981179886 /nfs/dbraw/zinc/17/98/86/981179886.db2.gz HIQPVXUJZXQHDM-UHFFFAOYSA-N 0 0 370.478 2.914 20 10 FFCDRN CN(CCCCC(=O)NCCc1ccc(O)c(O)c1)C(=O)OC(C)(C)C ZINC000907056595 981191971 /nfs/dbraw/zinc/19/19/71/981191971.db2.gz KGOBKZSCCYMXIQ-UHFFFAOYSA-N 0 0 366.458 2.794 20 10 FFCDRN C[C@H](NC(=O)c1cccn(CC(F)(F)F)c1=O)c1ccc(N(C)C)cc1 ZINC000907492632 981257451 /nfs/dbraw/zinc/25/74/51/981257451.db2.gz LGCILZDSOSJJIN-LBPRGKRZSA-N 0 0 367.371 2.968 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCc1cn[nH]c1 ZINC000907762958 981287603 /nfs/dbraw/zinc/28/76/03/981287603.db2.gz IQRIGNHABRFFFG-UHFFFAOYSA-N 0 0 372.469 2.731 20 10 FFCDRN COc1ccc2c(c1)CCCN2C[C@H](O)COc1cccc([N+](=O)[O-])c1 ZINC000027960015 981767510 /nfs/dbraw/zinc/76/75/10/981767510.db2.gz IAFMSCXKCCKISH-INIZCTEOSA-N 0 0 358.394 2.796 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3csc(-c4ncc[nH]4)n3)CC2)cc1 ZINC000877918472 1014765938 /nfs/dbraw/zinc/76/59/38/1014765938.db2.gz CFZRHFTYPMNYOJ-UHFFFAOYSA-N 0 0 369.450 2.504 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000175024884 982039111 /nfs/dbraw/zinc/03/91/11/982039111.db2.gz HRDCZLQQFQTWMM-KRWDZBQOSA-N 0 0 353.422 2.977 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(C(=O)NCc3ccc(O)cc3O)cc2)C[C@H](C)O1 ZINC000910952009 982097240 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ZINC000845159711 998411349 /nfs/dbraw/zinc/41/13/49/998411349.db2.gz GSYWGJRVLWUXEH-UHFFFAOYSA-N 0 0 374.481 2.857 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2COc3ccccc32)cc1 ZINC000845200725 998422459 /nfs/dbraw/zinc/42/24/59/998422459.db2.gz MTGONQMOPKKXIC-INIZCTEOSA-N 0 0 369.465 2.949 20 10 FFCDRN CCn1ccnc1[C@@H](C)NC(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000845237802 998448206 /nfs/dbraw/zinc/44/82/06/998448206.db2.gz FVMRGUXNZIQFEH-OAHLLOKOSA-N 0 0 359.474 2.750 20 10 FFCDRN O=C1Cc2c(nc(Cl)nc2NCc2cc(Br)ccc2O)N1 ZINC001171174082 998459661 /nfs/dbraw/zinc/45/96/61/998459661.db2.gz GYIUHHYDUZPZSL-UHFFFAOYSA-N 0 0 369.606 2.705 20 10 FFCDRN CC(=O)NCc1ccc(NCc2cc(Br)ccc2O)nc1 ZINC001171174210 998466128 /nfs/dbraw/zinc/46/61/28/998466128.db2.gz NCOGDAMIKISYDH-UHFFFAOYSA-N 0 0 350.216 2.798 20 10 FFCDRN COCCOCCOC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC000845298556 998488922 /nfs/dbraw/zinc/48/89/22/998488922.db2.gz NRBASBKJVKVQCJ-UHFFFAOYSA-N 0 0 361.438 2.735 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-n2nnnc2C)cc1 ZINC000845311344 998498084 /nfs/dbraw/zinc/49/80/84/998498084.db2.gz WIOWYSKPGVUXTE-UHFFFAOYSA-N 0 0 364.453 2.699 20 10 FFCDRN CC(C)Cn1cc(NCc2cc(Br)ccc2O)ncc1=O ZINC001171176464 998512634 /nfs/dbraw/zinc/51/26/34/998512634.db2.gz PEBLQUXAHJIOJQ-UHFFFAOYSA-N 0 0 352.232 2.980 20 10 FFCDRN CC[C@@H](C)CN(C)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000732243784 998550572 /nfs/dbraw/zinc/55/05/72/998550572.db2.gz TYJBHTOEKWSTHU-QGZVFWFLSA-N 0 0 362.518 2.505 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N[C@H](c1ccccc1)C1(CO)CC=CC1 ZINC001144492670 998605556 /nfs/dbraw/zinc/60/55/56/998605556.db2.gz LLNSBXHYHIDKRK-HXUWFJFHSA-N 0 0 353.418 2.827 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)Cc3cn4c(n3)CCCC4)C2)cc1 ZINC000845612505 998616471 /nfs/dbraw/zinc/61/64/71/998616471.db2.gz XMVHCFWGDWOSNA-MRXNPFEDSA-N 0 0 369.465 2.840 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](C(N)=O)Cc3ccccc32)c(C)n1-c1ccccn1 ZINC000732760513 998763592 /nfs/dbraw/zinc/76/35/92/998763592.db2.gz 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FFCDRN Cc1cc(C(=O)CN(C)[C@@H]2CCN(C)C2=O)c(C)n1-c1cccc(C)c1 ZINC000738331559 999624194 /nfs/dbraw/zinc/62/41/94/999624194.db2.gz LJFOLBHMDDPPEJ-LJQANCHMSA-N 0 0 353.466 2.748 20 10 FFCDRN O=C(CN(Cc1ccco1)Cc1ccccc1O)N1CCOC[C@H]1C1CC1 ZINC000766253599 999672180 /nfs/dbraw/zinc/67/21/80/999672180.db2.gz VOORGLOHNICFCG-IBGZPJMESA-N 0 0 370.449 2.625 20 10 FFCDRN O=C(NCc1ccccc1O)Nc1ccccc1OCCn1ccnc1 ZINC000740454224 999674681 /nfs/dbraw/zinc/67/46/81/999674681.db2.gz QTODRKWUUFHJRG-UHFFFAOYSA-N 0 0 352.394 2.989 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Cc3ccn(C(C)C)n3)CC2)cc1 ZINC000740702561 999680895 /nfs/dbraw/zinc/68/08/95/999680895.db2.gz XQPXEBPVBPVQIB-UHFFFAOYSA-N 0 0 356.470 2.800 20 10 FFCDRN C[C@@H](O)[C@H](C)SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000742458267 999775405 /nfs/dbraw/zinc/77/54/05/999775405.db2.gz GEKYUKFTEUDGHQ-NEPJUHHUSA-N 0 0 369.442 2.903 20 10 FFCDRN CCOc1c(F)cccc1C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000742572401 999778220 /nfs/dbraw/zinc/77/82/20/999778220.db2.gz 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FFCDRN COc1ccc2c(c1)OC[C@H](NC(=O)N[C@H](C)c1cc(OC)ccc1O)C2 ZINC000768107597 1000181862 /nfs/dbraw/zinc/18/18/62/1000181862.db2.gz VFDITDJHKGURNO-TZMCWYRMSA-N 0 0 372.421 2.773 20 10 FFCDRN COc1cccc(CN2CCn3c(Cc4ccccc4F)nnc3C2)c1O ZINC000846019783 1000194649 /nfs/dbraw/zinc/19/46/49/1000194649.db2.gz WVDBINNCGHFFPJ-UHFFFAOYSA-N 0 0 368.412 2.738 20 10 FFCDRN CCOc1ccc(CN2CCN(C(=O)c3cccc(F)c3)CC2)c(O)c1 ZINC000768252477 1000200720 /nfs/dbraw/zinc/20/07/20/1000200720.db2.gz PCSKHJVQZXKNAA-UHFFFAOYSA-N 0 0 358.413 2.888 20 10 FFCDRN CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846251829 1000245262 /nfs/dbraw/zinc/24/52/62/1000245262.db2.gz KHLFLBFTJANYHJ-INIZCTEOSA-N 0 0 368.437 2.976 20 10 FFCDRN COc1cc(CN2Cc3c(OC)ccc(OC)c3[C@@H](O)C2)c(O)cc1C ZINC000768441906 1000249505 /nfs/dbraw/zinc/24/95/05/1000249505.db2.gz QKVDKVHYQRYXOS-INIZCTEOSA-N 0 0 359.422 2.776 20 10 FFCDRN COC1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])cc2)CC1 ZINC000846279247 1000252170 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FFCDRN CCOC(=O)c1cc(N(Cc2ccccc2O)C[C@@H]2CCCO2)nc(C)n1 ZINC000882137520 1006306889 /nfs/dbraw/zinc/30/68/89/1006306889.db2.gz MREDTCGURDALQR-INIZCTEOSA-N 0 0 371.437 2.853 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)OC[C@H]3CCC(=O)NC3)ccc21 ZINC000853143578 1006312278 /nfs/dbraw/zinc/31/22/78/1006312278.db2.gz WJXQPYRTNVTMJI-HNNXBMFYSA-N 0 0 358.438 2.588 20 10 FFCDRN CCc1ncnc(CC)c1C(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000814722075 1006416469 /nfs/dbraw/zinc/41/64/69/1006416469.db2.gz IXHWRGWNULXCOU-UHFFFAOYSA-N 0 0 354.454 2.572 20 10 FFCDRN COc1ccc(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)cn1 ZINC000747973254 1006422797 /nfs/dbraw/zinc/42/27/97/1006422797.db2.gz LHOBBWMWOPLTBT-UHFFFAOYSA-N 0 0 352.438 2.808 20 10 FFCDRN Cc1cc(CN(CC(=O)N2CCCC2)C[C@@H]2CCCO2)ccc1N(C)C ZINC000815054465 1006499227 /nfs/dbraw/zinc/49/92/27/1006499227.db2.gz HPTXAXAOXRSXBM-IBGZPJMESA-N 0 0 359.514 2.664 20 10 FFCDRN COC(=O)c1ccc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc1OC ZINC000853758180 1006527875 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FFCDRN Cc1cc(Cc2nc([C@H]3CCS(=O)(=O)C3)no2)c(C)n1-c1ccccc1 ZINC000854020057 1006632571 /nfs/dbraw/zinc/63/25/71/1006632571.db2.gz IDENKIFKLIWXJB-HNNXBMFYSA-N 0 0 371.462 2.970 20 10 FFCDRN COCCn1nc(C)c(NCc2ccc(N3CCC(O)CC3)cc2)c1C ZINC000883083539 1006634306 /nfs/dbraw/zinc/63/43/06/1006634306.db2.gz PFCKNURAOJTZMD-UHFFFAOYSA-N 0 0 358.486 2.720 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cccc(C2CC2)n1 ZINC000815500180 1006658511 /nfs/dbraw/zinc/65/85/11/1006658511.db2.gz SJVJJJXFLYMUGE-UHFFFAOYSA-N 0 0 352.438 2.588 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000883185848 1006691652 /nfs/dbraw/zinc/69/16/52/1006691652.db2.gz FXFJZUUETFMUBC-IEBWSBKVSA-N 0 0 361.486 2.528 20 10 FFCDRN C[C@H](NC(=O)NC[C@H]1CCC2(CCC2)O1)c1ccc(N2CCOCC2)cc1 ZINC000883209276 1006704463 /nfs/dbraw/zinc/70/44/63/1006704463.db2.gz YWWMALHIJKVCLI-QFBILLFUSA-N 0 0 373.497 2.985 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@@H](C)c2ccccn2)cc1 ZINC000854257996 1006744650 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FFCDRN COc1ccc(N2CCN(C(=O)c3ccnn3C3CCC3)CC2)c(OC)c1 ZINC000827950776 1019457993 /nfs/dbraw/zinc/45/79/93/1019457993.db2.gz TXWKEHWEYNXLGG-UHFFFAOYSA-N 0 0 370.453 2.588 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@](C)(O)c1ccc(F)cc1 ZINC000929537714 1019492018 /nfs/dbraw/zinc/49/20/18/1019492018.db2.gz RVJFGSUAJCHLCN-OAQYLSRUSA-N 0 0 372.440 2.528 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1 ZINC000827957865 1020125833 /nfs/dbraw/zinc/12/58/33/1020125833.db2.gz WEMIZNSEVQYKEI-WOJBJXKFSA-N 0 0 354.450 2.834 20 10 FFCDRN C[C@H](NC(=O)c1cc(C(F)F)ncn1)c1ccc(N2CCOCC2)cc1 ZINC000930745464 1020158827 /nfs/dbraw/zinc/15/88/27/1020158827.db2.gz YSXZQMWBGFKSFZ-LBPRGKRZSA-N 0 0 362.380 2.742 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2nnc(-c3ccccc3)[nH]2)cc1 ZINC000725856308 1020271323 /nfs/dbraw/zinc/27/13/23/1020271323.db2.gz IABJHMLWKDQFKF-UHFFFAOYSA-N 0 0 350.426 2.537 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC000931202984 1020368847 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CN(Cc1ccccc1O)c1nnc(C(C)(C)O)n1Cc1ccccc1 ZINC001340771009 1051122961 /nfs/dbraw/zinc/12/29/61/1051122961.db2.gz RZJXNAMIJIZQFK-UHFFFAOYSA-N 0 0 352.438 2.896 20 10 FFCDRN COc1cc(C=O)ccc1OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000747838067 1051224461 /nfs/dbraw/zinc/22/44/61/1051224461.db2.gz VLHYZAVZEOPMPW-UHFFFAOYSA-N 0 0 356.422 2.611 20 10 FFCDRN CC[C@H]([NH2+]Cc1cccc([C@@]2(C)NC(=O)NC2=O)c1)c1ccc(F)cc1[O-] ZINC001340981644 1051315647 /nfs/dbraw/zinc/31/56/47/1051315647.db2.gz QFMWIIDKIJEGGK-OXJNMPFZSA-N 0 0 371.412 2.827 20 10 FFCDRN Cc1nc(CC(F)(F)F)sc1CC(=O)NCc1c(O)cccc1O ZINC001304054847 1051517194 /nfs/dbraw/zinc/51/71/94/1051517194.db2.gz ZXDQRGVMTIBJSJ-UHFFFAOYSA-N 0 0 360.357 2.826 20 10 FFCDRN COc1cccc(C2=NO[C@H](C(=O)NCc3cccc(Cl)c3O)C2)c1 ZINC001305084045 1051801128 /nfs/dbraw/zinc/80/11/28/1051801128.db2.gz FPICDKOEEVIPIX-INIZCTEOSA-N 0 0 360.797 2.864 20 10 FFCDRN CC(C)C[C@H](C(=O)NCc1ccc(N)cc1)N1Cc2ccccc2C1=O ZINC001343494517 1052265814 /nfs/dbraw/zinc/26/58/14/1052265814.db2.gz 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CC[C@@H](CO)NC(=O)c1ccc(NCc2ccc(OC)c(OC)c2O)cc1 ZINC001308727182 1052492027 /nfs/dbraw/zinc/49/20/27/1052492027.db2.gz SDFXMFYDAFHFBR-HNNXBMFYSA-N 0 0 374.437 2.522 20 10 FFCDRN O=C(N1C[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3[O-])C[C@H]2C1)C(F)(F)F ZINC001308765906 1052496819 /nfs/dbraw/zinc/49/68/19/1052496819.db2.gz LCURWTGHWFLQNT-ONGXEEELSA-N 0 0 364.314 2.513 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cc(C3CCOCC3)nn2C)cc1 ZINC001345547706 1052502661 /nfs/dbraw/zinc/50/26/61/1052502661.db2.gz LMNJTTINAZMXMO-UHFFFAOYSA-N 0 0 356.470 2.652 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3ncoc3[C@@H]3CCCO3)C2)cc1 ZINC001345629276 1052546044 /nfs/dbraw/zinc/54/60/44/1052546044.db2.gz QUCFXTOMHQRATC-YOEHRIQHSA-N 0 0 371.437 2.791 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@H](C)Oc3ccccn3)CC2)cc1 ZINC001344112322 1052603418 /nfs/dbraw/zinc/60/34/18/1052603418.db2.gz BWTJRDBXPOKROC-INIZCTEOSA-N 0 0 355.438 2.596 20 10 FFCDRN C[NH+](C)[C@@H]1CC[C@@H]2CN(c3ccc(/C=C/C(=O)[O-])cc3[N+](=O)[O-])C[C@@H]2C1 ZINC001334928607 1053153686 /nfs/dbraw/zinc/15/36/86/1053153686.db2.gz JSFHNUDLUWWOFS-GWBWQHIQSA-N 0 0 359.426 2.859 20 10 FFCDRN CN(C)c1cccnc1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC001543098572 1071380440 /nfs/dbraw/zinc/38/04/40/1071380440.db2.gz BILOLEQURZIXEF-UHFFFAOYSA-N 0 0 356.495 2.631 20 10 FFCDRN CN(Cc1ccccn1)c1nnc(C2SC=CC2=O)n1C[C@H]1CCOC1 ZINC001346929448 1053452732 /nfs/dbraw/zinc/45/27/32/1053452732.db2.gz FJOWPCVHDWYYQR-CYBMUJFWSA-N 0 0 371.466 2.780 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CC3CC(F)(F)C3)CC2)c(OC)c1 ZINC001336675783 1054130752 /nfs/dbraw/zinc/13/07/52/1054130752.db2.gz BOUJTGLGASSHHW-UHFFFAOYSA-N 0 0 354.397 2.788 20 10 FFCDRN CC(C)CN(CC(C)(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC001337057437 1054446512 /nfs/dbraw/zinc/44/65/12/1054446512.db2.gz IYFUNBCXFARFPU-UHFFFAOYSA-N 0 0 356.488 2.908 20 10 FFCDRN CC(C)(C)OC(=O)N(CCC(=O)NCc1cccc(O)c1O)C1CC1 ZINC001348048833 1054592087 /nfs/dbraw/zinc/59/20/87/1054592087.db2.gz XLJKOVVJJBNBNG-UHFFFAOYSA-N 0 0 350.415 2.504 20 10 FFCDRN COc1c(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cnn1C ZINC001348488645 1054734516 /nfs/dbraw/zinc/73/45/16/1054734516.db2.gz OWXAULVBKFTBSF-UHFFFAOYSA-N 0 0 367.405 2.876 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)Cc3cccc4nsnc43)C2)cc1 ZINC001348862637 1054968000 /nfs/dbraw/zinc/96/80/00/1054968000.db2.gz DOEOXJNJRSWGKN-CQSZACIVSA-N 0 0 368.462 2.638 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1ccc(N2CCCCC2)c(F)c1 ZINC001337722785 1054970122 /nfs/dbraw/zinc/97/01/22/1054970122.db2.gz AMJDJZBKAMOOST-UHFFFAOYSA-N 0 0 371.412 2.777 20 10 FFCDRN CCCN(CC)C(=O)c1ccc(C(=O)NCc2cccc(O)c2O)cc1 ZINC001349078531 1055079265 /nfs/dbraw/zinc/07/92/65/1055079265.db2.gz HZPVDSYUGAKGCF-UHFFFAOYSA-N 0 0 356.422 2.900 20 10 FFCDRN COC(=O)CSCCC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001349107192 1055097323 /nfs/dbraw/zinc/09/73/23/1055097323.db2.gz WFKXCCFKVLPNSA-UHFFFAOYSA-N 0 0 350.484 2.542 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCc3ccccc3NC2=O)cc1 ZINC000847276184 1055368523 /nfs/dbraw/zinc/36/85/23/1055368523.db2.gz 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ZINC001338514253 1055582523 /nfs/dbraw/zinc/58/25/23/1055582523.db2.gz TZNXSQZKQYJJRX-GFCCVEGCSA-N 0 0 360.385 2.964 20 10 FFCDRN C[C@@H]1CN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC(C)(C)O1 ZINC001338588676 1055647745 /nfs/dbraw/zinc/64/77/45/1055647745.db2.gz MJLBCFIKIMVNPA-SNVBAGLBSA-N 0 0 359.455 2.801 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc2c(n1)OCCO2 ZINC000847400316 1055700224 /nfs/dbraw/zinc/70/02/24/1055700224.db2.gz MERRBCFWHNDQHS-UHFFFAOYSA-N 0 0 353.422 2.773 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2COc3ccccc3C2)n1C ZINC001350355460 1055739358 /nfs/dbraw/zinc/73/93/58/1055739358.db2.gz VDZWTLIMFIWWDX-MRXNPFEDSA-N 0 0 350.422 2.876 20 10 FFCDRN CCn1[nH]c(C)nc1=NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001300122201 1055822545 /nfs/dbraw/zinc/82/25/45/1055822545.db2.gz AXMLKAWCNYXYRS-UHFFFAOYSA-N 0 0 351.410 2.501 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc(C)c(C(C)=O)c2)c1 ZINC000847486991 1055905474 /nfs/dbraw/zinc/90/54/74/1055905474.db2.gz NXQORWWKGLODLP-GFCCVEGCSA-N 0 0 370.405 2.728 20 10 FFCDRN Cc1cc(CNC(=O)c2cccc(-n3cncn3)n2)c(C)n1-c1ccccc1 ZINC001544086960 1071593860 /nfs/dbraw/zinc/59/38/60/1071593860.db2.gz NYMWVHGPQPSCND-UHFFFAOYSA-N 0 0 372.432 3.000 20 10 FFCDRN C[C@@H](CO)c1nnc(N(C)Cc2ccccc2O)n1CCc1ccccc1 ZINC001357979823 1056087355 /nfs/dbraw/zinc/08/73/55/1056087355.db2.gz CUAWHKHSGIBFEH-INIZCTEOSA-N 0 0 366.465 2.959 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC001353127293 1056094579 /nfs/dbraw/zinc/09/45/79/1056094579.db2.gz QDLUWTIYJKRYLI-IBGZPJMESA-N 0 0 373.497 2.624 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C)O[C@@]2(CCO[C@@H]2C)C1 ZINC001339368287 1056382610 /nfs/dbraw/zinc/38/26/10/1056382610.db2.gz WKONHBOIXXKFNH-JKDFXYPNSA-N 0 0 364.471 2.505 20 10 FFCDRN CNC(=O)c1cccc(CCNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001544328761 1071627991 /nfs/dbraw/zinc/62/79/91/1071627991.db2.gz IGKCUNRKTFYTKJ-UHFFFAOYSA-N 0 0 370.430 2.645 20 10 FFCDRN Cc1ccccc1N1CCN(c2nnc(C3SC=CC3=O)n2C)CC1 ZINC001339458573 1056474716 /nfs/dbraw/zinc/47/47/16/1056474716.db2.gz QETKWCRIGHYSBA-UHFFFAOYSA-N 0 0 355.467 2.884 20 10 FFCDRN C[C@H](NC(=O)[C@H]1CNc2ccccc21)c1ccc(N2CCOCC2)cc1 ZINC001353517987 1056487747 /nfs/dbraw/zinc/48/77/47/1056487747.db2.gz LUTUATCESYUXML-KXBFYZLASA-N 0 0 351.450 2.910 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1c[nH]c(Br)c1 ZINC001339562685 1056586928 /nfs/dbraw/zinc/58/69/28/1056586928.db2.gz SRHAKQSYOMGUBW-UHFFFAOYSA-N 0 0 350.216 2.882 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C[C@H]1C(=O)Nc2ccc(F)cc21 ZINC001544577316 1071663092 /nfs/dbraw/zinc/66/30/92/1071663092.db2.gz KYELNURQBWNGFA-OAHLLOKOSA-N 0 0 369.396 2.743 20 10 FFCDRN COc1ccc(N2CC[C@@H](N3C(=O)CN(Cc4ccccc4)C3=O)C2)cc1 ZINC000849357685 1056841349 /nfs/dbraw/zinc/84/13/49/1056841349.db2.gz OAMMIESUJDJRNG-GOSISDBHSA-N 0 0 365.433 2.738 20 10 FFCDRN CCC[C@]12CCCN1C(=O)N([C@H]1CCN(c3ccc(OC)cc3)C1)C2=O ZINC000849355873 1056841516 /nfs/dbraw/zinc/84/15/16/1056841516.db2.gz BRQINWMCVZKROU-OXJNMPFZSA-N 0 0 357.454 2.871 20 10 FFCDRN 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COc1cc(C(=O)NCc2ccc3cccnc3c2O)c([N+](=O)[O-])cc1F ZINC001557123985 1075811246 /nfs/dbraw/zinc/81/12/46/1075811246.db2.gz SBGWBLOSESDAHQ-UHFFFAOYSA-N 0 0 371.324 2.926 20 10 FFCDRN Cc1nn(C)c2nc(C)cc(C(=O)NCc3ccc4cccnc4c3O)c12 ZINC001557124251 1075811387 /nfs/dbraw/zinc/81/13/87/1075811387.db2.gz XKEZQMLLDSEYRV-UHFFFAOYSA-N 0 0 361.405 2.769 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1c(Cl)ccnc1Br ZINC001558175366 1075956432 /nfs/dbraw/zinc/95/64/32/1075956432.db2.gz NWFJUAYSQWWFBB-UHFFFAOYSA-N 0 0 357.591 2.839 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(C)(C)[C@H]1C(=O)NCc1cc(O)ccc1O ZINC001558175145 1075956615 /nfs/dbraw/zinc/95/66/15/1075956615.db2.gz FHNMXJIPBGHTQA-OAHLLOKOSA-N 0 0 364.442 2.750 20 10 FFCDRN C[C@H](C(=O)NCc1cc(O)ccc1O)N(C(=O)OC(C)(C)C)C1CC1 ZINC001558175404 1075956653 /nfs/dbraw/zinc/95/66/53/1075956653.db2.gz PEMMIRVLZCMCFC-LLVKDONJSA-N 0 0 350.415 2.502 20 10 FFCDRN C[C@@H]1C[C@H](C(=O)NCc2c(O)cccc2O)CCN1C(=O)OC(C)(C)C ZINC001558536160 1076027795 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FFCDRN COc1c([O-])c(C[NH2+][C@H](C)[C@@H](O)c2ccc(F)cc2)ccc1[N+](=O)[O-] ZINC000278854980 511012027 /nfs/dbraw/zinc/01/20/27/511012027.db2.gz LKPZLVZFYYBVEI-MEBBXXQBSA-N 0 0 350.346 2.660 20 10 FFCDRN COc1cc(NCc2ccc([N+](=O)[O-])c(OC)c2O)cc(OC)c1OC ZINC000278948999 511015284 /nfs/dbraw/zinc/01/52/84/511015284.db2.gz ZBKGXIMQCYHAFJ-UHFFFAOYSA-N 0 0 364.354 2.947 20 10 FFCDRN CCCNC(=O)CN1CCC([NH2+][C@@H](CC)c2ccc(F)cc2[O-])CC1 ZINC000285795673 511015508 /nfs/dbraw/zinc/01/55/08/511015508.db2.gz UYBGXXKAOPQSRV-KRWDZBQOSA-N 0 0 351.466 2.563 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](O)C(F)(F)F ZINC000270889219 511016622 /nfs/dbraw/zinc/01/66/22/511016622.db2.gz OSIHWOCISOYXGS-CABCVRRESA-N 0 0 359.392 2.788 20 10 FFCDRN CC[C@@H]1CN(c2ccc(/C=C/C(=O)OC)cc2[N+](=O)[O-])C[C@H](C)[S@@]1=O ZINC000286457464 511025269 /nfs/dbraw/zinc/02/52/69/511025269.db2.gz UQSIVOBWYAIDIH-XBYMKIBWSA-N 0 0 366.439 2.517 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC(=O)NC23CCC3)cc1 ZINC000282567564 511028999 /nfs/dbraw/zinc/02/89/99/511028999.db2.gz AKMLSFQIASMYDH-KRWDZBQOSA-N 0 0 358.486 2.533 20 10 FFCDRN CCOC1CC2(C1)CCN(C(=O)NCc1ccc(N3CCOCC3)cc1)C2 ZINC000286742149 511031393 /nfs/dbraw/zinc/03/13/93/511031393.db2.gz CUWMJFTWQXVSTK-UHFFFAOYSA-N 0 0 373.497 2.624 20 10 FFCDRN C[C@@H]1OCC[C@]12CN(C(=O)NCc1ccc3c(c1)CCCN3C)C[C@@H](C)O2 ZINC000279311612 511040579 /nfs/dbraw/zinc/04/05/79/511040579.db2.gz OKACPBQHIHGDJX-XFQAVAEZSA-N 0 0 373.497 2.547 20 10 FFCDRN CC(C)[C@H]1CN(C(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCCO1 ZINC000294381679 511046532 /nfs/dbraw/zinc/04/65/32/511046532.db2.gz LNGIDERUEOFFBW-AQDCRGGLSA-N 0 0 358.482 2.810 20 10 FFCDRN CC[C@@H](NC(=O)C(=O)N(CC)Cc1ccc(N(C)C)cc1)c1ccncc1 ZINC000287382335 511048041 /nfs/dbraw/zinc/04/80/41/511048041.db2.gz QUEXJLLIFVXCTA-LJQANCHMSA-N 0 0 368.481 2.764 20 10 FFCDRN CC[C@@H](Nc1cccc(C(=O)N(C)CC(N)=O)c1)c1ccc(F)cc1O ZINC000287578231 511052736 /nfs/dbraw/zinc/05/27/36/511052736.db2.gz QXGRIDHGNMRFJU-MRXNPFEDSA-N 0 0 359.401 2.652 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)C2CC2)cc1 ZINC000287634799 511054428 /nfs/dbraw/zinc/05/44/28/511054428.db2.gz OHYCMDPBWPKBEL-NKFKGCMQSA-N 0 0 364.453 2.604 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H](c1nncn1C)C(C)C ZINC000288617633 511081447 /nfs/dbraw/zinc/08/14/47/511081447.db2.gz ZZFVDIYMCPKSFA-QGZVFWFLSA-N 0 0 358.490 2.810 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCC[C@@H]1CCCCO1 ZINC000288828010 511088012 /nfs/dbraw/zinc/08/80/12/511088012.db2.gz CWISGDLBULHYGW-KRWDZBQOSA-N 0 0 362.470 2.596 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCOC[C@H]1[C@H]1CCCO1 ZINC000332820241 511120026 /nfs/dbraw/zinc/12/00/26/511120026.db2.gz AFTJMSNDNSKBPF-RBUKOAKNSA-N 0 0 357.454 2.576 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CC[C@H](n3cc(C)cn3)C2)c([N+](=O)[O-])c1 ZINC000290658266 511147328 /nfs/dbraw/zinc/14/73/28/511147328.db2.gz GZTGIVCTOKAJLH-DRDHIDPGSA-N 0 0 356.382 2.737 20 10 FFCDRN CO[C@H](C)[C@@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000290804513 511152070 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355.438 2.793 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)Cc1ccccn1 ZINC000298386567 511267225 /nfs/dbraw/zinc/26/72/25/511267225.db2.gz SOXZTUFLFJGWRB-UHFFFAOYSA-N 0 0 368.481 2.543 20 10 FFCDRN C[C@H]1C[C@@H](C(=O)NCc2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC000279935494 511273650 /nfs/dbraw/zinc/27/36/50/511273650.db2.gz OGSVESOYVPKBKA-JSGCOSHPSA-N 0 0 364.442 2.750 20 10 FFCDRN O=C(NCc1ccco1)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000283243796 511291512 /nfs/dbraw/zinc/29/15/12/511291512.db2.gz WLUPCXFDZUWMJR-UHFFFAOYSA-N 0 0 356.422 2.963 20 10 FFCDRN CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2c(F)ccc(O)c2O)n1 ZINC000295134148 511293806 /nfs/dbraw/zinc/29/38/06/511293806.db2.gz ILJHAJMXWYAIJZ-SNVBAGLBSA-N 0 0 367.377 2.626 20 10 FFCDRN C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1c(F)ccc(O)c1O ZINC000295259258 511340103 /nfs/dbraw/zinc/34/01/03/511340103.db2.gz DCAOABPCAIGCPF-SNVBAGLBSA-N 0 0 356.394 2.660 20 10 FFCDRN Cc1cc(Br)cc(CN2C[C@@H](C)O[C@@]3(CCOC3)C2)c1O ZINC000280144118 511352484 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COc1ccccc1OCC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000298818935 511418954 /nfs/dbraw/zinc/41/89/54/511418954.db2.gz ZPLLBVYRKWJTPD-QGZVFWFLSA-N 0 0 371.433 2.987 20 10 FFCDRN CCOc1ccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000298843077 511427953 /nfs/dbraw/zinc/42/79/53/511427953.db2.gz DPUGLCCLXODJJS-UHFFFAOYSA-N 0 0 372.440 2.920 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3ccnn3C)cc2F)C[C@H](C)O1 ZINC000298865880 511436240 /nfs/dbraw/zinc/43/62/40/511436240.db2.gz QUWLFUHCTBGFRW-GWJAVYCQSA-N 0 0 372.444 2.502 20 10 FFCDRN CCn1ncc(C(=O)N(Cc2ccc(N(C)C)cc2)CC(F)(F)F)n1 ZINC000298875665 511438931 /nfs/dbraw/zinc/43/89/31/511438931.db2.gz YRTDCDRMGCJDAS-UHFFFAOYSA-N 0 0 355.364 2.569 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](C(=O)NCc2ccc(O)c(O)c2)C1 ZINC000272201550 511462682 /nfs/dbraw/zinc/46/26/82/511462682.db2.gz AQPKGARMYSPYAD-UONOGXRCSA-N 0 0 364.442 2.798 20 10 FFCDRN Cc1nccn1CCCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000298954208 511464332 /nfs/dbraw/zinc/46/43/32/511464332.db2.gz 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/nfs/dbraw/zinc/50/12/59/511501259.db2.gz UTLQTUMEBGBYOX-GHVJWSGMSA-N 0 0 370.409 2.556 20 10 FFCDRN COC(=O)CCCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000272618889 511501393 /nfs/dbraw/zinc/50/13/93/511501393.db2.gz QFFRCRFBRGILHW-GOSISDBHSA-N 0 0 362.470 2.604 20 10 FFCDRN O=C(NCCCOCCOCc1ccccc1)NCc1ccccc1O ZINC000272636265 511502573 /nfs/dbraw/zinc/50/25/73/511502573.db2.gz ZKEZWYSXMZSLOC-UHFFFAOYSA-N 0 0 358.438 2.815 20 10 FFCDRN C[C@@H]1CN(C(=O)/C=C/c2ccc(O)c(O)c2)CCN1C(=O)OC(C)(C)C ZINC000272666627 511503678 /nfs/dbraw/zinc/50/36/78/511503678.db2.gz PNWFODZFDZXCHN-STMXVASLSA-N 0 0 362.426 2.579 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000273158678 511519528 /nfs/dbraw/zinc/51/95/28/511519528.db2.gz JWSHJFYJVRGOAC-ZDUSSCGKSA-N 0 0 371.433 2.894 20 10 FFCDRN CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc(OC)ccc2O)c1 ZINC000273299188 511522323 /nfs/dbraw/zinc/52/23/23/511522323.db2.gz AUZRDDCKHZPIFM-AWEZNQCLSA-N 0 0 358.438 2.767 20 10 FFCDRN Cc1ccc([C@@H](C)Nc2cccc(C(=O)NCCC(N)=O)c2)c(O)c1C ZINC000273501746 511529047 /nfs/dbraw/zinc/52/90/47/511529047.db2.gz YWQHINLOZMZYPV-CQSZACIVSA-N 0 0 355.438 2.787 20 10 FFCDRN C[C@H]([NH2+]CC1(N2CCCCC2)CCOCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273524511 511531120 /nfs/dbraw/zinc/53/11/20/511531120.db2.gz UXJMSIYELWLMGO-HNNXBMFYSA-N 0 0 363.458 2.986 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cnn(C(C)(C)C)c3)CC2)cc1 ZINC000365573863 511536153 /nfs/dbraw/zinc/53/61/53/511536153.db2.gz IMUGUUUHFHUSDJ-UHFFFAOYSA-N 0 0 356.470 2.999 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C1CCN(CC(F)F)CC1 ZINC000280698818 511566895 /nfs/dbraw/zinc/56/68/95/511566895.db2.gz FCYJGRPPAKBPCW-UHFFFAOYSA-N 0 0 351.441 2.880 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@H](C)c2nccs2)cc1 ZINC000284070354 511595252 /nfs/dbraw/zinc/59/52/52/511595252.db2.gz NBWGKPVVPAXVKP-AWEZNQCLSA-N 0 0 374.510 2.525 20 10 FFCDRN COc1cc(Cl)cc(CN2CCS(=O)(=O)C3(CCCCC3)C2)c1O ZINC000273792818 511610715 /nfs/dbraw/zinc/61/07/15/511610715.db2.gz VTMWLUHHUOOHQW-UHFFFAOYSA-N 0 0 373.902 2.988 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 ZINC000363539539 511615645 /nfs/dbraw/zinc/61/56/45/511615645.db2.gz LUTFPQUHIWQCGG-AWEZNQCLSA-N 0 0 354.406 2.608 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1C[C@H]1CCCO1 ZINC000296089855 511616780 /nfs/dbraw/zinc/61/67/80/511616780.db2.gz ULOWSBFHACHIFR-NVXWUHKLSA-N 0 0 358.442 2.651 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(C)(C)S(=O)(=O)C2CC2)cc1 ZINC000284172135 511630700 /nfs/dbraw/zinc/63/07/00/511630700.db2.gz XKYHNYZCBFNVQE-UHFFFAOYSA-N 0 0 352.500 2.505 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ncc(C(F)(F)F)cn2)cc1 ZINC000296177286 511645264 /nfs/dbraw/zinc/64/52/64/511645264.db2.gz BVVAPPLTODXVEA-UHFFFAOYSA-N 0 0 353.348 2.561 20 10 FFCDRN Cc1ccc([C@H](C)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c(O)c1C ZINC000284237203 511652056 /nfs/dbraw/zinc/65/20/56/511652056.db2.gz DWVAFWCNBKXWSO-AWEZNQCLSA-N 0 0 355.438 2.739 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)CCc3ccccc3N)CC2)cc1 ZINC000365800786 511658782 /nfs/dbraw/zinc/65/87/82/511658782.db2.gz YAZBYJIXYCWZIF-UHFFFAOYSA-N 0 0 353.466 2.949 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1[nH]nc2ccccc21 ZINC000299507041 511660976 /nfs/dbraw/zinc/66/09/76/511660976.db2.gz VRMBKQZMBYYRFO-UHFFFAOYSA-N 0 0 364.449 2.601 20 10 FFCDRN O=C(NCc1ccccc1O)N[C@@H](CN1CCCC1=O)c1ccccc1 ZINC000299527324 511661104 /nfs/dbraw/zinc/66/11/04/511661104.db2.gz RPJPQNPCBRGDPO-KRWDZBQOSA-N 0 0 353.422 2.555 20 10 FFCDRN CCCCNC(=O)c1ccc(CNC(=O)NCc2ccccc2O)cc1 ZINC000299523319 511661909 /nfs/dbraw/zinc/66/19/09/511661909.db2.gz QTZSDLLNVVNFNC-UHFFFAOYSA-N 0 0 355.438 2.922 20 10 FFCDRN COc1ccccc1C(=O)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000273985959 511681608 /nfs/dbraw/zinc/68/16/08/511681608.db2.gz LKAGBUSWKAOBEL-INIZCTEOSA-N 0 0 369.417 2.791 20 10 FFCDRN CC(=O)C(=O)COc1c(I)cccc1C(F)(F)F ZINC000292696075 511689271 /nfs/dbraw/zinc/68/92/71/511689271.db2.gz GJCYRBKCUCWHLF-UHFFFAOYSA-N 0 0 372.080 2.847 20 10 FFCDRN CCCNC(=O)c1ccc(N2CCCN(c3ccc(OC)cc3)CC2)nc1 ZINC000301254042 511693070 /nfs/dbraw/zinc/69/30/70/511693070.db2.gz SRAMSAXFHDKIDG-UHFFFAOYSA-N 0 0 368.481 2.947 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1cnn(C)c(=O)c1Br ZINC000301277893 511693594 /nfs/dbraw/zinc/69/35/94/511693594.db2.gz JEEMFGXWVXULES-UHFFFAOYSA-N 0 0 351.248 2.529 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCc2ccccc21 ZINC000284359295 511695246 /nfs/dbraw/zinc/69/52/46/511695246.db2.gz ONEAWHXREVVFLE-GOSISDBHSA-N 0 0 352.434 2.935 20 10 FFCDRN COc1ccc(N2CCN(c3cncc(OCC(C)C)n3)CC2)cc1F ZINC000301575526 511698019 /nfs/dbraw/zinc/69/80/19/511698019.db2.gz PYXCYCVFRGXQQG-UHFFFAOYSA-N 0 0 360.433 2.986 20 10 FFCDRN CN(CCOc1ccccc1F)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000301675955 511699817 /nfs/dbraw/zinc/69/98/17/511699817.db2.gz HNEWFURSFGRMNO-UHFFFAOYSA-N 0 0 361.329 2.580 20 10 FFCDRN CS(=O)(=O)c1cccnc1NCc1ccc(N2CCSCC2)cc1 ZINC000302416113 511708049 /nfs/dbraw/zinc/70/80/49/511708049.db2.gz HYIONDNHHKFRJM-UHFFFAOYSA-N 0 0 363.508 2.650 20 10 FFCDRN COC(=O)C=Cc1ccc(N2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000365886882 511710438 /nfs/dbraw/zinc/71/04/38/511710438.db2.gz WTAORGFSPPIMMQ-HWKANZROSA-N 0 0 356.382 2.888 20 10 FFCDRN COc1ccc(N2CCN(c3cc(N4CCCC4)ncn3)CC2)cc1F ZINC000302883884 511718361 /nfs/dbraw/zinc/71/83/61/511718361.db2.gz JVMGJITUECFNPA-UHFFFAOYSA-N 0 0 357.433 2.551 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@@H]1CCCN1CC(F)(F)F ZINC000292819371 511732585 /nfs/dbraw/zinc/73/25/85/511732585.db2.gz ZQWYEHDRHXLBNB-INIZCTEOSA-N 0 0 355.404 2.930 20 10 FFCDRN Cn1cc(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)c(C2CC2)n1 ZINC000292894833 511762875 /nfs/dbraw/zinc/76/28/75/511762875.db2.gz QRUSIVSBHVLFHO-RUDMXATFSA-N 0 0 352.438 2.786 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)Nc3cncnc3)cc2F)C[C@H](C)O1 ZINC000274345449 511803125 /nfs/dbraw/zinc/80/31/25/511803125.db2.gz LXEDFCJAGDJDOK-BETUJISGSA-N 0 0 359.405 2.551 20 10 FFCDRN C[C@@H]1C[C@@H](CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000281323754 511804319 /nfs/dbraw/zinc/80/43/19/511804319.db2.gz QBAFPBIYNUIORM-JJCWYKOUSA-N 0 0 358.482 2.856 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C2CC2)cc1 ZINC000366112748 511846782 /nfs/dbraw/zinc/84/67/82/511846782.db2.gz IKTCPSXXLYSULI-OAHLLOKOSA-N 0 0 353.470 2.707 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc3nnc(C(C)(C)C)n3c2)c1O ZINC000274514416 511861136 /nfs/dbraw/zinc/86/11/36/511861136.db2.gz HQVNPLXXFGCQML-UHFFFAOYSA-N 0 0 354.410 2.671 20 10 FFCDRN COC(=O)CCc1ccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000281522327 511876523 /nfs/dbraw/zinc/87/65/23/511876523.db2.gz VXQMADDNQUZJTJ-CYBMUJFWSA-N 0 0 372.421 2.956 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cc(F)c[nH]1 ZINC000293263765 511900266 /nfs/dbraw/zinc/90/02/66/511900266.db2.gz XOYGMPQCISXMJY-UHFFFAOYSA-N 0 0 371.334 2.939 20 10 FFCDRN Cc1cc2c(NCc3ccc(N4CCC(O)CC4)c(F)c3)nccn2n1 ZINC000274693901 511912245 /nfs/dbraw/zinc/91/22/45/511912245.db2.gz RMCLVTCZQMIYGE-UHFFFAOYSA-N 0 0 355.417 2.750 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)N[C@@H]2CCc3c2cccc3F)cc1 ZINC000284976798 511953832 /nfs/dbraw/zinc/95/38/32/511953832.db2.gz KXMIRBHKAAHLFQ-LJQANCHMSA-N 0 0 369.440 2.654 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C1(c2ccc(N(C)C)cc2)CC1 ZINC000293593588 512020984 /nfs/dbraw/zinc/02/09/84/512020984.db2.gz XISOKGOEOWRNGS-AWEZNQCLSA-N 0 0 354.450 2.943 20 10 FFCDRN CCOc1cccc(CN[C@@H](C(=O)OC)c2ccc3c(c2)CCO3)c1O ZINC000275101114 512041375 /nfs/dbraw/zinc/04/13/75/512041375.db2.gz CJAMVVCDMZYKEF-GOSISDBHSA-N 0 0 357.406 2.730 20 10 FFCDRN CC(=O)c1ccc(NC(=O)N(C)Cc2ccc(N3CCOCC3)cc2)nc1 ZINC000297247284 512075585 /nfs/dbraw/zinc/07/55/85/512075585.db2.gz RPEUEOFYPBCWSG-UHFFFAOYSA-N 0 0 368.437 2.785 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)N[C@@H]1CCc2nc(C)ncc2C1 ZINC000373932447 512578050 /nfs/dbraw/zinc/57/80/50/512578050.db2.gz HZBDGWDHMDAMRP-GOSISDBHSA-N 0 0 367.497 2.940 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H]2CCc3cnn(C(C)C)c3C2)c1O ZINC000376065869 512643345 /nfs/dbraw/zinc/64/33/45/512643345.db2.gz DFPQKCQOMUWZOU-OAHLLOKOSA-N 0 0 358.442 2.535 20 10 FFCDRN Cc1onc(-c2ccncc2)c1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000372479771 512896424 /nfs/dbraw/zinc/89/64/24/512896424.db2.gz CQBNXACNVVMGOP-LLVKDONJSA-N 0 0 353.378 2.817 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCOC2(CCOCC2)CC1 ZINC000368637013 513037061 /nfs/dbraw/zinc/03/70/61/513037061.db2.gz TZXVLGCVQODCQJ-UHFFFAOYSA-N 0 0 373.497 2.768 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](C)O[C@]3(CCCOC3)C2)c(C)n1-c1ccccn1 ZINC000370666937 513042802 /nfs/dbraw/zinc/04/28/02/513042802.db2.gz JQBZSAMIQYZQAL-IIBYNOLFSA-N 0 0 369.465 2.899 20 10 FFCDRN NC(=O)COc1cccc2c1CCCN2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449532730 514245366 /nfs/dbraw/zinc/24/53/66/514245366.db2.gz HIVYKNOPXLIQBW-DAXSKMNVSA-N 0 0 367.405 2.925 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H](C)Cn3cccn3)ccc21 ZINC000484720233 514764125 /nfs/dbraw/zinc/76/41/25/514764125.db2.gz LLPHNKDEKBUMHR-CQSZACIVSA-N 0 0 354.454 2.920 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C1CCN(c2cnccn2)CC1 ZINC000471227528 514806309 /nfs/dbraw/zinc/80/63/09/514806309.db2.gz RCDCOCHGLPHSSH-UHFFFAOYSA-N 0 0 363.465 2.810 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@H]1NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000498215772 514808010 /nfs/dbraw/zinc/80/80/10/514808010.db2.gz IBDONXHHNCEYAY-SJLPKXTDSA-N 0 0 371.481 2.549 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncccc1OCC(F)F ZINC000475956979 514867646 /nfs/dbraw/zinc/86/76/46/514867646.db2.gz QPSFTUJAQORGSR-UHFFFAOYSA-N 0 0 363.364 2.831 20 10 FFCDRN CCOC(=O)[C@@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000472220533 515175583 /nfs/dbraw/zinc/17/55/83/515175583.db2.gz HDMCCAKHSGGDON-OAHLLOKOSA-N 0 0 357.454 2.971 20 10 FFCDRN CCn1cccc(CNC(=O)NCc2c(C)c3ccccc3n2C)c1=O ZINC000472244931 515182262 /nfs/dbraw/zinc/18/22/62/515182262.db2.gz URYSDCMZLUCQBF-UHFFFAOYSA-N 0 0 352.438 2.668 20 10 FFCDRN CNS(=O)(=O)c1ccc2c(c1)CCN2C/C=C\c1ccccc1[N+](=O)[O-] ZINC000483328832 516034487 /nfs/dbraw/zinc/03/44/87/516034487.db2.gz WMPFWUIPHIZWFO-XQRVVYSFSA-N 0 0 373.434 2.579 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ccnc(C)n3)ccc21 ZINC000483442323 516091205 /nfs/dbraw/zinc/09/12/05/516091205.db2.gz UPKCHLKPMVXDHI-UHFFFAOYSA-N 0 0 352.438 2.933 20 10 FFCDRN CC[C@H](C)NC(=O)[C@@H](C)NC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000483556546 516131693 /nfs/dbraw/zinc/13/16/93/516131693.db2.gz OENOBPWLPVKFHZ-DZGCQCFKSA-N 0 0 373.497 2.938 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)c1O ZINC000528860715 516756122 /nfs/dbraw/zinc/75/61/22/516756122.db2.gz KZYDHJNGULWRIW-LLVKDONJSA-N 0 0 369.343 2.810 20 10 FFCDRN CCc1oc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1C(=O)OC ZINC000558772955 516937662 /nfs/dbraw/zinc/93/76/62/516937662.db2.gz QRJDXXGKCDHDIO-UHFFFAOYSA-N 0 0 358.394 2.734 20 10 FFCDRN O=C(Nc1ccc(C2=NNC(=O)CC2)cc1)c1ccc(C2=S=CC=C2)o1 ZINC000542166580 517417131 /nfs/dbraw/zinc/41/71/31/517417131.db2.gz LVJDCMYGSPDGIU-UHFFFAOYSA-N 0 0 365.414 2.772 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)c3ncc(OC)cn3)ccc21 ZINC000564161867 518330055 /nfs/dbraw/zinc/33/00/55/518330055.db2.gz WFSKFNKOSFKFCQ-UHFFFAOYSA-N 0 0 368.437 2.980 20 10 FFCDRN CCc1c(NC(=O)C2=S=c3ccsc3=C2)n[nH]c1-c1ccncc1 ZINC000590475443 519242746 /nfs/dbraw/zinc/24/27/46/519242746.db2.gz CGZFHGHMTJVZGH-UHFFFAOYSA-N 0 0 354.460 2.685 20 10 FFCDRN Cc1nn2c(nc(C)cc2C)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000569209043 519432336 /nfs/dbraw/zinc/43/23/36/519432336.db2.gz SHKTZGBRWAUREL-UHFFFAOYSA-N 0 0 365.437 2.760 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C1(c2ccccc2)CC(=O)C1 ZINC000575317874 519585069 /nfs/dbraw/zinc/58/50/69/519585069.db2.gz DYIMXUOLDZXZPZ-UHFFFAOYSA-N 0 0 350.418 2.779 20 10 FFCDRN Cc1c[nH]c(NC(=O)c2cc(C)n(-c3ccc(-c4nn[nH]n4)cc3)c2C)n1 ZINC000822394993 607324205 /nfs/dbraw/zinc/32/42/05/607324205.db2.gz NOENYJLKSFDOLI-UHFFFAOYSA-N 0 0 362.397 2.558 20 10 FFCDRN Fc1cccc(NNC(=S)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)c1 ZINC000737666551 598323287 /nfs/dbraw/zinc/32/32/87/598323287.db2.gz ZMNJUJAZJPHWPS-UHFFFAOYSA-N 0 0 363.809 2.973 20 10 FFCDRN Cc1cc(C(=O)NC[C@H]2C[C@H]2C)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737235019 598610724 /nfs/dbraw/zinc/61/07/24/598610724.db2.gz QCOAUBPAWWUDFS-IAQYHMDHSA-N 0 0 350.426 2.660 20 10 FFCDRN Cc1cc(C(=O)NCc2ccoc2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737236778 598612036 /nfs/dbraw/zinc/61/20/36/598612036.db2.gz ROUKPSSWHBTPLU-UHFFFAOYSA-N 0 0 362.393 2.797 20 10 FFCDRN O=C1C(=Cc2ccc(-c3nn[nH]n3)o2)SC(=S)N1C(C1CC1)C1CC1 ZINC000823504930 599312606 /nfs/dbraw/zinc/31/26/06/599312606.db2.gz VSRDFOOSBLBLSR-GHXNOFRVSA-N 0 0 373.463 2.850 20 10 FFCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(-c2nn[nH]n2)c1 ZINC000820427262 599395829 /nfs/dbraw/zinc/39/58/29/599395829.db2.gz RDEMTCUHJSEQPF-SECBINFHSA-N 0 0 374.788 2.985 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[NH+]2CCC(N3CCCC3=O)CC2)c1O ZINC000740096526 599779100 /nfs/dbraw/zinc/77/91/00/599779100.db2.gz JMDWEZCLRFPIFY-UHFFFAOYSA-N 0 0 368.433 2.830 20 10 FFCDRN CC[C@H]1C[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CCN1CCOC ZINC000736945928 600312894 /nfs/dbraw/zinc/31/28/94/600312894.db2.gz ZRJXVRMLXBDNIZ-INIZCTEOSA-N 0 0 372.465 2.786 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[NH+]([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000832925816 601096425 /nfs/dbraw/zinc/09/64/25/601096425.db2.gz XSMAIYVJIRWQMR-QGZVFWFLSA-N 0 0 369.465 2.715 20 10 FFCDRN O=C([O-])NC[C@H]([NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C1CC1 ZINC000740614386 603072227 /nfs/dbraw/zinc/07/22/27/603072227.db2.gz ROHUUISOHKSBBR-HNNXBMFYSA-N 0 0 362.430 2.721 20 10 FFCDRN C[C@H]([NH2+]CCCN(C)C(=O)[O-])c1ccc(N2CCOCC2)cc1Cl ZINC000825489964 604262647 /nfs/dbraw/zinc/26/26/47/604262647.db2.gz GHEKUKKDRLBZTM-ZDUSSCGKSA-N 0 0 355.866 2.827 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000827717475 604287067 /nfs/dbraw/zinc/28/70/67/604287067.db2.gz ILXGFUSGTDETOJ-KBPBESRZSA-N 0 0 367.877 2.970 20 10 FFCDRN CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000833389857 604504015 /nfs/dbraw/zinc/50/40/15/604504015.db2.gz HCYVEHZVNCCISY-AWEZNQCLSA-N 0 0 356.422 2.544 20 10 FFCDRN Cn1ccnc1[C@H]1CC[N@H+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)C1 ZINC000833759574 604546885 /nfs/dbraw/zinc/54/68/85/604546885.db2.gz DQHCCYMPUNOXNK-AWEZNQCLSA-N 0 0 351.406 2.967 20 10 FFCDRN Cc1cc(Br)cc(C[N@H+]2CC[C@@H](CN(C)C(=O)[O-])C2)c1O ZINC000833898806 605991132 /nfs/dbraw/zinc/99/11/32/605991132.db2.gz WFLGODKDUUDJOS-NSHDSACASA-N 0 0 357.248 2.895 20 10 FFCDRN Cc1cc(C(=O)NOC2CCCC2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826260216 608569607 /nfs/dbraw/zinc/56/96/07/608569607.db2.gz BIFNERYPXDPPDO-UHFFFAOYSA-N 0 0 366.425 2.878 20 10 FFCDRN O=C(CCNC(=O)NCCCSc1nccs1)N1CCCCCC1 ZINC000152963057 728769591 /nfs/dbraw/zinc/76/95/91/728769591.db2.gz HAUKRGSRDHLAMA-UHFFFAOYSA-N 0 0 370.544 2.717 20 10 FFCDRN CCN(CCS(C)(=O)=O)CC(=O)c1cc(C)n(-c2ccccc2)c1C ZINC000154363219 728802763 /nfs/dbraw/zinc/80/27/63/728802763.db2.gz VZCDFQWWULJSRO-UHFFFAOYSA-N 0 0 362.495 2.643 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](O)c3ccccc3Cl)CC2)cc1 ZINC000154420686 728804283 /nfs/dbraw/zinc/80/42/83/728804283.db2.gz IKALCSCNUSPTMG-GOSISDBHSA-N 0 0 360.841 2.731 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](C)C3CCOCC3)CC2)cc1F ZINC000155749282 728835412 /nfs/dbraw/zinc/83/54/12/728835412.db2.gz JRHNLPMEGZWAPR-CQSZACIVSA-N 0 0 350.434 2.546 20 10 FFCDRN O=C(CSc1ccc(C(F)(F)F)cn1)NCc1ccc(O)c(O)c1 ZINC000159080256 728900221 /nfs/dbraw/zinc/90/02/21/728900221.db2.gz CTHBAZQXTFHREK-UHFFFAOYSA-N 0 0 358.341 2.920 20 10 FFCDRN O=C(Cc1ccc(F)c(Br)c1)NCc1ccc(O)c(O)c1 ZINC000159113070 728901002 /nfs/dbraw/zinc/90/10/02/728901002.db2.gz MWHPHABENHWPSX-UHFFFAOYSA-N 0 0 354.175 2.858 20 10 FFCDRN COc1cccc(CNS(=O)(=O)c2ccc(Br)cc2)c1O ZINC000161103730 728929273 /nfs/dbraw/zinc/92/92/73/728929273.db2.gz AXWJIHIWOUTBGV-UHFFFAOYSA-N 0 0 372.240 2.642 20 10 FFCDRN COC(=O)c1cc2n(n1)CCC[C@H]2[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000897986025 735300729 /nfs/dbraw/zinc/30/07/29/735300729.db2.gz UUIYIRRSLNRKEN-GFCCVEGCSA-N 0 0 353.781 2.793 20 10 FFCDRN COc1ccc(N(C)CCOc2ccc(S(C)(=O)=O)cc2)cc1OC ZINC000743841493 735321558 /nfs/dbraw/zinc/32/15/58/735321558.db2.gz XTZLSUDKTPANOK-UHFFFAOYSA-N 0 0 365.451 2.623 20 10 FFCDRN CN(C)[S@@](C)(=O)=NCC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000898400119 735356018 /nfs/dbraw/zinc/35/60/18/735356018.db2.gz WRXHVNQVUZZXPE-QHCPKHFHSA-N 0 0 359.923 2.832 20 10 FFCDRN C[C@@H](CNC(=O)c1cc2cc(O)c(O)cc2s1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000898435787 735360720 /nfs/dbraw/zinc/36/07/20/735360720.db2.gz GGUUFUWUVYGSDZ-SDDRHHMPSA-N 0 0 364.467 2.540 20 10 FFCDRN CCOC(=O)[C@H](F)[C@H]1CCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898558631 735382855 /nfs/dbraw/zinc/38/28/55/735382855.db2.gz ZTOTZZYXQRDYSI-BJOHPYRUSA-N 0 0 367.398 2.676 20 10 FFCDRN C[S@](=O)[C@H]1CCC[C@H](NC(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898587965 735387592 /nfs/dbraw/zinc/38/75/92/735387592.db2.gz UHPBFAVYLVPWRQ-LYSPQLLHSA-N 0 0 353.465 2.732 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2cnc(F)c(C)c2)SC1=S ZINC000899260664 735467493 /nfs/dbraw/zinc/46/74/93/735467493.db2.gz NCURORIQFFWPPK-XFFZJAGNSA-N 0 0 354.428 2.684 20 10 FFCDRN COC(=O)c1ccc(/C=C2/SC(=S)N(CCCSC)C2=O)nc1 ZINC000899260506 735467638 /nfs/dbraw/zinc/46/76/38/735467638.db2.gz IYFQIVGXPADLNG-XYOKQWHBSA-N 0 0 368.505 2.823 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3cc(F)ccc3C)CC2)cc1 ZINC000042985610 727966331 /nfs/dbraw/zinc/96/63/31/727966331.db2.gz RTEUDZLSYZDXCW-UHFFFAOYSA-N 0 0 364.442 2.654 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1nc2c(s1)CCC2 ZINC000746493182 735488099 /nfs/dbraw/zinc/48/80/99/735488099.db2.gz SWYNBCGOLBRZJD-UHFFFAOYSA-N 0 0 358.467 2.535 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NC2(c3ccccc3)CCC2)c1 ZINC000051418435 728068821 /nfs/dbraw/zinc/06/88/21/728068821.db2.gz QENQBKAEVHMJOO-UHFFFAOYSA-N 0 0 360.435 2.573 20 10 FFCDRN Cc1cc(C)c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(C)c1 ZINC000055217761 728095656 /nfs/dbraw/zinc/09/56/56/728095656.db2.gz MCVXTKUDLVLBMZ-UHFFFAOYSA-N 0 0 362.451 2.619 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H](NC(=O)OC)C(C)C)cc1F ZINC000066841017 728178250 /nfs/dbraw/zinc/17/82/50/728178250.db2.gz OBLMJBHDQMGMQH-INIZCTEOSA-N 0 0 353.438 2.669 20 10 FFCDRN CCS(=O)(=O)CCN(C)C(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000089386945 728443204 /nfs/dbraw/zinc/44/32/04/728443204.db2.gz AXKDGTXQJPOUNY-UHFFFAOYSA-N 0 0 362.495 2.909 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2ccc(OCC(F)F)nc2)cc1F ZINC000090371848 728450226 /nfs/dbraw/zinc/45/02/26/728450226.db2.gz FZOBPZXEPWXZBI-UHFFFAOYSA-N 0 0 353.344 2.861 20 10 FFCDRN Cn1cnnc1C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000091795261 728462394 /nfs/dbraw/zinc/46/23/94/728462394.db2.gz JTHKNGZFGZLORA-UHFFFAOYSA-N 0 0 351.248 2.663 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccnc(Cl)c1 ZINC000098093828 728484414 /nfs/dbraw/zinc/48/44/14/728484414.db2.gz CKKXGJZLILACEY-UHFFFAOYSA-N 0 0 359.857 2.874 20 10 FFCDRN CN(c1ccc(CNC(=O)CCCS(C)(=O)=O)cc1)C1CCCCC1 ZINC000108788562 728522482 /nfs/dbraw/zinc/52/24/82/728522482.db2.gz JEJYYDPNVFGVOP-UHFFFAOYSA-N 0 0 366.527 2.897 20 10 FFCDRN CN(Cc1cccnc1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000109357667 728526362 /nfs/dbraw/zinc/52/63/62/728526362.db2.gz XSLIAIZRKVSVLY-UHFFFAOYSA-N 0 0 356.495 2.976 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)CCC(C)(C)C)CC2)cc1 ZINC000113281299 728553816 /nfs/dbraw/zinc/55/38/16/728553816.db2.gz VXUYCZSXJDJVNV-UHFFFAOYSA-N 0 0 354.516 2.973 20 10 FFCDRN CCC(CC)CS(=O)(=O)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000113281301 728553836 /nfs/dbraw/zinc/55/38/36/728553836.db2.gz XQWHOUVOSPHQEC-UHFFFAOYSA-N 0 0 354.516 2.973 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc(Br)cc2O)c1 ZINC000114541476 728561332 /nfs/dbraw/zinc/56/13/32/728561332.db2.gz VGLBKMCMLJGXFT-UHFFFAOYSA-N 0 0 352.184 2.799 20 10 FFCDRN O=C(Cc1ccc(Br)c(F)c1)NCCc1ccc(O)c(O)c1 ZINC000122106551 728643808 /nfs/dbraw/zinc/64/38/08/728643808.db2.gz GDJFFIFQDOYGQG-UHFFFAOYSA-N 0 0 368.202 2.901 20 10 FFCDRN CCc1ncc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)s1 ZINC000123124076 728655377 /nfs/dbraw/zinc/65/53/77/728655377.db2.gz VGGQERUMFRJULR-UHFFFAOYSA-N 0 0 363.458 2.736 20 10 FFCDRN Cc1ncc(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000125058831 728677997 /nfs/dbraw/zinc/67/79/97/728677997.db2.gz OETJQGNYLABDDW-ZDUSSCGKSA-N 0 0 360.483 2.849 20 10 FFCDRN CN1C(=O)C(=Cc2cc(Br)ccc2Cl)C(=O)N(C)C1=O ZINC000128669155 728709291 /nfs/dbraw/zinc/70/92/91/728709291.db2.gz HOXOJTOKKMDYGM-UHFFFAOYSA-N 0 0 357.591 2.536 20 10 FFCDRN COc1cccc(CNC(=O)c2cc(Br)c(C)[nH]c2=O)c1O ZINC000132319495 728724195 /nfs/dbraw/zinc/72/41/95/728724195.db2.gz CBGKASWJGMWMIG-UHFFFAOYSA-N 0 0 367.199 2.502 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000134613635 728731409 /nfs/dbraw/zinc/73/14/09/728731409.db2.gz KRFKGNHYTZCNCP-VIFPVBQESA-N 0 0 366.776 2.576 20 10 FFCDRN COc1cc(C)cc(CN2CCN(CC(F)(F)C(F)F)CC2)c1O ZINC000164392712 728965929 /nfs/dbraw/zinc/96/59/29/728965929.db2.gz CJCNWOYAWHUPEP-UHFFFAOYSA-N 0 0 350.356 2.727 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCc3nc(C)cs3)CC2)cc1 ZINC000171060970 728996447 /nfs/dbraw/zinc/99/64/47/728996447.db2.gz JMTBSEOASORQHL-UHFFFAOYSA-N 0 0 360.483 2.928 20 10 FFCDRN Cc1cc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1[N+](=O)[O-] ZINC000172015616 729017969 /nfs/dbraw/zinc/01/79/69/729017969.db2.gz LJLVBGZLTKNESD-UHFFFAOYSA-N 0 0 363.439 2.790 20 10 FFCDRN COCCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173988777 729059890 /nfs/dbraw/zinc/05/98/90/729059890.db2.gz PYCIRSUZMRWZEA-ZDUSSCGKSA-N 0 0 357.401 2.593 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000175504542 729097047 /nfs/dbraw/zinc/09/70/47/729097047.db2.gz XHSJRJXDLDUPFP-UHFFFAOYSA-N 0 0 359.813 2.847 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc([S@@](C)=O)c(F)c2)c1O ZINC000175879693 729103377 /nfs/dbraw/zinc/10/33/77/729103377.db2.gz ACGJHJSLBPWRBI-XMMPIXPASA-N 0 0 352.387 2.599 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000175978611 729105264 /nfs/dbraw/zinc/10/52/64/729105264.db2.gz IRKMBJZBMNCEQW-MRXNPFEDSA-N 0 0 359.392 2.742 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cc(F)c(F)cc2Cl)cc1 ZINC000176775728 729120081 /nfs/dbraw/zinc/12/00/81/729120081.db2.gz HNVXLIPBJVAPDU-UHFFFAOYSA-N 0 0 367.783 2.939 20 10 FFCDRN Cn1ccc2ccc(NC(=O)C(=O)NCCCSc3nccs3)cc21 ZINC000177762484 729145923 /nfs/dbraw/zinc/14/59/23/729145923.db2.gz VCTNXZVVCIVJQO-UHFFFAOYSA-N 0 0 374.491 2.872 20 10 FFCDRN CO[C@@H](C)c1nc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000183432203 729304003 /nfs/dbraw/zinc/30/40/03/729304003.db2.gz UITLXBIEEZRGGL-KOLCDFICSA-N 0 0 350.440 2.931 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cn(C)nc1-c1cccs1 ZINC000186407387 729364598 /nfs/dbraw/zinc/36/45/98/729364598.db2.gz XHRRSNFDVWWZHH-NSHDSACASA-N 0 0 357.435 2.921 20 10 FFCDRN COc1ccc(C)cc1S(=O)(=O)NCCCSc1nccs1 ZINC000195250909 729533636 /nfs/dbraw/zinc/53/36/36/729533636.db2.gz YALIODUWZIMMMA-UHFFFAOYSA-N 0 0 358.510 2.921 20 10 FFCDRN CS[C@@H](C)CCC(=O)OCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000779110084 738437237 /nfs/dbraw/zinc/43/72/37/738437237.db2.gz YRJJTZKMOHGKMD-AWEZNQCLSA-N 0 0 352.500 2.786 20 10 FFCDRN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1F ZINC000325469832 729758889 /nfs/dbraw/zinc/75/88/89/729758889.db2.gz FQEFLVDCDSOXCF-UHFFFAOYSA-N 0 0 354.315 2.572 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCC[C@H](N3CCOCC3)C2)c1O ZINC000382456385 729834487 /nfs/dbraw/zinc/83/44/87/729834487.db2.gz COTZMJQYBUOGLQ-INIZCTEOSA-N 0 0 352.862 2.545 20 10 FFCDRN Cc1ncsc1/C=C/C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856212769 730316047 /nfs/dbraw/zinc/31/60/47/730316047.db2.gz RNGHOAVPZHAERH-VOTSOKGWSA-N 0 0 357.479 2.742 20 10 FFCDRN C[C@@H](NC(=O)NCC[C@H]1CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000856826367 730360647 /nfs/dbraw/zinc/36/06/47/730360647.db2.gz JWZODDJUDFVSDV-HIFRSBDPSA-N 0 0 353.413 2.929 20 10 FFCDRN O=C(CNC(=O)c1c(F)cccc1Cl)NCc1cc(Cl)ccc1O ZINC000857548403 730399204 /nfs/dbraw/zinc/39/92/04/730399204.db2.gz LUASDXPRHDOOBE-UHFFFAOYSA-N 0 0 371.195 2.884 20 10 FFCDRN CCc1[nH]nc(Cl)c1C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000858201230 730419543 /nfs/dbraw/zinc/41/95/43/730419543.db2.gz KVHRJRFXAQXFPA-UHFFFAOYSA-N 0 0 362.861 2.734 20 10 FFCDRN CCOC(=O)N[C@H](CNC(=O)NCc1cc(C)ccc1O)CC(C)C ZINC000858276269 730421563 /nfs/dbraw/zinc/42/15/63/730421563.db2.gz MDNQEGROYXIEIX-HNNXBMFYSA-N 0 0 351.447 2.661 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCO[C@H](CCF)C1 ZINC000858543295 730428462 /nfs/dbraw/zinc/42/84/62/730428462.db2.gz HKHNBRGIRDCWBO-MAUKXSAKSA-N 0 0 351.466 2.762 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCO[C@@H](CCF)C1 ZINC000858543302 730428479 /nfs/dbraw/zinc/42/84/79/730428479.db2.gz HKHNBRGIRDCWBO-YJBOKZPZSA-N 0 0 351.466 2.762 20 10 FFCDRN O=C(NCC[C@@H]1CCCOC1)NCc1cccc(Br)c1O ZINC000858667683 730431139 /nfs/dbraw/zinc/43/11/39/730431139.db2.gz WHNOQCKOGZIPHC-NSHDSACASA-N 0 0 357.248 2.771 20 10 FFCDRN CCO[C@H](CS(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000858885424 730435828 /nfs/dbraw/zinc/43/58/28/730435828.db2.gz OHEDOCILIPQICH-GOSISDBHSA-N 0 0 354.516 2.719 20 10 FFCDRN CCO[C@@H](CS(=O)(=O)NCc1ccc(N(CC)CC)cc1)C1CC1 ZINC000858909232 730436354 /nfs/dbraw/zinc/43/63/54/730436354.db2.gz ODCYGTYUNZBTKA-SFHVURJKSA-N 0 0 354.516 2.767 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NC[C@H](O)C(F)(F)F ZINC000859887511 730468610 /nfs/dbraw/zinc/46/86/10/730468610.db2.gz FNQJWVPQJAFVTA-HNNXBMFYSA-N 0 0 354.328 2.560 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)Nc2ccnc(OCC(F)(F)F)n2)c1 ZINC000861170665 730583986 /nfs/dbraw/zinc/58/39/86/730583986.db2.gz BXSXRXAWSHUCEF-UHFFFAOYSA-N 0 0 356.304 2.753 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ocnc1C(F)F ZINC000862225774 730678346 /nfs/dbraw/zinc/67/83/46/730678346.db2.gz GLXIPXHHYWVIRR-UHFFFAOYSA-N 0 0 351.353 2.503 20 10 FFCDRN COCCN(CC(=O)OC(C)(C)C)Cc1c(O)cccc1Br ZINC000862237992 730679972 /nfs/dbraw/zinc/67/99/72/730679972.db2.gz ZRGRJNZUAVQKBH-UHFFFAOYSA-N 0 0 374.275 2.945 20 10 FFCDRN COc1cc(N(C)Cc2cn(C)nc2Br)cc(OC)c1OC ZINC000862306206 730686951 /nfs/dbraw/zinc/68/69/51/730686951.db2.gz GGMVGXOGTOSYNJ-UHFFFAOYSA-N 0 0 370.247 2.845 20 10 FFCDRN CCOC(=O)[C@@H](NCc1c(O)cccc1Br)[C@H]1CCCOC1 ZINC000862339611 730690143 /nfs/dbraw/zinc/69/01/43/730690143.db2.gz ZNABHPOJYLIYGC-NHYWBVRUSA-N 0 0 372.259 2.603 20 10 FFCDRN COC(=O)[C@H](CC(F)(F)F)NCc1c(O)cccc1Br ZINC000862339477 730690215 /nfs/dbraw/zinc/69/02/15/730690215.db2.gz VQZDTIZTHBHBIN-VIFPVBQESA-N 0 0 356.138 2.738 20 10 FFCDRN C[C@@H]1CN(Cc2c(O)cccc2Br)CC2(CCOCC2)O1 ZINC000862351861 730691108 /nfs/dbraw/zinc/69/11/08/730691108.db2.gz UCCLTTUMQIZEAZ-GFCCVEGCSA-N 0 0 356.260 2.925 20 10 FFCDRN Oc1cccc(Br)c1C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000862388296 730695963 /nfs/dbraw/zinc/69/59/63/730695963.db2.gz ZOIUSZQVLDORBS-PRHODGIISA-N 0 0 354.166 2.900 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCC([C@@H]3NC(=O)C3(C)C)CC2)cc1F ZINC000862401226 730697360 /nfs/dbraw/zinc/69/73/60/730697360.db2.gz BIMDKVYXDRTFKS-KRWDZBQOSA-N 0 0 351.441 2.767 20 10 FFCDRN C[C@@](CO)([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccc(O)c1 ZINC000862432630 730702286 /nfs/dbraw/zinc/70/22/86/730702286.db2.gz LKPYDCHINDKWEG-INIZCTEOSA-N 0 0 352.774 2.657 20 10 FFCDRN C[C@@H]1[C@H]([NH2+]Cc2ccc(OCc3ccccc3)cc2O)CCS1(=O)=O ZINC000862512291 730705866 /nfs/dbraw/zinc/70/58/66/730705866.db2.gz PHIMDUAGHRVJST-RDTXWAMCSA-N 0 0 361.463 2.636 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)c1 ZINC000862758453 730723675 /nfs/dbraw/zinc/72/36/75/730723675.db2.gz ZPTWMLPCHBBVDK-ZDUSSCGKSA-N 0 0 365.426 2.566 20 10 FFCDRN CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1ccc(O)cc1C ZINC000863405375 730777297 /nfs/dbraw/zinc/77/72/97/730777297.db2.gz UNVPXKBGXAMCCI-INIZCTEOSA-N 0 0 353.415 2.839 20 10 FFCDRN Cc1ccc(S(N)(=O)=O)c(NCCCSc2nccs2)c1F ZINC000865536645 730967521 /nfs/dbraw/zinc/96/75/21/730967521.db2.gz GPPQFAUERSXHMH-UHFFFAOYSA-N 0 0 361.489 2.832 20 10 FFCDRN Oc1ccc(Br)cc1CNc1c2c(nc3ncnn31)CCC2 ZINC000865803459 730999248 /nfs/dbraw/zinc/99/92/48/730999248.db2.gz CLTOGYWOHQJDPJ-UHFFFAOYSA-N 0 0 360.215 2.693 20 10 FFCDRN O=C1NCCN1Cc1ccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)cc1 ZINC000865815902 731000318 /nfs/dbraw/zinc/00/03/18/731000318.db2.gz QPYBMQUZLGBMGY-UHFFFAOYSA-N 0 0 363.820 3.000 20 10 FFCDRN CC(C)(C)c1nnc(C(=O)NCc2ccc(N3CCSCC3)cc2)o1 ZINC000865909280 731009894 /nfs/dbraw/zinc/00/98/94/731009894.db2.gz XKRLCEVCJCWAHL-UHFFFAOYSA-N 0 0 360.483 2.850 20 10 FFCDRN O=C(CSCc1ccc(F)cc1)OCC(=O)c1ccc(O)c(O)c1 ZINC000916608664 737715299 /nfs/dbraw/zinc/71/52/99/737715299.db2.gz BRWXOPSKSGIVLW-UHFFFAOYSA-N 0 0 350.367 2.896 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3ccc(C(F)F)o3)CC2)cc1 ZINC000866388565 731054115 /nfs/dbraw/zinc/05/41/15/731054115.db2.gz KSTMFTXYOHVSDE-UHFFFAOYSA-N 0 0 372.393 2.737 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)C3(C(C)C)CC3)CC2)cc1 ZINC000866710918 731090223 /nfs/dbraw/zinc/09/02/23/731090223.db2.gz XOUMDPMZFSUSOE-UHFFFAOYSA-N 0 0 352.500 2.772 20 10 FFCDRN O=Cc1ccc(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)s1 ZINC000868839019 731337265 /nfs/dbraw/zinc/33/72/65/731337265.db2.gz 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ZINC000778112027 738355150 /nfs/dbraw/zinc/35/51/50/738355150.db2.gz ABTJCJRUQCJMTL-UHFFFAOYSA-N 0 0 351.399 2.963 20 10 FFCDRN [NH3+]C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(F)(F)F ZINC000873227502 731893483 /nfs/dbraw/zinc/89/34/83/731893483.db2.gz KTLFRKIQJIEDBY-PSASIEDQSA-N 0 0 353.728 2.523 20 10 FFCDRN COc1ccc(NC(=O)C(=O)NCCCSc2nccs2)c(F)c1 ZINC000873753124 731960273 /nfs/dbraw/zinc/96/02/73/731960273.db2.gz UDJPKVBFYUPEEW-UHFFFAOYSA-N 0 0 369.443 2.528 20 10 FFCDRN C[C@H](NC(=O)N(C)OCC(F)(F)F)c1ccc(N2CCOCC2)cc1 ZINC000875157618 732131831 /nfs/dbraw/zinc/13/18/31/732131831.db2.gz KVRIUHMYVLAPGA-LBPRGKRZSA-N 0 0 361.364 2.720 20 10 FFCDRN CCN(CCCNC(=O)c1ccc(C)c(O)c1O)C(=O)OC(C)(C)C ZINC000780941119 738589554 /nfs/dbraw/zinc/58/95/54/738589554.db2.gz SZTAASGQOAPETD-UHFFFAOYSA-N 0 0 352.431 2.783 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(Br)nn2C)c1 ZINC000879645110 732741796 /nfs/dbraw/zinc/74/17/96/732741796.db2.gz KEWMZXHITWFLIY-QMMMGPOBSA-N 0 0 369.219 2.780 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2nn(C)cc2Br)c1 ZINC000879961476 732809309 /nfs/dbraw/zinc/80/93/09/732809309.db2.gz BFIHQFTUTMCIMK-QMMMGPOBSA-N 0 0 369.219 2.780 20 10 FFCDRN CSc1cccc(-n2c(C)cc(C(=O)Cn3cc(CO)nn3)c2C)c1 ZINC000881027862 733005113 /nfs/dbraw/zinc/00/51/13/733005113.db2.gz RFJLSZUJHVNCIW-UHFFFAOYSA-N 0 0 356.451 2.783 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)C(F)F ZINC000881282656 733035166 /nfs/dbraw/zinc/03/51/66/733035166.db2.gz PICYCQGGNWTHNQ-GRYCIOLGSA-N 0 0 359.392 2.892 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC3(CNC(=O)C3)CC2)c1 ZINC000781906984 738670243 /nfs/dbraw/zinc/67/02/43/738670243.db2.gz AZCMLJHCAAJQGX-UHFFFAOYSA-N 0 0 353.260 2.565 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)c1cc(C(=O)OC)ncn1 ZINC000882115128 733173956 /nfs/dbraw/zinc/17/39/56/733173956.db2.gz WAXVUFLSSLSKSA-UHFFFAOYSA-N 0 0 366.215 2.758 20 10 FFCDRN COC(=O)c1cc(OCc2nnc(C(F)(F)F)s2)ccc1N(C)C ZINC000882285849 733202612 /nfs/dbraw/zinc/20/26/12/733202612.db2.gz CSAPJMOSIAZNSP-UHFFFAOYSA-N 0 0 361.345 2.989 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]Cc1nnc2n1CCCCC2 ZINC000882880375 733306753 /nfs/dbraw/zinc/30/67/53/733306753.db2.gz OMPNWMAUWFJGKJ-UHFFFAOYSA-N 0 0 369.238 2.902 20 10 FFCDRN COCCOC[C@H](C)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883018499 733321656 /nfs/dbraw/zinc/32/16/56/733321656.db2.gz GCRDMKFOPBRBHF-VIFPVBQESA-N 0 0 352.656 2.949 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCOC1CCOCC1 ZINC000883017747 733321874 /nfs/dbraw/zinc/32/18/74/733321874.db2.gz ZKBVGYNRRXKRFW-UHFFFAOYSA-N 0 0 362.239 2.969 20 10 FFCDRN O=C1C[C@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CN1C1CC1 ZINC000883159036 733343999 /nfs/dbraw/zinc/34/39/99/733343999.db2.gz YNGIGGUXBSWERW-SECBINFHSA-N 0 0 373.678 2.909 20 10 FFCDRN [O-]c1c(F)cc(F)cc1C[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000883195380 733349446 /nfs/dbraw/zinc/34/94/46/733349446.db2.gz RNFUOHLCLIFGQF-UHFFFAOYSA-N 0 0 351.422 2.908 20 10 FFCDRN CO[C@@]1(C(F)(F)F)CCN(C(=O)NCCCSc2nccs2)C1 ZINC000883517437 733397137 /nfs/dbraw/zinc/39/71/37/733397137.db2.gz YBQPMVQAJRBIFY-LBPRGKRZSA-N 0 0 369.434 2.988 20 10 FFCDRN C[C@H](Oc1ccccc1Cl)C(=O)OCC(=O)c1ccc(O)c(O)c1 ZINC000782695648 738749027 /nfs/dbraw/zinc/74/90/27/738749027.db2.gz FYESQFGDFIOEQX-JTQLQIEISA-N 0 0 350.754 2.945 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)S2 ZINC000888289537 734032225 /nfs/dbraw/zinc/03/22/25/734032225.db2.gz DDYWDOAJLLGTMO-MQVJKMGUSA-N 0 0 364.486 2.953 20 10 FFCDRN Cc1cc(C2(C(=O)NCc3cccc(Cl)c3O)CCOCC2)on1 ZINC000890762942 734337254 /nfs/dbraw/zinc/33/72/54/734337254.db2.gz LCMUUCPHOVANGZ-UHFFFAOYSA-N 0 0 350.802 2.707 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)CCCc2nccs2)[NH+](C)C)cc1 ZINC000891249701 734404661 /nfs/dbraw/zinc/40/46/61/734404661.db2.gz SDYNIIFNZROCSC-QGZVFWFLSA-N 0 0 360.527 2.951 20 10 FFCDRN Cc1cc(C(=O)OCCN2CCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000726388726 734421973 /nfs/dbraw/zinc/42/19/73/734421973.db2.gz GFQQLNNVKCXZRY-UHFFFAOYSA-N 0 0 361.829 2.930 20 10 FFCDRN CCN(CCNC(=S)Nc1ccc(C(N)=O)cc1)c1cccc(C)c1 ZINC000726443986 734424616 /nfs/dbraw/zinc/42/46/16/734424616.db2.gz RKNBKMDQRYYBJU-UHFFFAOYSA-N 0 0 356.495 2.907 20 10 FFCDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(F)cccc2F)c(O)c1O ZINC000727005192 734459296 /nfs/dbraw/zinc/45/92/96/734459296.db2.gz JXMNVUKZABFRCU-VIFPVBQESA-N 0 0 351.305 2.868 20 10 FFCDRN CCc1nnc2ccc(NCc3ccc(N4CCSCC4)cc3)nn21 ZINC000728152615 734518076 /nfs/dbraw/zinc/51/80/76/734518076.db2.gz PDKHAIRNMGAGBI-UHFFFAOYSA-N 0 0 354.483 2.852 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 ZINC000729034419 734555814 /nfs/dbraw/zinc/55/58/14/734555814.db2.gz KZAOQASYLLACMD-LLVKDONJSA-N 0 0 364.423 2.687 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2ccc(S(C)(=O)=O)cc2)c1 ZINC000729034420 734555829 /nfs/dbraw/zinc/55/58/29/734555829.db2.gz KZAOQASYLLACMD-NSHDSACASA-N 0 0 364.423 2.687 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000729286394 734569391 /nfs/dbraw/zinc/56/93/91/734569391.db2.gz PBRMCKCNWZZGMH-HOTGVXAUSA-N 0 0 361.511 2.995 20 10 FFCDRN CC(=O)NCCCc1ccc(C(=O)COC(=O)C2=CC(=O)CS2)cc1 ZINC000732354100 734736891 /nfs/dbraw/zinc/73/68/91/734736891.db2.gz OTOPOGMUQMRIMY-UHFFFAOYSA-N 0 0 361.419 2.562 20 10 FFCDRN Cc1cc(C(=O)N(C)[C@H](C)CS(C)(=O)=O)c(C)n1-c1ccccc1C ZINC000732662651 734755584 /nfs/dbraw/zinc/75/55/84/734755584.db2.gz JTCXSBFPOLECJT-OAHLLOKOSA-N 0 0 362.495 2.908 20 10 FFCDRN COCCOC1CC[NH+](Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894021949 734787949 /nfs/dbraw/zinc/78/79/49/734787949.db2.gz QVTPYSFWRFPJDJ-UHFFFAOYSA-N 0 0 362.239 2.921 20 10 FFCDRN Cc1nn(C)cc1C(=O)N(Cc1ccc(N(C)C)cc1)CC(F)(F)F ZINC000733219128 734799335 /nfs/dbraw/zinc/79/93/35/734799335.db2.gz VCIUNVSZUWHGER-UHFFFAOYSA-N 0 0 354.376 2.999 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Cc2ccn(CC(F)(F)F)n2)c1 ZINC000894280767 734829940 /nfs/dbraw/zinc/82/99/40/734829940.db2.gz YJDPKGAHJBKDTR-SNVBAGLBSA-N 0 0 357.332 2.580 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000733880829 734855891 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NC(=O)C1CCN(c2ccc(CNCc3nc(Cl)cs3)cc2)CC1 ZINC000895814336 735059011 /nfs/dbraw/zinc/05/90/11/735059011.db2.gz PSCCLKZPAGLCAA-UHFFFAOYSA-N 0 0 364.902 2.788 20 10 FFCDRN CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Br)ccc1O ZINC000895864526 735066609 /nfs/dbraw/zinc/06/66/09/735066609.db2.gz PBVINXWJVLCVRY-KBPBESRZSA-N 0 0 372.259 2.745 20 10 FFCDRN CS(=O)(=O)c1ccccc1CC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000896814249 735184501 /nfs/dbraw/zinc/18/45/01/735184501.db2.gz JTSDFBREFBFJND-UHFFFAOYSA-N 0 0 357.834 2.921 20 10 FFCDRN COC(=O)c1cnc([C@H]2CC[N@H+](Cc3cc(F)cc(F)c3[O-])C2)s1 ZINC000896970384 735189965 /nfs/dbraw/zinc/18/99/65/735189965.db2.gz JPSXBQVLADIJQU-VIFPVBQESA-N 0 0 354.378 2.903 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000897173487 735200828 /nfs/dbraw/zinc/20/08/28/735200828.db2.gz UXIFODMSWSOFRW-CQSZACIVSA-N 0 0 370.287 2.908 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3sccc3C)CC2)cc1 ZINC000742265843 735216011 /nfs/dbraw/zinc/21/60/11/735216011.db2.gz 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/nfs/dbraw/zinc/68/32/85/1002683285.db2.gz JYCRCHLQMZMCLE-UHFFFAOYSA-N 0 0 364.405 2.576 20 10 FFCDRN C[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)Nc1ccc(F)cc1F ZINC000772774684 1002729326 /nfs/dbraw/zinc/72/93/26/1002729326.db2.gz JRDJMXNZJMYEHJ-NXSJDDFASA-N 0 0 363.316 2.960 20 10 FFCDRN C[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)c1nc(-c2cccnc2)no1 ZINC000772777709 1002751837 /nfs/dbraw/zinc/75/18/37/1002751837.db2.gz XTBKDTXTBZTLGT-OKPNEXGHSA-N 0 0 353.334 2.860 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccccn1 ZINC000774890528 1002968093 /nfs/dbraw/zinc/96/80/93/1002968093.db2.gz UUTHPEYKFQWDHH-OAHLLOKOSA-N 0 0 355.438 2.793 20 10 FFCDRN COc1ccc2[nH]cc(C=CC(=O)NCC(=O)c3ccc(O)c(O)c3)c2c1 ZINC001185755106 1003050946 /nfs/dbraw/zinc/05/09/46/1003050946.db2.gz BMOJLUWJUVCZFN-XVNBXDOJSA-N 0 0 366.373 2.600 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F ZINC000772799717 1003059269 /nfs/dbraw/zinc/05/92/69/1003059269.db2.gz IFFARPVBFZRBET-OAHLLOKOSA-N 0 0 369.391 2.897 20 10 FFCDRN COC(=O)c1ncc(NCC(=O)c2ccc(O)c(O)c2)cc1C(F)(F)F ZINC001170314917 1003104821 /nfs/dbraw/zinc/10/48/21/1003104821.db2.gz KRSKNXGQTSAKKX-UHFFFAOYSA-N 0 0 370.283 2.593 20 10 FFCDRN O=C(CNc1ccn(Cc2cccc(F)c2)c(=O)c1)c1ccc(O)c(O)c1 ZINC001170321008 1003109792 /nfs/dbraw/zinc/10/97/92/1003109792.db2.gz UUVOXXNVEWRRKG-UHFFFAOYSA-N 0 0 368.364 2.742 20 10 FFCDRN COc1cc(Br)nc(NCC(=O)c2ccc(O)c(O)c2)c1 ZINC001170322207 1003109901 /nfs/dbraw/zinc/10/99/01/1003109901.db2.gz HFFBXLVPGKOPRJ-UHFFFAOYSA-N 0 0 353.172 2.559 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccc2n[nH]cc2c1 ZINC001185972054 1003151337 /nfs/dbraw/zinc/15/13/37/1003151337.db2.gz FAYHVLBEKLWZEP-UHFFFAOYSA-N 0 0 370.478 2.984 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)NC[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000792869037 1003205246 /nfs/dbraw/zinc/20/52/46/1003205246.db2.gz ZDZMIIXKRGRPNX-ZWKOTPCHSA-N 0 0 374.529 2.553 20 10 FFCDRN COc1ccc(CNC(=O)NCc2cccc(Cn3cccn3)c2)c(O)c1 ZINC000792843114 1003209689 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Cc1ccc(C)n1-c1ccc(O)c(C(=O)NCCC(=O)NC(C)(C)C)c1 ZINC001186849648 1003435139 /nfs/dbraw/zinc/43/51/39/1003435139.db2.gz OAZARGJJDKMQNY-UHFFFAOYSA-N 0 0 357.454 2.834 20 10 FFCDRN CCC1CCC(CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CC1 ZINC000793792052 1003495377 /nfs/dbraw/zinc/49/53/77/1003495377.db2.gz OBWVWRQIKYNSKK-UHFFFAOYSA-N 0 0 363.477 2.841 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)NC[C@H]2CC=CCC2)C2CC2)cc1 ZINC000793819265 1003506395 /nfs/dbraw/zinc/50/63/95/1003506395.db2.gz MUHYQWYJKSWVSI-INIZCTEOSA-N 0 0 355.482 2.716 20 10 FFCDRN COc1c(O)c(CNc2cccc3c2CCN3C(C)=O)ccc1[N+](=O)[O-] ZINC000775071252 1003521024 /nfs/dbraw/zinc/52/10/24/1003521024.db2.gz NWUQMRKNBPZSEH-UHFFFAOYSA-N 0 0 357.366 2.830 20 10 FFCDRN CCn1nc(C)c(CC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000794246054 1003591056 /nfs/dbraw/zinc/59/10/56/1003591056.db2.gz BSJNPNTWNXFEMF-OAHLLOKOSA-N 0 0 370.497 2.776 20 10 FFCDRN O=C(NCc1ccc(N2CCCCC2)cc1)c1cc(Cn2cccn2)on1 ZINC000794255711 1003591988 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FFCDRN COc1cc(O)c(CN2CCn3c(nnc3C3CCCC3)C2)cc1OC ZINC001117135541 1021582221 /nfs/dbraw/zinc/58/22/21/1021582221.db2.gz OPXQXRQBPPLCGO-UHFFFAOYSA-N 0 0 358.442 2.674 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC001117321915 1021652034 /nfs/dbraw/zinc/65/20/34/1021652034.db2.gz AGDQOGCCTWSLOO-LJQANCHMSA-N 0 0 369.440 2.620 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)CNC(=O)c2cccc(O)c2)cc1 ZINC000778327954 1021688807 /nfs/dbraw/zinc/68/88/07/1021688807.db2.gz ITYCTXYQGLHITO-UHFFFAOYSA-N 0 0 369.465 2.627 20 10 FFCDRN CCS(=O)(=O)c1cccc(C(=O)Nc2c3nonc3ccc2Cl)c1 ZINC001117546998 1021751341 /nfs/dbraw/zinc/75/13/41/1021751341.db2.gz FDMGKRYXWYKZOA-UHFFFAOYSA-N 0 0 365.798 2.922 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3nn(C)c4c3CCCC4)CC2)cc1 ZINC001117754181 1021859857 /nfs/dbraw/zinc/85/98/57/1021859857.db2.gz DYHDJKQZCBNPMO-UHFFFAOYSA-N 0 0 368.481 2.660 20 10 FFCDRN COc1ccc(CNC(=O)C[C@H](NC(=O)OC(C)(C)C)C(F)F)c(O)c1 ZINC000935770656 1021862435 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FFCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001118503448 1022266623 /nfs/dbraw/zinc/26/66/23/1022266623.db2.gz VFAMGSGJDMOZFA-ILWJIGKKSA-N 0 0 361.186 2.998 20 10 FFCDRN C[C@@H](O)[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)c1ccccc1 ZINC001118531330 1022276194 /nfs/dbraw/zinc/27/61/94/1022276194.db2.gz CZSURQXCOLKGTC-FOIQADDNSA-N 0 0 353.466 2.990 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1 ZINC000750643662 1022283070 /nfs/dbraw/zinc/28/30/70/1022283070.db2.gz LCFLQONTLKHHCW-QGZVFWFLSA-N 0 0 360.502 2.684 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 ZINC000115281170 1022321018 /nfs/dbraw/zinc/32/10/18/1022321018.db2.gz KQEBJAWJJJLGNF-MRXNPFEDSA-N 0 0 369.440 2.869 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H](C)C(=O)NCc1ccccc1 ZINC000115808301 1022362407 /nfs/dbraw/zinc/36/24/07/1022362407.db2.gz HSMITGAKMDBIQZ-MRXNPFEDSA-N 0 0 368.481 2.565 20 10 FFCDRN Cc1nc[nH]c(=O)c1CCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001118771762 1022392465 /nfs/dbraw/zinc/39/24/65/1022392465.db2.gz POUUBXMEPYGOMO-UHFFFAOYSA-N 0 0 354.454 2.730 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1cc(C)ccc1O)c1ccc(F)cc1 ZINC001118821049 1022423542 /nfs/dbraw/zinc/42/35/42/1022423542.db2.gz BTFNMZDBAWWZST-KRWDZBQOSA-N 0 0 353.415 2.647 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3CCn4cc(C)nc4C3)CC2)cc1 ZINC001118850928 1022439149 /nfs/dbraw/zinc/43/91/49/1022439149.db2.gz LSGMWEGZFZSBDI-QGZVFWFLSA-N 0 0 368.481 2.501 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCC1(C)OCCO1 ZINC001118857452 1022444144 /nfs/dbraw/zinc/44/41/44/1022444144.db2.gz QQFSIPPBALYNQX-UHFFFAOYSA-N 0 0 356.422 2.790 20 10 FFCDRN Cc1nnc2n1C[C@@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)CC2 ZINC000750794063 1022542678 /nfs/dbraw/zinc/54/26/78/1022542678.db2.gz HHUCDHLDWSFAQD-INIZCTEOSA-N 0 0 366.421 2.677 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2cnn(Cc3ccccc3)c2)cc1 ZINC000048141257 1022654879 /nfs/dbraw/zinc/65/48/79/1022654879.db2.gz HVLJXNBHJZVCLE-UHFFFAOYSA-N 0 0 363.465 2.997 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000038588857 1022656749 /nfs/dbraw/zinc/65/67/49/1022656749.db2.gz JNIMWXGASZQXKX-UHFFFAOYSA-N 0 0 368.481 2.947 20 10 FFCDRN Cc1c(O)cc2c(c1O[C@H]1CNCC(F)(F)C1)C(=O)c1ccccc1C2=O ZINC001218276395 1033080059 /nfs/dbraw/zinc/08/00/59/1033080059.db2.gz SAQWBAHUALDSPM-LLVKDONJSA-N 0 0 373.355 2.852 20 10 FFCDRN COC(=O)CSCCC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751299395 1022788286 /nfs/dbraw/zinc/78/82/86/1022788286.db2.gz LMWBWOCUYYDWLF-UHFFFAOYSA-N 0 0 370.434 2.631 20 10 FFCDRN O=c1cc(-c2ccc(O)c(O)c2)oc2cc([O-])cc(O[C@@H]3CCC[NH2+]C3)c12 ZINC001218281200 1033083368 /nfs/dbraw/zinc/08/33/68/1033083368.db2.gz ABGAMBRVPOQBIC-CYBMUJFWSA-N 0 0 369.373 2.708 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3sc(C)nc3C)C2)cc1 ZINC001119476662 1022796555 /nfs/dbraw/zinc/79/65/55/1022796555.db2.gz DGYQQLYEYLXPDB-OAHLLOKOSA-N 0 0 359.495 2.954 20 10 FFCDRN COCCN(Cc1cn(-c2ccccc2)nn1)c1ccc(OC)c(OC)c1 ZINC000751483059 1022845057 /nfs/dbraw/zinc/84/50/57/1022845057.db2.gz OKGKBWZZULTYSU-UHFFFAOYSA-N 0 0 368.437 2.938 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)NCc2cnc(N(C)C)n2C)cc1 ZINC000751807634 1022947673 /nfs/dbraw/zinc/94/76/73/1022947673.db2.gz VBEIVYOPYCHKBR-UHFFFAOYSA-N 0 0 372.517 2.674 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC001119873939 1023141762 /nfs/dbraw/zinc/14/17/62/1023141762.db2.gz FNZXMBOPVWYEGK-YZGWKJHDSA-N 0 0 369.509 2.940 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)/C=C\c1cccc(F)c1 ZINC001119962957 1023183071 /nfs/dbraw/zinc/18/30/71/1023183071.db2.gz RFMFJJDCIUAJSO-GQSKFBFOSA-N 0 0 373.380 2.541 20 10 FFCDRN CCC1(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCC1 ZINC000752888891 1023219611 /nfs/dbraw/zinc/21/96/11/1023219611.db2.gz UJJPHEJGNNBSTE-INIZCTEOSA-N 0 0 358.486 2.520 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)NCCC3=CCCC3)CC2)cc1 ZINC000753045618 1023258553 /nfs/dbraw/zinc/25/85/53/1023258553.db2.gz KFKFOTZRVQJJAD-UHFFFAOYSA-N 0 0 372.513 2.617 20 10 FFCDRN CC(C)(C)OC(=O)NC1(CNC(=O)/C=C/c2ccc(O)c(O)c2)CCC1 ZINC000753099259 1023268559 /nfs/dbraw/zinc/26/85/59/1023268559.db2.gz XTURXGQCETVFTP-SOFGYWHQSA-N 0 0 362.426 2.675 20 10 FFCDRN COc1ccc2c(c1)CC[C@@H](NC(=O)NCc1cccc(OC)c1O)C2 ZINC000753289801 1023300022 /nfs/dbraw/zinc/30/00/22/1023300022.db2.gz YFFBHJBEPGVOBX-MRXNPFEDSA-N 0 0 356.422 2.766 20 10 FFCDRN CN(CC(=O)NC[C@H]1CCCO1)c1ccc(OCc2ccccc2)cc1 ZINC000189643698 1023313651 /nfs/dbraw/zinc/31/36/51/1023313651.db2.gz OIPMXQHSWRLLLV-HXUWFJFHSA-N 0 0 354.450 2.997 20 10 FFCDRN Cc1ccc(N2CCC[C@@H](NC(=O)NCc3ccc(N)cc3)C2=O)cc1 ZINC001120520387 1023348466 /nfs/dbraw/zinc/34/84/66/1023348466.db2.gz VKUDYVFQZXTCPI-GOSISDBHSA-N 0 0 352.438 2.572 20 10 FFCDRN COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000753639753 1023362528 /nfs/dbraw/zinc/36/25/28/1023362528.db2.gz BIKHJVCXZWJNPN-GFCCVEGCSA-N 0 0 357.406 2.599 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](C)c3c(C)nn(C)c3C)CC2)cc1F ZINC000753739601 1023374030 /nfs/dbraw/zinc/37/40/30/1023374030.db2.gz ICVSDRPUQMREGK-CYBMUJFWSA-N 0 0 374.460 2.637 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@@H](C)n3nc(C)cc3C)CC2)cc1F ZINC000753739998 1023374089 /nfs/dbraw/zinc/37/40/89/1023374089.db2.gz XJOIWBBXEWPPRV-MRXNPFEDSA-N 0 0 374.460 2.948 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)NCC3CCCCC3)CC2)cc1F ZINC000753861813 1023390871 /nfs/dbraw/zinc/39/08/71/1023390871.db2.gz VOURINKRXRJHPW-UHFFFAOYSA-N 0 0 363.477 2.653 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H](C)Cc3ccncc3)CC2)cc1F ZINC000753912716 1023397635 /nfs/dbraw/zinc/39/76/35/1023397635.db2.gz YEUGVMNKACGWMD-HNNXBMFYSA-N 0 0 372.444 2.692 20 10 FFCDRN Cc1cc(C(=O)NC(C)(C)[C@@H](O)C(F)(F)F)c(C)n1-c1ccccn1 ZINC001120766157 1023457501 /nfs/dbraw/zinc/45/75/01/1023457501.db2.gz PDOQLCWGYYGSCQ-OAHLLOKOSA-N 0 0 355.360 2.921 20 10 FFCDRN O=C(/C=C\c1cnccn1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754550253 1023486054 /nfs/dbraw/zinc/48/60/54/1023486054.db2.gz OVEGZFNJZUUSQJ-VURMDHGXSA-N 0 0 355.353 2.904 20 10 FFCDRN CC(C)Cn1c(C2SC=CC2=O)nnc1N1CCN(CC(F)F)CC1 ZINC001122833641 1023502805 /nfs/dbraw/zinc/50/28/05/1023502805.db2.gz WWZBOBNDEJQIPO-UHFFFAOYSA-N 0 0 371.457 2.755 20 10 FFCDRN CC[C@]1(C)CN(C(=O)NC2CCN(c3ccc(OC)cc3)CC2)CCO1 ZINC000190480266 1023644338 /nfs/dbraw/zinc/64/43/38/1023644338.db2.gz OXWHUAOOADQFQJ-HXUWFJFHSA-N 0 0 361.486 2.875 20 10 FFCDRN Cn1ccc2cccc(NC(=O)C(=O)NCc3ccc(N4CC=CC4)cc3)c21 ZINC000190532884 1023650418 /nfs/dbraw/zinc/65/04/18/1023650418.db2.gz ICMRDBYCMBMXFR-UHFFFAOYSA-N 0 0 374.444 2.809 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN(CCO)[C@H](C)C1 ZINC000779316436 1023672709 /nfs/dbraw/zinc/67/27/09/1023672709.db2.gz IAWDPZXQLZDXCW-GOSISDBHSA-N 0 0 355.482 2.541 20 10 FFCDRN CN(C[C@@H]1COc2ccccc2O1)c1nnc(C2SC=CC2=O)n1C ZINC001121274979 1023683467 /nfs/dbraw/zinc/68/34/67/1023683467.db2.gz XOCUSHJINVBDGZ-LLVKDONJSA-N 0 0 358.423 2.525 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000756245129 1023687924 /nfs/dbraw/zinc/68/79/24/1023687924.db2.gz 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FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CN(C)C(=O)OC(C)(C)C ZINC000839917141 1026865399 /nfs/dbraw/zinc/86/53/99/1026865399.db2.gz AGBLKKHMEAKNSF-OAHLLOKOSA-N 0 0 363.502 2.975 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1ccnc(N2CCCC2)n1 ZINC000839918452 1026865730 /nfs/dbraw/zinc/86/57/30/1026865730.db2.gz MDFMUKDREJFOGA-INIZCTEOSA-N 0 0 367.497 2.812 20 10 FFCDRN Cn1ccnc1COc1ccc(NC(=O)Cc2ccc(O)c(O)c2)cc1 ZINC001141815604 1027009134 /nfs/dbraw/zinc/00/91/34/1027009134.db2.gz QGDMLPUWCIBIFB-UHFFFAOYSA-N 0 0 353.378 2.592 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCC(c2ccncn2)CC1 ZINC000840302373 1027039060 /nfs/dbraw/zinc/03/90/60/1027039060.db2.gz PTVNLQWUMMVMAW-UHFFFAOYSA-N 0 0 353.470 2.940 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCOc1ncccc1F ZINC000840331530 1027050656 /nfs/dbraw/zinc/05/06/56/1027050656.db2.gz XZTLHRJCFQXZOB-HNNXBMFYSA-N 0 0 374.460 2.904 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCC[C@@](C)(C(=O)OC)C2)c([N+](=O)[O-])c1 ZINC000840388222 1027066834 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Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(Cc2ccon2)CC1 ZINC000956955969 1027511984 /nfs/dbraw/zinc/51/19/84/1027511984.db2.gz CVHQLRUYJQYFBL-UHFFFAOYSA-N 0 0 367.453 2.502 20 10 FFCDRN CCOC(=O)c1cncnc1NCc1cc(Br)ccc1O ZINC001160013974 1027562228 /nfs/dbraw/zinc/56/22/28/1027562228.db2.gz ZDBQLRRCXOOYDY-UHFFFAOYSA-N 0 0 352.188 2.734 20 10 FFCDRN O=[N+]([O-])c1cnc(NCc2cc(Br)ccc2O)c([N+](=O)[O-])c1 ZINC001160012342 1027563150 /nfs/dbraw/zinc/56/31/50/1027563150.db2.gz MPFWHFOVJBWYBV-UHFFFAOYSA-N 0 0 369.131 2.978 20 10 FFCDRN Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1c(F)ccc(O)c1O ZINC001160692374 1027807078 /nfs/dbraw/zinc/80/70/78/1027807078.db2.gz DJGXUKZFQMJAAS-UHFFFAOYSA-N 0 0 366.776 2.957 20 10 FFCDRN Cc1cccc(CNc2ccc(CN3C(=O)NC(C)(C)C3=O)cn2)c1O ZINC001160769866 1027874444 /nfs/dbraw/zinc/87/44/44/1027874444.db2.gz LXCVSRNGZMBJRW-UHFFFAOYSA-N 0 0 354.410 2.538 20 10 FFCDRN COCCOc1cc(C(=O)NCc2cc(O)ccc2O)nc2ccccc21 ZINC001153885862 1028046599 /nfs/dbraw/zinc/04/65/99/1028046599.db2.gz QFLNOPRQZJPCOR-UHFFFAOYSA-N 0 0 368.389 2.601 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC001154053758 1028127968 /nfs/dbraw/zinc/12/79/68/1028127968.db2.gz NGNOCPKRXGVPDP-UHFFFAOYSA-N 0 0 367.380 2.550 20 10 FFCDRN CN(CCC(=O)NCc1ccc2c(c1)CCCN2C)C(=O)OC(C)(C)C ZINC000795832674 1028181072 /nfs/dbraw/zinc/18/10/72/1028181072.db2.gz IXXGXGZUEPNFRW-UHFFFAOYSA-N 0 0 361.486 2.942 20 10 FFCDRN Cc1cc(C(=O)CN2CCN(CCO)[C@@H](C)C2)c(C)n1-c1ccccc1C ZINC000249553595 1028186238 /nfs/dbraw/zinc/18/62/38/1028186238.db2.gz IYCKFUUYEZLHAY-SFHVURJKSA-N 0 0 369.509 2.584 20 10 FFCDRN Nc1cc(Br)c(F)cc1C(=O)NCc1ccc(O)cc1O ZINC001162284944 1028491352 /nfs/dbraw/zinc/49/13/52/1028491352.db2.gz ILNISWLEYYNOLE-UHFFFAOYSA-N 0 0 355.163 2.512 20 10 FFCDRN CCN(CC(OC)OC)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001154994641 1028540044 /nfs/dbraw/zinc/54/00/44/1028540044.db2.gz GTPFMDAVCUZBLY-UHFFFAOYSA-N 0 0 372.465 2.917 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(Cl)ccc1N ZINC001162539618 1028573610 /nfs/dbraw/zinc/57/36/10/1028573610.db2.gz IXBHLKGSATWXOY-UHFFFAOYSA-N 0 0 362.813 2.833 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccc2cccnc2n1 ZINC001162539314 1028573790 /nfs/dbraw/zinc/57/37/90/1028573790.db2.gz AKZMOXQWXPKWDW-UHFFFAOYSA-N 0 0 365.389 2.541 20 10 FFCDRN O=C(C[C@@H]1C(=O)Nc2c1cccc2F)NCc1ccc2cccnc2c1O ZINC001162613076 1028597421 /nfs/dbraw/zinc/59/74/21/1028597421.db2.gz WFFQYSUAOHYXKT-AWEZNQCLSA-N 0 0 365.364 2.822 20 10 FFCDRN CN(Cc1cnc(Cl)s1)C(=O)c1cc2cc(O)c(O)cc2oc1=O ZINC001155223700 1028631843 /nfs/dbraw/zinc/63/18/43/1028631843.db2.gz IFWKAMOLMSEPIQ-UHFFFAOYSA-N 0 0 366.782 2.586 20 10 FFCDRN Cc1cc(C(=O)N(C)CC(C)(CO)CO)c(C)n1-c1cc(C)cc(C)c1 ZINC000780993845 1028921332 /nfs/dbraw/zinc/92/13/32/1028921332.db2.gz VYGRQOLBNWUVKY-UHFFFAOYSA-N 0 0 358.482 2.774 20 10 FFCDRN O=C(c1cnc2cc(C3CC3)nn2c1)N1CCCc2cc(O)c(O)cc2C1 ZINC001155861298 1028945890 /nfs/dbraw/zinc/94/58/90/1028945890.db2.gz DEQJXQIFANYGRO-UHFFFAOYSA-N 0 0 364.405 2.607 20 10 FFCDRN COc1cc(C)ccc1C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1 ZINC000781047014 1028955928 /nfs/dbraw/zinc/95/59/28/1028955928.db2.gz MOGVFYLQYHIOIR-UHFFFAOYSA-N 0 0 367.449 2.924 20 10 FFCDRN CCOC(=O)c1cnc(CC)nc1N1CCCc2cc(O)c(O)cc2C1 ZINC001155947802 1028987390 /nfs/dbraw/zinc/98/73/90/1028987390.db2.gz DZCIJFWKGMBXCJ-UHFFFAOYSA-N 0 0 357.410 2.580 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@]3(C)CCCOC3)cc2F)C[C@@H](C)O1 ZINC000781136174 1029007543 /nfs/dbraw/zinc/00/75/43/1029007543.db2.gz ILLPZNFHPMKISQ-STXHMFSFSA-N 0 0 364.461 2.872 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2Cc3nc(C4CC4)[nH]c(=O)c3C2)cc1OC ZINC001164046692 1029157691 /nfs/dbraw/zinc/15/76/91/1029157691.db2.gz PPZJFEYZCQAHMB-UHFFFAOYSA-N 0 0 358.354 2.505 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](C)Cc2ccc(OC)c(OC)c2)c1O ZINC000781349417 1029159174 /nfs/dbraw/zinc/15/91/74/1029159174.db2.gz CKWISSBGSJYUGY-CYBMUJFWSA-N 0 0 359.422 2.913 20 10 FFCDRN COc1ccc2c(C(=O)N3CCCc4cc(O)c(O)cc4C3)c[nH]c2n1 ZINC001157097359 1029463496 /nfs/dbraw/zinc/46/34/96/1029463496.db2.gz KTNARZZPYXGEFD-UHFFFAOYSA-N 0 0 353.378 2.571 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(O)=C(C(=O)OC(C)(C)C)C1CC1 ZINC001157102901 1029467342 /nfs/dbraw/zinc/46/73/42/1029467342.db2.gz RJFCVHYNJYAQTR-HNNXBMFYSA-N 0 0 354.443 2.862 20 10 FFCDRN CCOC(=O)c1cc(NCCc2cc(O)c(O)cc2O)ncc1Cl ZINC001157240360 1029517068 /nfs/dbraw/zinc/51/70/68/1029517068.db2.gz WUXHFXHTYYUCAO-UHFFFAOYSA-N 0 0 352.774 2.683 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCOCC3)cc2F)C[C@H](C)O1 ZINC000782678196 1029783629 /nfs/dbraw/zinc/78/36/29/1029783629.db2.gz ZNSPQZNXKYWEER-UXLLHSPISA-N 0 0 364.461 2.872 20 10 FFCDRN COCCn1cc(NC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cn1 ZINC000840930835 1029929677 /nfs/dbraw/zinc/92/96/77/1029929677.db2.gz PFDCSROKSLFCJY-OAHLLOKOSA-N 0 0 359.474 2.657 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2C[C@H](O)CC[C@H]2C)CCCC1 ZINC001165292413 1029933379 /nfs/dbraw/zinc/93/33/79/1029933379.db2.gz UGPJFXOSYMNRSL-HUUCEWRRSA-N 0 0 356.466 2.901 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNc1ccc2c(c1)CN(CC(N)=O)CC2 ZINC000840940794 1029933696 /nfs/dbraw/zinc/93/36/96/1029933696.db2.gz LYMMZKDQFGKKKS-UHFFFAOYSA-N 0 0 352.482 2.517 20 10 FFCDRN Cc1cc(N(C)C)ccc1CN1CCCc2c(OCC(N)=O)cccc21 ZINC000840951204 1029941745 /nfs/dbraw/zinc/94/17/45/1029941745.db2.gz URYLUUJLBVVUJX-UHFFFAOYSA-N 0 0 353.466 2.878 20 10 FFCDRN COc1cccc(CC2CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)c1 ZINC000841085961 1030026020 /nfs/dbraw/zinc/02/60/20/1030026020.db2.gz JULNGGYRPIWADL-UHFFFAOYSA-N 0 0 367.449 2.697 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(N)c(OC)c1 ZINC000841126420 1030059149 /nfs/dbraw/zinc/05/91/49/1030059149.db2.gz ZCDFZVPYRIVVCV-UHFFFAOYSA-N 0 0 371.437 2.750 20 10 FFCDRN CN(C(=O)C(=O)Nc1ccc(N)cc1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000841129995 1030061396 /nfs/dbraw/zinc/06/13/96/1030061396.db2.gz JISXHPZZMPRKJG-QZTJIDSGSA-N 0 0 367.449 2.912 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CCC(Cc3c(F)cccc3F)CC2)cc1 ZINC000841138996 1030067314 /nfs/dbraw/zinc/06/73/14/1030067314.db2.gz KRTAYEMORTVWMP-UHFFFAOYSA-N 0 0 373.403 2.967 20 10 FFCDRN CCOc1cc2c(cc1NC(=O)C(=O)Nc1ccc(N)cc1)O[C@H](C)C2 ZINC000841149870 1030075085 /nfs/dbraw/zinc/07/50/85/1030075085.db2.gz NJHKHPAORHVHGN-LLVKDONJSA-N 0 0 355.394 2.568 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CN(C)C(=O)c2ccccc21 ZINC000783588067 1030168235 /nfs/dbraw/zinc/16/82/35/1030168235.db2.gz JNPWIBWPBBYDSD-LJQANCHMSA-N 0 0 351.450 2.547 20 10 FFCDRN Nc1ccc(NC(=O)N2CCN(C(=O)Cc3ccccc3Cl)CC2)cc1 ZINC000841301146 1030170942 /nfs/dbraw/zinc/17/09/42/1030170942.db2.gz CGWLPTFXXPZYED-UHFFFAOYSA-N 0 0 372.856 2.841 20 10 FFCDRN COC(=O)c1ccc(N2CCN(C(=O)Nc3ccc(N)cc3)[C@@H](C)C2)cc1 ZINC000841301425 1030172604 /nfs/dbraw/zinc/17/26/04/1030172604.db2.gz OOGMBLLYGIEPLL-AWEZNQCLSA-N 0 0 368.437 2.798 20 10 FFCDRN C[C@H](NC(=O)[C@H]1CCCN1C(=O)c1ccccc1O)c1ccccc1O ZINC000827969571 1030291124 /nfs/dbraw/zinc/29/11/24/1030291124.db2.gz OYYYQHKFMCRJJC-XJKSGUPXSA-N 0 0 354.406 2.580 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1COCc2ccccc21 ZINC000841580976 1030346450 /nfs/dbraw/zinc/34/64/50/1030346450.db2.gz JVLGXCOAHQKXPD-HXUWFJFHSA-N 0 0 367.449 2.594 20 10 FFCDRN CC(C)C(=O)Nc1ccc(CNC(=O)NCCc2ccc(N)cc2)cc1 ZINC000841675774 1030394678 /nfs/dbraw/zinc/39/46/78/1030394678.db2.gz QXXMFGGLLOWFGY-UHFFFAOYSA-N 0 0 354.454 2.905 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc([C@@H]2CCC(=O)N2)c1 ZINC000841760009 1030448041 /nfs/dbraw/zinc/44/80/41/1030448041.db2.gz QXOJHTYELVZNPW-WBMJQRKESA-N 0 0 369.421 2.802 20 10 FFCDRN COCCCOc1cccc(CNC(=O)NCCc2ccc(N)cc2)c1 ZINC000841862710 1030508117 /nfs/dbraw/zinc/50/81/17/1030508117.db2.gz ALQKKAPXIFNJLB-UHFFFAOYSA-N 0 0 357.454 2.726 20 10 FFCDRN Nc1ccc(CCNC(=O)N[C@H]2CCCN(c3ccccc3F)C2)cc1 ZINC000841870938 1030511725 /nfs/dbraw/zinc/51/17/25/1030511725.db2.gz ZXZCPIAHSLPVEX-KRWDZBQOSA-N 0 0 356.445 2.919 20 10 FFCDRN COCc1cc(N2CCc3c(c4cc(OC)ccc4n3C)C2)nc(C)n1 ZINC001166816149 1030530876 /nfs/dbraw/zinc/53/08/76/1030530876.db2.gz UUCSYTBNGOJKHB-UHFFFAOYSA-N 0 0 352.438 2.994 20 10 FFCDRN CCOC(=O)c1ccc(N2CCc3c(c4cc(OC)ccc4n3C)C2)nn1 ZINC001166815972 1030531212 /nfs/dbraw/zinc/53/12/12/1030531212.db2.gz NHJPHDHQCMGUGO-UHFFFAOYSA-N 0 0 366.421 2.716 20 10 FFCDRN [O-]c1cc(F)c(F)cc1C[N@@H+]1C[C@@H]2COC[C@]2(COc2cccnc2)C1 ZINC001142517527 1030566767 /nfs/dbraw/zinc/56/67/67/1030566767.db2.gz QHQLTTXBWNQCJQ-KUHUBIRLSA-N 0 0 362.376 2.593 20 10 FFCDRN CCN(C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)c1ccc(OC)cc1 ZINC000842151507 1030623408 /nfs/dbraw/zinc/62/34/08/1030623408.db2.gz BTTCVJNXICZODJ-KRWDZBQOSA-N 0 0 370.449 2.846 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N[C@H]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000842188179 1030635254 /nfs/dbraw/zinc/63/52/54/1030635254.db2.gz IJURNDAMHXVEKV-QUCCMNQESA-N 0 0 365.477 2.770 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N2CCC[C@@H]2CC2CCCCC2)cc1 ZINC000842235645 1030651132 /nfs/dbraw/zinc/65/11/32/1030651132.db2.gz IUDNCEAHPKUWSA-LJQANCHMSA-N 0 0 357.498 2.889 20 10 FFCDRN Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)C(=O)NCCc2ccc(N)cc2)C1 ZINC000842237877 1030651192 /nfs/dbraw/zinc/65/11/92/1030651192.db2.gz YCWLCAJWCVJBNH-AEFFLSMTSA-N 0 0 365.477 2.641 20 10 FFCDRN CCn1c(C)cc(C(=O)CN(C)c2ccc(OCC(=O)OC)cc2)c1C ZINC000784562275 1030682845 /nfs/dbraw/zinc/68/28/45/1030682845.db2.gz VXEWQKORNAOGRG-UHFFFAOYSA-N 0 0 358.438 2.996 20 10 FFCDRN COC(=O)COc1ccc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)cc1 ZINC000784563762 1030684231 /nfs/dbraw/zinc/68/42/31/1030684231.db2.gz JRNSUCWHYOOYDK-INIZCTEOSA-N 0 0 370.449 2.894 20 10 FFCDRN Cc1ccc(CN2CCO[C@H](C[NH2+]Cc3cc(F)cc(F)c3[O-])C2)cc1 ZINC001203402066 1030687079 /nfs/dbraw/zinc/68/70/79/1030687079.db2.gz CUKWHLOORWMCGQ-GOSISDBHSA-N 0 0 362.420 2.969 20 10 FFCDRN COC[C@@H]1CN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000784667420 1030743663 /nfs/dbraw/zinc/74/36/63/1030743663.db2.gz IDLGPNJNXUVCAW-WBVHZDCISA-N 0 0 363.458 2.821 20 10 FFCDRN CC(=CC(=O)OCC(=O)c1ccc(O)c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000784687260 1030756011 /nfs/dbraw/zinc/75/60/11/1030756011.db2.gz YQFDPZOOEWDSPG-FLIBITNWSA-N 0 0 357.318 2.835 20 10 FFCDRN Cc1cc(O)c(CNc2ccc3c(c2)S(=O)(=O)CC(=O)N3)c(Cl)c1 ZINC001203559820 1030768356 /nfs/dbraw/zinc/76/83/56/1030768356.db2.gz WCZNZEBZAQLLNX-UHFFFAOYSA-N 0 0 366.826 2.692 20 10 FFCDRN CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC001203580960 1030769820 /nfs/dbraw/zinc/76/98/20/1030769820.db2.gz ZEKTUSFJJRQIFF-KFWWJZLASA-N 0 0 373.280 2.955 20 10 FFCDRN COc1ccc([N+](=O)[O-])c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142727624 1030769935 /nfs/dbraw/zinc/76/99/35/1030769935.db2.gz BNPPFSLGRBQNPO-UHFFFAOYSA-N 0 0 353.334 2.787 20 10 FFCDRN COc1cccc(CN2CCO[C@H](CCNC(=O)OC(C)(C)C)C2)c1O ZINC001203585108 1030773887 /nfs/dbraw/zinc/77/38/87/1030773887.db2.gz LWOBSOHAMMGOHT-OAHLLOKOSA-N 0 0 366.458 2.516 20 10 FFCDRN Oc1ccc(Br)cc1CN1CC[C@@](O)(C(F)(F)F)[C@H](F)C1 ZINC001203636592 1030798362 /nfs/dbraw/zinc/79/83/62/1030798362.db2.gz YBZMOHDIDMFJRR-NEPJUHHUSA-N 0 0 372.156 2.992 20 10 FFCDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)OCC(=O)c2ccc(O)c(O)c2)c1 ZINC000784894617 1030870658 /nfs/dbraw/zinc/87/06/58/1030870658.db2.gz IAGSZJYVFTZPEV-DZGCQCFKSA-N 0 0 372.373 2.645 20 10 FFCDRN C[C@@H](Oc1ccc(C=O)cc1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000796804587 1030922647 /nfs/dbraw/zinc/92/26/47/1030922647.db2.gz WULHWFAWYNDBRG-CQSZACIVSA-N 0 0 354.406 2.758 20 10 FFCDRN CC(=O)N1CC[C@@]2(c3ccccc3)CC[N@H+](Cc3ccc(O)c(O)c3)C[C@@H]12 ZINC001203877116 1030949991 /nfs/dbraw/zinc/94/99/91/1030949991.db2.gz MGMAZPJCHWWJAJ-FGZHOGPDSA-N 0 0 366.461 2.862 20 10 FFCDRN COc1cccc(C(=O)NC2CC[NH+](Cc3ccc(O)c(O)c3)CC2)c1 ZINC001203878725 1030951526 /nfs/dbraw/zinc/95/15/26/1030951526.db2.gz AZAMZSXAKGUHNM-UHFFFAOYSA-N 0 0 356.422 2.501 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(O)c(O)c2)CCC1(F)F ZINC001203879927 1030954759 /nfs/dbraw/zinc/95/47/59/1030954759.db2.gz HEZVOVYSBURQAK-CQSZACIVSA-N 0 0 358.385 2.832 20 10 FFCDRN CCN(CC)c1ccc(CN2C[C@](O)(C(F)(F)F)C[C@@H]2C(=O)OC)cc1 ZINC001203935272 1030995445 /nfs/dbraw/zinc/99/54/45/1030995445.db2.gz 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FC(F)Oc1ccc(N2CCC(N=c3nc[nH]n3CC3CC3)CC2)cc1 ZINC001336507844 1054034429 /nfs/dbraw/zinc/03/44/29/1054034429.db2.gz XMRXCRRQIBEIQR-UHFFFAOYSA-N 0 0 363.412 2.792 20 10 FFCDRN CC(=O)NC1CCC(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)CC1 ZINC001336659450 1054120125 /nfs/dbraw/zinc/12/01/25/1054120125.db2.gz BMDUWAZVHOSIJT-UHFFFAOYSA-N 0 0 357.498 2.939 20 10 FFCDRN O=S1(=O)CCN(c2ccc(CNc3cc(Cl)ccn3)cc2)CC1 ZINC001336693751 1054144026 /nfs/dbraw/zinc/14/40/26/1054144026.db2.gz SZEGWXUQBAYXLP-UHFFFAOYSA-N 0 0 351.859 2.582 20 10 FFCDRN Cc1cc(CC(=O)N2CCC[C@H](C(=O)N(C)C)C2)c(C)n1-c1ccccc1 ZINC001347736310 1054269903 /nfs/dbraw/zinc/26/99/03/1054269903.db2.gz YOKLXTHIWFHCLY-SFHVURJKSA-N 0 0 367.493 2.963 20 10 FFCDRN O=C(CCc1cccc(O)c1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001347967321 1054511008 /nfs/dbraw/zinc/51/10/08/1054511008.db2.gz UCZSDUAPVMMYOZ-UHFFFAOYSA-N 0 0 372.440 2.741 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@H](c1ccncc1)C1CC1 ZINC001351962524 1055089024 /nfs/dbraw/zinc/08/90/24/1055089024.db2.gz 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FFCDRN CCn1c([C@@H]2C[C@@H]2C)nnc1N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001520989422 1060279283 /nfs/dbraw/zinc/27/92/83/1060279283.db2.gz VDWUYDFUJFSRQU-GOEBONIOSA-N 0 0 371.485 2.765 20 10 FFCDRN COC[C@@]1(C)CN(c2nnc(C3SC=CC3=O)n2CC(C)C)CCO1 ZINC001517458756 1060510872 /nfs/dbraw/zinc/51/08/72/1060510872.db2.gz KZOMQDCPAQDHGZ-QGZVFWFLSA-N 0 0 366.487 2.610 20 10 FFCDRN CS(=O)(=O)CCCNc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 ZINC001458124234 1060520994 /nfs/dbraw/zinc/52/09/94/1060520994.db2.gz XRVKVENMHILKKY-UHFFFAOYSA-N 0 0 362.407 2.672 20 10 FFCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NC[C@@H](O)c1c[nH]cn1 ZINC001458591740 1060630679 /nfs/dbraw/zinc/63/06/79/1060630679.db2.gz PRICDKLQLTVKQW-QGZVFWFLSA-N 0 0 352.350 2.694 20 10 FFCDRN COC(=O)c1cc(OCC(=O)N[C@@H](C)c2cccs2)ccc1N(C)C ZINC001459238655 1060729389 /nfs/dbraw/zinc/72/93/89/1060729389.db2.gz OFOKBSXLMQGEAG-LBPRGKRZSA-N 0 0 362.451 2.857 20 10 FFCDRN CCCC[C@@](C)(F)C(=O)OCc1cc(=O)n2ncc(C(=O)OCC)c2[nH]1 ZINC000849845196 1060861221 /nfs/dbraw/zinc/86/12/21/1060861221.db2.gz AYZWBFZJZJBSLB-QGZVFWFLSA-N 0 0 367.377 2.573 20 10 FFCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N(C)Cc1cnn(C)c1 ZINC001521587130 1060993061 /nfs/dbraw/zinc/99/30/61/1060993061.db2.gz FKVUCNZRWUMBHB-UHFFFAOYSA-N 0 0 369.454 2.650 20 10 FFCDRN O=c1[nH]c2ccc(S(=O)(=O)NCc3cc(Cl)ccc3O)cc2s1 ZINC001475467678 1061102994 /nfs/dbraw/zinc/10/29/94/1061102994.db2.gz RKJFQZUCZRXOMC-UHFFFAOYSA-N 0 0 370.839 2.839 20 10 FFCDRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c2cccnc12 ZINC001475586041 1061150308 /nfs/dbraw/zinc/15/03/08/1061150308.db2.gz TVUWZIQOGFSEAP-LBPRGKRZSA-N 0 0 358.419 2.989 20 10 FFCDRN CCOC(=O)c1c(NC(=O)C[C@H]2CCNC2=O)sc2c1CCCCC2 ZINC001526892684 1061312898 /nfs/dbraw/zinc/31/28/98/1061312898.db2.gz AQEKOWXJXVDAGW-LLVKDONJSA-N 0 0 364.467 2.658 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCO[C@@H](C(F)F)C2)n1CC1CC1 ZINC001527165134 1061411621 /nfs/dbraw/zinc/41/16/21/1061411621.db2.gz PKNSAWLHUBKDJA-LLVKDONJSA-N 0 0 356.398 2.593 20 10 FFCDRN CNc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccn1 ZINC001527414126 1061490454 /nfs/dbraw/zinc/49/04/54/1061490454.db2.gz NOLXMQMSPFKPFO-UHFFFAOYSA-N 0 0 371.510 2.676 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1cccc(C(=O)N2CCCCC2)c1 ZINC001528035967 1061724343 /nfs/dbraw/zinc/72/43/43/1061724343.db2.gz CVAJQYFHESPDFY-UHFFFAOYSA-N 0 0 354.406 2.654 20 10 FFCDRN O=C(/C=C/c1cccnc1)N1CCNC(=O)c2cc(Br)ccc21 ZINC001463019768 1061892248 /nfs/dbraw/zinc/89/22/48/1061892248.db2.gz KMLOZSXUPHQJBP-ZZXKWVIFSA-N 0 0 372.222 2.634 20 10 FFCDRN Cc1ncccc1/C=C\C(=O)N1CCOc2ncc(Br)cc21 ZINC001528421916 1061901398 /nfs/dbraw/zinc/90/13/98/1061901398.db2.gz STRIYWKJSVSNRQ-PLNGDYQASA-N 0 0 360.211 2.986 20 10 FFCDRN COC(=O)c1c(Cl)cccc1S(=O)(=O)N(C)Cc1ccccc1O ZINC001463182722 1061977169 /nfs/dbraw/zinc/97/71/69/1061977169.db2.gz RGGUPMGPXUJCHB-UHFFFAOYSA-N 0 0 369.826 2.653 20 10 FFCDRN C[C@@]1(CNC(=O)NCc2cccc(Br)c2O)CCCCO1 ZINC001479464598 1062436028 /nfs/dbraw/zinc/43/60/28/1062436028.db2.gz TVLMUTVESNYQBW-HNNXBMFYSA-N 0 0 357.248 2.913 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N(CC(F)F)C1CCC1 ZINC001523653188 1062564336 /nfs/dbraw/zinc/56/43/36/1062564336.db2.gz PEEBFTSTWJFCJZ-UHFFFAOYSA-N 0 0 358.414 2.983 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc(-n2ccnn2)ccc1F ZINC001530833308 1062644166 /nfs/dbraw/zinc/64/41/66/1062644166.db2.gz IUFOYMWYCMEILC-UHFFFAOYSA-N 0 0 353.401 2.711 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3ccccc3-n3cccn3)C2)cc1 ZINC001531729372 1062862323 /nfs/dbraw/zinc/86/23/23/1062862323.db2.gz DSPUUJJGWRKOHH-INIZCTEOSA-N 0 0 362.433 2.890 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[C@@H]1CC[C@H](C)O1 ZINC001546151947 1062977514 /nfs/dbraw/zinc/97/75/14/1062977514.db2.gz MPNKPLOUBOWYNL-WFASDCNBSA-N 0 0 369.845 2.895 20 10 FFCDRN Cc1cc(C(=O)NCc2ncc[nH]2)c(C)n1-c1ccc(Br)cn1 ZINC001465168787 1062996461 /nfs/dbraw/zinc/99/64/61/1062996461.db2.gz JSGHNJNTLBCAGB-UHFFFAOYSA-N 0 0 374.242 2.905 20 10 FFCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@@]1(C)COCCO1 ZINC001495136196 1063449330 /nfs/dbraw/zinc/44/93/30/1063449330.db2.gz HVPKYKXYMWMHMN-YWZLYKJASA-N 0 0 374.485 2.939 20 10 FFCDRN Cc1noc(-c2ccc(NC(=O)NCc3ccc(N(C)C)cc3)cn2)n1 ZINC001466591400 1063486199 /nfs/dbraw/zinc/48/61/99/1063486199.db2.gz JETQTNJAPYOWRO-UHFFFAOYSA-N 0 0 352.398 2.828 20 10 FFCDRN CCOC(=O)[C@@H](C)NC(=O)c1ccc(C)c(-n2c(C)cc(C=O)c2C)c1 ZINC001442262037 1063515040 /nfs/dbraw/zinc/51/50/40/1063515040.db2.gz MPCVRTGPZJBNIY-CQSZACIVSA-N 0 0 356.422 2.896 20 10 FFCDRN CC(C)[C@@H](O)CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466894294 1063585737 /nfs/dbraw/zinc/58/57/37/1063585737.db2.gz QKOPPMWTPAGCSM-HNNXBMFYSA-N 0 0 353.426 2.925 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2occc(=O)c2c1 ZINC001467557509 1063781409 /nfs/dbraw/zinc/78/14/09/1063781409.db2.gz NHCKNCLKUIJPMA-NSHDSACASA-N 0 0 354.362 2.957 20 10 FFCDRN CN(C)C(=O)c1ccc(CNC(=O)NCc2cc(Cl)ccc2O)cc1 ZINC001467938969 1063888837 /nfs/dbraw/zinc/88/88/37/1063888837.db2.gz GJENUZZDGKYDMS-UHFFFAOYSA-N 0 0 361.829 2.747 20 10 FFCDRN Cn1cnc2cc(CNC(=O)NCc3ccc(N4CC=CC4)cc3)ccc21 ZINC001468967979 1064067800 /nfs/dbraw/zinc/06/78/00/1064067800.db2.gz MTOKGJSYCXXMPU-UHFFFAOYSA-N 0 0 361.449 2.949 20 10 FFCDRN Cn1nc(C(F)F)c2cc(C(=O)NCc3ccc(O)cc3O)sc21 ZINC001469162156 1064101814 /nfs/dbraw/zinc/10/18/14/1064101814.db2.gz KUAJWXQQYDIHQT-UHFFFAOYSA-N 0 0 353.350 2.914 20 10 FFCDRN CC[C@@H](CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)C(=O)OC ZINC001469415250 1064143021 /nfs/dbraw/zinc/14/30/21/1064143021.db2.gz WAXZTFDCSKLFFU-HNNXBMFYSA-N 0 0 356.422 2.836 20 10 FFCDRN CC[C@H](CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)C(=O)OC ZINC001469415255 1064143141 /nfs/dbraw/zinc/14/31/41/1064143141.db2.gz WAXZTFDCSKLFFU-OAHLLOKOSA-N 0 0 356.422 2.836 20 10 FFCDRN O=C(N[C@@H]1CCC2(C1)OCCO2)N(Cc1ccco1)Cc1ccccc1O ZINC001469571038 1064171043 /nfs/dbraw/zinc/17/10/43/1064171043.db2.gz RUAVSPVNUKAKJQ-MRXNPFEDSA-N 0 0 372.421 2.993 20 10 FFCDRN C[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(=O)OCc1ccccc1 ZINC001469644425 1064185411 /nfs/dbraw/zinc/18/54/11/1064185411.db2.gz UGWRZGQBLBEBIT-LBPRGKRZSA-N 0 0 354.366 2.711 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@H]3CCC[C@@H]3C)CC2)c(OC)c1 ZINC001469935273 1064230002 /nfs/dbraw/zinc/23/00/02/1064230002.db2.gz KQDGQGFAVCXOLO-JKSUJKDBSA-N 0 0 361.486 2.972 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cccc4nsnc43)C2)cc1 ZINC001470020606 1064245145 /nfs/dbraw/zinc/24/51/45/1064245145.db2.gz RCJZBYLDQXWCRS-GFCCVEGCSA-N 0 0 354.435 2.709 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@H](OC)C2CCCC2)cc1 ZINC001470913873 1064488535 /nfs/dbraw/zinc/48/85/35/1064488535.db2.gz NADSLFLBFJFFPS-IBGZPJMESA-N 0 0 363.502 2.978 20 10 FFCDRN Cc1c(C(=O)N[C@@H](C)c2ccccc2O)nnn1Cc1ccc(F)cc1 ZINC001471195197 1064596400 /nfs/dbraw/zinc/59/64/00/1064596400.db2.gz UKRDKKUJRDMVOL-LBPRGKRZSA-N 0 0 354.385 2.971 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCN2CCc3ccccc32)c1 ZINC001471289096 1064626815 /nfs/dbraw/zinc/62/68/15/1064626815.db2.gz MGKKQZPCGKFXKZ-AWEZNQCLSA-N 0 0 355.438 2.824 20 10 FFCDRN Cc1cc(C)c(N2C[C@H](C(=O)NCc3cc(O)ccc3O)CC2=O)c(C)c1 ZINC001471661013 1064749229 /nfs/dbraw/zinc/74/92/29/1064749229.db2.gz DERPKSGPUPHIFZ-MRXNPFEDSA-N 0 0 368.433 2.692 20 10 FFCDRN C[C@H](NC(=O)NCc1cc(Cl)ccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC001575297158 1078127058 /nfs/dbraw/zinc/12/70/58/1078127058.db2.gz FNCKKRRBLMBWMR-JTQLQIEISA-N 0 0 372.816 2.786 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](CO)C[C@@H]1CCCO1 ZINC001471897320 1064843640 /nfs/dbraw/zinc/84/36/40/1064843640.db2.gz KBQWRRNDZVJWHG-MSOLQXFVSA-N 0 0 370.449 2.566 20 10 FFCDRN C[C@](O)(C(=O)NCc1c(O)cccc1O)c1cccc(C(F)(F)F)c1 ZINC001472063705 1064913941 /nfs/dbraw/zinc/91/39/41/1064913941.db2.gz NWBZUAPWDSDLGC-MRXNPFEDSA-N 0 0 355.312 2.641 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1NC(=O)C[C@H]1c1ccccc1 ZINC001472466214 1065074308 /nfs/dbraw/zinc/07/43/08/1065074308.db2.gz WXDZRAWJWNSBNH-LBPRGKRZSA-N 0 0 354.387 2.931 20 10 FFCDRN COc1ccc(N(CCC(C)C)CC(=O)N=[S@@](C)(=O)N(C)C)cc1 ZINC001473445181 1065264142 /nfs/dbraw/zinc/26/41/42/1065264142.db2.gz BLOAMQQCCWAPLX-XMMPIXPASA-N 0 0 355.504 2.649 20 10 FFCDRN C[C@@H](NCc1ccc(N2CCC(O)CC2)cc1)c1nc(C(F)(F)F)n[nH]1 ZINC001474724565 1065590452 /nfs/dbraw/zinc/59/04/52/1065590452.db2.gz SRCYWJZSXLBNFE-LLVKDONJSA-N 0 0 369.391 2.635 20 10 FFCDRN Cc1cc(CC(=O)N2CC[C@@H](Cc3cn[nH]n3)C2)c(C)n1-c1ccccc1 ZINC001577321334 1078337683 /nfs/dbraw/zinc/33/76/83/1078337683.db2.gz UDMAYQBSFNLMDP-KRWDZBQOSA-N 0 0 363.465 2.846 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2cccc(N)n2)cc1 ZINC001578425630 1078473233 /nfs/dbraw/zinc/47/32/33/1078473233.db2.gz KAODVPAPYWFXPG-UHFFFAOYSA-N 0 0 352.360 2.935 20 10 FFCDRN Cc1c(C(=O)Oc2ccc(N)cc2)nnn1CCOc1ccc(F)cc1 ZINC001579529057 1078639845 /nfs/dbraw/zinc/63/98/45/1078639845.db2.gz XTAOEYHIJYVLDO-UHFFFAOYSA-N 0 0 356.357 2.606 20 10 FFCDRN Nc1ccc(NC(=O)[C@@]2(F)CCN(C(=O)OCc3ccccc3)C2)cc1 ZINC001580447821 1078806987 /nfs/dbraw/zinc/80/69/87/1078806987.db2.gz MZSRTNNPYHNWLQ-LJQANCHMSA-N 0 0 357.385 2.958 20 10 FFCDRN C[C@H](NC(=O)c1n[nH]c2c1C[C@@H](C)CC2)c1ccc(N2CCOCC2)cc1 ZINC001583676488 1079248504 /nfs/dbraw/zinc/24/85/04/1079248504.db2.gz NVVSIRKKLWSXCD-GJZGRUSLSA-N 0 0 368.481 2.862 20 10 FFCDRN C[C@@H](NC(=O)c1n[nH]c2c1C[C@@H](C)CC2)c1ccc(N2CCOCC2)cc1 ZINC001583676490 1079248559 /nfs/dbraw/zinc/24/85/59/1079248559.db2.gz NVVSIRKKLWSXCD-LSDHHAIUSA-N 0 0 368.481 2.862 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 ZINC001583816320 1079270195 /nfs/dbraw/zinc/27/01/95/1079270195.db2.gz GFCUVGDYHBRULS-UHFFFAOYSA-N 0 0 351.702 2.792 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3oc4ccccc4c3CO)C2)cc1 ZINC001584230127 1079326083 /nfs/dbraw/zinc/32/60/83/1079326083.db2.gz OBDQCAANVSQHKO-AWEZNQCLSA-N 0 0 366.417 2.942 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2CC2)n1CCSCCCO ZINC001554174919 1075608468 /nfs/dbraw/zinc/60/84/68/1075608468.db2.gz DSMMEXMFZCZFDY-UHFFFAOYSA-N 0 0 362.499 2.613 20 10 FFCDRN COc1cccc(-c2cc(NC(=O)Cc3ccc(O)c(O)c3)n(C)n2)c1 ZINC001556049217 1075694481 /nfs/dbraw/zinc/69/44/81/1075694481.db2.gz FPVPDGFPHKQTST-UHFFFAOYSA-N 0 0 353.378 2.688 20 10 FFCDRN CC1(c2cccc(CNC(=O)c3ccc(N=NC(N)=O)cc3)c2)OCCO1 ZINC001556825651 1075779044 /nfs/dbraw/zinc/77/90/44/1075779044.db2.gz IEXGLBWAQWCDQS-UHFFFAOYSA-N 0 0 368.393 2.999 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2c(NC(=O)OC(C)(C)C)cnn2C)c1 ZINC001557552007 1075860825 /nfs/dbraw/zinc/86/08/25/1075860825.db2.gz ABSBRDZUHPHJNC-UHFFFAOYSA-N 0 0 360.414 2.711 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)c1 ZINC001557553960 1075861435 /nfs/dbraw/zinc/86/14/35/1075861435.db2.gz RUMMYBDPGJPPOH-UHFFFAOYSA-N 0 0 355.362 2.627 20 10 FFCDRN CCN1C(=O)C[C@@H](C(=O)NCc2cc(O)ccc2O)[C@H]1c1cccc(C)c1 ZINC001558175666 1075956692 /nfs/dbraw/zinc/95/66/92/1075956692.db2.gz ZZCMGZKHTCOMGD-YLJYHZDGSA-N 0 0 368.433 2.632 20 10 FFCDRN CCOC(=O)[C@@](C)(NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccccc1 ZINC001558421082 1076001027 /nfs/dbraw/zinc/00/10/27/1076001027.db2.gz OHUHJQFUNZRYGK-XETPZZHUSA-N 0 0 355.390 2.706 20 10 FFCDRN C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1c(O)cccc1O ZINC001558533617 1076026929 /nfs/dbraw/zinc/02/69/29/1076026929.db2.gz ISZDYNOSNINETJ-SNVBAGLBSA-N 0 0 366.211 2.944 20 10 FFCDRN CC(C)n1nnnc1-c1cccc(NC(=O)Cc2ccc(O)c(O)c2)c1 ZINC001585810883 1079502995 /nfs/dbraw/zinc/50/29/95/1079502995.db2.gz UWHJSUYWILYKRC-UHFFFAOYSA-N 0 0 353.382 2.513 20 10 FFCDRN Cc1cc(C(=O)Cn2cc(C(N)=O)nn2)c(C)n1-c1ccc(C(C)C)cc1 ZINC001559392197 1076155212 /nfs/dbraw/zinc/15/52/12/1076155212.db2.gz RIGBWQFINHAPNE-UHFFFAOYSA-N 0 0 365.437 2.791 20 10 FFCDRN CN(Cc1nc2c(cnn2C)c(=O)[nH]1)c1ccc(-c2nccs2)cc1 ZINC001559896342 1076199452 /nfs/dbraw/zinc/19/94/52/1076199452.db2.gz JFARZCAPVCKATM-UHFFFAOYSA-N 0 0 352.423 2.829 20 10 FFCDRN NS(=O)(=O)c1cccc(CN(Cc2ccco2)Cc2ccccc2O)c1 ZINC001560628555 1076285843 /nfs/dbraw/zinc/28/58/43/1076285843.db2.gz LSEYBLCUAOSQOX-UHFFFAOYSA-N 0 0 372.446 2.835 20 10 FFCDRN CCCN(CC(=O)OCC)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001560648444 1076288037 /nfs/dbraw/zinc/28/80/37/1076288037.db2.gz OSEOYOLUMWZXTB-UHFFFAOYSA-N 0 0 364.417 2.879 20 10 FFCDRN COc1ccc(N2CCN(Cc3ccc(C)c(OC)n3)CC2)c(OC)c1 ZINC001560975425 1076315643 /nfs/dbraw/zinc/31/56/43/1076315643.db2.gz ADGBYLVHYHXPJK-UHFFFAOYSA-N 0 0 357.454 2.738 20 10 FFCDRN O=C(N1CCOCC1)C1([NH2+]Cc2cc(Cl)c(F)cc2[O-])CCCCC1 ZINC001561046384 1076323850 /nfs/dbraw/zinc/32/38/50/1076323850.db2.gz LQXBYNAOPHGYBE-UHFFFAOYSA-N 0 0 370.852 2.836 20 10 FFCDRN CC1CC(CS(=O)(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)C1 ZINC001561290119 1076357537 /nfs/dbraw/zinc/35/75/37/1076357537.db2.gz RPVKZOPOEYASIU-VMBOVVBDSA-N 0 0 353.484 2.749 20 10 FFCDRN COc1cc(F)c(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1F ZINC001561725496 1076413744 /nfs/dbraw/zinc/41/37/44/1076413744.db2.gz ZRSMHFVVGYZRNZ-UHFFFAOYSA-N 0 0 363.769 2.811 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)N[C@@H]3C[C@@]3(C)C(C)C)CC2)cc1 ZINC001563811396 1076584695 /nfs/dbraw/zinc/58/46/95/1076584695.db2.gz XHBLPYYUGACTCF-CTNGQTDRSA-N 0 0 374.529 2.551 20 10 FFCDRN CN(CCNC(=O)N(C)Cc1ccc(N2CCCC2)cc1)CC(F)(F)F ZINC001563997350 1076597906 /nfs/dbraw/zinc/59/79/06/1076597906.db2.gz SEWDQXDWAGXYMW-UHFFFAOYSA-N 0 0 372.435 2.922 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@@H](C)c2nc(C(F)(F)F)no2)c1 ZINC001565487249 1076735888 /nfs/dbraw/zinc/73/58/88/1076735888.db2.gz JXNWGAHFOXKTNR-YUMQZZPRSA-N 0 0 374.319 2.924 20 10 FFCDRN COCCCOc1cc(C)ccc1CNC(=O)Cc1ccc(O)c(O)c1 ZINC001566284279 1076941805 /nfs/dbraw/zinc/94/18/05/1076941805.db2.gz ACCWDFPWZIGGCF-UHFFFAOYSA-N 0 0 359.422 2.680 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1cc(=O)n(C)cn1 ZINC001566845751 1076985644 /nfs/dbraw/zinc/98/56/44/1076985644.db2.gz HRUVVGOVALLAGG-OAHLLOKOSA-N 0 0 363.417 2.890 20 10 FFCDRN Cc1ccc(C2=NO[C@H](CNC(=O)Cc3ccc(O)c(O)c3)C2)cc1C ZINC001568002713 1077065745 /nfs/dbraw/zinc/06/57/45/1077065745.db2.gz HRWHHVHNUVGNCO-INIZCTEOSA-N 0 0 354.406 2.567 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCCCCO ZINC001568378903 1077089571 /nfs/dbraw/zinc/08/95/71/1077089571.db2.gz PCYZSSJPJSOLBI-UHFFFAOYSA-N 0 0 364.486 2.928 20 10 FFCDRN COC(=O)c1sccc1C(=O)NCc1cccc(Br)c1O ZINC001568610341 1077102620 /nfs/dbraw/zinc/10/26/20/1077102620.db2.gz MLTJGWMHMVLRNG-UHFFFAOYSA-N 0 0 370.224 2.933 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1ccc2c(=O)[nH]cnc2c1 ZINC001568609765 1077102809 /nfs/dbraw/zinc/10/28/09/1077102809.db2.gz BDIVKCCGMIPMQC-UHFFFAOYSA-N 0 0 374.194 2.734 20 10 FFCDRN CCc1c(NC(=O)c2ccc(C)c(O)c2O)nnn1Cc1ccc(F)cc1 ZINC001570069321 1077180761 /nfs/dbraw/zinc/18/07/61/1077180761.db2.gz WVCVCTKQSGAIJW-UHFFFAOYSA-N 0 0 370.384 3.000 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(C2OCCO2)cc1 ZINC001570533548 1077214264 /nfs/dbraw/zinc/21/42/64/1077214264.db2.gz HQYITXXGVJHJHN-UHFFFAOYSA-N 0 0 350.374 2.916 20 10 FFCDRN COc1ccccc1-c1noc([C@H](C)NC(=O)Cc2ccc(O)c(O)c2)n1 ZINC001587234489 1079759107 /nfs/dbraw/zinc/75/91/07/1079759107.db2.gz YXDACNMCHAPWJL-NSHDSACASA-N 0 0 369.377 2.576 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cnn3c2nccc3-c2cccnc2)cc1 ZINC001587316878 1079772052 /nfs/dbraw/zinc/77/20/52/1079772052.db2.gz OFXNXUKTDMMYBD-UHFFFAOYSA-N 0 0 372.432 2.787 20 10 FFCDRN CCc1n[nH]c(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c1[N+](=O)[O-] ZINC001587552135 1079813077 /nfs/dbraw/zinc/81/30/77/1079813077.db2.gz KSVADWYPHNHKFX-UHFFFAOYSA-N 0 0 357.414 2.753 20 10 FFCDRN CC(C)(C(=O)NCc1cc(Cl)ccc1O)c1ccc(-c2nn[nH]n2)cc1 ZINC001589052815 1080327632 /nfs/dbraw/zinc/32/76/32/1080327632.db2.gz SEWWRGSQEZFYJH-UHFFFAOYSA-N 0 0 371.828 2.820 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCc2cc(-c3nn[nH]n3)ccc21)c1cc([N+](=O)[O-])ccc1[O-] ZINC001589955867 1080901940 /nfs/dbraw/zinc/90/19/40/1080901940.db2.gz NDYKXJQSJJUGDK-HWPZZCPQSA-N 0 0 366.381 2.819 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589958460 1080902829 /nfs/dbraw/zinc/90/28/29/1080902829.db2.gz YTVCBVQILMKTKL-GXTWGEPZSA-N 0 0 368.416 2.641 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589974434 1080915165 /nfs/dbraw/zinc/91/51/65/1080915165.db2.gz VRCBPFGUBVIQRJ-ZUZCIYMTSA-N 0 0 355.373 2.886 20 10 FFCDRN C[C@H]([NH2+]CC1(C)CCC2(CC1)OCCO2)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589978123 1080916290 /nfs/dbraw/zinc/91/62/90/1080916290.db2.gz KSZMUFICUARUKA-ZDUSSCGKSA-N 0 0 373.457 2.546 20 10 FFCDRN C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589984626 1080922179 /nfs/dbraw/zinc/92/21/79/1080922179.db2.gz RJKQCMOWXLHOMC-LLVKDONJSA-N 0 0 364.409 2.638 20 10 FFCDRN COc1cc(CC2CN(C(=O)/C=C/c3ccc(O)c(O)c3)C2)cc(OC)c1 ZINC000373112127 512176819 /nfs/dbraw/zinc/17/68/19/512176819.db2.gz JVJKYCAKDXLVNZ-GQCTYLIASA-N 0 0 369.417 2.829 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc3c(c2)NC(=O)CCS3)c1O ZINC000369032181 512191624 /nfs/dbraw/zinc/19/16/24/512191624.db2.gz FCOLTLOYOOIAGY-UHFFFAOYSA-N 0 0 358.419 2.765 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)C[C@@]2(CCCOC2)O1 ZINC000369057732 512206408 /nfs/dbraw/zinc/20/64/08/512206408.db2.gz WFJMHEGKXRMKNJ-HRAATJIYSA-N 0 0 373.497 2.549 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1cc(Br)cc(F)c1[O-] ZINC000373252336 512241915 /nfs/dbraw/zinc/24/19/15/512241915.db2.gz NABMFIVPXWWTOS-DRZSPHRISA-N 0 0 373.266 2.808 20 10 FFCDRN O=[N+]([O-])c1c(NCc2ccc(N3CCOCC3)cc2)nc2sccn21 ZINC000053583216 506410474 /nfs/dbraw/zinc/41/04/74/506410474.db2.gz ZBYOVFTWRWYOSS-UHFFFAOYSA-N 0 0 359.411 2.753 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Cn1c(=O)cnc2ccccc21 ZINC000066096790 506421237 /nfs/dbraw/zinc/42/12/37/506421237.db2.gz NZHHIXWEKMAQDG-UHFFFAOYSA-N 0 0 351.406 2.541 20 10 FFCDRN CC(=O)Nc1ccc(F)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054285412 506531485 /nfs/dbraw/zinc/53/14/85/506531485.db2.gz KDMAAZDKUIPHRL-UHFFFAOYSA-N 0 0 371.412 2.551 20 10 FFCDRN Cc1cc2nc(C)c(CCC(=O)N(C)Cc3ccccc3O)c(C)n2n1 ZINC000042117458 506599253 /nfs/dbraw/zinc/59/92/53/506599253.db2.gz MAFAXEOXVSFWDG-UHFFFAOYSA-N 0 0 352.438 2.951 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000066700355 506614469 /nfs/dbraw/zinc/61/44/69/506614469.db2.gz MTIDCNBTQHAUQD-KRWDZBQOSA-N 0 0 369.469 2.773 20 10 FFCDRN CO[C@H](CNC(=O)NCc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000054785764 506621361 /nfs/dbraw/zinc/62/13/61/506621361.db2.gz ZIFOJATVRWOUED-HXUWFJFHSA-N 0 0 369.465 2.710 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCCCCNC(C)=O)cc1F ZINC000066841581 506660915 /nfs/dbraw/zinc/66/09/15/506660915.db2.gz UICZGXCFQPNAFJ-UHFFFAOYSA-N 0 0 351.466 2.985 20 10 FFCDRN O=C(NCc1ccc(F)cc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000056332413 506986805 /nfs/dbraw/zinc/98/68/05/506986805.db2.gz XEJIZWHORNWUFM-UHFFFAOYSA-N 0 0 361.392 2.801 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccnc1 ZINC000046405415 507131223 /nfs/dbraw/zinc/13/12/23/507131223.db2.gz XMZDAZORXAXVLE-UHFFFAOYSA-N 0 0 365.355 2.867 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCc3cccc(O)c3)CC2)cc1 ZINC000057179994 507197419 /nfs/dbraw/zinc/19/74/19/507197419.db2.gz GDMVYMFHELFNQK-UHFFFAOYSA-N 0 0 355.438 2.823 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 ZINC000021391616 507254369 /nfs/dbraw/zinc/25/43/69/507254369.db2.gz BQVLWHUBFCGHDD-QGZVFWFLSA-N 0 0 355.413 2.976 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(Cl)nc1 ZINC000047293785 507304536 /nfs/dbraw/zinc/30/45/36/507304536.db2.gz UYDZGGAMWXAFBO-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1ccccc1CN1CCOCC1 ZINC000048148865 507464788 /nfs/dbraw/zinc/46/47/88/507464788.db2.gz LTZFABRBRZWSLY-UHFFFAOYSA-N 0 0 355.438 2.888 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2N2CCCC2)cc1 ZINC000049153481 507598392 /nfs/dbraw/zinc/59/83/92/507598392.db2.gz YZNNFLNALBVAOG-UHFFFAOYSA-N 0 0 366.465 2.608 20 10 FFCDRN COc1cc(OC)c(OC)cc1CNC(=O)NCc1ccc(N(C)C)cc1 ZINC000031727273 507821239 /nfs/dbraw/zinc/82/12/39/507821239.db2.gz SVOXFTYKKSOZPH-UHFFFAOYSA-N 0 0 373.453 2.778 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccn2)cc1F ZINC000077984419 507823980 /nfs/dbraw/zinc/82/39/80/507823980.db2.gz CTXWRRQIEISXCX-LJQANCHMSA-N 0 0 356.445 2.568 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CSc1ccncc1 ZINC000072845905 507862132 /nfs/dbraw/zinc/86/21/32/507862132.db2.gz DMZQURNMFGMQBH-UHFFFAOYSA-N 0 0 357.479 2.669 20 10 FFCDRN C[C@@H](NC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O)C1CC1 ZINC000073301233 507911107 /nfs/dbraw/zinc/91/11/07/507911107.db2.gz RBTNUDLRFJYHOX-SNVBAGLBSA-N 0 0 364.357 2.899 20 10 FFCDRN CN(Cc1cccnc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000109395161 507959941 /nfs/dbraw/zinc/95/99/41/507959941.db2.gz IVYDPXYMXXXPPU-UHFFFAOYSA-N 0 0 372.444 2.523 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccccc2-n2ccnc2)c1O ZINC000073865694 507961889 /nfs/dbraw/zinc/96/18/89/507961889.db2.gz NZSXOOSJEZMIRX-UHFFFAOYSA-N 0 0 352.394 2.586 20 10 FFCDRN CCN(CC)C(=O)c1cccc(NC(=O)CN(C)Cc2ccccc2O)c1 ZINC000109769417 507986228 /nfs/dbraw/zinc/98/62/28/507986228.db2.gz RCGQNSNBARQAKX-UHFFFAOYSA-N 0 0 369.465 2.945 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)NC(C1CC1)C1CC1 ZINC000079953723 508019396 /nfs/dbraw/zinc/01/93/96/508019396.db2.gz ICWKZQKRHUFLGL-UHFFFAOYSA-N 0 0 361.461 2.775 20 10 FFCDRN CO[C@@H]1CCCC[C@@H]1NC(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000075097240 508082219 /nfs/dbraw/zinc/08/22/19/508082219.db2.gz NWNZQGDDYIKJMH-RBUKOAKNSA-N 0 0 361.486 2.622 20 10 FFCDRN CCC[C@H](C)[C@H]1CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000092762140 508100303 /nfs/dbraw/zinc/10/03/03/508100303.db2.gz BPVQQLJFEHATBJ-SWLSCSKDSA-N 0 0 354.472 2.805 20 10 FFCDRN C[C@H]1c2ccccc2CCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000094123287 508169765 /nfs/dbraw/zinc/16/97/65/508169765.db2.gz TUSVCHZEWSYDKA-LBPRGKRZSA-N 0 0 360.435 2.523 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1occc1Br ZINC000081710618 508205686 /nfs/dbraw/zinc/20/56/86/508205686.db2.gz LTUUWVJSUUDSTK-UHFFFAOYSA-N 0 0 365.227 2.809 20 10 FFCDRN CC(C)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000081945278 508221520 /nfs/dbraw/zinc/22/15/20/508221520.db2.gz ZZKKIZLHQOEPEY-UHFFFAOYSA-N 0 0 354.454 2.669 20 10 FFCDRN COCC[C@H](C)SCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000088307480 508364292 /nfs/dbraw/zinc/36/42/92/508364292.db2.gz QJPLJIWCQYOCQW-HNNXBMFYSA-N 0 0 352.500 2.502 20 10 FFCDRN Cc1noc(C)c1NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000077760741 508368181 /nfs/dbraw/zinc/36/81/81/508368181.db2.gz RKFWZEPYGUUPKF-UHFFFAOYSA-N 0 0 370.453 2.783 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc([N+](=O)[O-])cc1F ZINC000121744245 508408857 /nfs/dbraw/zinc/40/88/57/508408857.db2.gz IXWKWHIIVPPDJQ-UHFFFAOYSA-N 0 0 373.384 2.843 20 10 FFCDRN CSCc1nc2ccccc2n1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000156578104 508444041 /nfs/dbraw/zinc/44/40/41/508444041.db2.gz OXWPJZYYDVTTLI-UHFFFAOYSA-N 0 0 371.462 2.669 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H]1CCCCO1 ZINC000121950012 508455613 /nfs/dbraw/zinc/45/56/13/508455613.db2.gz WJTCGKAPDJSHLD-MRXNPFEDSA-N 0 0 354.397 2.942 20 10 FFCDRN CC1CCN(c2ccc(C(=O)NCCc3ccc(O)c(O)c3)cn2)CC1 ZINC000156646362 508455689 /nfs/dbraw/zinc/45/56/89/508455689.db2.gz HXOOURDPLNPHIL-UHFFFAOYSA-N 0 0 355.438 2.702 20 10 FFCDRN Cc1nn(CC(C)C)c(C)c1CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000156693397 508463122 /nfs/dbraw/zinc/46/31/22/508463122.db2.gz 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ZINC000131624374 508954718 /nfs/dbraw/zinc/95/47/18/508954718.db2.gz LENRNVDDPHXDHC-UHFFFAOYSA-N 0 0 350.422 2.924 20 10 FFCDRN COc1cc(N(C)CC(=O)N([C@H](C)C2CC2)C2CC2)cc(OC)c1OC ZINC000125704360 509018974 /nfs/dbraw/zinc/01/89/74/509018974.db2.gz BUAFMPQICQJJFM-CYBMUJFWSA-N 0 0 362.470 2.938 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CCOc1ccc(C(N)=O)cc1 ZINC000120581339 509025612 /nfs/dbraw/zinc/02/56/12/509025612.db2.gz PZJMOKKWMDBGPT-UHFFFAOYSA-N 0 0 356.422 2.699 20 10 FFCDRN Cc1ccc(-c2ncco2)cc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000126766237 509124807 /nfs/dbraw/zinc/12/48/07/509124807.db2.gz HTRFVUGZNJCQMF-UHFFFAOYSA-N 0 0 365.389 2.953 20 10 FFCDRN Cc1cnccc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000121454029 509174684 /nfs/dbraw/zinc/17/46/84/509174684.db2.gz SFQUAOAXDKXULJ-UHFFFAOYSA-N 0 0 354.454 2.920 20 10 FFCDRN CCOc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)ccc1C ZINC000263859493 509191388 /nfs/dbraw/zinc/19/13/88/509191388.db2.gz DUPKRFMWAKZNAY-UHFFFAOYSA-N 0 0 355.438 2.715 20 10 FFCDRN CCn1cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000263870717 509198249 /nfs/dbraw/zinc/19/82/49/509198249.db2.gz FQQFDGFTUKYLKB-UHFFFAOYSA-N 0 0 350.488 2.568 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC(c4ncc[nH]4)CC3)ccc21 ZINC000263877686 509203029 /nfs/dbraw/zinc/20/30/29/509203029.db2.gz ZODWGDLKYHMWCI-UHFFFAOYSA-N 0 0 353.470 2.881 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](Cn3ccnn3)C2)cc1 ZINC000178984392 509213130 /nfs/dbraw/zinc/21/31/30/509213130.db2.gz BXORCMUUPQPGKZ-SFHVURJKSA-N 0 0 370.501 2.746 20 10 FFCDRN COc1cc(N2CCN(C(=O)CC(C)(C)C)CC2)cc(OC)c1OC ZINC000185511627 509215040 /nfs/dbraw/zinc/21/50/40/509215040.db2.gz XVXVOJKMZCMNRE-UHFFFAOYSA-N 0 0 350.459 2.797 20 10 FFCDRN COc1cccc(CNC(=O)[C@H](C)CN(C)C(=O)OC(C)(C)C)c1O ZINC000267014134 509308268 /nfs/dbraw/zinc/30/82/68/509308268.db2.gz PFGOGFHGIGEMNS-GFCCVEGCSA-N 0 0 352.431 2.520 20 10 FFCDRN CCCC(=O)N1CCC[C@H](C(=O)N2CCOc3cc(N(C)C)ccc32)C1 ZINC000173186461 509443502 /nfs/dbraw/zinc/44/35/02/509443502.db2.gz 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ZINC000264490249 509558686 /nfs/dbraw/zinc/55/86/86/509558686.db2.gz AXCPEFKTOZZYBB-HNNXBMFYSA-N 0 0 359.392 2.645 20 10 FFCDRN Cc1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1C(N)=O ZINC000183072059 509578497 /nfs/dbraw/zinc/57/84/97/509578497.db2.gz FTPSVFGVVFOKRA-UHFFFAOYSA-N 0 0 354.410 2.591 20 10 FFCDRN COc1ccccc1[C@@H](CNC(=O)Cc1ccc(N)cc1)[NH+]1CCCC1 ZINC000237199706 509591923 /nfs/dbraw/zinc/59/19/23/509591923.db2.gz MCQGNQQBWQKYPJ-LJQANCHMSA-N 0 0 353.466 2.773 20 10 FFCDRN O=C(CCOC1CCOCC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000267738787 509597476 /nfs/dbraw/zinc/59/74/76/509597476.db2.gz JGYOTFGEBYLBRZ-UHFFFAOYSA-N 0 0 366.421 2.921 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCCN2C(=O)c2ccccc2)cc1 ZINC000192741435 509624185 /nfs/dbraw/zinc/62/41/85/509624185.db2.gz JFUVDDZMIVBEEJ-LJQANCHMSA-N 0 0 351.450 2.674 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H]2CCN(c3cccc(Cl)c3)C2=O)c1 ZINC000173581750 509658946 /nfs/dbraw/zinc/65/89/46/509658946.db2.gz IISNSECUGRBXLP-MRXNPFEDSA-N 0 0 374.824 2.724 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000186417663 509698750 /nfs/dbraw/zinc/69/87/50/509698750.db2.gz PIHSKHMSYOBRBD-JTQLQIEISA-N 0 0 357.332 2.608 20 10 FFCDRN Cc1cc(C)cc(N2CC[C@H](C(=O)NCCc3ccc(N)cc3)C2=O)c1 ZINC000237643998 509699304 /nfs/dbraw/zinc/69/93/04/509699304.db2.gz ZXZLJXUQVKXMSZ-LJQANCHMSA-N 0 0 351.450 2.597 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)NC(=O)C1CCCCC1 ZINC000186421894 509699911 /nfs/dbraw/zinc/69/99/11/509699911.db2.gz NTSHXFKVKSQRMG-KGLIPLIRSA-N 0 0 362.470 2.620 20 10 FFCDRN CC(C)(C)[S@](=O)CCNC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000176853635 509726814 /nfs/dbraw/zinc/72/68/14/509726814.db2.gz UVPHKIVHHCCHCG-XMMPIXPASA-N 0 0 352.500 2.617 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cn2)cc1 ZINC000193039257 509749561 /nfs/dbraw/zinc/74/95/61/509749561.db2.gz FLTIQABHASMRMM-UHFFFAOYSA-N 0 0 360.845 2.836 20 10 FFCDRN COc1ccc(N(C)C[C@@H](O)COc2c(OC)cccc2OC)cc1F ZINC000268124051 509769553 /nfs/dbraw/zinc/76/95/53/509769553.db2.gz 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FC(F)c1nnc2ccc(NCc3ccc(N4CCOCC4)cc3)nn21 ZINC000268440509 509930868 /nfs/dbraw/zinc/93/08/68/509930868.db2.gz GVSXIQCUTSXTMY-UHFFFAOYSA-N 0 0 360.368 2.511 20 10 FFCDRN CCCNC(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000268476241 509956030 /nfs/dbraw/zinc/95/60/30/509956030.db2.gz CMUQUFYKMPWCIT-UHFFFAOYSA-N 0 0 357.410 2.602 20 10 FFCDRN O=C(c1cccc(O)c1O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000186967938 509979836 /nfs/dbraw/zinc/97/98/36/509979836.db2.gz ZGTVVXCPPMDODD-UHFFFAOYSA-N 0 0 368.220 2.762 20 10 FFCDRN Cc1cc(CS(=O)(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)no1 ZINC000265334345 509997433 /nfs/dbraw/zinc/99/74/33/509997433.db2.gz NKJOYZTWWGBEFR-UHFFFAOYSA-N 0 0 351.472 2.789 20 10 FFCDRN COc1ccc(N2CCN(C(=O)/C=C/c3ncccc3C)CC2)cc1F ZINC000183876377 510017647 /nfs/dbraw/zinc/01/76/47/510017647.db2.gz WNJYNFZBRBJOMS-SOFGYWHQSA-N 0 0 355.413 2.900 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000268593888 510026107 /nfs/dbraw/zinc/02/61/07/510026107.db2.gz OYGHTQLLJVNGMW-UHFFFAOYSA-N 0 0 355.394 2.737 20 10 FFCDRN COC(=O)N(C)Cc1ccc(NC(=O)NCc2cccc(OC)c2O)cc1 ZINC000265402557 510034289 /nfs/dbraw/zinc/03/42/89/510034289.db2.gz WGTAITXJJNMDLF-UHFFFAOYSA-N 0 0 373.409 2.921 20 10 FFCDRN CCc1n[nH]c(=O)c(C(=O)NCc2ccc(N(CC)CC)cc2)c1CC ZINC000177403790 510039640 /nfs/dbraw/zinc/03/96/40/510039640.db2.gz QIDMSKQACJEPQA-UHFFFAOYSA-N 0 0 356.470 2.671 20 10 FFCDRN CCN(C[C@@H](O)C(F)(F)F)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000190284327 510042924 /nfs/dbraw/zinc/04/29/24/510042924.db2.gz BPZDBPNJOXJVBA-OAHLLOKOSA-N 0 0 359.392 2.742 20 10 FFCDRN CCCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180704902 510062728 /nfs/dbraw/zinc/06/27/28/510062728.db2.gz GGCSYLOJXDJULK-HWHJAYSBSA-N 0 0 360.454 2.654 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000184056225 510109414 /nfs/dbraw/zinc/10/94/14/510109414.db2.gz IQRVBGOITQKDLU-FNORWQNLSA-N 0 0 371.408 2.846 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(C)(C)NC(=O)Nc2ccccc2)cc1 ZINC000174439977 510116472 /nfs/dbraw/zinc/11/64/72/510116472.db2.gz RIXIDQGCRFBVSG-UHFFFAOYSA-N 0 0 354.454 2.969 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN(C)Cc2ccc(Cl)nc2)cc1 ZINC000177625360 510167246 /nfs/dbraw/zinc/16/72/46/510167246.db2.gz UAMOAOUGLUGJKP-UHFFFAOYSA-N 0 0 360.889 2.891 20 10 FFCDRN Nc1ccc(CC(=O)NC2CCN(C(=O)CCc3ccccc3)CC2)cc1 ZINC000262119575 510184454 /nfs/dbraw/zinc/18/44/54/510184454.db2.gz IKTFZXHHSXVSEK-UHFFFAOYSA-N 0 0 365.477 2.551 20 10 FFCDRN Fc1cc(CNc2ncncc2Br)ccc1N1CCOCC1 ZINC000269021851 510197286 /nfs/dbraw/zinc/19/72/86/510197286.db2.gz PUODCXYCTRDJKV-UHFFFAOYSA-N 0 0 367.222 2.827 20 10 FFCDRN O=C(NCc1ccccc1O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 ZINC000269153071 510260100 /nfs/dbraw/zinc/26/01/00/510260100.db2.gz QQCZJWWZJCOWBB-INIZCTEOSA-N 0 0 353.422 2.953 20 10 FFCDRN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccccc1O ZINC000269161035 510263710 /nfs/dbraw/zinc/26/37/10/510263710.db2.gz UZAPDTFPTZKBKW-QGZVFWFLSA-N 0 0 372.490 2.869 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000269202478 510288037 /nfs/dbraw/zinc/28/80/37/510288037.db2.gz MEYSFUIPTDQINL-UHFFFAOYSA-N 0 0 357.366 2.553 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(c2ncccc2Cl)C1 ZINC000181188070 510295595 /nfs/dbraw/zinc/29/55/95/510295595.db2.gz SUBPBVXSEZITBB-DIECRNLCSA-N 0 0 359.813 2.555 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)NCCCN3CCOC3=O)cc2)CC1 ZINC000171763206 510355635 /nfs/dbraw/zinc/35/56/35/510355635.db2.gz CBKVWYCERFLALZ-UHFFFAOYSA-N 0 0 374.485 2.564 20 10 FFCDRN CNC(=O)CN(C)C(=O)c1ccccc1/N=N/c1ccc(N(C)C)cc1 ZINC000269436982 510406824 /nfs/dbraw/zinc/40/68/24/510406824.db2.gz ILBHNLQYENAKHN-QURGRASLSA-N 0 0 353.426 2.986 20 10 FFCDRN CCC(=O)N1CC[C@H](C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000269458086 510416905 /nfs/dbraw/zinc/41/69/05/510416905.db2.gz WCHZEVYEPQSCKZ-AWEZNQCLSA-N 0 0 363.421 2.593 20 10 FFCDRN Cc1c(-c2cc(CN3CCOc4cc(N(C)C)ccc43)on2)cnn1C ZINC000184700456 510470591 /nfs/dbraw/zinc/47/05/91/510470591.db2.gz ANFRXBSRJBQZFP-UHFFFAOYSA-N 0 0 353.426 2.849 20 10 FFCDRN O=S(=O)(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1CCCCC1 ZINC000266225436 510471559 /nfs/dbraw/zinc/47/15/59/510471559.db2.gz XKFNWUNYDXJGRY-UHFFFAOYSA-N 0 0 370.490 2.539 20 10 FFCDRN COC(=O)CC1(CC(=O)N2CCOc3cc(N(C)C)ccc32)CCCC1 ZINC000187972296 510528171 /nfs/dbraw/zinc/52/81/71/510528171.db2.gz VAKLYOQSXLXHOX-UHFFFAOYSA-N 0 0 360.454 2.992 20 10 FFCDRN Cc1[nH]nc2nc(C)cc(C(=O)N3CCOc4cc(N(C)C)ccc43)c12 ZINC000266352546 510535598 /nfs/dbraw/zinc/53/55/98/510535598.db2.gz PNYXHKUCXQOAIP-UHFFFAOYSA-N 0 0 351.410 2.680 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)/C(C)=C/C(C)(C)C)cc2)CC1 ZINC000188121102 510605063 /nfs/dbraw/zinc/60/50/63/510605063.db2.gz UBNFOUUMCVOHRR-JQIJEIRASA-N 0 0 357.498 2.964 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@H](C4(C)OCCO4)C3)ccc21 ZINC000184984874 510616360 /nfs/dbraw/zinc/61/63/60/510616360.db2.gz CGYSNVBBHCVLQX-SFHVURJKSA-N 0 0 373.497 2.754 20 10 FFCDRN Cn1ccnc1[C@H](O)C1CC[NH+](Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000191370207 510626394 /nfs/dbraw/zinc/62/63/94/510626394.db2.gz GRDOXEKCBBVYAD-MRXNPFEDSA-N 0 0 353.825 2.864 20 10 FFCDRN Cc1ccc(C(=O)N2CCCN(C(=O)c3ccc(F)cc3)CC2)c(O)c1O ZINC000181851751 510626395 /nfs/dbraw/zinc/62/63/95/510626395.db2.gz CESTWOFQIYCSLV-UHFFFAOYSA-N 0 0 372.396 2.534 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)CCn1ccnc1 ZINC000266511876 510631372 /nfs/dbraw/zinc/63/13/72/510631372.db2.gz HZRBPCUBOKWSIF-UHFFFAOYSA-N 0 0 352.232 2.790 20 10 FFCDRN COc1cc(CN(C)CC(=O)N(C)Cc2ccc(N(C)C)cc2)ccc1O ZINC000175625054 510698417 /nfs/dbraw/zinc/69/84/17/510698417.db2.gz QGAJHUQQYVBHIM-UHFFFAOYSA-N 0 0 371.481 2.557 20 10 FFCDRN COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000246850409 510709539 /nfs/dbraw/zinc/70/95/39/510709539.db2.gz DXTCPCJIICABKR-IAGOWNOFSA-N 0 0 374.481 2.713 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(OC(C)(C)C)cc2)c1O ZINC000266709254 510740593 /nfs/dbraw/zinc/74/05/93/510740593.db2.gz XXRVWIJOOIIWMF-UHFFFAOYSA-N 0 0 372.421 2.833 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCCCc1ccccn1 ZINC000178828283 510792569 /nfs/dbraw/zinc/79/25/69/510792569.db2.gz JBLUEQGYKPFUMT-DHZHZOJOSA-N 0 0 351.450 2.680 20 10 FFCDRN Nc1ccc(CNC(=O)[C@@H]2CCCN2c2ncnc3sccc32)cc1 ZINC000297270233 510880652 /nfs/dbraw/zinc/88/06/52/510880652.db2.gz SKUFLXBAYXANMD-HNNXBMFYSA-N 0 0 353.451 2.559 20 10 FFCDRN Nc1ccc(CNC(=O)[C@H]2CCCN2c2ncnc3sccc32)cc1 ZINC000297270240 510880821 /nfs/dbraw/zinc/88/08/21/510880821.db2.gz SKUFLXBAYXANMD-OAHLLOKOSA-N 0 0 353.451 2.559 20 10 FFCDRN CC[C@H]([NH2+]Cc1ccc(N(C)C)c(C)c1)c1cccc(S(N)(=O)=O)c1 ZINC000293868839 510881336 /nfs/dbraw/zinc/88/13/36/510881336.db2.gz SMOZRUMWKZEEDR-SFHVURJKSA-N 0 0 361.511 2.949 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2C)cc1 ZINC000275367779 510886875 /nfs/dbraw/zinc/88/68/75/510886875.db2.gz MUUHYWPJJIJHRH-ICSRJNTNSA-N 0 0 370.497 2.969 20 10 FFCDRN CSc1nnc(CNC(=O)NCc2c(O)ccc3c2CCCC3)s1 ZINC000275407594 510899933 /nfs/dbraw/zinc/89/99/33/510899933.db2.gz JZOVYVXUUMXFFO-UHFFFAOYSA-N 0 0 364.496 2.844 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@H]2CCO[C@@H]2c2cnn(C)c2)cc1F ZINC000275520007 510903084 /nfs/dbraw/zinc/90/30/84/510903084.db2.gz MACDFNAZDLWJID-QFBILLFUSA-N 0 0 374.460 2.799 20 10 FFCDRN CCCN(CCC)C(=O)CCCC(=O)NCCc1ccc(O)c(O)c1 ZINC000270568911 510909488 /nfs/dbraw/zinc/90/94/88/510909488.db2.gz YJFNTGSDQCSXCV-UHFFFAOYSA-N 0 0 350.459 2.575 20 10 FFCDRN Cc1cc(C(=O)N2CCC(CS(C)(=O)=O)CC2)c(C)n1-c1ccccc1 ZINC000294011960 510928581 /nfs/dbraw/zinc/92/85/81/510928581.db2.gz YFTPBTDKEKRNNR-UHFFFAOYSA-N 0 0 374.506 2.991 20 10 FFCDRN CSc1cccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1C ZINC000276235351 510930030 /nfs/dbraw/zinc/93/00/30/510930030.db2.gz XYEXPTLCCRVSRZ-NSHDSACASA-N 0 0 374.462 2.814 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)c2ccccc21 ZINC000276448176 510939230 /nfs/dbraw/zinc/93/92/30/510939230.db2.gz LNADAUFXTBRKHA-IBGZPJMESA-N 0 0 350.418 2.510 20 10 FFCDRN CCS(=O)(=O)CCCCCN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000276511958 510940063 /nfs/dbraw/zinc/94/00/63/510940063.db2.gz VBLBFGKBNSXOQJ-UHFFFAOYSA-N 0 0 359.488 2.754 20 10 FFCDRN CC(=O)N[C@@H]1Cc2ccccc2N(C(=O)/C=C/c2ccc(Cl)nc2)C1 ZINC000360737306 510942901 /nfs/dbraw/zinc/94/29/01/510942901.db2.gz XJFMBPOSKNNLBI-MNDMWVCDSA-N 0 0 355.825 2.842 20 10 FFCDRN CC(C)COCCCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277422197 510961934 /nfs/dbraw/zinc/96/19/34/510961934.db2.gz PFGXOBCVMQDRLY-UHFFFAOYSA-N 0 0 354.834 2.873 20 10 FFCDRN C[C@H](C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)N(C)CC(F)(F)F ZINC000278368422 510991157 /nfs/dbraw/zinc/99/11/57/510991157.db2.gz MDQBJNCTHLCEGY-HIFRSBDPSA-N 0 0 374.403 2.782 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@](C)(O)c2cc(C)oc2C)ccc1[N+](=O)[O-] ZINC000278494628 510995304 /nfs/dbraw/zinc/99/53/04/510995304.db2.gz MBSMOAQQYUXUDV-QGZVFWFLSA-N 0 0 350.371 2.516 20 10 FFCDRN C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000278733142 511004129 /nfs/dbraw/zinc/00/41/29/511004129.db2.gz MXEIRZNMTTYGMR-HZMBPMFUSA-N 0 0 360.285 2.689 20 10 FFCDRN COCCOc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278844682 511009048 /nfs/dbraw/zinc/00/90/48/511009048.db2.gz KJBYTSXZEMQQEM-UHFFFAOYSA-N 0 0 362.382 2.624 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2ccc3c(c2)CCCN3C)ccc1[N+](=O)[O-] ZINC000278880352 511011719 /nfs/dbraw/zinc/01/17/19/511011719.db2.gz NYVIWUROGOVXIM-UHFFFAOYSA-N 0 0 357.410 2.981 20 10 FFCDRN COc1c(O)c(CN(C)Cc2cn(C)nc2C(F)(F)F)ccc1[N+](=O)[O-] ZINC000278917847 511014695 /nfs/dbraw/zinc/01/46/95/511014695.db2.gz ULQOFPGHASEHTJ-UHFFFAOYSA-N 0 0 374.319 2.693 20 10 FFCDRN COc1cccc(CNS(=O)(=O)CCc2cccc(Cl)c2)c1O ZINC000286010923 511018035 /nfs/dbraw/zinc/01/80/35/511018035.db2.gz OLRKNJWYUVQFKC-UHFFFAOYSA-N 0 0 355.843 2.716 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)CS(=O)(=O)C1CCCC1 ZINC000282589475 511036605 /nfs/dbraw/zinc/03/66/05/511036605.db2.gz WWKYDBLSVSGDBL-UHFFFAOYSA-N 0 0 353.484 2.878 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)[C@@H]1CCCCO1 ZINC000287796884 511057864 /nfs/dbraw/zinc/05/78/64/511057864.db2.gz OGXKMVCLBYOEBL-YJBOKZPZSA-N 0 0 362.470 2.595 20 10 FFCDRN CO[C@@H]1[C@H]2C[C@H]3CN(C(=O)NCc4ccc(N5CCCC5)cc4)[C@H]1[C@H]3C2 ZINC000287801586 511058403 /nfs/dbraw/zinc/05/84/03/511058403.db2.gz ZWFQQXRASDEKGC-CZKCSJLSSA-N 0 0 355.482 2.852 20 10 FFCDRN CNC(=O)c1ccc(CN(C)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 ZINC000271025553 511060670 /nfs/dbraw/zinc/06/06/70/511060670.db2.gz KBQWUNOWBDCDRI-UHFFFAOYSA-N 0 0 359.382 2.608 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000288137700 511065609 /nfs/dbraw/zinc/06/56/09/511065609.db2.gz FKVXUTLYMHFLBO-QGZVFWFLSA-N 0 0 374.481 2.739 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)C3CCC(O)CC3)cc2F)C[C@H](C)O1 ZINC000279395608 511068778 /nfs/dbraw/zinc/06/87/78/511068778.db2.gz AVOJCOJDUKJJFG-CBHXASLJSA-N 0 0 364.461 2.607 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N(C)CCC(N)=O)cc2Cl)C1 ZINC000288368779 511072993 /nfs/dbraw/zinc/07/29/93/511072993.db2.gz DWJUBIYKJURFCU-CYBMUJFWSA-N 0 0 366.893 2.593 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCc1cc(C)cc(OC)c1 ZINC000288498147 511077201 /nfs/dbraw/zinc/07/72/01/511077201.db2.gz URTDZNPZKQVFQP-UHFFFAOYSA-N 0 0 370.449 2.764 20 10 FFCDRN CC(C)n1cc(CNCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)nn1 ZINC000289926469 511119979 /nfs/dbraw/zinc/11/99/79/511119979.db2.gz ZUMJWWHMMBKPBR-GASCZTMLSA-N 0 0 361.465 2.902 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2ccnc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000290185650 511129164 /nfs/dbraw/zinc/12/91/64/511129164.db2.gz OELDKLKJWZTONU-UHFFFAOYSA-N 0 0 358.398 2.594 20 10 FFCDRN Cc1cnn([C@@H]2CCN(C(=O)/C=C/c3ccc(N4CCOCC4)cc3)C2)c1 ZINC000290693434 511148637 /nfs/dbraw/zinc/14/86/37/511148637.db2.gz LAPLODNNJDNYKT-WWPOYFSUSA-N 0 0 366.465 2.515 20 10 FFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cc(O)ccc3Cl)c2)CC1 ZINC000290771109 511150735 /nfs/dbraw/zinc/15/07/35/511150735.db2.gz PTQSGQHZTSHDGB-UHFFFAOYSA-N 0 0 373.840 2.966 20 10 FFCDRN C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(N2CCCNC2=O)cc1 ZINC000291060757 511158235 /nfs/dbraw/zinc/15/82/35/511158235.db2.gz PGMXISNNKLHKKG-LBPRGKRZSA-N 0 0 355.394 2.509 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN[C@H](c2nccs2)C(F)(F)F)cc1 ZINC000298081257 511168986 /nfs/dbraw/zinc/16/89/86/511168986.db2.gz HPXSUDUUCBMPHT-CQSZACIVSA-N 0 0 372.416 2.719 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F ZINC000298086634 511171279 /nfs/dbraw/zinc/17/12/79/511171279.db2.gz KLMBLAYMFSVKOI-ZDUSSCGKSA-N 0 0 360.376 2.834 20 10 FFCDRN CCOC(=O)c1cnn(C2CC[NH+](Cc3cccc(OC)c3O)CC2)c1 ZINC000294834485 511193184 /nfs/dbraw/zinc/19/31/84/511193184.db2.gz QGSOHPLITAPWDU-UHFFFAOYSA-N 0 0 359.426 2.611 20 10 FFCDRN CCOC(=O)c1csc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1 ZINC000294879595 511208495 /nfs/dbraw/zinc/20/84/95/511208495.db2.gz DJPIJXJWUOFNCU-UHFFFAOYSA-N 0 0 365.430 2.794 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000283133106 511248879 /nfs/dbraw/zinc/24/88/79/511248879.db2.gz GTJVMVDCBPJSEX-GDZNZVCISA-N 0 0 350.415 2.519 20 10 FFCDRN CC(C)[C@H]1C[C@@H](NC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000271592182 511257065 /nfs/dbraw/zinc/25/70/65/511257065.db2.gz XCMXBPLNPYFSOH-PKOBYXMFSA-N 0 0 361.486 2.526 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H](C)c1cccnc1 ZINC000283168939 511262715 /nfs/dbraw/zinc/26/27/15/511262715.db2.gz QPDFZBLLLGCFHK-HNNXBMFYSA-N 0 0 355.438 2.793 20 10 FFCDRN CO[C@@H]1CCCC[C@H]1C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000295073172 511272101 /nfs/dbraw/zinc/27/21/01/511272101.db2.gz SGQOGBOATRPSNP-WOJBJXKFSA-N 0 0 360.498 2.717 20 10 FFCDRN CC(=O)N1CCC[C@H](CNC(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)C1 ZINC000279956362 511280596 /nfs/dbraw/zinc/28/05/96/511280596.db2.gz ZYYLPDRFMDTWQI-GOSISDBHSA-N 0 0 372.513 2.685 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)NCc1ccco1 ZINC000283234128 511288558 /nfs/dbraw/zinc/28/85/58/511288558.db2.gz VUPUKQNSJXIKKJ-UHFFFAOYSA-N 0 0 355.438 2.545 20 10 FFCDRN COc1cc(Cl)cc(CN[C@@H](c2nccn2C)C(C)(C)CO)c1O ZINC000295141737 511296866 /nfs/dbraw/zinc/29/68/66/511296866.db2.gz ZUWHQKUMVSXVKT-HNNXBMFYSA-N 0 0 353.850 2.637 20 10 FFCDRN CO[C@]1(C)CCCN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC1 ZINC000280079499 511328252 /nfs/dbraw/zinc/32/82/52/511328252.db2.gz YFNVQJMVQWCENR-HXUWFJFHSA-N 0 0 361.486 2.624 20 10 FFCDRN Cc1cc(NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)n2ncnc2n1 ZINC000298686339 511374776 /nfs/dbraw/zinc/37/47/76/511374776.db2.gz BCENPEGWQGEJPP-ZIAGYGMSSA-N 0 0 370.432 2.798 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](CO)[C@H]2CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000280204150 511374766 /nfs/dbraw/zinc/37/47/66/511374766.db2.gz ALQQDPMNDJFMPC-JKSUJKDBSA-N 0 0 360.429 2.608 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2ccccn2)n1C[C@@H]1CCOC1 ZINC000291878969 511374960 /nfs/dbraw/zinc/37/49/60/511374960.db2.gz QEQSGNGHJBRFSQ-HNNXBMFYSA-N 0 0 365.437 2.719 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCCS(=O)(=O)C(C)C ZINC000291889405 511378480 /nfs/dbraw/zinc/37/84/80/511378480.db2.gz RASCAYOEXQNFAB-UHFFFAOYSA-N 0 0 356.488 2.527 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cccc(N3CCC3=O)c2)cc1F ZINC000280219157 511380557 /nfs/dbraw/zinc/38/05/57/511380557.db2.gz QTACZVLTRPRMAS-UHFFFAOYSA-N 0 0 356.401 2.950 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000283725200 511475855 /nfs/dbraw/zinc/47/58/55/511475855.db2.gz VPLKTFBGEARHSC-OAHLLOKOSA-N 0 0 359.470 2.715 20 10 FFCDRN COc1cccc(N2CC[C@@H](NC(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000272431054 511493366 /nfs/dbraw/zinc/49/33/66/511493366.db2.gz LFXIYGYUAFHFMA-PMGBHYCQSA-N 0 0 354.406 2.515 20 10 FFCDRN COC1(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)CCC1 ZINC000272803371 511508370 /nfs/dbraw/zinc/50/83/70/511508370.db2.gz URTCTJSKJOMLQT-KBPBESRZSA-N 0 0 350.434 2.625 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2cnn(C)c2)n1C ZINC000283829415 511514512 /nfs/dbraw/zinc/51/45/12/511514512.db2.gz RDTPGLXUGLMFPO-UHFFFAOYSA-N 0 0 365.485 2.842 20 10 FFCDRN C[C@H]1C[C@@H](CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000273148366 511519364 /nfs/dbraw/zinc/51/93/64/511519364.db2.gz LLLNFIMXBFNDMS-IRXDYDNUSA-N 0 0 361.486 2.528 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCc2c(nc[nH]c2=O)C1 ZINC000273213735 511520722 /nfs/dbraw/zinc/52/07/22/511520722.db2.gz KCVPZYKPPMYPQO-UHFFFAOYSA-N 0 0 354.435 2.850 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)c2cccs2)c1 ZINC000273349421 511523373 /nfs/dbraw/zinc/52/33/73/511523373.db2.gz BISZDKFWHNTEHE-GFCCVEGCSA-N 0 0 362.451 2.711 20 10 FFCDRN C[C@@]1(NC(=O)/C=C/c2ccc(N3CCOCC3)cc2)CCO[C@H]1C1CC1 ZINC000273351658 511523677 /nfs/dbraw/zinc/52/36/77/511523677.db2.gz RYSUSDYRBXQREM-BFOOFZPUSA-N 0 0 356.466 2.610 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)c1ccc(F)cc1[O-] ZINC000273427544 511525998 /nfs/dbraw/zinc/52/59/98/511525998.db2.gz UQCNGAILAYOIIX-CQSZACIVSA-N 0 0 358.413 2.855 20 10 FFCDRN COc1ccc(CNC(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)c(O)c1 ZINC000365558907 511528403 /nfs/dbraw/zinc/52/84/03/511528403.db2.gz GHTJWHQSDWDKMN-AWEZNQCLSA-N 0 0 373.428 2.866 20 10 FFCDRN COc1ccc(N2CC[NH+](CCCN[C@@H]3C[C@H](C)n4ccnc43)CC2)cc1 ZINC000295847719 511534190 /nfs/dbraw/zinc/53/41/90/511534190.db2.gz FXZANWSCZGQLEJ-FXAWDEMLSA-N 0 0 369.513 2.699 20 10 FFCDRN CCC(=O)CCCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000295850759 511535345 /nfs/dbraw/zinc/53/53/45/511535345.db2.gz XMJIRERUULBHQN-UHFFFAOYSA-N 0 0 350.459 2.594 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000273604137 511548892 /nfs/dbraw/zinc/54/88/92/511548892.db2.gz SSVJKAPHWWZBTA-NSHDSACASA-N 0 0 360.376 2.856 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@H]2CCCO2)n1C[C@@H]1CCOC1 ZINC000295930721 511559226 /nfs/dbraw/zinc/55/92/26/511559226.db2.gz IOLNAHTWFGDNEY-WMLDXEAASA-N 0 0 358.442 2.508 20 10 FFCDRN C[C@H]1CN(C(=O)c2c(F)ccc(O)c2O)CC[C@H]1NC(=O)OC(C)(C)C ZINC000295935000 511560130 /nfs/dbraw/zinc/56/01/30/511560130.db2.gz SQKOGXHRKHABFT-CMPLNLGQSA-N 0 0 368.405 2.612 20 10 FFCDRN C[C@@H]1CN(c2ccc(NC(=O)NCc3ccccc3O)cn2)C[C@H](C)O1 ZINC000299467983 511647605 /nfs/dbraw/zinc/64/76/05/511647605.db2.gz CBAKAHQSABJREA-OKILXGFUSA-N 0 0 356.426 2.723 20 10 FFCDRN C[C@@H]1CN(c2ccc(NC(=O)/C=C/c3ccc(O)c(O)c3)cc2)CCO1 ZINC000292613514 511661043 /nfs/dbraw/zinc/66/10/43/511661043.db2.gz IRTNJUJOMLZNKM-WVRVXFOWSA-N 0 0 354.406 2.975 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])[nH]2)cc1 ZINC000299658454 511666017 /nfs/dbraw/zinc/66/60/17/511666017.db2.gz MMOSPXNIIYSUKA-MRXNPFEDSA-N 0 0 372.425 2.810 20 10 FFCDRN CN(C)c1ccc(CNc2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)cc1F ZINC000301690794 511699358 /nfs/dbraw/zinc/69/93/58/511699358.db2.gz NMMJHYHBRSNJMP-UHFFFAOYSA-N 0 0 360.345 2.743 20 10 FFCDRN COC(=O)c1ccc(N(C)Cc2ccc(N3CCOCC3)cc2)nc1C ZINC000301933626 511702856 /nfs/dbraw/zinc/70/28/56/511702856.db2.gz PYECSAVCNPPEEI-UHFFFAOYSA-N 0 0 355.438 2.650 20 10 FFCDRN C[C@@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccc(N2CCOCC2)cc1 ZINC000302008773 511703916 /nfs/dbraw/zinc/70/39/16/511703916.db2.gz VJLKHHYJKGUHFK-CYBMUJFWSA-N 0 0 368.397 2.647 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000281100067 511718811 /nfs/dbraw/zinc/71/88/11/511718811.db2.gz SHUHLJHOVVXBDS-SNVBAGLBSA-N 0 0 373.384 2.874 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2cnnn2Cc2ccccc2)cc1 ZINC000292791419 511720555 /nfs/dbraw/zinc/72/05/55/511720555.db2.gz MLKRXHDKDHCXGO-UHFFFAOYSA-N 0 0 366.421 2.515 20 10 FFCDRN CC(C)(C)OC(=O)Cc1noc(/C=C/c2ccc(N3CCOCC3)cc2)n1 ZINC000274264682 511772773 /nfs/dbraw/zinc/77/27/73/511772773.db2.gz ZGUAULGMIGBCMX-RMKNXTFCSA-N 0 0 371.437 2.961 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1C[C@]2(CCCO2)[C@@H]1C1CC1 ZINC000296555390 511796038 /nfs/dbraw/zinc/79/60/38/511796038.db2.gz WKSDLZPGEBLOKU-PZJWPPBQSA-N 0 0 353.466 2.916 20 10 FFCDRN Cc1c(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cnn1C ZINC000293017798 511809502 /nfs/dbraw/zinc/80/95/02/511809502.db2.gz OLBADMVZOXOHOK-UHFFFAOYSA-N 0 0 362.499 2.540 20 10 FFCDRN CSCC[C@@H](NC(=O)c1cccc(C)c1)C(=O)NCc1ccc(N)cc1 ZINC000296824381 511911369 /nfs/dbraw/zinc/91/13/69/511911369.db2.gz ATDJUFHISJHLES-GOSISDBHSA-N 0 0 371.506 2.745 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1cccc2nonc21 ZINC000296843907 511920274 /nfs/dbraw/zinc/92/02/74/511920274.db2.gz UEOQYWVXPOXXKJ-UHFFFAOYSA-N 0 0 371.372 2.520 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@@H](C)[C@H]2OCCc3sccc32)c1 ZINC000366248634 511922048 /nfs/dbraw/zinc/92/20/48/511922048.db2.gz XUJWKFHWEVLMHI-APPDUMDISA-N 0 0 362.451 2.964 20 10 FFCDRN CCc1nc(C)c(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)o1 ZINC000293400041 511951110 /nfs/dbraw/zinc/95/11/10/511951110.db2.gz KKLMZFZJEVKNQH-UHFFFAOYSA-N 0 0 361.417 2.576 20 10 FFCDRN Cc1cc(C(=O)N2CCc3n[nH]c(=O)cc3C2)c(C)n1-c1cccc(C)c1 ZINC000274849697 511962744 /nfs/dbraw/zinc/96/27/44/511962744.db2.gz HEBTUSVCNGZQRY-UHFFFAOYSA-N 0 0 362.433 2.684 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC[C@H]1CCC(F)(F)C1 ZINC000281900246 512004373 /nfs/dbraw/zinc/00/43/73/512004373.db2.gz FJRXFABGBSHOCJ-AWEZNQCLSA-N 0 0 371.403 2.897 20 10 FFCDRN CC(=O)c1ccc(NC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nc1 ZINC000297104498 512022040 /nfs/dbraw/zinc/02/20/40/512022040.db2.gz GSJQCLKHPSAPJE-UHFFFAOYSA-N 0 0 372.400 2.582 20 10 FFCDRN CC(C)[C@@]1(CO)CCCN(C(=O)NCc2ccc(N(C)C)c(F)c2)C1 ZINC000297121090 512027647 /nfs/dbraw/zinc/02/76/47/512027647.db2.gz HAUDBTGDJJFISR-IBGZPJMESA-N 0 0 351.466 2.832 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N(C)CCNC(=O)OC(C)(C)C)cc1F ZINC000297168750 512046157 /nfs/dbraw/zinc/04/61/57/512046157.db2.gz JUEVPKYMMOIKNU-UHFFFAOYSA-N 0 0 368.453 2.558 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc([C@H]2COCCO2)n1C ZINC000282111236 512077910 /nfs/dbraw/zinc/07/79/10/512077910.db2.gz CYFLXSFZVBWDRW-GOSISDBHSA-N 0 0 371.485 2.530 20 10 FFCDRN CCOC(=O)[C@H](F)C1CN(Cc2cc(Br)cc(C)c2O)C1 ZINC000293793309 512086227 /nfs/dbraw/zinc/08/62/27/512086227.db2.gz CQGWQFNQUUXHAS-CYBMUJFWSA-N 0 0 360.223 2.796 20 10 FFCDRN Oc1c(F)cccc1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000275283660 512096073 /nfs/dbraw/zinc/09/60/73/512096073.db2.gz NKLOPJTUROXTMI-UHFFFAOYSA-N 0 0 362.352 2.724 20 10 FFCDRN CC[C@H]([NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1)c1ccc(F)cc1[O-] ZINC000375787563 512506628 /nfs/dbraw/zinc/50/66/28/512506628.db2.gz HEHLHYOQXFNHDL-YOEHRIQHSA-N 0 0 357.429 2.950 20 10 FFCDRN Cc1ccc(C(=O)N2CCC([C@H]3C(=O)Nc4ccccc43)CC2)c(O)c1O ZINC000371666950 512517969 /nfs/dbraw/zinc/51/79/69/512517969.db2.gz XZXFBSRHVRWFLR-QGZVFWFLSA-N 0 0 366.417 2.994 20 10 FFCDRN CC[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(F)cc1[O-] ZINC000367588181 512573165 /nfs/dbraw/zinc/57/31/65/512573165.db2.gz LDHLHQWIDACULW-INIZCTEOSA-N 0 0 356.463 2.529 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@@]3(CCCOC3)C2)c1O ZINC000367660170 512604068 /nfs/dbraw/zinc/60/40/68/512604068.db2.gz YOVPSLVJHAZKIX-INIZCTEOSA-N 0 0 372.259 2.545 20 10 FFCDRN CN(c1ccc(CNC(=O)N2CC[C@H](CC(N)=O)C2)cc1)C1CCCCC1 ZINC000367875588 512701134 /nfs/dbraw/zinc/70/11/34/512701134.db2.gz CPKDULQGWSZANJ-QGZVFWFLSA-N 0 0 372.513 2.862 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CCC(Cc4cccnc4)CC3)cc2N1 ZINC000374491253 512856978 /nfs/dbraw/zinc/85/69/78/512856978.db2.gz ZAQCCVAZYDEFIO-UHFFFAOYSA-N 0 0 368.393 2.780 20 10 FFCDRN Clc1ccc(C2=CCN(c3ccnc(N4CCOCC4)n3)CC2)cn1 ZINC000370374203 512899428 /nfs/dbraw/zinc/89/94/28/512899428.db2.gz KVZIFVXDSJVFFT-UHFFFAOYSA-N 0 0 357.845 2.655 20 10 FFCDRN Cn1nccc1[C@@H]1CCCN(C(=O)NCc2ccc(N3CC=CC3)cc2)C1 ZINC000374594795 512907609 /nfs/dbraw/zinc/90/76/09/512907609.db2.gz QXCADBBZNGXIOU-GOSISDBHSA-N 0 0 365.481 2.886 20 10 FFCDRN C[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)c1cc(F)ccc1O ZINC000368627741 513033812 /nfs/dbraw/zinc/03/38/12/513033812.db2.gz XYTCAKIVCHDQQI-ZDUSSCGKSA-N 0 0 363.433 2.827 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cccnc1N1CCOCC1 ZINC000471222066 514805145 /nfs/dbraw/zinc/80/51/45/514805145.db2.gz ZVRVVVUXJISMMR-UHFFFAOYSA-N 0 0 364.449 2.648 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCNC(=O)c1cccs1 ZINC000471227855 514806761 /nfs/dbraw/zinc/80/67/61/514806761.db2.gz SXNHFENUSFYRNU-UHFFFAOYSA-N 0 0 355.463 2.985 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NCCCOC[C@H]1CCOC1 ZINC000472228567 515176797 /nfs/dbraw/zinc/17/67/97/515176797.db2.gz FDWKEZRTCGOPPH-MRXNPFEDSA-N 0 0 359.470 2.729 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3c[nH]nc3C(=O)OC)ccc21 ZINC000477173709 515356233 /nfs/dbraw/zinc/35/62/33/515356233.db2.gz GMSXWIPTOAGSKY-UHFFFAOYSA-N 0 0 370.409 2.667 20 10 FFCDRN Cn1nc([C@H]2CCCOC2)cc1NC(=O)c1ccc(C2=S=CC=C2)o1 ZINC000468629063 515444761 /nfs/dbraw/zinc/44/47/61/515444761.db2.gz LKNLZSWIHDJALQ-LBPRGKRZSA-N 0 0 357.435 2.785 20 10 FFCDRN Cc1ccc([C@H](C)[C@@H](O)C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000494582085 515888329 /nfs/dbraw/zinc/88/83/29/515888329.db2.gz AEVJBIGBTREJAU-MGPUTAFESA-N 0 0 354.450 2.951 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000469934273 516037760 /nfs/dbraw/zinc/03/77/60/516037760.db2.gz GQXRMXMDJSLTGV-UHFFFAOYSA-N 0 0 365.359 2.989 20 10 FFCDRN CCCNC(=O)CN(CCC)C(=O)NCc1c(C)c2ccccc2n1C ZINC000474909414 516231726 /nfs/dbraw/zinc/23/17/26/516231726.db2.gz ABSLODNFDKQLSK-UHFFFAOYSA-N 0 0 358.486 2.935 20 10 FFCDRN COc1ccc(CNC(=O)NCc2c(C)c3ccccc3n2C)c(OC)n1 ZINC000555161672 516811271 /nfs/dbraw/zinc/81/12/71/516811271.db2.gz RZSHPMNUWOYJOL-UHFFFAOYSA-N 0 0 368.437 2.898 20 10 FFCDRN Cc1cc(-c2nc(-c3ccon3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000545080136 517043078 /nfs/dbraw/zinc/04/30/78/517043078.db2.gz QOBBCHYGDIOEOP-UHFFFAOYSA-N 0 0 352.375 2.916 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000525731168 517140622 /nfs/dbraw/zinc/14/06/22/517140622.db2.gz XBTVABMFWVHYCZ-OAHLLOKOSA-N 0 0 365.433 2.531 20 10 FFCDRN COc1cc(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c(O)c(C(C)(C)C)c1 ZINC000529671667 517275602 /nfs/dbraw/zinc/27/56/02/517275602.db2.gz FJFVJRSKCMLXOC-CVEARBPZSA-N 0 0 367.511 2.850 20 10 FFCDRN COC(=O)c1ccc(NC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000541994717 517329040 /nfs/dbraw/zinc/32/90/40/517329040.db2.gz WPCYJPNXVHEAOA-UHFFFAOYSA-N 0 0 355.394 2.970 20 10 FFCDRN COc1ccc([C@H](C)N2C(=O)CN(Cc3ccccc3O)C2=O)c(OC)c1 ZINC000530200833 517624354 /nfs/dbraw/zinc/62/43/54/517624354.db2.gz CFSOHHZEUJQAKV-ZDUSSCGKSA-N 0 0 370.405 2.935 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)Cc1cccc(F)c1 ZINC000564002153 518266031 /nfs/dbraw/zinc/26/60/31/518266031.db2.gz CVZFPAYFMROJKI-UHFFFAOYSA-N 0 0 367.424 2.901 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N(C)[C@@H](C)c1ccncc1 ZINC000572674424 518306258 /nfs/dbraw/zinc/30/62/58/518306258.db2.gz KHRFPZQCURULRP-HNNXBMFYSA-N 0 0 364.449 2.718 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](C)[C@@H](CO)C3)ccc21 ZINC000622227267 523340733 /nfs/dbraw/zinc/34/07/33/523340733.db2.gz IEYPXSSVRHVLJD-KBXCAEBGSA-N 0 0 358.482 2.995 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3nn(C)c4ccccc43)CC2)cc1 ZINC000072331334 536691206 /nfs/dbraw/zinc/69/12/06/536691206.db2.gz IZDZEZNMMFKJNM-UHFFFAOYSA-N 0 0 350.422 2.544 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000738103270 598914649 /nfs/dbraw/zinc/91/46/49/598914649.db2.gz GWSMZGRBXIHNEJ-UHFFFAOYSA-N 0 0 361.409 2.565 20 10 FFCDRN O=C([O-])c1cccc(C[NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000821552585 598203055 /nfs/dbraw/zinc/20/30/55/598203055.db2.gz MHDQUYVYTSYJHJ-UHFFFAOYSA-N 0 0 354.450 2.883 20 10 FFCDRN C[NH+](C)CCN(Cc1ccco1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000830608774 601860243 /nfs/dbraw/zinc/86/02/43/601860243.db2.gz ICDNHXDIAAPZIS-VURMDHGXSA-N 0 0 359.382 2.854 20 10 FFCDRN Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000826249011 607663903 /nfs/dbraw/zinc/66/39/03/607663903.db2.gz HNWYFNDZZGHJKC-UHFFFAOYSA-N 0 0 362.437 2.705 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000827717477 604287149 /nfs/dbraw/zinc/28/71/49/604287149.db2.gz ILXGFUSGTDETOJ-UONOGXRCSA-N 0 0 367.877 2.970 20 10 FFCDRN C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825490749 604291790 /nfs/dbraw/zinc/29/17/90/604291790.db2.gz PGTKAGKFFJMONN-LSDHHAIUSA-N 0 0 365.449 2.703 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)cc1Cl ZINC000825480397 604316229 /nfs/dbraw/zinc/31/62/29/604316229.db2.gz XINYOODOOQRCDO-OLZOCXBDSA-N 0 0 353.850 2.580 20 10 FFCDRN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N2CCOCC2)cc1 ZINC000833193969 604467727 /nfs/dbraw/zinc/46/77/27/604467727.db2.gz UIMDLXRMNWLINU-HXUWFJFHSA-N 0 0 352.434 2.535 20 10 FFCDRN C[C@@H]([NH2+]CC1CCN(C(=O)[O-])CC1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825491087 604928570 /nfs/dbraw/zinc/92/85/70/604928570.db2.gz WDLWOEFFZDUEFU-CQSZACIVSA-N 0 0 365.449 2.703 20 10 FFCDRN COc1ccc(O)c(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000833733190 605241782 /nfs/dbraw/zinc/24/17/82/605241782.db2.gz BVGSVOGKSPZABZ-UHFFFAOYSA-N 0 0 351.786 2.847 20 10 FFCDRN Cc1cc(Br)cc(C[N@H+]2CC[C@H](CN(C)C(=O)[O-])C2)c1O ZINC000833898803 605991053 /nfs/dbraw/zinc/99/10/53/605991053.db2.gz WFLGODKDUUDJOS-LLVKDONJSA-N 0 0 357.248 2.895 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(-c3nn[nH]n3)cs2)cc1F ZINC000821198865 606572062 /nfs/dbraw/zinc/57/20/62/606572062.db2.gz XADFVROHPUQRMP-UHFFFAOYSA-N 0 0 374.445 2.844 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Cc1cccc(-c2nn[nH]n2)c1 ZINC000821109837 606594468 /nfs/dbraw/zinc/59/44/68/606594468.db2.gz QRLSKISCSSGTKV-UHFFFAOYSA-N 0 0 351.410 2.554 20 10 FFCDRN Cc1cc(C(=O)N2CC(C(F)F)C2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000826257544 608187229 /nfs/dbraw/zinc/18/72/29/608187229.db2.gz GXWRWZCGWBYHKS-UHFFFAOYSA-N 0 0 372.379 2.611 20 10 FFCDRN O=C(CNC(=O)NCCCSc1nccs1)Nc1cccc(F)c1 ZINC000152936132 728769017 /nfs/dbraw/zinc/76/90/17/728769017.db2.gz YKFIUDYTONSBHR-UHFFFAOYSA-N 0 0 368.459 2.702 20 10 FFCDRN CCOC(=O)C1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000158073743 728881698 /nfs/dbraw/zinc/88/16/98/728881698.db2.gz IOQPEPXKZPRUCB-UHFFFAOYSA-N 0 0 372.259 2.938 20 10 FFCDRN Cc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1O ZINC000158578819 728890794 /nfs/dbraw/zinc/89/07/94/728890794.db2.gz GIACPRCQLRJKDB-UHFFFAOYSA-N 0 0 356.241 2.942 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(C)nc2Br)c1O ZINC000160293621 728919711 /nfs/dbraw/zinc/91/97/11/728919711.db2.gz GAGBDJRQPLDWLB-UHFFFAOYSA-N 0 0 351.200 2.797 20 10 FFCDRN CC(C)C1CCC(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000160474073 728922537 /nfs/dbraw/zinc/92/25/37/728922537.db2.gz DIBZIMWQOJOYFM-UHFFFAOYSA-N 0 0 354.472 2.708 20 10 FFCDRN COCc1ccc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)cc1 ZINC000743279097 735287542 /nfs/dbraw/zinc/28/75/42/735287542.db2.gz DZDJALWQFZGCIW-UVTDQMKNSA-N 0 0 365.476 2.987 20 10 FFCDRN Cn1ncc(C(=O)NCc2c(O)ccc3c2CCCC3)c1C(F)(F)F ZINC000743716795 735317145 /nfs/dbraw/zinc/31/71/45/735317145.db2.gz XXKLRNRABACQGD-UHFFFAOYSA-N 0 0 353.344 2.953 20 10 FFCDRN COC(=O)CCn1nc(C)c(C[NH2+]Cc2cccc(Cl)c2[O-])c1C ZINC000898218567 735328596 /nfs/dbraw/zinc/32/85/96/735328596.db2.gz KGIGWVXHKOKPEC-UHFFFAOYSA-N 0 0 351.834 2.712 20 10 FFCDRN Cc1cc(C(=O)OCCCS(N)(=O)=O)c(C)n1-c1cccc(Cl)c1 ZINC000744856363 735381914 /nfs/dbraw/zinc/38/19/14/735381914.db2.gz TYUDPBZVFXPVJL-UHFFFAOYSA-N 0 0 370.858 2.583 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c(C)noc3C(F)F)CC2)cc1 ZINC000746094414 735462291 /nfs/dbraw/zinc/46/22/91/735462291.db2.gz XDDARHLPTGTLPB-UHFFFAOYSA-N 0 0 351.353 2.892 20 10 FFCDRN CCN1C(=O)/C(=C/c2ccccc2O[C@@H](C)C(=O)OC)SC1=S ZINC000899333689 735477093 /nfs/dbraw/zinc/47/70/93/735477093.db2.gz RSWZVCZIDOJITP-AVMBBCFPSA-N 0 0 351.449 2.848 20 10 FFCDRN CCn1cc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)nn1 ZINC000899341164 735477751 /nfs/dbraw/zinc/47/77/51/735477751.db2.gz VCSHHUCRJKJPNF-ZROIWOOFSA-N 0 0 359.480 2.770 20 10 FFCDRN O=S(=O)(Nc1cccc(N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000041374228 727939839 /nfs/dbraw/zinc/93/98/39/727939839.db2.gz ABRHTDJACLFZAE-UHFFFAOYSA-N 0 0 352.843 2.977 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSc3ccc(C)cn3)CC2)cc1 ZINC000045025503 727996104 /nfs/dbraw/zinc/99/61/04/727996104.db2.gz DZPACAIVICNZQP-UHFFFAOYSA-N 0 0 357.479 2.840 20 10 FFCDRN [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2cccc(Br)c2[O-])N1 ZINC000054681268 728090632 /nfs/dbraw/zinc/09/06/32/728090632.db2.gz SKGQAVUQNZHGSE-ZDUSSCGKSA-N 0 0 358.199 2.601 20 10 FFCDRN CCc1ccc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000055949890 728098682 /nfs/dbraw/zinc/09/86/82/728098682.db2.gz FNFPNIHBGYZRPI-UHFFFAOYSA-N 0 0 366.508 2.830 20 10 FFCDRN COc1ccc(N2CC[C@H](CNS(=O)(=O)c3cccs3)C2)cc1 ZINC000062575181 728133366 /nfs/dbraw/zinc/13/33/66/728133366.db2.gz FZURPOYSGYANOA-CYBMUJFWSA-N 0 0 352.481 2.562 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNS(=O)(=O)c3ccccc3C)C2)cc1 ZINC000062575241 728133411 /nfs/dbraw/zinc/13/34/11/728133411.db2.gz YGWVTCKQZFJTRD-INIZCTEOSA-N 0 0 360.479 2.808 20 10 FFCDRN COc1ccc(N2CCN(Cn3nc(N(C)C)sc3=S)CC2)cc1 ZINC000066447301 728171586 /nfs/dbraw/zinc/17/15/86/728171586.db2.gz CAFTTZJNDBUZDU-UHFFFAOYSA-N 0 0 365.528 2.528 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NC[C@@H]1CCC[C@H](O)C1 ZINC000073744929 728225265 /nfs/dbraw/zinc/22/52/65/728225265.db2.gz OPMDPMZWUSQVLD-AEFFLSMTSA-N 0 0 363.527 2.590 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2csc(-c3cnn(C)c3)n2)cc1F ZINC000746804991 735510581 /nfs/dbraw/zinc/51/05/81/735510581.db2.gz CDNRHUGQCRYDIS-UHFFFAOYSA-N 0 0 359.430 2.679 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(C3=NC[C@@H](C)S3)CC2)c1O ZINC000079497761 728313737 /nfs/dbraw/zinc/31/37/37/728313737.db2.gz GBJZAXZWAAFWKY-LLVKDONJSA-N 0 0 367.902 2.857 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCCc3cccs3)CC2)cc1F ZINC000084732656 728425431 /nfs/dbraw/zinc/42/54/31/728425431.db2.gz ORZJFZTUTZEOGE-UHFFFAOYSA-N 0 0 363.458 2.970 20 10 FFCDRN CCS(=O)(=O)CCN(C)C(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000089377323 728443074 /nfs/dbraw/zinc/44/30/74/728443074.db2.gz TVXPRJFHKUKENH-UHFFFAOYSA-N 0 0 362.495 2.909 20 10 FFCDRN COc1cc(Br)cc(CN(C)[C@H](C)C(=O)OC(C)C)c1O ZINC000093772927 728477655 /nfs/dbraw/zinc/47/76/55/728477655.db2.gz KVKHRSYOYKDBIB-SNVBAGLBSA-N 0 0 360.248 2.935 20 10 FFCDRN Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c(Cl)c1 ZINC000093900789 728478435 /nfs/dbraw/zinc/47/84/35/728478435.db2.gz UVROSFDDTLSQFE-UHFFFAOYSA-N 0 0 354.815 2.978 20 10 FFCDRN Cc1cccc(C(C)(C)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000094157814 728479778 /nfs/dbraw/zinc/47/97/78/728479778.db2.gz VYTQQANDCRDESK-UHFFFAOYSA-N 0 0 362.451 2.737 20 10 FFCDRN Cc1cc(C)cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 ZINC000097681146 728483528 /nfs/dbraw/zinc/48/35/28/728483528.db2.gz LZHUFWZLTHSFSY-UHFFFAOYSA-N 0 0 358.463 2.791 20 10 FFCDRN COc1ccc(N(CCCN2C(=O)NC(C)(C)C2=O)C(C)C)cc1F ZINC000101567452 728486449 /nfs/dbraw/zinc/48/64/49/728486449.db2.gz GXQWCFKACXBULH-UHFFFAOYSA-N 0 0 351.422 2.770 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCS(=O)(=O)CC(C)C)cc1F ZINC000108996859 728523545 /nfs/dbraw/zinc/52/35/45/728523545.db2.gz STKHRFJEPGNSQG-UHFFFAOYSA-N 0 0 372.506 2.749 20 10 FFCDRN NC(=O)N[C@H](CC(=O)NCCCSc1nccs1)c1cccs1 ZINC000114139996 728559156 /nfs/dbraw/zinc/55/91/56/728559156.db2.gz BLQQCNVTDDIRSR-SNVBAGLBSA-N 0 0 370.525 2.603 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cc(I)c[nH]2)cc1 ZINC000115319758 728565161 /nfs/dbraw/zinc/56/51/61/728565161.db2.gz RVSVQUFHBJDLNZ-UHFFFAOYSA-N 0 0 369.206 2.615 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)CNC(=O)c1cccc(Cl)c1 ZINC000115490240 728565564 /nfs/dbraw/zinc/56/55/64/728565564.db2.gz LYNUWZPTTNFEBH-UHFFFAOYSA-N 0 0 359.857 2.761 20 10 FFCDRN COc1cccc(/C=C2/SC(N3CCOCC3)=NC2=O)c1OC(F)F ZINC000747147974 735538723 /nfs/dbraw/zinc/53/87/23/735538723.db2.gz KNQNQVHBFJHBMF-FMIVXFBMSA-N 0 0 370.377 2.599 20 10 FFCDRN COC[C@@H](C)S(=O)(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000117913198 728579846 /nfs/dbraw/zinc/57/98/46/728579846.db2.gz PVEILOWGAFCVPO-OAHLLOKOSA-N 0 0 354.516 2.910 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](C)O)c(C)n1-c1ccccc1Br ZINC000119408702 728593892 /nfs/dbraw/zinc/59/38/92/728593892.db2.gz GRCLLRUNTNUWON-NSHDSACASA-N 0 0 351.244 2.967 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1n[nH]c2c1CCCC2 ZINC000121367684 728625368 /nfs/dbraw/zinc/62/53/68/728625368.db2.gz QZGSVSGHKYGGEF-UHFFFAOYSA-N 0 0 356.495 2.772 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCS(=O)(=O)[C@H](C)[C@@H]2C)cc1 ZINC000121880760 728640964 /nfs/dbraw/zinc/64/09/64/728640964.db2.gz HZYPJENYLNELAY-JKSUJKDBSA-N 0 0 360.479 2.742 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(S(=O)(=O)N(C)C)o2)cc1Cl ZINC000121882028 728641024 /nfs/dbraw/zinc/64/10/24/728641024.db2.gz FAWPEKLTLJPPNR-UHFFFAOYSA-N 0 0 358.847 2.828 20 10 FFCDRN COc1cc(Cl)c(C)cc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000122349270 728646722 /nfs/dbraw/zinc/64/67/22/728646722.db2.gz ZSDFDWZHNDUUFA-UHFFFAOYSA-N 0 0 362.813 2.960 20 10 FFCDRN Cc1cc(C(=O)CSc2nnc(CO)n2C)c(C)n1-c1ccccc1 ZINC000122482410 728647848 /nfs/dbraw/zinc/64/78/48/728647848.db2.gz NDXGMBUIKXKAAC-UHFFFAOYSA-N 0 0 356.451 2.690 20 10 FFCDRN C[C@H](CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[S@](C)=O ZINC000122495397 728648012 /nfs/dbraw/zinc/64/80/12/728648012.db2.gz XVQBSWSXTNWYAZ-PUAOIOHZSA-N 0 0 365.543 2.879 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCCOc2ccccc2Cl)c1 ZINC000126879168 728704912 /nfs/dbraw/zinc/70/49/12/728704912.db2.gz QYVRAEYSRDHXTE-UHFFFAOYSA-N 0 0 350.802 2.932 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CCCSC3)CC2)cc1F ZINC000129260649 728710886 /nfs/dbraw/zinc/71/08/86/728710886.db2.gz KHELUOGWOJAHRY-CYBMUJFWSA-N 0 0 353.463 2.562 20 10 FFCDRN C[C@H](O)CC[NH2+]Cc1cc(Br)cc(Br)c1[O-] ZINC000133208756 728726476 /nfs/dbraw/zinc/72/64/76/728726476.db2.gz LHLCYUXJCIDOII-ZETCQYMHSA-N 0 0 353.054 2.778 20 10 FFCDRN Cc1cc(C(=O)Nc2nn[nH]n2)c(C)n1-c1ccccc1Br ZINC000135469217 728738392 /nfs/dbraw/zinc/73/83/92/728738392.db2.gz NWPBDFHCHJBZDB-UHFFFAOYSA-N 0 0 361.203 2.622 20 10 FFCDRN CCC(CC)CS(=O)(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000151256319 728744723 /nfs/dbraw/zinc/74/47/23/728744723.db2.gz QUVNZHSJGPJTAM-UHFFFAOYSA-N 0 0 372.506 2.642 20 10 FFCDRN CN(C)[C@@H](CNC(=O)NCCCSc1nccs1)c1ccco1 ZINC000151652548 728746267 /nfs/dbraw/zinc/74/62/67/728746267.db2.gz FEFFNHCQFXIBNV-LBPRGKRZSA-N 0 0 354.501 2.820 20 10 FFCDRN COc1cc(CN2CCS(=O)(=O)[C@@H](C)[C@H]2C)c(O)c(C(C)(C)C)c1 ZINC000164348467 728965654 /nfs/dbraw/zinc/96/56/54/728965654.db2.gz MHJTXLXUBVDCFF-OLZOCXBDSA-N 0 0 355.500 2.706 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)C[C@@H]3CCCCO3)cc2)CC1 ZINC000170990768 728994412 /nfs/dbraw/zinc/99/44/12/728994412.db2.gz XSQOSTXEQZEVDE-IBGZPJMESA-N 0 0 366.527 2.911 20 10 FFCDRN O=C(NCCCSc1nccs1)c1csc(-c2cnccn2)n1 ZINC000172197389 729021387 /nfs/dbraw/zinc/02/13/87/729021387.db2.gz XLNZWCVIJHNHDB-UHFFFAOYSA-N 0 0 363.493 2.969 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2C(N)=O)c1O ZINC000177234783 729132414 /nfs/dbraw/zinc/13/24/14/729132414.db2.gz FYFNUGIKGIUGDY-KRWDZBQOSA-N 0 0 358.825 2.660 20 10 FFCDRN CCCN(Cc1cc(Cl)cc(C(C)=O)c1O)[C@@H]1CCS(=O)(=O)C1 ZINC000177253221 729132965 /nfs/dbraw/zinc/13/29/65/729132965.db2.gz SKJMTKLTDGMQIW-CQSZACIVSA-N 0 0 359.875 2.647 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCC3CCOCC3)CC2)cc1F ZINC000177288707 729133601 /nfs/dbraw/zinc/13/36/01/729133601.db2.gz IALPLXWKYZYIME-UHFFFAOYSA-N 0 0 350.434 2.690 20 10 FFCDRN CN1C(=O)C(=Cc2ccc(Cl)cc2Br)C(=O)N(C)C1=O ZINC000178985156 729175225 /nfs/dbraw/zinc/17/52/25/729175225.db2.gz MYDRBCJJRHBVLB-UHFFFAOYSA-N 0 0 357.591 2.536 20 10 FFCDRN [O-]c1c(Br)cccc1CN1CC[NH+](CC2CCOCC2)CC1 ZINC000179626726 729190736 /nfs/dbraw/zinc/19/07/36/729190736.db2.gz NAGZDLJSZIJCHH-UHFFFAOYSA-N 0 0 369.303 2.699 20 10 FFCDRN Cc1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3O)n2)ccc1F ZINC000184849912 729334889 /nfs/dbraw/zinc/33/48/89/729334889.db2.gz QCRISPUUMXHKTQ-UHFFFAOYSA-N 0 0 363.370 2.928 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2ccc(C(F)F)cc2)c1 ZINC000185401385 729348812 /nfs/dbraw/zinc/34/88/12/729348812.db2.gz WWWPDNVOAPJYGT-UHFFFAOYSA-N 0 0 370.377 2.631 20 10 FFCDRN O=S(=O)(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccco1 ZINC000188729664 729391216 /nfs/dbraw/zinc/39/12/16/729391216.db2.gz ZCCCMJTWRBNMCB-GFCCVEGCSA-N 0 0 372.393 2.828 20 10 FFCDRN CCOc1cccc(CNc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000192781788 729458934 /nfs/dbraw/zinc/45/89/34/729458934.db2.gz QIMOWCIRFPPLHP-UHFFFAOYSA-N 0 0 350.440 2.653 20 10 FFCDRN C[C@H]([NH2+]CCCN1CCCS1(=O)=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000756686837 736352022 /nfs/dbraw/zinc/35/20/22/736352022.db2.gz KQOLUMIAGPGYDK-JTQLQIEISA-N 0 0 367.298 2.775 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCO[C@H](C(F)F)C2)cc1F ZINC000194237410 729504242 /nfs/dbraw/zinc/50/42/42/729504242.db2.gz ILPRPKBHVGABSM-HNNXBMFYSA-N 0 0 359.392 2.847 20 10 FFCDRN O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1CCN1CCOCC1 ZINC000255366892 729637787 /nfs/dbraw/zinc/63/77/87/729637787.db2.gz WGOVSLWXODKDNW-SDNWHVSQSA-N 0 0 368.911 2.873 20 10 FFCDRN Cn1cc(Br)c(C(=O)NCc2ccc(N3CCCC3)cc2)n1 ZINC000292752306 729720295 /nfs/dbraw/zinc/72/02/95/729720295.db2.gz JXUUICJIYBNXEP-UHFFFAOYSA-N 0 0 363.259 2.713 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1csc([N+](=O)[O-])c1 ZINC000856210438 730316106 /nfs/dbraw/zinc/31/61/06/730316106.db2.gz BRZLHIWZHGSPJD-UHFFFAOYSA-N 0 0 361.423 2.547 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cnc(Cl)c(F)c1 ZINC000856213180 730316294 /nfs/dbraw/zinc/31/62/94/730316294.db2.gz DNLSPIQQIIFUDL-UHFFFAOYSA-N 0 0 363.820 2.765 20 10 FFCDRN NC(=O)c1cc(F)ccc1N1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000857067774 730377172 /nfs/dbraw/zinc/37/71/72/730377172.db2.gz QNAUIKOOUARWEJ-UHFFFAOYSA-N 0 0 363.820 2.606 20 10 FFCDRN CCn1ncc(Cl)c1C(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000857295867 730389593 /nfs/dbraw/zinc/38/95/93/730389593.db2.gz XKCWQVGDGIABAC-ZDUSSCGKSA-N 0 0 362.861 2.821 20 10 FFCDRN CN(C)c1cc(F)c(C[NH2+]C[C@@H]2CS(=O)(=O)c3ccccc32)cc1F ZINC000858171308 730418648 /nfs/dbraw/zinc/41/86/48/730418648.db2.gz UUHNHZVGTGNJLK-CYBMUJFWSA-N 0 0 366.433 2.692 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000858508944 730427617 /nfs/dbraw/zinc/42/76/17/730427617.db2.gz SHTPWHJSRHLGAO-OLZOCXBDSA-N 0 0 351.447 2.802 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)oc2C)cc1 ZINC000858603849 730429747 /nfs/dbraw/zinc/42/97/47/730429747.db2.gz BURLFBNCWSPTIM-UHFFFAOYSA-N 0 0 364.467 2.768 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@@H]1CCCN1CC(F)F ZINC000858746869 730432774 /nfs/dbraw/zinc/43/27/74/730432774.db2.gz IVNKHAQQNLTHTN-INIZCTEOSA-N 0 0 354.445 2.590 20 10 FFCDRN C[C@H](NC(=O)[C@H]1C[C@@]1(C)Br)c1ccc(N2CCOCC2)cc1 ZINC000858786035 730433733 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Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000740805780 735089038 /nfs/dbraw/zinc/08/90/38/735089038.db2.gz LEFQCVFTGZXGSS-INIZCTEOSA-N 0 0 360.479 2.601 20 10 FFCDRN CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2cccc(Br)c2[O-])C1 ZINC000740900221 735097633 /nfs/dbraw/zinc/09/76/33/735097633.db2.gz MVYUSPMGVIFPQA-RYUDHWBXSA-N 0 0 362.289 2.600 20 10 FFCDRN C[C@@H](CO)SCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000742460224 735239325 /nfs/dbraw/zinc/23/93/25/735239325.db2.gz AYTXGMFHTOBOJN-NSHDSACASA-N 0 0 355.415 2.515 20 10 FFCDRN Cc1cc(Br)cc(CN2CCO[C@@H](c3ccnn3C)C2)c1O ZINC000897558242 735247914 /nfs/dbraw/zinc/24/79/14/735247914.db2.gz GUJNXWCCQMNQFK-OAHLLOKOSA-N 0 0 366.259 2.770 20 10 FFCDRN Cc1cccc(C2N=NC(=S)N2CC(=O)NCc2ccccc2O)c1 ZINC000748349412 735637417 /nfs/dbraw/zinc/63/74/17/735637417.db2.gz GCWNMWOHFGKSOJ-UHFFFAOYSA-N 0 0 354.435 2.564 20 10 FFCDRN O=C(NCc1ccccc1O)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1 ZINC000748354327 735637790 /nfs/dbraw/zinc/63/77/90/735637790.db2.gz 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C[C@H]1CCN(S(=O)(=O)N(C)Cc2ccc(N3CCCCC3)cc2)C1 ZINC000777955589 738335175 /nfs/dbraw/zinc/33/51/75/738335175.db2.gz PYPYDJRWNQGSBF-INIZCTEOSA-N 0 0 351.516 2.695 20 10 FFCDRN Cc1cc(CCNS(=O)(=O)N2CC[C@@H](C)C2)c(C)n1-c1ccccc1 ZINC000777955745 738335287 /nfs/dbraw/zinc/33/52/87/738335287.db2.gz RVQFVNBUGSKSDD-OAHLLOKOSA-N 0 0 361.511 2.813 20 10 FFCDRN Cc1nc(CN2CCC(C(=O)NCc3c(O)cccc3F)CC2)cs1 ZINC000928712092 738898637 /nfs/dbraw/zinc/89/86/37/738898637.db2.gz ONMQXQKNCMWEIJ-UHFFFAOYSA-N 0 0 363.458 2.825 20 10 FFCDRN CC[S@](=O)CC(=O)OCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C ZINC000787951832 739190629 /nfs/dbraw/zinc/19/06/29/739190629.db2.gz YJTAAFWXOMFHIX-VWLOTQADSA-N 0 0 365.426 2.728 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)NCCC1CCCCC1 ZINC000788432988 739244318 /nfs/dbraw/zinc/24/43/18/739244318.db2.gz OORZWMWNMROWBJ-UHFFFAOYSA-N 0 0 355.529 2.828 20 10 FFCDRN C[C@H]([NH2+]CCS(=O)(=O)CC1CC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788670587 739270815 /nfs/dbraw/zinc/27/08/15/739270815.db2.gz 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CSc1ccccc1NC(=O)CN(C)C(=O)c1c(F)ccc(O)c1O ZINC000790070197 739416565 /nfs/dbraw/zinc/41/65/65/739416565.db2.gz KIVBWTZARJSTCA-UHFFFAOYSA-N 0 0 364.398 2.670 20 10 FFCDRN S=C(NNc1nc2ccccn2n1)Nc1ccc(Br)cc1 ZINC000790343548 739440659 /nfs/dbraw/zinc/44/06/59/739440659.db2.gz AQSBOVXPUVNBBM-UHFFFAOYSA-N 0 0 363.244 2.805 20 10 FFCDRN CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000790417830 739451518 /nfs/dbraw/zinc/45/15/18/739451518.db2.gz QFABWEXTWBRDID-UHFFFAOYSA-N 0 0 367.398 2.990 20 10 FFCDRN COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)c(F)c1 ZINC000790823275 739500312 /nfs/dbraw/zinc/50/03/12/739500312.db2.gz BNFDIESKWKRBNO-UHFFFAOYSA-N 0 0 352.431 2.721 20 10 FFCDRN CS(=O)(=O)Nc1cccc(C[NH2+]Cc2c([O-])ccc(Cl)c2F)c1 ZINC000790950382 739517940 /nfs/dbraw/zinc/51/79/40/739517940.db2.gz YKFLNPZOTIXDDY-UHFFFAOYSA-N 0 0 358.822 2.846 20 10 FFCDRN CSc1cc(O)ccc1NS(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000792703563 739695966 /nfs/dbraw/zinc/69/59/66/739695966.db2.gz ZJAOMJOHWKXZTI-UHFFFAOYSA-N 0 0 366.464 2.617 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCCS(=O)(=O)C[C@H]2C2CC2)c1O ZINC000933923039 739706568 /nfs/dbraw/zinc/70/65/68/739706568.db2.gz MNNOLDVXEJEDJS-INIZCTEOSA-N 0 0 371.886 2.647 20 10 FFCDRN C[C@@H](NCc1ccc(N(C)C)cc1C(F)(F)F)c1nnnn1C1CC1 ZINC000793184615 739749413 /nfs/dbraw/zinc/74/94/13/739749413.db2.gz FMEMGQBOWSDCMH-SNVBAGLBSA-N 0 0 354.380 2.944 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1 ZINC000793360832 739773336 /nfs/dbraw/zinc/77/33/36/739773336.db2.gz ACSHLLKKSITLTO-MLGOLLRUSA-N 0 0 356.260 2.843 20 10 FFCDRN CC1(C)C[N@H+](Cc2cccc(Br)c2[O-])C[C@]2(CCOC2)O1 ZINC000793365334 739774370 /nfs/dbraw/zinc/77/43/70/739774370.db2.gz KMEGGSPLBJWGRC-INIZCTEOSA-N 0 0 356.260 2.925 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C)c(O)c1 ZINC000794391641 739886135 /nfs/dbraw/zinc/88/61/35/739886135.db2.gz ZMQXEODYTDGTJU-RYUDHWBXSA-N 0 0 352.431 2.566 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccsc2)cc1C ZINC000795305504 740000972 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COCC[C@@H](CO)NC(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000799085885 740386672 /nfs/dbraw/zinc/38/66/72/740386672.db2.gz WDHRVPRWGDHDFJ-HNNXBMFYSA-N 0 0 350.846 2.875 20 10 FFCDRN CSCCC[N@H+](C)Cc1cc(C(C)=O)cc(CN2CCOCC2)c1[O-] ZINC000799161478 740394368 /nfs/dbraw/zinc/39/43/68/740394368.db2.gz VDXOKPYTFOKFRS-UHFFFAOYSA-N 0 0 366.527 2.612 20 10 FFCDRN C[C@H]([NH2+]CC1([S@@](C)=O)CC1)c1cc(Br)c(F)cc1[O-] ZINC000799727766 740445906 /nfs/dbraw/zinc/44/59/06/740445906.db2.gz YFJWJKJXJPRDHP-WPCRTTGESA-N 0 0 350.253 2.856 20 10 FFCDRN COCCOCC(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800048974 740478268 /nfs/dbraw/zinc/47/82/68/740478268.db2.gz DSFGHHRRWBWDQC-CQSZACIVSA-N 0 0 354.878 2.856 20 10 FFCDRN CCNC(=O)CC(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800570017 740534364 /nfs/dbraw/zinc/53/43/64/740534364.db2.gz FTMCCMZDWYZDCM-ZDUSSCGKSA-N 0 0 351.878 2.719 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000801262164 740600527 /nfs/dbraw/zinc/60/05/27/740600527.db2.gz 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Cc1cc(N(C)C)ccc1C[C@@H](C)N1C(=O)NC2(CCSCC2)C1=O ZINC000842263952 747560421 /nfs/dbraw/zinc/56/04/21/747560421.db2.gz BLYOAHOZQIZOMZ-CQSZACIVSA-N 0 0 361.511 2.810 20 10 FFCDRN CO[C@H](CC(C)C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000842264230 747560427 /nfs/dbraw/zinc/56/04/27/747560427.db2.gz GIXDFGPUBMXVFL-CQSZACIVSA-N 0 0 354.834 2.871 20 10 FFCDRN O=S1(=O)C[C@H](C[NH2+]Cc2c([O-])ccc(Cl)c2F)Oc2ccccc21 ZINC000842724041 747669906 /nfs/dbraw/zinc/66/99/06/747669906.db2.gz NKLNWDMRQUPHME-JTQLQIEISA-N 0 0 371.817 2.509 20 10 FFCDRN Nc1ccc(CCNS(=O)(=O)N2CCC3(CCCCC3)CC2)cc1 ZINC000842823182 747698719 /nfs/dbraw/zinc/69/87/19/747698719.db2.gz PEYMKXFKKSKMRQ-UHFFFAOYSA-N 0 0 351.516 2.692 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@H]3CSCCS3)C2)cc1 ZINC000842879197 747712357 /nfs/dbraw/zinc/71/23/57/747712357.db2.gz ORYYFZNPLHVXHI-CZUORRHYSA-N 0 0 353.509 2.913 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1coc(S(C)(=O)=O)c1 ZINC000844321007 748003784 /nfs/dbraw/zinc/00/37/84/748003784.db2.gz 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C[C@H]1CCC[C@@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC000851991718 749745238 /nfs/dbraw/zinc/74/52/38/749745238.db2.gz UXBBHQVQEGJXEK-YJBOKZPZSA-N 0 0 363.527 2.997 20 10 FFCDRN CCc1cnc(CNC(=O)N[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000852155982 749789021 /nfs/dbraw/zinc/78/90/21/749789021.db2.gz OSNILPUQBCMYJW-CYBMUJFWSA-N 0 0 360.483 2.792 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NC[C@@]3(C)CC3(F)F)C2)cc1 ZINC000852386697 749850844 /nfs/dbraw/zinc/85/08/44/749850844.db2.gz JTWDDJJIIVABDG-CXAGYDPISA-N 0 0 353.413 2.866 20 10 FFCDRN COC1CC(CCNC(=O)NCc2cc(Br)ccc2O)C1 ZINC000852415966 749855445 /nfs/dbraw/zinc/85/54/45/749855445.db2.gz ZJRNBSBZWLMBAM-UHFFFAOYSA-N 0 0 357.248 2.769 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCCCOC(C)(C)C)cc1 ZINC000852550619 749888867 /nfs/dbraw/zinc/88/88/67/749888867.db2.gz DBHSFUGYKDNZFQ-UHFFFAOYSA-N 0 0 351.491 2.978 20 10 FFCDRN C[C@H]1CCC[C@H](CNC(=O)NCc2cccc(Br)c2O)O1 ZINC000852580089 749896095 /nfs/dbraw/zinc/89/60/95/749896095.db2.gz LWIFTLDSGLTSME-CMPLNLGQSA-N 0 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20 10 FFCDRN COCCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ccc(OC)c(OC)c1 ZINC000821690214 945818051 /nfs/dbraw/zinc/81/80/51/945818051.db2.gz AHZYQXOEHVKHLE-UHFFFAOYSA-N 0 0 369.425 2.537 20 10 FFCDRN C[C@H](O)[C@H]1CCN(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)C1 ZINC000888587362 1013069364 /nfs/dbraw/zinc/06/93/64/1013069364.db2.gz GYAJSPUGYKKIKG-KBPBESRZSA-N 0 0 351.410 2.631 20 10 FFCDRN C[C@@H]1COCC[C@H]1NC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888587134 1013070467 /nfs/dbraw/zinc/07/04/67/1013070467.db2.gz BFXBPUDZXJAJQB-ZIAGYGMSSA-N 0 0 351.410 2.943 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc(N3CCOCC3)cc2C)c1O ZINC000729554126 971351756 /nfs/dbraw/zinc/35/17/56/971351756.db2.gz ZWIJMZMCXVTFCG-UHFFFAOYSA-N 0 0 371.437 2.868 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H](CC2CC2)NC(=O)OC(C)(C)C)c1 ZINC000896361112 971456266 /nfs/dbraw/zinc/45/62/66/971456266.db2.gz KVWUCKZFLQQEDL-HNNXBMFYSA-N 0 0 364.442 2.710 20 10 FFCDRN CC(C)Nc1ccccc1NCC(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000871847133 1013085567 /nfs/dbraw/zinc/08/55/67/1013085567.db2.gz LNTLVABFBWQDAB-UHFFFAOYSA-N 0 0 366.421 2.783 20 10 FFCDRN [O-]c1c(Cl)cccc1C[NH+]1CCN(c2ccccc2-c2nn[nH]n2)CC1 ZINC000826510859 948432280 /nfs/dbraw/zinc/43/22/80/948432280.db2.gz NYWKZKZVLLYKJW-UHFFFAOYSA-N 0 0 370.844 2.548 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@H]3CCC(C)(C)O3)CC2)cc1F ZINC000188673033 971534834 /nfs/dbraw/zinc/53/48/34/971534834.db2.gz XAEAEVFCHPRXNZ-OAHLLOKOSA-N 0 0 365.449 2.624 20 10 FFCDRN COc1ccc(C(=O)NCCCC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000025065289 971691224 /nfs/dbraw/zinc/69/12/24/971691224.db2.gz XRMAMMOKTVCEDK-UHFFFAOYSA-N 0 0 369.465 2.588 20 10 FFCDRN CCCNC(=O)[C@H]1CN(Cc2cccc(OC)c2O)c2ccccc2O1 ZINC000194725547 971892053 /nfs/dbraw/zinc/89/20/53/971892053.db2.gz TZHNMAMTBRSYOE-GOSISDBHSA-N 0 0 356.422 2.695 20 10 FFCDRN COc1cc(N2CCN([C@H](C)c3ncc(C)o3)CC2)cc(OC)c1OC ZINC000759886942 971894590 /nfs/dbraw/zinc/89/45/90/971894590.db2.gz RPJCLNNFHFDQBW-CQSZACIVSA-N 0 0 361.442 2.892 20 10 FFCDRN Cc1cc(=O)oc2cc(OCC(=O)NCc3ccc(N(C)C)cc3)ccc12 ZINC000015134499 971903224 /nfs/dbraw/zinc/90/32/24/971903224.db2.gz ONBKCGAXQQXLCL-UHFFFAOYSA-N 0 0 366.417 2.863 20 10 FFCDRN COc1ccc(N2CCCN(CC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000053772194 972089062 /nfs/dbraw/zinc/08/90/62/972089062.db2.gz QBUKIIYZMLWAHI-UHFFFAOYSA-N 0 0 371.456 2.663 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2cccnc2-n2ccnc2)cc1 ZINC000026388837 972271887 /nfs/dbraw/zinc/27/18/87/972271887.db2.gz VLEQYXBKVYSGCN-UHFFFAOYSA-N 0 0 364.453 2.675 20 10 FFCDRN CNS(=O)(=O)c1ccc(Nc2ccccc2C(=O)c2ccncc2)cc1 ZINC001174269672 1013161829 /nfs/dbraw/zinc/16/18/29/1013161829.db2.gz XGHCGNBTGYBPMJ-UHFFFAOYSA-N 0 0 367.430 2.964 20 10 FFCDRN CN(C1=CCCN(Cc2ccccc2)C1)S(=O)(=O)Cc1ccc(N)cc1 ZINC001174396077 1013180322 /nfs/dbraw/zinc/18/03/22/1013180322.db2.gz CLSOCNQQQSYZGG-UHFFFAOYSA-N 0 0 371.506 2.820 20 10 FFCDRN O=C(NCCOc1ccccc1)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000120243186 959297023 /nfs/dbraw/zinc/29/70/23/959297023.db2.gz XHXQTMSNCUBEOL-UHFFFAOYSA-N 0 0 373.428 2.541 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C[C@@H](c2ccccc2)N2CCOC2=O)cc1 ZINC000728233328 960312807 /nfs/dbraw/zinc/31/28/07/960312807.db2.gz DZHBTIWSDMZMGS-IBGZPJMESA-N 0 0 367.449 2.952 20 10 FFCDRN C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(Cl)c2O)C1=O ZINC000890758469 960319549 /nfs/dbraw/zinc/31/95/49/960319549.db2.gz ZMEMVTFEOPGCOD-LBPRGKRZSA-N 0 0 374.824 2.866 20 10 FFCDRN CCN1C(=O)C[C@H](C(=O)NCc2cccc(Cl)c2O)[C@H]1c1cccnc1 ZINC000890761784 960326626 /nfs/dbraw/zinc/32/66/26/960326626.db2.gz XYQADPMTKOKKCG-WMLDXEAASA-N 0 0 373.840 2.667 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccn(CC(C)C)n3)CC2)cc1F ZINC000896898547 972526936 /nfs/dbraw/zinc/52/69/36/972526936.db2.gz JWSFBTDCAVORFI-UHFFFAOYSA-N 0 0 360.433 2.649 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCC[C@@H]1CCC2(CCOCC2)CO1 ZINC000890917662 961029045 /nfs/dbraw/zinc/02/90/45/961029045.db2.gz PKIURWOUYBKUBO-KRWDZBQOSA-N 0 0 362.470 2.900 20 10 FFCDRN CC[C@H](C)N1C[C@@]2(CC1=O)COCC[N@H+](Cc1c(F)ccc(F)c1[O-])C2 ZINC001275951945 1013220581 /nfs/dbraw/zinc/22/05/81/1013220581.db2.gz REORYPRJBAHWNQ-DJJJIMSYSA-N 0 0 368.424 2.520 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCO[C@@H](C(F)(F)F)CC2)c([N+](=O)[O-])c1 ZINC000872751632 1013256311 /nfs/dbraw/zinc/25/63/11/1013256311.db2.gz QNQGMSJASYAPML-PKXJPQMGSA-N 0 0 374.315 2.939 20 10 FFCDRN C[C@H]1CCCCN(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)C1 ZINC000891087815 961926812 /nfs/dbraw/zinc/92/68/12/961926812.db2.gz ZEIOZYNZYRSQIG-INIZCTEOSA-N 0 0 372.513 2.720 20 10 FFCDRN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000009033640 1013306898 /nfs/dbraw/zinc/30/68/98/1013306898.db2.gz WCHNIGOLARHSOM-OAHLLOKOSA-N 0 0 371.437 2.794 20 10 FFCDRN O=C1CC[C@@H]2[C@@H](CC[N@H+]2Cc2c([O-])cccc2F)N1CC1CCOCC1 ZINC001276038060 1013349049 /nfs/dbraw/zinc/34/90/49/1013349049.db2.gz QBGMXOPTFUBOSW-QZTJIDSGSA-N 0 0 362.445 2.523 20 10 FFCDRN Cc1cnccc1/C=C/C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000891249222 962582403 /nfs/dbraw/zinc/58/24/03/962582403.db2.gz PLWHFVVXXGJEJK-ZBWUASRJSA-N 0 0 352.482 2.888 20 10 FFCDRN C[C@H]1CN(c2cccc3cnccc32)CCN1C(=O)c1cccc(O)c1O ZINC000773436382 1013362904 /nfs/dbraw/zinc/36/29/04/1013362904.db2.gz FPORJRQORSRXDC-AWEZNQCLSA-N 0 0 363.417 2.997 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H]3C[C@H]4CCC[C@@H]4O3)C2)cc1 ZINC000873062698 1013369660 /nfs/dbraw/zinc/36/96/60/1013369660.db2.gz XLAXNFQXCZFIIY-PDWMJMLSSA-N 0 0 359.470 2.531 20 10 FFCDRN COC(=O)C[C@@H]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000891303058 962979386 /nfs/dbraw/zinc/97/93/86/962979386.db2.gz GMFUUYNOFQLSTP-CVEARBPZSA-N 0 0 355.438 2.951 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCCn3cccn3)cc2F)C[C@H](C)O1 ZINC000050333457 963000651 /nfs/dbraw/zinc/00/06/51/963000651.db2.gz QRYUXBDJUQBWNB-IYBDPMFKSA-N 0 0 374.460 2.732 20 10 FFCDRN COc1ccc(CNCc2nnc(C(C)(C)C)[nH]2)cc1Cn1cccn1 ZINC000873131555 1013395775 /nfs/dbraw/zinc/39/57/75/1013395775.db2.gz VRXUVNAWQPRPRF-UHFFFAOYSA-N 0 0 354.458 2.645 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c([N+](=O)[O-])cnn1C ZINC000160594752 963068726 /nfs/dbraw/zinc/06/87/26/963068726.db2.gz HMJRESVCRUEXIU-UHFFFAOYSA-N 0 0 357.414 2.591 20 10 FFCDRN O=C1N(C2CCCC2)C[C@@]2(F)CN(Cc3cc(F)ccc3O)C[C@@]12F ZINC001276064724 1013394392 /nfs/dbraw/zinc/39/43/92/1013394392.db2.gz VUUDMTQEULFXKC-ZWKOTPCHSA-N 0 0 354.372 2.548 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000932947013 963092072 /nfs/dbraw/zinc/09/20/72/963092072.db2.gz YAHYEJJVXWFYBQ-FQEVSTJZSA-N 0 0 365.477 2.726 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N1CCN(C/C=C\c2ccccc2)CC1 ZINC000588404557 963580680 /nfs/dbraw/zinc/58/06/80/963580680.db2.gz JCMLYUGZRPMKCV-SKQDYVHHSA-N 0 0 364.445 2.969 20 10 FFCDRN O=C1C[C@]2(CN1Cc1cnoc1)CCCC[N@H+]2Cc1cccc(F)c1[O-] ZINC001276086243 1013431768 /nfs/dbraw/zinc/43/17/68/1013431768.db2.gz PBGNOMKQJXMIHP-IBGZPJMESA-N 0 0 359.401 2.677 20 10 FFCDRN CCOCCN1C[C@]2(CC1=O)CCCC[N@@H+]2Cc1cccc(F)c1[O-] ZINC001276085439 1013431905 /nfs/dbraw/zinc/43/19/05/1013431905.db2.gz JDLLDQJWSBBSLB-LJQANCHMSA-N 0 0 350.434 2.525 20 10 FFCDRN CC[C@H](C)C(=O)N1C[C@H]2CCN(C(=O)c3ccc(N=NC(N)=O)cc3)C[C@H]21 ZINC000971388239 963720684 /nfs/dbraw/zinc/72/06/84/963720684.db2.gz XFDNBUNXFKPNJH-JGGQBBKZSA-N 0 0 371.441 2.568 20 10 FFCDRN CCOC1CC2(C[C@@H]2NC(=O)N2CCCN(c3ccc(OC)cc3)CC2)C1 ZINC000873269127 1013453713 /nfs/dbraw/zinc/45/37/13/1013453713.db2.gz MKCBOEUBMDZWQU-SCCNAQOGSA-N 0 0 373.497 2.875 20 10 FFCDRN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@@H](C)CN(C)c3ccccc32)c1 ZINC000255334480 964059031 /nfs/dbraw/zinc/05/90/31/964059031.db2.gz ZDOJNUNOZXTXOQ-CDNLZTBQSA-N 0 0 364.449 2.574 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@H](O)c2c(F)cccc2F)cc1F ZINC000077800340 964214456 /nfs/dbraw/zinc/21/44/56/964214456.db2.gz QIMWGRVDBOKCPT-INIZCTEOSA-N 0 0 367.371 2.703 20 10 FFCDRN COC(=O)[C@@H]1C[C@@H]2C[C@H](NC(=O)N[C@H](C)c3ccc(N(C)C)cc3)[C@@H]2C1 ZINC000894287910 964222275 /nfs/dbraw/zinc/22/22/75/964222275.db2.gz YQSHXYOCKRJVJM-NHQZAOEJSA-N 0 0 359.470 2.701 20 10 FFCDRN CCc1nc(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cs1 ZINC000098094029 1013478211 /nfs/dbraw/zinc/47/82/11/1013478211.db2.gz IOMZVEAHADPKQA-UHFFFAOYSA-N 0 0 373.522 2.773 20 10 FFCDRN COc1ccc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)c(O)c1OC ZINC000891472808 964358329 /nfs/dbraw/zinc/35/83/29/964358329.db2.gz ZCBGWQYITBWDIX-UHFFFAOYSA-N 0 0 373.409 2.640 20 10 FFCDRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000051231776 964420374 /nfs/dbraw/zinc/42/03/74/964420374.db2.gz IMPDAZXZWXDNLD-SJLPKXTDSA-N 0 0 374.529 2.979 20 10 FFCDRN Nc1c(C(=O)NCc2ccc(N3CCSCC3)cc2)cccc1[N+](=O)[O-] ZINC000176040650 964657637 /nfs/dbraw/zinc/65/76/37/964657637.db2.gz YBUGKBCWFGSWDW-UHFFFAOYSA-N 0 0 372.450 2.660 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)c3cccc(F)c3F)cc2)CC1 ZINC000894597696 965510938 /nfs/dbraw/zinc/51/09/38/965510938.db2.gz OTQRVFBCAPVMIY-UHFFFAOYSA-N 0 0 373.403 2.597 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cs1 ZINC000873675815 1013585118 /nfs/dbraw/zinc/58/51/18/1013585118.db2.gz RCJNORTVRZGSLI-MRXNPFEDSA-N 0 0 374.462 2.908 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C(=O)Nc3ccsc3C)CC2)cc1 ZINC000873684830 1013590878 /nfs/dbraw/zinc/59/08/78/1013590878.db2.gz GNOSGBNWHZDMLF-UHFFFAOYSA-N 0 0 373.478 2.743 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)Nc2ccc(C3CC3)cc2F)c1 ZINC000873713087 1013605497 /nfs/dbraw/zinc/60/54/97/1013605497.db2.gz GHYPWIJRCMMANU-UHFFFAOYSA-N 0 0 358.369 2.672 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(C(F)F)ncn3)CC2)cc1F ZINC000934406717 966425989 /nfs/dbraw/zinc/42/59/89/966425989.db2.gz VJAAPJRRBXGLGO-UHFFFAOYSA-N 0 0 366.343 2.524 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ocnc1C(F)(F)F ZINC000873862282 1013666447 /nfs/dbraw/zinc/66/64/47/1013666447.db2.gz JZIRYSOIQFYVBA-UHFFFAOYSA-N 0 0 369.343 2.802 20 10 FFCDRN COc1ccccc1OCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065560799 966660097 /nfs/dbraw/zinc/66/00/97/966660097.db2.gz GMXHRWMANGPNCA-MRXNPFEDSA-N 0 0 370.449 2.788 20 10 FFCDRN Cc1cc(Cl)ncc1NC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000161344939 966724887 /nfs/dbraw/zinc/72/48/87/966724887.db2.gz RPENWUKTEMEACI-UHFFFAOYSA-N 0 0 370.840 2.675 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)[C@@H](c1nc[nH]n1)c1ccccc1 ZINC000894961057 967122835 /nfs/dbraw/zinc/12/28/35/967122835.db2.gz PBKDPTGCRWSXJJ-HXUWFJFHSA-N 0 0 363.465 2.863 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCN(Cc3ccccc3)C2=O)c1 ZINC000934940493 967536601 /nfs/dbraw/zinc/53/66/01/967536601.db2.gz NNYDFVAXBWGSKA-PBHICJAKSA-N 0 0 368.433 2.627 20 10 FFCDRN CC(C)(C)OC(=O)NC1(CC(=O)NCc2cccc(O)c2O)CCC1 ZINC001176566526 1013733545 /nfs/dbraw/zinc/73/35/45/1013733545.db2.gz ZOGHUGNEPOFCIN-UHFFFAOYSA-N 0 0 350.415 2.552 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1CCCN1C(=O)NC(C)C ZINC000161869291 967683605 /nfs/dbraw/zinc/68/36/05/967683605.db2.gz ZIUOSRLWONHAIV-SFHVURJKSA-N 0 0 360.502 2.684 20 10 FFCDRN CC[C@@H]1CCc2nc(NC(=O)C(=O)N3Cc4cccc(O)c4C3)sc2C1 ZINC000874099814 1013759183 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O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)N[C@@H]1C[C@H]2CCC[C@@H]21 ZINC000895290849 968988915 /nfs/dbraw/zinc/98/89/15/968988915.db2.gz BYNLDKWDRXFJFV-JKIFEVAISA-N 0 0 365.424 2.789 20 10 FFCDRN C[C@@H](NC(=O)N1CCN(Cc2cscn2)CC1)c1ccc(N(C)C)cc1 ZINC000773614603 1013852921 /nfs/dbraw/zinc/85/29/21/1013852921.db2.gz AXUGJHBKORUBQZ-OAHLLOKOSA-N 0 0 373.526 2.798 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(F)cc4nc[nH]c43)CC2)cc1F ZINC000177278569 969157600 /nfs/dbraw/zinc/15/76/00/969157600.db2.gz JFWCMLZUPATXPH-UHFFFAOYSA-N 0 0 372.375 2.812 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000177280331 969157799 /nfs/dbraw/zinc/15/77/99/969157799.db2.gz PDUQYMJZDPIJBW-UHFFFAOYSA-N 0 0 373.384 2.634 20 10 FFCDRN C[C@@H](NC(=O)N1CCC[C@H](N2CCCC2=O)C1)c1ccc(N(C)C)cc1 ZINC000773618161 1013859110 /nfs/dbraw/zinc/85/91/10/1013859110.db2.gz IFGDVXLNCDJYEC-QAPCUYQASA-N 0 0 358.486 2.610 20 10 FFCDRN Cc1cc(CN2CCN(C(=O)N[C@H](C)c3ccc(N(C)C)cc3)CC2)no1 ZINC000773611701 1013859886 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Cc1ccc(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)c(O)c1 ZINC000877659521 1014664016 /nfs/dbraw/zinc/66/40/16/1014664016.db2.gz VJBDPNWRCHHUEV-HNKHHVNMSA-N 0 0 368.399 2.932 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=S)NC3CCCCC3)cc2)CC1 ZINC000905578127 980470445 /nfs/dbraw/zinc/47/04/45/980470445.db2.gz AYOFPPHLGFDOOJ-UHFFFAOYSA-N 0 0 374.554 2.685 20 10 FFCDRN Cc1cccc(O)c1C[N@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)C(F)(F)F)C1 ZINC000877659111 1014664504 /nfs/dbraw/zinc/66/45/04/1014664504.db2.gz JLCFDGZNISQUCX-TUUVXOQKSA-N 0 0 368.399 2.932 20 10 FFCDRN Cn1nnc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1C(F)(F)F ZINC000906435488 980650642 /nfs/dbraw/zinc/65/06/42/980650642.db2.gz WXJKUWSMCSEFFC-UHFFFAOYSA-N 0 0 367.375 2.754 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Nc2c3ncnn3ccc2C)cc1 ZINC000888208082 981090940 /nfs/dbraw/zinc/09/09/40/981090940.db2.gz HLLPYRFVOPQPCV-UHFFFAOYSA-N 0 0 368.441 2.646 20 10 FFCDRN CN(C)c1ccc(CN(C2CC2)S(=O)(=O)c2cnc3n2CCCC3)cc1 ZINC000906855291 981160610 /nfs/dbraw/zinc/16/06/10/981160610.db2.gz ZGZPNDKADCQSAN-UHFFFAOYSA-N 0 0 374.510 2.639 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@H]3C[C@@H](C(C)=O)C3(C)C)CC2)cc1 ZINC000129196918 981456398 /nfs/dbraw/zinc/45/63/98/981456398.db2.gz RCVYJKOUKGJWBW-RBUKOAKNSA-N 0 0 358.482 2.985 20 10 FFCDRN C[C@@H]1[C@@H](NC(=O)c2ccc(N=NC(N)=O)cc2)CCN1C(=O)/C=C\C1CC1 ZINC000988680184 981531993 /nfs/dbraw/zinc/53/19/93/981531993.db2.gz OKLJQYXJLDZXLC-AYRVVWLPSA-N 0 0 369.425 2.534 20 10 FFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000054628412 981599715 /nfs/dbraw/zinc/59/97/15/981599715.db2.gz ITNKQHOCEJKURY-UHFFFAOYSA-N 0 0 372.388 2.761 20 10 FFCDRN Cc1cccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1F ZINC000760378074 982381870 /nfs/dbraw/zinc/38/18/70/982381870.db2.gz LYQURDWMSMRDAC-INIZCTEOSA-N 0 0 369.440 2.766 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cn(C)c(=O)c3ccccc23)c1 ZINC000760453670 982412667 /nfs/dbraw/zinc/41/26/67/982412667.db2.gz GAEJDBDQEMOXEG-LBPRGKRZSA-N 0 0 352.390 2.744 20 10 FFCDRN CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NCCc2ccc(N)cc2)C1 ZINC000841956840 982467083 /nfs/dbraw/zinc/46/70/83/982467083.db2.gz KEBCQGDLTZPRGQ-NVXWUHKLSA-N 0 0 360.502 2.538 20 10 FFCDRN CCNC(=O)COc1ccc(NC(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000878154258 1014885079 /nfs/dbraw/zinc/88/50/79/1014885079.db2.gz RWJJSHSYCHCUMT-CYBMUJFWSA-N 0 0 357.410 2.790 20 10 FFCDRN CCCNC(=O)C1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC001595916100 983023129 /nfs/dbraw/zinc/02/31/29/983023129.db2.gz MBOFCLWZTJXCGW-UHFFFAOYSA-N 0 0 370.449 2.982 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)CCc3ccc(OC)nc3)CC2)cc1 ZINC000888754300 1014946208 /nfs/dbraw/zinc/94/62/08/1014946208.db2.gz DESWZBOHMUOWQI-UHFFFAOYSA-N 0 0 369.465 2.817 20 10 FFCDRN CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cc(C)n(-c3ccccn3)c2C)C1 ZINC000129356991 983858559 /nfs/dbraw/zinc/85/85/59/983858559.db2.gz KDGICAYZANYRGS-CVEARBPZSA-N 0 0 355.438 2.951 20 10 FFCDRN CCC1(C(=O)N2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)CCC1 ZINC000185488977 983894417 /nfs/dbraw/zinc/89/44/17/983894417.db2.gz AIFCWUQVHGWWHK-UHFFFAOYSA-N 0 0 362.470 2.941 20 10 FFCDRN COc1ccccc1NC(=O)CN(C)Cc1ccc(N2CCOCC2)cc1 ZINC000072878897 983897758 /nfs/dbraw/zinc/89/77/58/983897758.db2.gz NKVIAQQDEHKFRW-UHFFFAOYSA-N 0 0 369.465 2.602 20 10 FFCDRN Cc1cc(C(=O)N2CCN3C(=O)OC[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000763887159 983912096 /nfs/dbraw/zinc/91/20/96/983912096.db2.gz HRUWUNVJRIFQOS-QGZVFWFLSA-N 0 0 353.422 2.679 20 10 FFCDRN CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000785423300 983916345 /nfs/dbraw/zinc/91/63/45/983916345.db2.gz WCEZBIUVVOZUHC-FQEVSTJZSA-N 0 0 367.493 2.925 20 10 FFCDRN Cc1c[nH]c(=O)c(CNC(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC000912079537 983955325 /nfs/dbraw/zinc/95/53/25/983955325.db2.gz OOYVIPXEBSKPQT-UHFFFAOYSA-N 0 0 372.494 2.648 20 10 FFCDRN CCC[C@H]1CCCN1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000912209687 983983215 /nfs/dbraw/zinc/98/32/15/983983215.db2.gz XUXDFCBTPLFGEL-HKUYNNGSSA-N 0 0 372.513 2.862 20 10 FFCDRN CCn1nc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)cc1C1CC1 ZINC000912709268 984094384 /nfs/dbraw/zinc/09/43/84/984094384.db2.gz FGJXJEHFZKCYLG-UHFFFAOYSA-N 0 0 368.481 2.672 20 10 FFCDRN Cc1cc(C(=O)NC(C)(C)CCN2CCOCC2)c(C)n1-c1ccccn1 ZINC000912954041 984157151 /nfs/dbraw/zinc/15/71/51/984157151.db2.gz DXCYTADTWDWSRA-UHFFFAOYSA-N 0 0 370.497 2.720 20 10 FFCDRN Cc1cc(CC(=O)N2CCC([C@@H](F)C(N)=O)CC2)c(C)n1-c1ccccc1 ZINC000913101319 984187090 /nfs/dbraw/zinc/18/70/90/984187090.db2.gz BCLLSBVGHMMNDH-HXUWFJFHSA-N 0 0 371.456 2.699 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NC1CCN(C(=O)c2ccccc2)CC1 ZINC000045273280 984414701 /nfs/dbraw/zinc/41/47/01/984414701.db2.gz AOIJXXCICVHKKR-UHFFFAOYSA-N 0 0 367.449 2.838 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)c3ccc(C)cc3C)CC2)cc1 ZINC000056965692 984471181 /nfs/dbraw/zinc/47/11/81/984471181.db2.gz XMLXLDOWGHMCBX-UHFFFAOYSA-N 0 0 367.493 2.864 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 ZINC000057117674 984477446 /nfs/dbraw/zinc/47/74/46/984477446.db2.gz 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Cc1ccccc1CS(=O)(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851843945 1005917437 /nfs/dbraw/zinc/91/74/37/1005917437.db2.gz LXFHAFSOQMRWKC-UHFFFAOYSA-N 0 0 374.506 2.576 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NCCc3cccc(F)c3)C2)cc1 ZINC000851924933 1005923111 /nfs/dbraw/zinc/92/31/11/1005923111.db2.gz QLKCLRDNQSRKNY-KRWDZBQOSA-N 0 0 357.429 2.955 20 10 FFCDRN CCCCOCCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000851970915 1005927935 /nfs/dbraw/zinc/92/79/35/1005927935.db2.gz KTYIBVLYWUZTRF-UHFFFAOYSA-N 0 0 363.502 2.654 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@]12OCCC[C@H]1C2(F)F ZINC000851986722 1005929563 /nfs/dbraw/zinc/92/95/63/1005929563.db2.gz FTQKZXIHSAIFMN-AEFFLSMTSA-N 0 0 365.424 2.900 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@H]4CCCO[C@H]4C3(C)C)C2)cc1 ZINC000852144436 1005945390 /nfs/dbraw/zinc/94/53/90/1005945390.db2.gz POZJUFGZUUPQEI-JEDBISTDSA-N 0 0 373.497 2.777 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc4c(c3)COC4)C2)cc1 ZINC000852220401 1005952549 /nfs/dbraw/zinc/95/25/49/1005952549.db2.gz QCZABRWNGDJUCK-GOSISDBHSA-N 0 0 367.449 2.804 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)C2)cc1 ZINC000852227639 1005953551 /nfs/dbraw/zinc/95/35/51/1005953551.db2.gz UHTIBOHLFUOINN-WQANXHIZSA-N 0 0 371.481 2.531 20 10 FFCDRN CC(=O)NCc1ccc(CNC(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000852260866 1005958393 /nfs/dbraw/zinc/95/83/93/1005958393.db2.gz FLDPDUFWRQSUHF-HNNXBMFYSA-N 0 0 368.481 2.949 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCC3(OC)CCCCC3)C2)cc1 ZINC000852284595 1005962586 /nfs/dbraw/zinc/96/25/86/1005962586.db2.gz OOQSJEQWZRLOJN-MRXNPFEDSA-N 0 0 361.486 2.922 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@H]1C[C@H](C)n2ncnc21 ZINC000852384083 1006000124 /nfs/dbraw/zinc/00/01/24/1006000124.db2.gz UEEVBWCBGGKIBM-ZQIUZPCESA-N 0 0 356.474 2.589 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CC4(CCC4)OC[C@@H]3C)C2)cc1 ZINC000852387411 1006002542 /nfs/dbraw/zinc/00/25/42/1006002542.db2.gz RWTOIQMZZBHVNS-IRXDYDNUSA-N 0 0 373.497 2.875 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N3CC4(CCC4)OC[C@H]3C)C2)cc1 ZINC000852387413 1006002743 /nfs/dbraw/zinc/00/27/43/1006002743.db2.gz RWTOIQMZZBHVNS-SJORKVTESA-N 0 0 373.497 2.875 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3C[C@@H](C)OC4(CCC4)C3)C2)cc1 ZINC000852447668 1006028757 /nfs/dbraw/zinc/02/87/57/1006028757.db2.gz COKMXSCHWGLWKD-CVEARBPZSA-N 0 0 359.470 2.627 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CC(C)(C)[C@@H]3[C@@H]3CCCO3)C2)cc1 ZINC000852449396 1006030887 /nfs/dbraw/zinc/03/08/87/1006030887.db2.gz RYQKYVLSAJMOFH-SNRMKQJTSA-N 0 0 373.497 2.873 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)N3CCC[C@@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000852453953 1006034352 /nfs/dbraw/zinc/03/43/52/1006034352.db2.gz MQRSRAZAQWCIKZ-SQNIBIBYSA-N 0 0 373.497 2.732 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000852453525 1006034382 /nfs/dbraw/zinc/03/43/82/1006034382.db2.gz DNIVIPLSMXFNCA-INIZCTEOSA-N 0 0 355.438 2.782 20 10 FFCDRN COc1cccc(OC)c1CNC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000852489572 1006051571 /nfs/dbraw/zinc/05/15/71/1006051571.db2.gz JJNHVFQVMHUFOD-UHFFFAOYSA-N 0 0 361.417 2.908 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCC(C)(C)OCCO)c2C)cc1 ZINC000813841059 1006063340 /nfs/dbraw/zinc/06/33/40/1006063340.db2.gz GZSDNOOPODLNPH-UHFFFAOYSA-N 0 0 360.454 2.620 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2c(C3CCC3)cnn2C)c1 ZINC000852608992 1006104192 /nfs/dbraw/zinc/10/41/92/1006104192.db2.gz RGGTUQWJYBNIJH-LBPRGKRZSA-N 0 0 358.442 2.962 20 10 FFCDRN C[C@H]1COC2(CCCC2)CN1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000852637862 1006116406 /nfs/dbraw/zinc/11/64/06/1006116406.db2.gz ICNPFAZWRJFBPP-KRWDZBQOSA-N 0 0 359.514 2.745 20 10 FFCDRN CCOC(=O)[C@]1(C)CCC[C@H]1NC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000852691601 1006142697 /nfs/dbraw/zinc/14/26/97/1006142697.db2.gz IZTYFNMTIXQPFN-JOKNJTHLSA-N 0 0 364.442 2.883 20 10 FFCDRN CCOC(=O)CN1C(=O)/C(=C/c2cnn(CC(F)F)c2)c2ccccc21 ZINC000814183364 1006192611 /nfs/dbraw/zinc/19/26/11/1006192611.db2.gz TYHQFYDEMCQVTO-VGOFMYFVSA-N 0 0 361.348 2.599 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COc3cc(F)cc(F)c3)CC2)cc1 ZINC000129181166 1006192988 /nfs/dbraw/zinc/19/29/88/1006192988.db2.gz ZOAFJSFROVVBAI-UHFFFAOYSA-N 0 0 362.376 2.701 20 10 FFCDRN CCOC(=O)CN1C(=O)/C(=C\c2cnn(CC(F)F)c2)c2ccccc21 ZINC000814183362 1006193555 /nfs/dbraw/zinc/19/35/55/1006193555.db2.gz TYHQFYDEMCQVTO-AUWJEWJLSA-N 0 0 361.348 2.599 20 10 FFCDRN CC(C)(C)c1nnc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000881832636 1006234259 /nfs/dbraw/zinc/23/42/59/1006234259.db2.gz CFESHGQQXUTPHX-AWEZNQCLSA-N 0 0 357.458 2.681 20 10 FFCDRN CCOC(=O)c1cc(N2CCCN(c3ccc(OC)cc3)CC2)nc(C)n1 ZINC000881833111 1006235056 /nfs/dbraw/zinc/23/50/56/1006235056.db2.gz WZIQEEWBLFMAQS-UHFFFAOYSA-N 0 0 370.453 2.687 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nc(C2CCOCC2)ns1 ZINC000853095964 1006295022 /nfs/dbraw/zinc/29/50/22/1006295022.db2.gz HIXPHBJZGKUOMH-UHFFFAOYSA-N 0 0 374.510 2.905 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)NC[C@@H]1Cc2ccccc21 ZINC000853470688 1006401935 /nfs/dbraw/zinc/40/19/35/1006401935.db2.gz PTMDLQVXDVAMMN-SFHVURJKSA-N 0 0 365.477 2.787 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2cccc(C(F)(F)F)c2)c1O ZINC000129879519 1006481537 /nfs/dbraw/zinc/48/15/37/1006481537.db2.gz XWVJPWRKBYGIDX-UHFFFAOYSA-N 0 0 368.311 2.675 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)Nc2cccc(-n3ccnn3)c2)c1 ZINC000130109684 1006504789 /nfs/dbraw/zinc/50/47/89/1006504789.db2.gz DOZUEBOWAALBDY-GFCCVEGCSA-N 0 0 353.382 2.864 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCOc2ccc(O)cc2C1 ZINC000853749486 1006525472 /nfs/dbraw/zinc/52/54/72/1006525472.db2.gz UCTLAKXBLOYPOX-UHFFFAOYSA-N 0 0 355.438 2.871 20 10 FFCDRN COc1ccc(N2CC[C@H](Nc3ccc([N+](=O)[O-])c4nonc43)C2)cc1 ZINC000853759035 1006527346 /nfs/dbraw/zinc/52/73/46/1006527346.db2.gz NKWKLYMYOKHPMM-NSHDSACASA-N 0 0 355.354 2.830 20 10 FFCDRN CCOC(=O)c1cnc(N[C@H]2CCN(c3ccc(OC)cc3)C2)nc1C ZINC000853759062 1006527354 /nfs/dbraw/zinc/52/73/54/1006527354.db2.gz OKPZYVFGLBKXDJ-AWEZNQCLSA-N 0 0 356.426 2.661 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@H](CCO)c3ccccc3)C2)cc1 ZINC000853778276 1006533669 /nfs/dbraw/zinc/53/36/69/1006533669.db2.gz BMQJXIUIHKMWIX-YLJYHZDGSA-N 0 0 369.465 2.697 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCC1(O)CCC(F)(F)CC1 ZINC000853776324 1006534074 /nfs/dbraw/zinc/53/40/74/1006534074.db2.gz ORGAYZYDIHPENA-UHFFFAOYSA-N 0 0 365.424 2.802 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)NC[C@@H](CCO)CC(C)C)C2)cc1 ZINC000853811191 1006541747 /nfs/dbraw/zinc/54/17/47/1006541747.db2.gz WUHUZGDNDWCNBN-IRXDYDNUSA-N 0 0 363.502 2.618 20 10 FFCDRN Cn1ccn2c(COc3ccc(N4CCCCC4)c(Cl)c3)nnc2c1=O ZINC000882994083 1006591625 /nfs/dbraw/zinc/59/16/25/1006591625.db2.gz SAZRZQRKCUXYIF-UHFFFAOYSA-N 0 0 373.844 2.651 20 10 FFCDRN CCCNC(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)nc1 ZINC000853955261 1006599549 /nfs/dbraw/zinc/59/95/49/1006599549.db2.gz BGDPEBTUBWHNBG-UHFFFAOYSA-N 0 0 368.481 2.795 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@@H]2CCNC(=O)CC2)c(C)n1-c1ccccc1 ZINC000815419940 1006609775 /nfs/dbraw/zinc/60/97/75/1006609775.db2.gz HHEPADOPTPMYHL-INIZCTEOSA-N 0 0 368.433 2.736 20 10 FFCDRN C[C@@H](NC(=O)N[C@@H](c1nccn1C)C(C)(C)CO)c1ccc(N(C)C)cc1 ZINC000854002547 1006624240 /nfs/dbraw/zinc/62/42/40/1006624240.db2.gz BWZXSVPZNAZXCD-PBHICJAKSA-N 0 0 373.501 2.606 20 10 FFCDRN OC1CCN(c2ccc(CNc3cn(Cc4ccccc4)nn3)cc2)CC1 ZINC000883118158 1006656356 /nfs/dbraw/zinc/65/63/56/1006656356.db2.gz PNMZWNVMVKXJLE-UHFFFAOYSA-N 0 0 363.465 2.900 20 10 FFCDRN C[C@H](NC(=O)NC1CCC2(COC2)CC1)c1ccc(N2CCOCC2)cc1 ZINC000883208681 1006703911 /nfs/dbraw/zinc/70/39/11/1006703911.db2.gz LYGRZMZNTPBXOQ-INIZCTEOSA-N 0 0 373.497 2.843 20 10 FFCDRN COC(=O)N1CCN(c2ccc(N[C@H](C)c3ccccc3O)cn2)CC1 ZINC000815655382 1006739802 /nfs/dbraw/zinc/73/98/02/1006739802.db2.gz QNSSKOXEXISWRD-CQSZACIVSA-N 0 0 356.426 2.849 20 10 FFCDRN Cc1cc(CC(=O)N2CCC(C(=O)N(C)C)CC2)c(C)n1-c1ccccc1 ZINC000854252268 1006740891 /nfs/dbraw/zinc/74/08/91/1006740891.db2.gz UVSYXRMMUAQFNQ-UHFFFAOYSA-N 0 0 367.493 2.963 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N3CCCC[C@H]3c3cc[nH]n3)C2)cc1 ZINC000854296669 1006763079 /nfs/dbraw/zinc/76/30/79/1006763079.db2.gz FVJUCPWKIGHPNT-BEFAXECRSA-N 0 0 369.469 2.934 20 10 FFCDRN COC[C@@H]1CCCCN(C(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)C1 ZINC000854299295 1006764723 /nfs/dbraw/zinc/76/47/23/1006764723.db2.gz NJRIULGWRKZNGQ-SJORKVTESA-N 0 0 361.486 2.732 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc2c1NC(=O)C2=O ZINC001152457293 1032170543 /nfs/dbraw/zinc/17/05/43/1032170543.db2.gz VFTRDXFIWDDBHO-UHFFFAOYSA-N 0 0 351.406 2.550 20 10 FFCDRN Cc1cc(CC(=O)NC[C@H]2CCCS(=O)(=O)C2)c(C)n1-c1ccccc1 ZINC000854469698 1006844981 /nfs/dbraw/zinc/84/49/81/1006844981.db2.gz AHVYXBUKINNMHJ-QGZVFWFLSA-N 0 0 374.506 2.578 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@H](C)CCc2ccco2)cc1 ZINC000775225393 1006952178 /nfs/dbraw/zinc/95/21/78/1006952178.db2.gz PVUQSGIQINJKSX-MRXNPFEDSA-N 0 0 371.481 2.880 20 10 FFCDRN Cc1cc(C(=O)OC[C@H]2COc3cccnc3O2)c(C)n1-c1ccccn1 ZINC000816369242 1007018677 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Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@@H](C(N)=O)CC[C@H]2C)c1 ZINC000858580329 1008385665 /nfs/dbraw/zinc/38/56/65/1008385665.db2.gz NEQMKWOWUUSNKQ-DYVFJYSZSA-N 0 0 367.449 2.633 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2C[C@H](C(N)=O)CC[C@H]2C)c1 ZINC000858580327 1008385866 /nfs/dbraw/zinc/38/58/66/1008385866.db2.gz NEQMKWOWUUSNKQ-CXAGYDPISA-N 0 0 367.449 2.633 20 10 FFCDRN C[C@@H]1C[C@@H](NC(c2ccnn2C)c2ccnn2C)c2c1c(F)ccc2O ZINC000858584351 1008386291 /nfs/dbraw/zinc/38/62/91/1008386291.db2.gz RQXIZJBAWRUNPG-DGCLKSJQSA-N 0 0 355.417 2.926 20 10 FFCDRN Cc1cc(CNC(=O)NCC[C@]2(O)CCOC2)c(C)n1-c1cccc(C)c1 ZINC000858583916 1008386408 /nfs/dbraw/zinc/38/64/08/1008386408.db2.gz JCGNCAVDXQZSAU-NRFANRHFSA-N 0 0 371.481 2.743 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CNC(=O)c3ccccc32)cc1 ZINC000858605593 1008389388 /nfs/dbraw/zinc/38/93/88/1008389388.db2.gz VFZVPZQGBOXZQD-LJQANCHMSA-N 0 0 351.450 2.676 20 10 FFCDRN CO[C@H](CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C)[C@H]1CCOC1 ZINC000858601919 1008389616 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FFCDRN O=C(Cc1ccc2cnccc2c1)NCc1ccc(N2CCOCC2)cc1 ZINC000858724861 1008408916 /nfs/dbraw/zinc/40/89/16/1008408916.db2.gz UYEPFOZNIJNBDI-UHFFFAOYSA-N 0 0 361.445 2.930 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2nnc([C@@H]3CC[C@H](C)O3)n2C)cc1 ZINC000858875345 1008443645 /nfs/dbraw/zinc/44/36/45/1008443645.db2.gz ACJBQCPWRWGVQK-YOEHRIQHSA-N 0 0 359.474 2.636 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2ccc3oc(=O)n(C)c3c2)cc1 ZINC000858899755 1008446961 /nfs/dbraw/zinc/44/69/61/1008446961.db2.gz FDVMTTJHKSMGKF-UHFFFAOYSA-N 0 0 368.437 2.539 20 10 FFCDRN Cc1cc(CNC(=O)N2CCO[C@]3(CCOC3)C2)c(C)n1-c1ccccc1 ZINC000858906085 1008447294 /nfs/dbraw/zinc/44/72/94/1008447294.db2.gz OMJIHFOOSIUTDC-OAQYLSRUSA-N 0 0 369.465 2.795 20 10 FFCDRN C[C@H](C(=O)NCc1ccc2c(c1)CCCN2C)N1Cc2ccccc2C1=O ZINC001136436798 1008447600 /nfs/dbraw/zinc/44/76/00/1008447600.db2.gz KOSXGLHTDNKNLC-OAHLLOKOSA-N 0 0 363.461 2.730 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)ccc21 ZINC001136436901 1008447746 /nfs/dbraw/zinc/44/77/46/1008447746.db2.gz OVGHUYUATUMVEX-CALCHBBNSA-N 0 0 373.497 2.989 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N2CCCC[C@H]2CC(N)=O)c1 ZINC000858924939 1008451209 /nfs/dbraw/zinc/45/12/09/1008451209.db2.gz UUJQNKFZOKDCRH-SFHVURJKSA-N 0 0 367.449 2.777 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)c1ccncc1 ZINC000805766806 1008464071 /nfs/dbraw/zinc/46/40/71/1008464071.db2.gz PZPULVIZSSZSAZ-UHFFFAOYSA-N 0 0 369.465 2.620 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)NCCOC[C@@H]1CCCO1 ZINC000859408778 1008511581 /nfs/dbraw/zinc/51/15/81/1008511581.db2.gz GWDYAKNEKZNLFX-SFHVURJKSA-N 0 0 370.449 2.832 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H](Cc3ccccc3)OC)CC2)cc1 ZINC000822197030 1008536889 /nfs/dbraw/zinc/53/68/89/1008536889.db2.gz HUJYPXIBHIPNPG-HXUWFJFHSA-N 0 0 354.450 2.602 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ccc4[nH]cnc4c3)C2)cc1 ZINC000822365086 1008604610 /nfs/dbraw/zinc/60/46/10/1008604610.db2.gz NTTMQBPBPRVPTB-CQSZACIVSA-N 0 0 350.422 2.828 20 10 FFCDRN 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/nfs/dbraw/zinc/71/94/79/1008719479.db2.gz YMBLMSACAQRIFC-CQSZACIVSA-N 0 0 367.440 2.686 20 10 FFCDRN COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3c([O-])cccc3F)C2=O)cc1 ZINC000886547723 1008731599 /nfs/dbraw/zinc/73/15/99/1008731599.db2.gz QMJOBQWEJZDMRE-GUYCJALGSA-N 0 0 358.413 2.992 20 10 FFCDRN C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1c(O)cccc1F ZINC000886582694 1008752319 /nfs/dbraw/zinc/75/23/19/1008752319.db2.gz HGRIKBHHGMXNPO-CQSZACIVSA-N 0 0 373.428 2.975 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N[C@@H]1C[C@]1(F)c1ccccc1 ZINC000822755965 1008757526 /nfs/dbraw/zinc/75/75/26/1008757526.db2.gz ONGWFAFLDZURBI-CTNGQTDRSA-N 0 0 369.440 2.960 20 10 FFCDRN COC(=O)N(C)CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000822789748 1008763751 /nfs/dbraw/zinc/76/37/51/1008763751.db2.gz LYDMXOGAVKASPW-UHFFFAOYSA-N 0 0 363.458 2.935 20 10 FFCDRN CN1CCCc2cc(CNC(=O)C[C@H]3COc4ccccc4O3)ccc21 ZINC000822867548 1008804077 /nfs/dbraw/zinc/80/40/77/1008804077.db2.gz BMCLKUAAUWBIDP-KRWDZBQOSA-N 0 0 352.434 2.915 20 10 FFCDRN 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/nfs/dbraw/zinc/94/68/72/1008946872.db2.gz IHCQOPZMWRFPOF-UHFFFAOYSA-N 0 0 356.403 2.949 20 10 FFCDRN CC(C)[C@@H]1C[C@@H](C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000826532322 1008987874 /nfs/dbraw/zinc/98/78/74/1008987874.db2.gz YUTPOTOFNJGVCZ-PXNSSMCTSA-N 0 0 360.498 2.715 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)Nc2ccc(CN3CCOC3=O)cc2)c1 ZINC000860486703 1009028148 /nfs/dbraw/zinc/02/81/48/1009028148.db2.gz GIMQZDCEVMOMKX-UHFFFAOYSA-N 0 0 355.394 2.975 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCC[C@H]3CCCCO3)C2)cc1 ZINC000823455689 1009069482 /nfs/dbraw/zinc/06/94/82/1009069482.db2.gz MIRBQBIHTLHEQC-VQIMIIECSA-N 0 0 361.486 2.780 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N[C@H](C)[C@@H]3CCCOC3)C2)cc1 ZINC000823457382 1009070682 /nfs/dbraw/zinc/07/06/82/1009070682.db2.gz YGGZDUZKLSHJFA-BRWVUGGUSA-N 0 0 361.486 2.636 20 10 FFCDRN COCCC(C)(C)CNC(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000823461673 1009073083 /nfs/dbraw/zinc/07/30/83/1009073083.db2.gz MFMXOIKHDJOVQN-INIZCTEOSA-N 0 0 363.502 2.883 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCC1(F)F ZINC000823524789 1009098173 /nfs/dbraw/zinc/09/81/73/1009098173.db2.gz XKZNHVIKXOKRNA-AWEZNQCLSA-N 0 0 367.440 2.834 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@@]2(C)CO)cc1 ZINC000860806701 1009157390 /nfs/dbraw/zinc/15/73/90/1009157390.db2.gz VBTZVYAKOLIREA-NRFANRHFSA-N 0 0 354.450 2.823 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CCC[C@]2(C)CO)cc1 ZINC000860806702 1009157599 /nfs/dbraw/zinc/15/75/99/1009157599.db2.gz VBTZVYAKOLIREA-OAQYLSRUSA-N 0 0 354.450 2.823 20 10 FFCDRN CCCc1ncc(CNC(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)o1 ZINC000823681370 1009185059 /nfs/dbraw/zinc/18/50/59/1009185059.db2.gz WCPWLJPJIMQNCM-HNNXBMFYSA-N 0 0 372.469 2.961 20 10 FFCDRN C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1c(O)cccc1O ZINC001178912676 1009190704 /nfs/dbraw/zinc/19/07/04/1009190704.db2.gz WIPUWKROTIJOQP-JTQLQIEISA-N 0 0 366.211 2.944 20 10 FFCDRN COc1ccc2c(c1)CC[C@@H](CC(=O)NCC(=O)c1ccc(O)c(O)c1)C2 ZINC001178919191 1009194236 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CN(Cc1ccccc1O)C(=O)C(=O)N(Cc1ccc(F)cc1F)C1CC1 ZINC001325589424 1046568833 /nfs/dbraw/zinc/56/88/33/1046568833.db2.gz DGWNPXYKQYIAQV-UHFFFAOYSA-N 0 0 374.387 2.820 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCC(O)(Cc3ccccc3F)CC2)cc1 ZINC001325681731 1046609082 /nfs/dbraw/zinc/60/90/82/1046609082.db2.gz NTCWUIFSLDKEBQ-UHFFFAOYSA-N 0 0 371.456 2.730 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCC[C@@H]3CCOC3)CC2)cc1 ZINC001325718492 1046622170 /nfs/dbraw/zinc/62/21/70/1046622170.db2.gz IUEAMUGHJSADOZ-INIZCTEOSA-N 0 0 364.511 2.504 20 10 FFCDRN CCN1C(=S)N=NC1CCNC(=O)c1ccc(-n2c(C)ccc2C)cc1 ZINC000730101386 1047059298 /nfs/dbraw/zinc/05/92/98/1047059298.db2.gz BFKJEPORZUOJEK-UHFFFAOYSA-N 0 0 369.494 2.967 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccn(CC(F)F)n3)CC2)cc1 ZINC001326744020 1047065029 /nfs/dbraw/zinc/06/50/29/1047065029.db2.gz DNMJGFRHOPHMSN-UHFFFAOYSA-N 0 0 364.396 2.509 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@H](F)C1 ZINC001326923108 1047135655 /nfs/dbraw/zinc/13/56/55/1047135655.db2.gz KLLBXNMRBQYKAC-IRXDYDNUSA-N 0 0 363.477 2.887 20 10 FFCDRN CCOC(=O)c1ncc(C(=O)NCc2ccc(N3CCCC3)cc2)s1 ZINC001327230372 1047244282 /nfs/dbraw/zinc/24/42/82/1047244282.db2.gz IBTCAZFDXAPITO-UHFFFAOYSA-N 0 0 359.451 2.850 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000731453111 1047293395 /nfs/dbraw/zinc/29/33/95/1047293395.db2.gz CPMWVWXNHJPPFH-UHFFFAOYSA-N 0 0 373.384 2.843 20 10 FFCDRN CCN1C[C@@H](C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CC1=O ZINC001287659792 1047333042 /nfs/dbraw/zinc/33/30/42/1047333042.db2.gz DUITUOLTMIQNFA-SFHVURJKSA-N 0 0 353.466 2.887 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@]2(C)Oc3ccccc3NC2=O)cc1 ZINC001540518354 1070914421 /nfs/dbraw/zinc/91/44/21/1070914421.db2.gz LICKHRYRZFBHDG-HXUWFJFHSA-N 0 0 353.422 2.501 20 10 FFCDRN Cc1cc(CC(=O)N[C@@]2(C)CCNC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC001289257643 1047608816 /nfs/dbraw/zinc/60/88/16/1047608816.db2.gz CXNPWYUHLWYGCG-IBGZPJMESA-N 0 0 359.857 2.685 20 10 FFCDRN Cc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2CC2(O)CC2)o1 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Nc1c(C(=O)NCc2ccccc2O)cc(Br)cc1[N+](=O)[O-] ZINC001340050661 1050461191 /nfs/dbraw/zinc/46/11/91/1050461191.db2.gz IXTMLSNWKNWMIN-UHFFFAOYSA-N 0 0 366.171 2.575 20 10 FFCDRN CO[C@@H]1CN(c2nnc(C3Sc4ncccc4C3=O)n2C)CC[C@@H]1C ZINC001340095648 1050499178 /nfs/dbraw/zinc/49/91/78/1050499178.db2.gz NDUIPDRVXPUECE-CMPLNLGQSA-N 0 0 359.455 2.659 20 10 FFCDRN CN(C[C@H]1CCCCO1)c1nnc(C2Sc3ncccc3C2=O)n1C ZINC001340095494 1050499553 /nfs/dbraw/zinc/49/95/53/1050499553.db2.gz LLIYZNSOEPUPHL-LLVKDONJSA-N 0 0 359.455 2.803 20 10 FFCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CC[C@H]([C@@H]2CCOC2)C1 ZINC001341902733 1050504021 /nfs/dbraw/zinc/50/40/21/1050504021.db2.gz SAHSJUJOJSBLNH-NWDGAFQWSA-N 0 0 371.466 2.660 20 10 FFCDRN COc1ccc(N2CCCN(c3nnc(COC4CCC4)n3C)CC2)cc1 ZINC001340190836 1050598483 /nfs/dbraw/zinc/59/84/83/1050598483.db2.gz PEKXYHMMPQFYOY-UHFFFAOYSA-N 0 0 371.485 2.610 20 10 FFCDRN C[C@H](NC(=O)N1CCC[C@H]1Cc1ccnn1C)c1ccc(N(C)C)cc1 ZINC001340206612 1050615148 /nfs/dbraw/zinc/61/51/48/1050615148.db2.gz WVBKRMDHNUMULZ-KXBFYZLASA-N 0 0 355.486 2.964 20 10 FFCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1CC[C@@H]([C@@H]2CCCO2)C1 ZINC001340209230 1050616820 /nfs/dbraw/zinc/61/68/20/1050616820.db2.gz JYILPKHUHFMOKP-YPMHNXCESA-N 0 0 371.466 2.803 20 10 FFCDRN Cc1cc(N(C)C)ccc1Cn1c(C2CC2)nnc1N1CCC(CO)CC1 ZINC001542226670 1071192847 /nfs/dbraw/zinc/19/28/47/1071192847.db2.gz FOOMSTOEMHOUDK-UHFFFAOYSA-N 0 0 369.513 2.787 20 10 FFCDRN Cc1cccc(C(=O)NCCNC(=O)c2cc3cc(O)c(O)cc3s2)c1 ZINC001542233460 1071194395 /nfs/dbraw/zinc/19/43/95/1071194395.db2.gz OXCRYBHWZKEPSK-UHFFFAOYSA-N 0 0 370.430 2.781 20 10 FFCDRN CO[C@@H]1CCN(c2nnc(C3CC3)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001302372394 1051098388 /nfs/dbraw/zinc/09/83/88/1051098388.db2.gz MYGBRKSJCJUJMV-GOSISDBHSA-N 0 0 355.486 2.803 20 10 FFCDRN CN(C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1)[C@H]1CCC(C)(C)C1 ZINC001342508626 1051110235 /nfs/dbraw/zinc/11/02/35/1051110235.db2.gz SAMYQGFRPPSRTA-SFHVURJKSA-N 0 0 355.482 2.716 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NC/C=C\c2ccccc2)cc1 ZINC001340818221 1051162754 /nfs/dbraw/zinc/16/27/54/1051162754.db2.gz OMPFKKZNYUGWAY-YFHOEESVSA-N 0 0 351.450 2.541 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@@H](O)c1cccc(F)c1 ZINC001340930527 1051260305 /nfs/dbraw/zinc/26/03/05/1051260305.db2.gz SFAPOEASQNTTGZ-QGZVFWFLSA-N 0 0 367.804 2.893 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1cccc(C(=O)N2CCCCC2)c1 ZINC001303225370 1051307725 /nfs/dbraw/zinc/30/77/25/1051307725.db2.gz GUBJELJZWIWBKO-UHFFFAOYSA-N 0 0 354.406 2.654 20 10 FFCDRN Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1cc(O)ccc1O ZINC001303223313 1051307942 /nfs/dbraw/zinc/30/79/42/1051307942.db2.gz JWSQEIBBIVEPTM-UHFFFAOYSA-N 0 0 355.369 2.969 20 10 FFCDRN CN(C)C(=O)c1ccc(NC(=O)c2cc3cc(O)c(O)cc3s2)cn1 ZINC001303413543 1051350242 /nfs/dbraw/zinc/35/02/42/1051350242.db2.gz VXKLXGHAVBDQLD-UHFFFAOYSA-N 0 0 357.391 2.662 20 10 FFCDRN COc1ccc(CCNC(=O)c2c(F)ccc(O)c2O)c(Cl)c1OC ZINC001306849602 1052200076 /nfs/dbraw/zinc/20/00/76/1052200076.db2.gz XNNDTQAUGLEOOI-UHFFFAOYSA-N 0 0 369.776 2.880 20 10 FFCDRN N[C@@](C(=O)N1Cc2cccc(O)c2C1)(c1cccc(F)c1)C(F)(F)F ZINC001306889188 1052213022 /nfs/dbraw/zinc/21/30/22/1052213022.db2.gz XUFKRXLAANQQDI-MRXNPFEDSA-N 0 0 354.303 2.790 20 10 FFCDRN CCN(CC)c1ccc(CN(C)C(=O)C(=O)Nc2ccc(F)c(N)c2)cc1 ZINC001345099828 1052256925 /nfs/dbraw/zinc/25/69/25/1052256925.db2.gz KPAHXBQNHLZRBH-UHFFFAOYSA-N 0 0 372.444 2.851 20 10 FFCDRN O=C(CSc1cccc[n+]1[O-])N(Cc1ccco1)Cc1ccccc1O ZINC000752089541 1052257477 /nfs/dbraw/zinc/25/74/77/1052257477.db2.gz YVTTYOSWXDCIQJ-UHFFFAOYSA-N 0 0 370.430 2.940 20 10 FFCDRN CN(C)C(=O)[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC001308247849 1052436716 /nfs/dbraw/zinc/43/67/16/1052436716.db2.gz DZXPJGMIBDCXRQ-MRXNPFEDSA-N 0 0 350.821 2.974 20 10 FFCDRN C[C@@H](CN1CCN(c2ccccc2)CC1)[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001308281204 1052441317 /nfs/dbraw/zinc/44/13/17/1052441317.db2.gz LXAGNDHSYPVDMS-HNNXBMFYSA-N 0 0 361.436 2.971 20 10 FFCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1[O-] ZINC001308526288 1052465135 /nfs/dbraw/zinc/46/51/35/1052465135.db2.gz OBHCNZYLLHDAAZ-BXUZGUMPSA-N 0 0 351.403 2.645 20 10 FFCDRN O=C(N1C[C@@H]2C[N@H+](Cc3cc(F)c(F)cc3[O-])CC[C@@H]2C1)C(F)(F)F ZINC001308765904 1052497033 /nfs/dbraw/zinc/49/70/33/1052497033.db2.gz LCURWTGHWFLQNT-KOLCDFICSA-N 0 0 364.314 2.513 20 10 FFCDRN Cc1ccc(/C=C/C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)cn1 ZINC000755007352 1052527896 /nfs/dbraw/zinc/52/78/96/1052527896.db2.gz YEVZOPXYLHONLH-FMIVXFBMSA-N 0 0 367.449 2.671 20 10 FFCDRN CO[C@@H](CS(=O)(=O)NCc1ccc(N(C)C)c(F)c1)C1CCCCC1 ZINC001309111905 1052557424 /nfs/dbraw/zinc/55/74/24/1052557424.db2.gz ABXSSNCCOZYGQI-SFHVURJKSA-N 0 0 372.506 2.906 20 10 FFCDRN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC001345662136 1052564061 /nfs/dbraw/zinc/56/40/61/1052564061.db2.gz BPPBNTMLAVQJPG-FUHWJXTLSA-N 0 0 357.454 2.594 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N[C@H]3CCOC3=O)cc2Cl)C1 ZINC001345884223 1052656712 /nfs/dbraw/zinc/65/67/12/1052656712.db2.gz ZZXHUWYVPRRHRB-DOMZBBRYSA-N 0 0 365.861 2.691 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCO[C@H](CCF)C2)n1CC1CC1 ZINC001346099500 1052746869 /nfs/dbraw/zinc/74/68/69/1052746869.db2.gz LLDXRXFCEKIELM-GFCCVEGCSA-N 0 0 352.435 2.687 20 10 FFCDRN CC1(C)CN(c2nnc(C3SC=CC3=O)n2C[C@H]2CCCO2)CCO1 ZINC001344573444 1052841039 /nfs/dbraw/zinc/84/10/39/1052841039.db2.gz YTGSIEMYHJXURI-GFCCVEGCSA-N 0 0 364.471 2.506 20 10 FFCDRN CC1CC(NC(=O)C(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)C1 ZINC001346522381 1053067562 /nfs/dbraw/zinc/06/75/62/1053067562.db2.gz MBCZHXIDDRPPEF-UHFFFAOYSA-N 0 0 369.465 2.789 20 10 FFCDRN C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC001346568579 1053113709 /nfs/dbraw/zinc/11/37/09/1053113709.db2.gz SFLIBGDWCBCUIF-DJJJIMSYSA-N 0 0 370.424 2.930 20 10 FFCDRN Cn1ccnc1C(NCc1ccc(N2CCCC2)cc1)c1nccn1C ZINC001334909454 1053145417 /nfs/dbraw/zinc/14/54/17/1053145417.db2.gz TZRUZVPQOMNNQO-UHFFFAOYSA-N 0 0 350.470 2.633 20 10 FFCDRN O=C(Nc1c2nonc2ccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC001346941304 1053462470 /nfs/dbraw/zinc/46/24/70/1053462470.db2.gz QMBSEEZMMWMTRX-SNVBAGLBSA-N 0 0 356.769 2.868 20 10 FFCDRN CN(C(=O)NCc1ccc(N)cc1)C1CCN(C(=O)c2ccccc2)CC1 ZINC001335728525 1053527330 /nfs/dbraw/zinc/52/73/30/1053527330.db2.gz ASANWPMJTRPYOM-UHFFFAOYSA-N 0 0 366.465 2.715 20 10 FFCDRN CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C12CCC(CC1)CC2 ZINC001335890064 1053624647 /nfs/dbraw/zinc/62/46/47/1053624647.db2.gz KRPUBHDRDWRZDK-LXDLAPCHSA-N 0 0 361.438 2.659 20 10 FFCDRN C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)C[C@@H](C)O2)c1ccc(N(C)C)cc1 ZINC001336682485 1054135505 /nfs/dbraw/zinc/13/55/05/1054135505.db2.gz QWNPNMHORKNZLA-KGLIPLIRSA-N 0 0 367.449 2.892 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)c2nnnn2C)c(C)n1-c1ccc(Cl)cc1 ZINC001336717944 1054163515 /nfs/dbraw/zinc/16/35/15/1054163515.db2.gz YFFUBSHHJUGMIK-NSHDSACASA-N 0 0 358.833 2.762 20 10 FFCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)C(=O)N1CCCC[C@@H]1C ZINC001336734122 1054176718 /nfs/dbraw/zinc/17/67/18/1054176718.db2.gz HTNDTECLZJCJEO-NWDGAFQWSA-N 0 0 353.850 2.634 20 10 FFCDRN Nc1ccc(CNC(=O)NCc2cccc(COC3CCOCC3)c2)cc1 ZINC001336819690 1054256374 /nfs/dbraw/zinc/25/63/74/1054256374.db2.gz FPNVDLNJMWUDGU-UHFFFAOYSA-N 0 0 369.465 2.964 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1coc(OC)n1 ZINC001348256948 1054579817 /nfs/dbraw/zinc/57/98/17/1054579817.db2.gz MTBBZGSIUCSMGX-UHFFFAOYSA-N 0 0 355.188 2.814 20 10 FFCDRN CC[C@@H](O)c1nnc(N(C)CCN(C)c2ccc(OC)cc2)n1CC1CC1 ZINC001348261288 1054584821 /nfs/dbraw/zinc/58/48/21/1054584821.db2.gz RIEUKKVWRNZZIC-GOSISDBHSA-N 0 0 373.501 2.713 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CC[C@@H](O)[C@@H](O)CC2)c(C)n1-c1ccc(F)cc1 ZINC001348359209 1054650463 /nfs/dbraw/zinc/65/04/63/1054650463.db2.gz OLXAKCZNDOVTGR-IDHPPYADSA-N 0 0 360.429 2.627 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1C[C@H](C(=O)NCc2c(O)cccc2F)[C@H]2C[C@H]21 ZINC001337367665 1054692969 /nfs/dbraw/zinc/69/29/69/1054692969.db2.gz IENVOQQVBWCQKA-OZTPJHRESA-N 0 0 364.417 2.697 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N(C)CCn2cccn2)c1 ZINC001348167704 1054715129 /nfs/dbraw/zinc/71/51/29/1054715129.db2.gz ARFXKGSGOLPWNY-UHFFFAOYSA-N 0 0 350.422 2.875 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)c2nnnn2C)c(C)n1-c1cccc(Cl)c1 ZINC001337433667 1054749092 /nfs/dbraw/zinc/74/90/92/1054749092.db2.gz GUYONZFIMZNNQQ-NSHDSACASA-N 0 0 358.833 2.762 20 10 FFCDRN CCCNC(=O)[C@H](C)NC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001337448225 1054760996 /nfs/dbraw/zinc/76/09/96/1054760996.db2.gz BOLBBQIQHFMYJR-AWEZNQCLSA-N 0 0 371.481 2.560 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCc2cnn(C)c2C1 ZINC001349117397 1055105925 /nfs/dbraw/zinc/10/59/25/1055105925.db2.gz JIWOQIWDBWUXJE-QGZVFWFLSA-N 0 0 352.482 2.784 20 10 FFCDRN C[C@@H]1CN(c2nnc(C3SC=CC3=O)n2C)C[C@H](CC(F)(F)F)O1 ZINC001338086154 1055219547 /nfs/dbraw/zinc/21/95/47/1055219547.db2.gz FKCCJWGIWHZKDE-BDAKNGLRSA-N 0 0 362.377 2.795 20 10 FFCDRN CCc1nc(C)ncc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC001356165605 1055349688 /nfs/dbraw/zinc/34/96/88/1055349688.db2.gz NTPZVQPCLBYABB-CQSZACIVSA-N 0 0 354.454 2.675 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NC[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000847265655 1055350498 /nfs/dbraw/zinc/35/04/98/1055350498.db2.gz HKOAURMDBUDZLK-GOSISDBHSA-N 0 0 353.422 2.807 20 10 FFCDRN CCc1cccc(CNc2ccc([C@@]3(C)NC(=O)N(C)C3=O)cc2)c1O ZINC000848923754 1055372121 /nfs/dbraw/zinc/37/21/21/1055372121.db2.gz JDFKDHYXHUBRPS-HXUWFJFHSA-N 0 0 353.422 2.964 20 10 FFCDRN Cc1ccc(NC(=O)N(C)C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC001338276591 1055383056 /nfs/dbraw/zinc/38/30/56/1055383056.db2.gz MXPQZXFNZVRGSI-CYBMUJFWSA-N 0 0 371.437 2.861 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CCCCN1Cc1ccncc1 ZINC001338277217 1055383177 /nfs/dbraw/zinc/38/31/77/1055383177.db2.gz SRKKGSMPCZLKRG-MAUKXSAKSA-N 0 0 369.465 2.595 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCc2cccc(CN3CCOCC3)c2)c1 ZINC001352360261 1055394993 /nfs/dbraw/zinc/39/49/93/1055394993.db2.gz JUIUHPLQOUWGKB-UHFFFAOYSA-N 0 0 369.465 2.532 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@@H]1CCc2ccccc2NC1=O ZINC000847318690 1055481611 /nfs/dbraw/zinc/48/16/11/1055481611.db2.gz NFXCYYGBYCOROO-LJQANCHMSA-N 0 0 366.465 2.814 20 10 FFCDRN C[C@H](NC(=O)C(=O)N1CCC(F)(F)C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC001352543131 1055580770 /nfs/dbraw/zinc/58/07/70/1055580770.db2.gz RDHISZOLQIFNNY-STQMWFEESA-N 0 0 353.413 2.576 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@H](C(=O)OC(C)(C)C)C(C)C)c1O ZINC000847429094 1055758985 /nfs/dbraw/zinc/75/89/85/1055758985.db2.gz FBJOLBXGWYHMTH-AWEZNQCLSA-N 0 0 366.458 2.814 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC[C@H](OCC(F)(F)F)C1 ZINC001338748432 1055781965 /nfs/dbraw/zinc/78/19/65/1055781965.db2.gz BWRWIINSSIFRMP-VIFPVBQESA-N 0 0 362.377 2.797 20 10 FFCDRN Nc1ccc(CNC(=O)NCc2ccncc2OCC(F)(F)F)cc1 ZINC001357373208 1055882168 /nfs/dbraw/zinc/88/21/68/1055882168.db2.gz HIJJJOXPGMVKFM-UHFFFAOYSA-N 0 0 354.332 2.604 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC2(CCCCO2)CC1 ZINC001352929975 1055942735 /nfs/dbraw/zinc/94/27/35/1055942735.db2.gz CNJNGVAGGNCLEO-UHFFFAOYSA-N 0 0 374.481 2.693 20 10 FFCDRN CO[C@H](C(=O)OC(C)(C)C)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC001352944121 1055960276 /nfs/dbraw/zinc/96/02/76/1055960276.db2.gz ISVUFYISBYXROF-KRWDZBQOSA-N 0 0 364.486 2.846 20 10 FFCDRN COc1ccc(N2CCN(c3nnc(-c4coc(C)c4)n3C)CC2)cc1F ZINC001339019078 1056020788 /nfs/dbraw/zinc/02/07/88/1056020788.db2.gz FFNRBHVYBHUDSB-UHFFFAOYSA-N 0 0 371.416 2.858 20 10 FFCDRN COc1nscc1CN(C)C(=O)NCCCSc1nccs1 ZINC001350981313 1056026454 /nfs/dbraw/zinc/02/64/54/1056026454.db2.gz TWRAIOOGGZTOHR-UHFFFAOYSA-N 0 0 358.514 2.932 20 10 FFCDRN CCC[C@H]1CCCN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001357837000 1056032635 /nfs/dbraw/zinc/03/26/35/1056032635.db2.gz MIDBRUUHYOLBCF-IBGZPJMESA-N 0 0 372.513 2.862 20 10 FFCDRN Cn1nc2ccccc2c1C(=O)NCc1cccc(Br)c1O ZINC001339114217 1056105305 /nfs/dbraw/zinc/10/53/05/1056105305.db2.gz ARBGAQURYXMPIQ-UHFFFAOYSA-N 0 0 360.211 2.971 20 10 FFCDRN CCn1c([C@@H]2CCCc3n[nH]cc32)nnc1N(C)Cc1ccccc1O ZINC001339318510 1056324665 /nfs/dbraw/zinc/32/46/65/1056324665.db2.gz GUHGGEKOAAPMLW-CQSZACIVSA-N 0 0 352.442 2.831 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N(CCO)Cc1ccc(OC)cc1 ZINC001339367900 1056380741 /nfs/dbraw/zinc/38/07/41/1056380741.db2.gz UETZZJQGDSVUJR-UHFFFAOYSA-N 0 0 374.466 2.740 20 10 FFCDRN CCCn1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)c(C)n1 ZINC001353538745 1056511796 /nfs/dbraw/zinc/51/17/96/1056511796.db2.gz AGEQLQFYNZGWGM-UHFFFAOYSA-N 0 0 360.433 2.507 20 10 FFCDRN COc1ccc(N2CC[C@H](N3C(=O)[C@H](c4ccccc4)N(C)C3=O)C2)cc1 ZINC000849358466 1056842254 /nfs/dbraw/zinc/84/22/54/1056842254.db2.gz WJKCELYXDFDGLP-HKUYNNGSSA-N 0 0 365.433 2.909 20 10 FFCDRN Cc1noc(COc2ccc(C(=O)NCc3cc(Cl)ccc3O)cn2)n1 ZINC001300396592 1058168601 /nfs/dbraw/zinc/16/86/01/1058168601.db2.gz ZFUPRHPGEXLMSO-UHFFFAOYSA-N 0 0 374.784 2.641 20 10 FFCDRN CO[C@@H]1CCN(c2nnc(C3Sc4ncccc4C3=O)n2CC2CC2)C1 ZINC001518472256 1058394097 /nfs/dbraw/zinc/39/40/97/1058394097.db2.gz HMUMNAXVJHGFPR-GFCCVEGCSA-N 0 0 371.466 2.896 20 10 FFCDRN C[C@@H](NC(=O)Cc1ccc(O)c(O)c1)[C@H](O)c1c(F)cccc1Cl ZINC001445800192 1058446211 /nfs/dbraw/zinc/44/62/11/1058446211.db2.gz LHSPXZGLWMZJIW-XLFHBGCDSA-N 0 0 353.777 2.671 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)[C@H]1Cc2cc(F)ccc2NC1=O ZINC001445900058 1058454433 /nfs/dbraw/zinc/45/44/33/1058454433.db2.gz LGQBMJMOJUTFDH-MRXNPFEDSA-N 0 0 368.408 2.837 20 10 FFCDRN CC[C@H]1CC[C@@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)O1 ZINC001446814012 1058556928 /nfs/dbraw/zinc/55/69/28/1058556928.db2.gz DWKIPPZGWDHFCK-ZFWWWQNUSA-N 0 0 355.818 2.505 20 10 FFCDRN Cn1ccc([C@@H](NC(=O)Cc2ccc(O)c(O)c2)c2ccc(Cl)cc2)n1 ZINC001447408958 1058639993 /nfs/dbraw/zinc/63/99/93/1058639993.db2.gz FVRWGWJXFMKJRG-IBGZPJMESA-N 0 0 371.824 2.933 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)CCc1nc(-c2ccoc2)no1 ZINC001449117165 1058863803 /nfs/dbraw/zinc/86/38/03/1058863803.db2.gz GPMNJNBJANMBKL-UHFFFAOYSA-N 0 0 362.382 2.770 20 10 FFCDRN C[C@H](c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1)C(C)(C)O ZINC001519605958 1058875222 /nfs/dbraw/zinc/87/52/22/1058875222.db2.gz MWEBUSDRNOILLG-HUUCEWRRSA-N 0 0 374.485 2.531 20 10 FFCDRN CC[C@@H](C)n1nccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001519700675 1058971252 /nfs/dbraw/zinc/97/12/52/1058971252.db2.gz UMVGXYASZILSTG-CQSZACIVSA-N 0 0 374.460 2.884 20 10 FFCDRN CC(C)(C)OC(=O)N1CC2(C1)CCN(C(=O)c1cccc(O)c1O)CC2 ZINC000848110214 1059020761 /nfs/dbraw/zinc/02/07/61/1059020761.db2.gz XRLPYSKYQMWPES-UHFFFAOYSA-N 0 0 362.426 2.571 20 10 FFCDRN CO[C@@H](C)Cn1c(Cc2cccnc2)nnc1N(C)Cc1ccccc1O ZINC001503938624 1059119918 /nfs/dbraw/zinc/11/99/18/1059119918.db2.gz BPPIHMPVIFAMHR-HNNXBMFYSA-N 0 0 367.453 2.641 20 10 FFCDRN COC1(C)CN(c2nnc(C3SC=CC3=O)n2C[C@H]2CCCCO2)C1 ZINC001519843092 1059127353 /nfs/dbraw/zinc/12/73/53/1059127353.db2.gz WYUZHSOEVUCJHS-GFCCVEGCSA-N 0 0 364.471 2.506 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000848146841 1059130887 /nfs/dbraw/zinc/13/08/87/1059130887.db2.gz YEACUDNUARKQMH-LCIOVWFGSA-N 0 0 350.418 2.706 20 10 FFCDRN O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NCCF ZINC001519942443 1059226312 /nfs/dbraw/zinc/22/63/12/1059226312.db2.gz YGOIKDBCLKRAIU-XFXZXTDPSA-N 0 0 356.419 2.503 20 10 FFCDRN COc1cccc([C@@H]2CN(C(=O)c3ccc(N=NC(N)=O)cc3)CCN2)c1 ZINC001454474488 1059544692 /nfs/dbraw/zinc/54/46/92/1059544692.db2.gz NRFMGZDSWSMHOP-KRWDZBQOSA-N 0 0 367.409 2.644 20 10 FFCDRN CCN1C(=O)C[C@@H](C(=O)NCc2ccc(N)cc2)[C@H]1c1cccc(C)c1 ZINC001515332254 1059565196 /nfs/dbraw/zinc/56/51/96/1059565196.db2.gz JHMPGNOEQKXAGX-UYAOXDASSA-N 0 0 351.450 2.803 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(Cc2nn[nH]n2)CC1 ZINC001455356228 1059770500 /nfs/dbraw/zinc/77/05/00/1059770500.db2.gz SGBPMSCWBNDPQF-UHFFFAOYSA-N 0 0 370.482 2.764 20 10 FFCDRN CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC001455527156 1059811178 /nfs/dbraw/zinc/81/11/78/1059811178.db2.gz BRDVFZMQCUQUAN-SIJIIQCFSA-N 0 0 368.389 2.595 20 10 FFCDRN COC(=O)[C@@H](NC(=O)c1cccc(O)c1O)c1cccc2ccccc21 ZINC001455839116 1059929524 /nfs/dbraw/zinc/92/95/24/1059929524.db2.gz MCPYVECIKVZKFA-KRWDZBQOSA-N 0 0 351.358 2.895 20 10 FFCDRN C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)c3ccc(N=NC(N)=O)cc3)O2)[C@H]1C ZINC001455919648 1059953497 /nfs/dbraw/zinc/95/34/97/1059953497.db2.gz QMCPKCNNXPJZCT-NZRMSGFPSA-N 0 0 360.414 2.551 20 10 FFCDRN Cn1cncc1C1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC001520723576 1060001879 /nfs/dbraw/zinc/00/18/79/1060001879.db2.gz ZDDJJWCHPZCMRJ-UHFFFAOYSA-N 0 0 365.481 2.886 20 10 FFCDRN Cc1cn(-c2c(F)cccc2F)nc1C(=O)NCc1c(O)cccc1O ZINC001456234831 1060064144 /nfs/dbraw/zinc/06/41/44/1060064144.db2.gz JVTRBIHPLLGDQI-UHFFFAOYSA-N 0 0 359.332 2.800 20 10 FFCDRN Cc1cc(C(=O)N=S2(=O)CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC001456891955 1060223288 /nfs/dbraw/zinc/22/32/88/1060223288.db2.gz CTCYPKDCYMPPSW-UHFFFAOYSA-N 0 0 350.415 2.872 20 10 FFCDRN C[C@H](NC(=O)c1c(F)ccc(O)c1O)c1noc(Cc2ccccc2)n1 ZINC001457681686 1060424653 /nfs/dbraw/zinc/42/46/53/1060424653.db2.gz FJFIPFPKLHXLTN-JTQLQIEISA-N 0 0 357.341 2.702 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CCc2nccc(Br)c2C1 ZINC001457874956 1060459841 /nfs/dbraw/zinc/45/98/41/1060459841.db2.gz LQQOZFQMPGKQDX-UHFFFAOYSA-N 0 0 367.174 2.593 20 10 FFCDRN COC(=O)C1(C(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000848691563 1060472601 /nfs/dbraw/zinc/47/26/01/1060472601.db2.gz JHOLLXPVNYVMPO-UHFFFAOYSA-N 0 0 355.390 2.773 20 10 FFCDRN Cc1[nH]c(=O)[nH]c(=S)c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001521458110 1060600120 /nfs/dbraw/zinc/60/01/20/1060600120.db2.gz FDTYERJMVAZTBA-UHFFFAOYSA-N 0 0 358.467 2.700 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC(Oc3ncc(C)cn3)CC2)cc1OC ZINC000848757979 1060617003 /nfs/dbraw/zinc/61/70/03/1060617003.db2.gz QURMFRGHEXBOFX-UHFFFAOYSA-N 0 0 374.397 2.758 20 10 FFCDRN Cc1cc(CN2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)ccc1N1CCCCC1 ZINC001460901728 1061143555 /nfs/dbraw/zinc/14/35/55/1061143555.db2.gz NCVWECLGCRRPRO-AZUAARDMSA-N 0 0 362.539 2.852 20 10 FFCDRN COCCO[C@@H]1CCC[N@H+](Cc2cc(Br)cc(F)c2[O-])C1 ZINC001462142722 1061516260 /nfs/dbraw/zinc/51/62/60/1061516260.db2.gz DHTKQZTWICYXPI-CYBMUJFWSA-N 0 0 362.239 2.921 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc([N+](=O)[O-])cc(C)n2)cc1 ZINC001527596026 1061545561 /nfs/dbraw/zinc/54/55/61/1061545561.db2.gz ROFZCDQLUVFNGX-UHFFFAOYSA-N 0 0 358.398 2.515 20 10 FFCDRN CCOC(=O)c1cn(C)cc1NC(=O)N[C@H](C)c1cc(OC)ccc1O ZINC001477172493 1061611537 /nfs/dbraw/zinc/61/15/37/1061611537.db2.gz RGBLRWFQBONCIQ-LLVKDONJSA-N 0 0 361.398 2.799 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H]2CC(c3ccc(C)cc3)=NO2)ccc1[N+](=O)[O-] ZINC001462547736 1061664611 /nfs/dbraw/zinc/66/46/11/1061664611.db2.gz DQXGWPRYFWDHOR-OAHLLOKOSA-N 0 0 371.393 2.900 20 10 FFCDRN O=C(NCc1cn(-c2ccccc2)nn1)NCc1cccc(Cl)c1O ZINC001478147439 1061921272 /nfs/dbraw/zinc/92/12/72/1061921272.db2.gz PCSILYBDDUORLM-UHFFFAOYSA-N 0 0 357.801 2.626 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC(CC(=O)NCc2cccc(O)c2O)CC1 ZINC001528771083 1062039485 /nfs/dbraw/zinc/03/94/85/1062039485.db2.gz JLMMLZHPRVMHHF-UHFFFAOYSA-N 0 0 364.442 2.751 20 10 FFCDRN O=C(NCCc1cccc2c1OC(F)(F)O2)NCc1c(O)cccc1F ZINC001478998773 1062179285 /nfs/dbraw/zinc/17/92/85/1062179285.db2.gz QTELIMKZRAUWOM-UHFFFAOYSA-N 0 0 368.311 2.895 20 10 FFCDRN Cc1nnc(N2C[C@H](C)O[C@@H](C)C2)n1Cc1ccc2c(c1)CCCN2C ZINC001492793370 1062220959 /nfs/dbraw/zinc/22/09/59/1062220959.db2.gz KYLDYEKDMOMZOF-GJZGRUSLSA-N 0 0 355.486 2.631 20 10 FFCDRN Cc1cc(CNC(=O)NCC(C)(C)C(N)=O)c(C)n1-c1cccc(C)c1 ZINC001479100435 1062224802 /nfs/dbraw/zinc/22/48/02/1062224802.db2.gz UBJPIPFRIQSFLO-UHFFFAOYSA-N 0 0 356.470 2.713 20 10 FFCDRN CO[C@@]1(CO)CCCN(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001479103125 1062227276 /nfs/dbraw/zinc/22/72/76/1062227276.db2.gz QDIYDHYNPLTJEZ-NRFANRHFSA-N 0 0 371.481 2.777 20 10 FFCDRN Cn1nc(-c2cccnc2)cc1C(=O)Nc1c2nonc2ccc1Cl ZINC001436139472 1062648145 /nfs/dbraw/zinc/64/81/45/1062648145.db2.gz YVOFFKMPOQSJIY-UHFFFAOYSA-N 0 0 354.757 2.924 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Cn2nc(C)cc2C(F)F)cc1 ZINC001530903797 1062659438 /nfs/dbraw/zinc/65/94/38/1062659438.db2.gz CUOMWTIWAJUORT-UHFFFAOYSA-N 0 0 366.412 2.733 20 10 FFCDRN COC(=O)c1[nH]cnc1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001436230910 1062672607 /nfs/dbraw/zinc/67/26/07/1062672607.db2.gz QIPJUHDKMXIFJS-UHFFFAOYSA-N 0 0 352.394 2.785 20 10 FFCDRN Cc1cccc(N(CCC(N)=O)C(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001464576787 1062692649 /nfs/dbraw/zinc/69/26/49/1062692649.db2.gz WYAROAVUNMMUFE-UHFFFAOYSA-N 0 0 353.382 2.680 20 10 FFCDRN Cc1cc(CNC(=O)c2ccnc3c2nnn3C)c(C)n1-c1ccccc1 ZINC001438302928 1062981863 /nfs/dbraw/zinc/98/18/63/1062981863.db2.gz MZWJIPOZLUJQPC-UHFFFAOYSA-N 0 0 360.421 2.701 20 10 FFCDRN Cc1cc(CNC(=O)c2ccc(C(N)=O)cn2)c(C)n1-c1cccc(C)c1 ZINC001438313228 1062983659 /nfs/dbraw/zinc/98/36/59/1062983659.db2.gz NKJRWSUTQWXWBT-UHFFFAOYSA-N 0 0 362.433 2.826 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C1=CC(=O)CS1 ZINC001466399022 1063422846 /nfs/dbraw/zinc/42/28/46/1063422846.db2.gz WWHZXIXKMJRXKH-UHFFFAOYSA-N 0 0 355.799 2.628 20 10 FFCDRN O=Cc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC001441792884 1063473712 /nfs/dbraw/zinc/47/37/12/1063473712.db2.gz SUUNDFMXNSAJIW-SOFGYWHQSA-N 0 0 368.408 2.804 20 10 FFCDRN C[C@@H](NC(=O)Cc1cc(F)ccc1O)c1ccc(N2CCOCC2)cc1 ZINC001442408000 1063532067 /nfs/dbraw/zinc/53/20/67/1063532067.db2.gz FHLRJTCFZMGTTQ-CQSZACIVSA-N 0 0 358.413 2.788 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC001466791651 1063558851 /nfs/dbraw/zinc/55/88/51/1063558851.db2.gz WXYJMFQVPJKAGO-ZDUSSCGKSA-N 0 0 371.433 2.938 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)COc1cccc2c1OC(C)(C)C2 ZINC001466791649 1063559032 /nfs/dbraw/zinc/55/90/32/1063559032.db2.gz WXYJMFQVPJKAGO-CYBMUJFWSA-N 0 0 371.433 2.938 20 10 FFCDRN CCCN(CC(=O)OC)C(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001466950013 1063602711 /nfs/dbraw/zinc/60/27/11/1063602711.db2.gz RAWDBKOFZGGNCH-UHFFFAOYSA-N 0 0 370.449 2.861 20 10 FFCDRN COc1ccc(CNC(=O)Cc2cncn2Cc2ccccc2)c(O)c1 ZINC001467471227 1063756277 /nfs/dbraw/zinc/75/62/77/1063756277.db2.gz AQGAHEZMQKFKOJ-UHFFFAOYSA-N 0 0 351.406 2.505 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2occc(=O)c2c1 ZINC001467557508 1063780770 /nfs/dbraw/zinc/78/07/70/1063780770.db2.gz NHCKNCLKUIJPMA-LLVKDONJSA-N 0 0 354.362 2.957 20 10 FFCDRN CC(=O)c1ncc(C(=O)NCc2cccc(Br)c2O)s1 ZINC001467763601 1063844452 /nfs/dbraw/zinc/84/44/52/1063844452.db2.gz JQELHWWPXJSKJZ-UHFFFAOYSA-N 0 0 355.213 2.744 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NC[C@@]2(OC)CCSC2)cc1F ZINC001468728752 1064028558 /nfs/dbraw/zinc/02/85/58/1064028558.db2.gz MXMMCSWKLCHZQT-SFHVURJKSA-N 0 0 369.506 2.993 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCn1ccc(C(F)(F)F)n1 ZINC001468743229 1064030774 /nfs/dbraw/zinc/03/07/74/1064030774.db2.gz FTRJJEPJZNZHPZ-UHFFFAOYSA-N 0 0 369.391 2.776 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCC(=O)Nc1ncc[nH]1 ZINC001468770112 1064036855 /nfs/dbraw/zinc/03/68/55/1064036855.db2.gz YTFMMUGIVLDJFI-UHFFFAOYSA-N 0 0 365.437 2.884 20 10 FFCDRN CC(=O)Nc1cnccc1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC001469105098 1064092565 /nfs/dbraw/zinc/09/25/65/1064092565.db2.gz VEQUEQOGJBVHOB-AWEZNQCLSA-N 0 0 354.454 2.775 20 10 FFCDRN CC(C)(C)OC(=O)NC1(C(=O)NCc2ccc(O)cc2O)CCCC1 ZINC001469158957 1064100885 /nfs/dbraw/zinc/10/08/85/1064100885.db2.gz HWYWRNSCEGMHFQ-UHFFFAOYSA-N 0 0 350.415 2.552 20 10 FFCDRN COc1ccc(C(=O)NCc2ccc3cccnc3c2O)cc1[N+](=O)[O-] ZINC001469252577 1064117738 /nfs/dbraw/zinc/11/77/38/1064117738.db2.gz MXZVYZDRGJXLQK-UHFFFAOYSA-N 0 0 353.334 2.787 20 10 FFCDRN CC(=O)Nc1cccnc1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001469301729 1064123897 /nfs/dbraw/zinc/12/38/97/1064123897.db2.gz CDRSIIHFEIVFNI-UHFFFAOYSA-N 0 0 352.438 2.960 20 10 FFCDRN C[C@@H](CO[C@H]1CCOC1)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001469355623 1064133648 /nfs/dbraw/zinc/13/36/48/1064133648.db2.gz VAGVPTRFBHNZCZ-LPHOPBHVSA-N 0 0 361.486 2.622 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](O)C[C@]2(C)CO)c(C)n1-c1cccc(Cl)c1 ZINC001470302532 1064300569 /nfs/dbraw/zinc/30/05/69/1064300569.db2.gz FCXWXJSUYARUSH-QFBILLFUSA-N 0 0 362.857 2.705 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@H](OC)C[C@]3(C)CO)c2C)cc1 ZINC001471080224 1064552362 /nfs/dbraw/zinc/55/23/62/1064552362.db2.gz AUQKGVJKGIKDQN-WIYYLYMNSA-N 0 0 372.465 2.715 20 10 FFCDRN C[C@@H](NC(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1ccccc1O ZINC001471195878 1064597035 /nfs/dbraw/zinc/59/70/35/1064597035.db2.gz PHPRPWCQSUNECT-GFCCVEGCSA-N 0 0 353.353 2.568 20 10 FFCDRN CC(C)n1ncc2cc(C=CC(=O)N[C@H](C)c3ccccc3O)c(=O)[nH]c21 ZINC001471196401 1064598355 /nfs/dbraw/zinc/59/83/55/1064598355.db2.gz ZTYZSISNJZPZFS-LJTDUEICSA-N 0 0 366.421 2.902 20 10 FFCDRN O=C(NCc1cccc(O)c1O)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 ZINC001471641993 1064743487 /nfs/dbraw/zinc/74/34/87/1064743487.db2.gz FEAQBDVIYORPHK-AWEZNQCLSA-N 0 0 364.760 2.700 20 10 FFCDRN CC(C)(C)OC(=O)CN(Cc1cn[nH]n1)Cc1ccc(Cl)cc1O ZINC001575275758 1078124121 /nfs/dbraw/zinc/12/41/21/1078124121.db2.gz ZNONNLWYBMOZOG-UHFFFAOYSA-N 0 0 352.822 2.508 20 10 FFCDRN CCOC(=O)C[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1F ZINC001471907903 1064848757 /nfs/dbraw/zinc/84/87/57/1064848757.db2.gz FMJIHJJDFTWUGG-AWEZNQCLSA-N 0 0 365.332 2.800 20 10 FFCDRN 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/nfs/dbraw/zinc/74/34/36/509743436.db2.gz DDVYFZWELGOPGV-VMPITWQZSA-N 0 0 357.479 2.742 20 10 FFCDRN CCNC(=O)c1ccc(NCc2ccc(N3CCC(CO)CC3)cc2)nc1 ZINC000264859630 509744199 /nfs/dbraw/zinc/74/41/99/509744199.db2.gz LNZLCWCMWGSONO-UHFFFAOYSA-N 0 0 368.481 2.652 20 10 FFCDRN Nc1ccc(CC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)cc1 ZINC000237886983 509762231 /nfs/dbraw/zinc/76/22/31/509762231.db2.gz ZXUHZHLUWUCHFQ-UHFFFAOYSA-N 0 0 353.422 2.545 20 10 FFCDRN Nc1ccc(CC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2)cc1 ZINC000237916405 509773134 /nfs/dbraw/zinc/77/31/34/509773134.db2.gz SCQXCUDAOWKHJA-HNNXBMFYSA-N 0 0 361.392 2.808 20 10 FFCDRN CC(C)C[C@@H](C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N1CCCCC1=O ZINC000183480362 509815876 /nfs/dbraw/zinc/81/58/76/509815876.db2.gz KBXYGVHKTPDMGL-HOCLYGCPSA-N 0 0 362.470 2.572 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(F)cc3[N+](=O)[O-])CC2)cc1 ZINC000177022763 509824345 /nfs/dbraw/zinc/82/43/45/509824345.db2.gz SXXAGFKAFNCOMD-UHFFFAOYSA-N 0 0 359.357 2.705 20 10 FFCDRN O=C(NCCCc1ccccc1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000170902067 509841596 /nfs/dbraw/zinc/84/15/96/509841596.db2.gz RXASSQNSRMTVRO-UHFFFAOYSA-N 0 0 365.477 2.652 20 10 FFCDRN Cc1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1F ZINC000268340249 509876683 /nfs/dbraw/zinc/87/66/83/509876683.db2.gz GILAPMSOKPAHBB-UHFFFAOYSA-N 0 0 362.426 2.621 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN([C@@H](C)CS(C)(=O)=O)C2CC2)c1O ZINC000177170672 509916030 /nfs/dbraw/zinc/91/60/30/509916030.db2.gz LYKVYBASNPTOEH-JTQLQIEISA-N 0 0 359.875 2.646 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(Cc3cc(C)no3)CC2)c1O ZINC000177239719 509955185 /nfs/dbraw/zinc/95/51/85/509955185.db2.gz KDIHRYJDCWHDMD-UHFFFAOYSA-N 0 0 363.845 2.862 20 10 FFCDRN C[C@H](CN(C)CC(=O)N(C)Cc1ccc(N(C)C)cc1)c1nccs1 ZINC000183920898 510038473 /nfs/dbraw/zinc/03/84/73/510038473.db2.gz NRAKAONOBKTSLJ-OAHLLOKOSA-N 0 0 360.527 2.903 20 10 FFCDRN C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000193754942 510051578 /nfs/dbraw/zinc/05/15/78/510051578.db2.gz YNWNEFBYBYZRNW-ZMYBRWDISA-N 0 0 368.433 2.515 20 10 FFCDRN O=C(Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)N1CC[C@H](CO)C1 ZINC000177469198 510079876 /nfs/dbraw/zinc/07/98/76/510079876.db2.gz BVTMCGMWANBLGJ-OXBTWTFQSA-N 0 0 352.394 2.881 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000180744833 510086297 /nfs/dbraw/zinc/08/62/97/510086297.db2.gz FYAPDYKSBUKDOD-VBAWXRRRSA-N 0 0 361.344 2.989 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)c3cnn(CC(C)C)c3)CC2)cc1 ZINC000180749882 510089806 /nfs/dbraw/zinc/08/98/06/510089806.db2.gz BLVATNQTFBXICU-UHFFFAOYSA-N 0 0 356.470 2.900 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1nc2cccnc2s1 ZINC000193892216 510116361 /nfs/dbraw/zinc/11/63/61/510116361.db2.gz NSIJJHVCXYWRDP-UHFFFAOYSA-N 0 0 372.425 2.597 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(-c2ncn(C)n2)cc1 ZINC000180828877 510132108 /nfs/dbraw/zinc/13/21/08/510132108.db2.gz SZIOFILTRSLNNA-UHFFFAOYSA-N 0 0 363.421 2.587 20 10 FFCDRN O=C(N[C@H]1CCCc2c[nH]nc21)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269050996 510212076 /nfs/dbraw/zinc/21/20/76/510212076.db2.gz VLOCDKMKDXELFZ-SJORKVTESA-N 0 0 370.453 2.884 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(F)c(C)c3)cc2)CC1 ZINC000190571223 510213243 /nfs/dbraw/zinc/21/32/43/510213243.db2.gz ZWESBMVNPCUNSU-UHFFFAOYSA-N 0 0 369.440 2.733 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(C)c3)cc2)CC1 ZINC000190578164 510218227 /nfs/dbraw/zinc/21/82/27/510218227.db2.gz QKJWQAFLUAVXCP-UHFFFAOYSA-N 0 0 351.450 2.594 20 10 FFCDRN CC(C)NC(=O)CSc1ccccc1C(=O)N1CCS[C@H](C)C1 ZINC000171580389 510235544 /nfs/dbraw/zinc/23/55/44/510235544.db2.gz RDKVZADTTROMRR-CYBMUJFWSA-N 0 0 352.525 2.881 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(N3CCCC3=O)CC2)cc1 ZINC000171646143 510276200 /nfs/dbraw/zinc/27/62/00/510276200.db2.gz MHBCWJLCNDPUPS-UHFFFAOYSA-N 0 0 372.513 2.829 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC([C@@H]2CCCO2)CC1 ZINC000187523589 510314879 /nfs/dbraw/zinc/31/48/79/510314879.db2.gz OIAHJKVWUGKSSB-FERLCFGISA-N 0 0 370.493 2.954 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3CCCCO3)cc2F)C[C@H](C)O1 ZINC000269371927 510367906 /nfs/dbraw/zinc/36/79/06/510367906.db2.gz YQAUIWURMDUBFP-QWQRMKEZSA-N 0 0 350.434 2.625 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]3CCCCO3)cc2F)C[C@H](C)O1 ZINC000269371919 510368152 /nfs/dbraw/zinc/36/81/52/510368152.db2.gz YQAUIWURMDUBFP-IYOUNJFTSA-N 0 0 350.434 2.625 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000266056118 510384462 /nfs/dbraw/zinc/38/44/62/510384462.db2.gz ZFYUZSCLUVISBE-HNNXBMFYSA-N 0 0 363.458 2.837 20 10 FFCDRN COC(=O)CN(Cc1nc(C(C)C)no1)Cc1cc(Cl)ccc1O ZINC000171927536 510455698 /nfs/dbraw/zinc/45/56/98/510455698.db2.gz FTASUOMTXAACSN-UHFFFAOYSA-N 0 0 353.806 2.727 20 10 FFCDRN CCN(C)C(=O)[C@H](C)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000187852266 510470293 /nfs/dbraw/zinc/47/02/93/510470293.db2.gz PLVXLVHHIVMWOX-INIZCTEOSA-N 0 0 360.502 2.685 20 10 FFCDRN Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1ccc(N3CCOCC3)cc1)C2 ZINC000266275618 510493707 /nfs/dbraw/zinc/49/37/07/510493707.db2.gz PGCZVGZTRFCUPH-OAQYLSRUSA-N 0 0 366.461 2.760 20 10 FFCDRN CC[C@](C)(CNC(=O)OC(C)(C)C)C(=O)NCc1cccc(OC)c1O ZINC000269645016 510496892 /nfs/dbraw/zinc/49/68/92/510496892.db2.gz YXNGUMYPIBXRCE-LJQANCHMSA-N 0 0 366.458 2.958 20 10 FFCDRN C[C@@H](C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)n1cccn1 ZINC000266332524 510522232 /nfs/dbraw/zinc/52/22/32/510522232.db2.gz AXRJQPHEZPITEW-KBPBESRZSA-N 0 0 364.396 2.831 20 10 FFCDRN Cc1ocnc1C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000266334706 510524697 /nfs/dbraw/zinc/52/46/97/510524697.db2.gz BEOGMGLFAYWJJX-GFCCVEGCSA-N 0 0 351.353 2.983 20 10 FFCDRN C[C@@H](NC(=O)C1CCCC1)C(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000269841257 510566330 /nfs/dbraw/zinc/56/63/30/510566330.db2.gz RNYOCCHNIYNPFO-CRAIPNDOSA-N 0 0 374.481 2.595 20 10 FFCDRN C[C@@]1(C(=O)NCc2ccccc2O)CCCN(C(=O)c2ccccc2)C1 ZINC000266482743 510614380 /nfs/dbraw/zinc/61/43/80/510614380.db2.gz COPRLOQKSLJFIT-OAQYLSRUSA-N 0 0 352.434 2.951 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCc3cccn3C)cc2F)C[C@@H](C)O1 ZINC000266483188 510615549 /nfs/dbraw/zinc/61/55/49/510615549.db2.gz DHUDGPPIUUACNE-HUUCEWRRSA-N 0 0 374.460 2.777 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cc(C)nn1C ZINC000266495192 510622085 /nfs/dbraw/zinc/62/20/85/510622085.db2.gz CKIUXMCBSPBICD-UHFFFAOYSA-N 0 0 352.232 2.859 20 10 FFCDRN CNS(=O)(=O)c1ccc2c(c1)CCN2C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191547422 510715842 /nfs/dbraw/zinc/71/58/42/510715842.db2.gz WMPFWUIPHIZWFO-GQCTYLIASA-N 0 0 373.434 2.579 20 10 FFCDRN CSC(C)(C)CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000175675473 510727045 /nfs/dbraw/zinc/72/70/45/510727045.db2.gz ILTJDWOZROLBBY-UHFFFAOYSA-N 0 0 355.479 2.603 20 10 FFCDRN COCCn1c2ccc(S(C)(=O)=O)cc2nc1-c1ccc(N(C)C)cc1 ZINC000270235106 510727969 /nfs/dbraw/zinc/72/79/69/510727969.db2.gz KAMATKBMDKVMPU-UHFFFAOYSA-N 0 0 373.478 2.819 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](CO)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000270419203 510801791 /nfs/dbraw/zinc/80/17/91/510801791.db2.gz CPXYXZGAENMXNV-IBGZPJMESA-N 0 0 352.438 2.599 20 10 FFCDRN C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1)c1ccc(F)cc1[O-] ZINC000185350724 510818035 /nfs/dbraw/zinc/81/80/35/510818035.db2.gz MVKDQPRUKCPAIQ-HNAYVOBHSA-N 0 0 372.440 2.652 20 10 FFCDRN COc1ccccc1N1CC[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000263788166 510840949 /nfs/dbraw/zinc/84/09/49/510840949.db2.gz XRKCPCYGKKKSDU-HNNXBMFYSA-N 0 0 355.438 2.727 20 10 FFCDRN Cc1cc(C(=O)N2CCOC[C@H]2c2nnc(C)o2)c(C)n1-c1ccccc1 ZINC000275353256 510881578 /nfs/dbraw/zinc/88/15/78/510881578.db2.gz LYKNHAYXOQCLDC-SFHVURJKSA-N 0 0 366.421 2.999 20 10 FFCDRN COc1ccc(Cl)cc1N1C[C@H](C(=O)NCc2ccc(N)cc2)CC1=O ZINC000297330995 510904705 /nfs/dbraw/zinc/90/47/05/510904705.db2.gz XRCSGLCZJFXGCT-CYBMUJFWSA-N 0 0 373.840 2.600 20 10 FFCDRN CC(=O)Nc1ccc(C)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000275687220 510910681 /nfs/dbraw/zinc/91/06/81/510910681.db2.gz OYQJUTFHZCPHOK-UHFFFAOYSA-N 0 0 367.449 2.720 20 10 FFCDRN CCOC(=O)[C@@H](F)C1CN(C(=O)NCc2ccc(N(CC)CC)cc2)C1 ZINC000297360038 510916506 /nfs/dbraw/zinc/91/65/06/510916506.db2.gz LLNKYMQMRBXXHJ-KRWDZBQOSA-N 0 0 365.449 2.575 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(C2CC2)n(CC)n1 ZINC000275812261 510919200 /nfs/dbraw/zinc/91/92/00/510919200.db2.gz CUNLTZFKPJOQKK-UHFFFAOYSA-N 0 0 370.453 2.863 20 10 FFCDRN CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276064609 510926506 /nfs/dbraw/zinc/92/65/06/510926506.db2.gz LBPWVXFGSLKWRD-ZDUSSCGKSA-N 0 0 372.421 2.571 20 10 FFCDRN CCSc1cccc(NC(=O)C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000276064222 510926600 /nfs/dbraw/zinc/92/66/00/510926600.db2.gz KXRAJKUEOFPOPK-GFCCVEGCSA-N 0 0 374.462 2.896 20 10 FFCDRN Cc1cc(N2CCC([NH2+]Cc3cc(Cl)cc([N+](=O)[O-])c3[O-])CC2)n[nH]1 ZINC000276107152 510927895 /nfs/dbraw/zinc/92/78/95/510927895.db2.gz XGORUHCAMHUDID-UHFFFAOYSA-N 0 0 365.821 2.744 20 10 FFCDRN COc1ccc2[nH]c(C(=O)NCc3ccc(N4CCOCC4)cc3)cc2c1 ZINC000276202823 510930539 /nfs/dbraw/zinc/93/05/39/510930539.db2.gz JULHPBRCBZTNIG-UHFFFAOYSA-N 0 0 365.433 2.943 20 10 FFCDRN O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1c(F)ccc(O)c1O ZINC000276563516 510942604 /nfs/dbraw/zinc/94/26/04/510942604.db2.gz JLJCHKFAHHOEGS-UHFFFAOYSA-N 0 0 358.369 2.906 20 10 FFCDRN CC(C)(C)OC(=O)NCC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000276637390 510943907 /nfs/dbraw/zinc/94/39/07/510943907.db2.gz UIQNSEPUNCERGG-UHFFFAOYSA-N 0 0 368.405 2.614 20 10 FFCDRN CCOCc1cc(CN[C@@H](C(=O)OC)c2cccc(O)c2)ccc1OC ZINC000276796739 510947299 /nfs/dbraw/zinc/94/72/99/510947299.db2.gz USLDYQPVLLCNBS-LJQANCHMSA-N 0 0 359.422 2.941 20 10 FFCDRN Cc1nn(C)c(C)c1CCC(=O)NCc1cccc(Br)c1O ZINC000277411236 510961657 /nfs/dbraw/zinc/96/16/57/510961657.db2.gz CFUGRALDWRORCT-UHFFFAOYSA-N 0 0 366.259 2.754 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(CO)(Cc3ccccc3)CC2)c(O)c1O ZINC000277581587 510966019 /nfs/dbraw/zinc/96/60/19/510966019.db2.gz CGPIDAKWYWVGMT-UHFFFAOYSA-N 0 0 355.434 2.864 20 10 FFCDRN COc1cccc(CNC(=O)CC[C@H](C)NC(=O)OC(C)(C)C)c1O ZINC000277852845 510974770 /nfs/dbraw/zinc/97/47/70/510974770.db2.gz ZPFPQSLSBYUTAA-LBPRGKRZSA-N 0 0 352.431 2.710 20 10 FFCDRN C[C@H]1C[C@H](CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000278220324 510985244 /nfs/dbraw/zinc/98/52/44/510985244.db2.gz XBUTVGDMXSVOHR-NWDGAFQWSA-N 0 0 352.818 2.625 20 10 FFCDRN COc1c(O)c(CN2CCO[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278238707 510986748 /nfs/dbraw/zinc/98/67/48/510986748.db2.gz NQFTXOVEIANMMM-CQSZACIVSA-N 0 0 350.396 2.944 20 10 FFCDRN COc1c([O-])c(C[NH+]2CCC(C(=O)OC(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000278236168 510987071 /nfs/dbraw/zinc/98/70/71/510987071.db2.gz NGHVAPRASCYUCT-UHFFFAOYSA-N 0 0 366.414 2.863 20 10 FFCDRN COCC1(CNC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCC1 ZINC000282468777 510989926 /nfs/dbraw/zinc/98/99/26/510989926.db2.gz MFQJKXDDEYEAHP-QGZVFWFLSA-N 0 0 362.470 2.900 20 10 FFCDRN C[C@@H]1OCC[C@@H]1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000361103283 510992754 /nfs/dbraw/zinc/99/27/54/510992754.db2.gz NSKDWKMTUZYRFP-LRDDRELGSA-N 0 0 354.397 2.798 20 10 FFCDRN C[C@H]1C[C@H](NC(=O)NCc2ccccc2O)CCN1C(=O)OC(C)(C)C ZINC000278866769 511011972 /nfs/dbraw/zinc/01/19/72/511011972.db2.gz XQGYDYRVKWIOSA-DZGCQCFKSA-N 0 0 363.458 2.979 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3c[nH]nc3-c3ccoc3)CC2)cc1F ZINC000279085879 511018530 /nfs/dbraw/zinc/01/85/30/511018530.db2.gz BUCRKTSXAUMQPH-UHFFFAOYSA-N 0 0 370.384 2.780 20 10 FFCDRN Cc1nc[nH]c1CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000279167400 511020479 /nfs/dbraw/zinc/02/04/79/511020479.db2.gz GQEPYJYSKNTGHT-GOSISDBHSA-N 0 0 356.470 2.534 20 10 FFCDRN O=C(NC1CCCCC1)OC[C@H]1CCCN1C(=O)c1cccc(O)c1O ZINC000286444033 511026387 /nfs/dbraw/zinc/02/63/87/511026387.db2.gz HCJBOUFYVRZFOG-CQSZACIVSA-N 0 0 362.426 2.761 20 10 FFCDRN Cc1cccc(CCCNC(=O)NCc2ccc(N3CCOCC3)cc2)n1 ZINC000286886143 511035045 /nfs/dbraw/zinc/03/50/45/511035045.db2.gz NGOFDUACAOUOBW-UHFFFAOYSA-N 0 0 368.481 2.659 20 10 FFCDRN CCc1nc([C@H](C)NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)cs1 ZINC000286971433 511037646 /nfs/dbraw/zinc/03/76/46/511037646.db2.gz 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ZINC000289072782 511093178 /nfs/dbraw/zinc/09/31/78/511093178.db2.gz AJOTZZHLQNHSJU-UHFFFAOYSA-N 0 0 359.451 2.783 20 10 FFCDRN COC(=O)[C@@H](NCc1cc(F)cc(C(C)=O)c1O)c1ccc2c(c1)CCO2 ZINC000289345214 511097759 /nfs/dbraw/zinc/09/77/59/511097759.db2.gz MHMNXPHVFACJLG-SFHVURJKSA-N 0 0 373.380 2.673 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N2C[C@H](OC)Cc3ccccc32)cn1 ZINC000282773345 511106734 /nfs/dbraw/zinc/10/67/34/511106734.db2.gz VAUVKDSMYKIELF-MRXNPFEDSA-N 0 0 365.437 2.521 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@H](F)C1CN(C(=O)OC(C)(C)C)C1 ZINC000289692162 511108675 /nfs/dbraw/zinc/10/86/75/511108675.db2.gz CYHOGTGNLYPKPP-OAHLLOKOSA-N 0 0 352.406 2.556 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000289697781 511110520 /nfs/dbraw/zinc/11/05/20/511110520.db2.gz NMJOFMRITOOQMH-UHFFFAOYSA-N 0 0 371.256 2.946 20 10 FFCDRN Cc1ccccc1[C@H](C)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000271204554 511119997 /nfs/dbraw/zinc/11/99/97/511119997.db2.gz JSRDOPLDMFYFIW-ZDUSSCGKSA-N 0 0 362.451 2.905 20 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CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2cc3cc(O)c(O)cc3s2)C1 ZINC000898983500 735429814 /nfs/dbraw/zinc/42/98/14/735429814.db2.gz BQBXNSBQCZXIAP-LLVKDONJSA-N 0 0 362.451 2.689 20 10 FFCDRN C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000028669455 727886860 /nfs/dbraw/zinc/88/68/60/727886860.db2.gz GKEOIBMPPXALHG-ZDUSSCGKSA-N 0 0 359.857 2.841 20 10 FFCDRN Cc1ccc(C(=O)N(C)Cc2ccc(N(C)C)cc2)cc1S(C)(=O)=O ZINC000044915618 727994030 /nfs/dbraw/zinc/99/40/30/727994030.db2.gz AFZOXNSLKRSTDQ-UHFFFAOYSA-N 0 0 360.479 2.737 20 10 FFCDRN C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)c1ccc(F)c(F)c1 ZINC000055109831 728095144 /nfs/dbraw/zinc/09/51/44/728095144.db2.gz FMGPNBSBPIBPMZ-SECBINFHSA-N 0 0 370.377 2.533 20 10 FFCDRN CCCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 ZINC000063849096 728138922 /nfs/dbraw/zinc/13/89/22/728138922.db2.gz PTKAAPUDVCABPU-UHFFFAOYSA-N 0 0 372.443 2.778 20 10 FFCDRN Cc1csc(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)n1 ZINC000065434574 728156768 /nfs/dbraw/zinc/15/67/68/728156768.db2.gz OXYFSESULDFMTD-CQSZACIVSA-N 0 0 360.483 2.849 20 10 FFCDRN Cc1cc(C(=O)Nc2n[nH]c(C(F)(F)F)n2)c(C)n1-c1ccccn1 ZINC000071949407 728209908 /nfs/dbraw/zinc/20/99/08/728209908.db2.gz DBYLFZPIFZAXPM-UHFFFAOYSA-N 0 0 350.304 2.878 20 10 FFCDRN CSCC[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000077348570 728274038 /nfs/dbraw/zinc/27/40/38/728274038.db2.gz OYWHFPOIJDAVDI-CYBMUJFWSA-N 0 0 355.479 2.603 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2sccc2-n2cnnn2)cc1 ZINC000079391101 728312559 /nfs/dbraw/zinc/31/25/59/728312559.db2.gz HOOXBFYGIYXNKV-UHFFFAOYSA-N 0 0 356.455 2.500 20 10 FFCDRN COc1cccc(CNC(=O)c2ncccc2OCC(F)(F)F)c1O ZINC000084388544 728420015 /nfs/dbraw/zinc/42/00/15/728420015.db2.gz WHEDSETUFKWEOF-UHFFFAOYSA-N 0 0 356.300 2.667 20 10 FFCDRN CCCN(CC(=O)OCC)Cc1cc(Br)cc(OC)c1O ZINC000092380354 728466954 /nfs/dbraw/zinc/46/69/54/728466954.db2.gz MYVIAZNKRLCOTD-UHFFFAOYSA-N 0 0 360.248 2.938 20 10 FFCDRN O=C(COc1ccc(Br)cc1)NCCc1ccc(O)c(O)c1 ZINC000098074554 728484164 /nfs/dbraw/zinc/48/41/64/728484164.db2.gz JQKDZYNSPYVBJW-UHFFFAOYSA-N 0 0 366.211 2.598 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CNC(=O)c2c(F)cccc2Cl)cc1 ZINC000107342355 728515675 /nfs/dbraw/zinc/51/56/75/728515675.db2.gz BPGVKAGTRYPLDM-UHFFFAOYSA-N 0 0 363.820 2.591 20 10 FFCDRN CN(C[C@H]1CCCOC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000107737623 728517404 /nfs/dbraw/zinc/51/74/04/728517404.db2.gz ZKQUVHLMBGHCFU-QGZVFWFLSA-N 0 0 363.527 2.808 20 10 FFCDRN COC(=O)CN(CC(=O)NCCC(C)(C)C)Cc1cc(Cl)ccc1O ZINC000111238313 728535479 /nfs/dbraw/zinc/53/54/79/728535479.db2.gz VZJJZPMLUVJZFD-UHFFFAOYSA-N 0 0 370.877 2.573 20 10 FFCDRN CCC(CC)[C@@H](O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000111472023 728536602 /nfs/dbraw/zinc/53/66/02/728536602.db2.gz LKZWERJTQPPXIQ-SFHVURJKSA-N 0 0 365.543 2.836 20 10 FFCDRN CCS(=O)(=O)c1ccccc1C(=O)NCCCSc1nccs1 ZINC000114139989 728559143 /nfs/dbraw/zinc/55/91/43/728559143.db2.gz OYLOAOMFGFDJMU-UHFFFAOYSA-N 0 0 370.521 2.849 20 10 FFCDRN Cn1cc(-c2ncc(C(=O)NCCCSc3nccs3)s2)cn1 ZINC000114375038 728559934 /nfs/dbraw/zinc/55/99/34/728559934.db2.gz ZBSFKKQZHKPXLS-UHFFFAOYSA-N 0 0 365.509 2.912 20 10 FFCDRN COc1ccc(O)c(CNC(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000114544182 728561290 /nfs/dbraw/zinc/56/12/90/728561290.db2.gz AUUXXVQMXSEDEA-UHFFFAOYSA-N 0 0 356.300 2.667 20 10 FFCDRN COc1cccc(CS(=O)(=O)NCCCSc2nccs2)c1 ZINC000117922969 728579876 /nfs/dbraw/zinc/57/98/76/728579876.db2.gz YCNFMJBRAXQYBK-UHFFFAOYSA-N 0 0 358.510 2.754 20 10 FFCDRN COC(=O)CN(CCc1c(C)noc1C)Cc1cc(Cl)ccc1O ZINC000119345900 728592322 /nfs/dbraw/zinc/59/23/22/728592322.db2.gz TZYAKGKWNHWZLH-UHFFFAOYSA-N 0 0 352.818 2.868 20 10 FFCDRN C[C@H]1CN(C)c2ccccc2N(S(=O)(=O)c2cccc3nonc32)C1 ZINC000120973136 728618404 /nfs/dbraw/zinc/61/84/04/728618404.db2.gz IECYXHIMMIOKJO-LBPRGKRZSA-N 0 0 358.423 2.504 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@H]([C@H](C)O)C2)cc1F ZINC000121843552 728640338 /nfs/dbraw/zinc/64/03/38/728640338.db2.gz ROARGEPBNVHRNM-HOCLYGCPSA-N 0 0 351.466 2.974 20 10 FFCDRN Cc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)c(C)n1-c1ccccc1C ZINC000121871938 728640779 /nfs/dbraw/zinc/64/07/79/728640779.db2.gz WHDZCOGOVPQVMR-OAHLLOKOSA-N 0 0 360.479 2.662 20 10 FFCDRN C[C@@H](CCNC(=O)NCc1ccc(N2CCC(C)CC2)cc1)[S@@](C)=O ZINC000122496092 728648076 /nfs/dbraw/zinc/64/80/76/728648076.db2.gz XVQBSWSXTNWYAZ-LMKMVOKYSA-N 0 0 365.543 2.879 20 10 FFCDRN COCCN(C(=O)/C=C/c1cccnc1)c1cccc(Br)n1 ZINC000122531321 728648622 /nfs/dbraw/zinc/64/86/22/728648622.db2.gz PKQNHDVMBAQWQU-BQYQJAHWSA-N 0 0 362.227 2.932 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1ccc(Cl)cc1F ZINC000134611561 728731426 /nfs/dbraw/zinc/73/14/26/728731426.db2.gz UJDRMEFQRCTFCH-VIFPVBQESA-N 0 0 366.776 2.576 20 10 FFCDRN CCS(=O)(=O)NCCCN(Cc1ccco1)c1ccc(OC)c(F)c1 ZINC000151750799 728746701 /nfs/dbraw/zinc/74/67/01/728746701.db2.gz PHTMYOUQUCYFOV-UHFFFAOYSA-N 0 0 370.446 2.763 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCCOCC(F)(F)F)c1 ZINC000171740139 729011454 /nfs/dbraw/zinc/01/14/54/729011454.db2.gz ILIWUFKGPBTPFG-SNVBAGLBSA-N 0 0 350.337 2.730 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2c(C)cccc2[N+](=O)[O-])c1 ZINC000751318640 735863693 /nfs/dbraw/zinc/86/36/93/735863693.db2.gz NLUNUTQTIVUDOL-LLVKDONJSA-N 0 0 366.395 2.657 20 10 FFCDRN NC(=O)c1ccc(F)c(NC(=O)NCCCSc2nccs2)c1 ZINC000177242662 729132539 /nfs/dbraw/zinc/13/25/39/729132539.db2.gz CNLULNIQVAMRAM-UHFFFAOYSA-N 0 0 354.432 2.685 20 10 FFCDRN C[C@H](NC(=O)NCCCSc1nccs1)c1nnc2ccccn21 ZINC000177739576 729145532 /nfs/dbraw/zinc/14/55/32/729145532.db2.gz QFLROKPBTKMWJW-NSHDSACASA-N 0 0 362.484 2.728 20 10 FFCDRN Cc1ccc(F)cc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000177763812 729145891 /nfs/dbraw/zinc/14/58/91/729145891.db2.gz PLOLFFZDXBCXQZ-UHFFFAOYSA-N 0 0 353.444 2.828 20 10 FFCDRN Cc1nccn1C[C@H](C)CNC(=O)NCCCSc1nccs1 ZINC000177807863 729146597 /nfs/dbraw/zinc/14/65/97/729146597.db2.gz MCABQSCVMYBOHS-GFCCVEGCSA-N 0 0 353.517 2.766 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(Cl)cnc1N ZINC000178938139 729174025 /nfs/dbraw/zinc/17/40/25/729174025.db2.gz MJEUZCXWWMBETG-UHFFFAOYSA-N 0 0 368.890 2.594 20 10 FFCDRN CCC[N@H+](Cc1cccc(Br)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000179642194 729191125 /nfs/dbraw/zinc/19/11/25/729191125.db2.gz OBXQQAWCYCIVLZ-LBPRGKRZSA-N 0 0 362.289 2.554 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000181860349 729259824 /nfs/dbraw/zinc/25/98/24/729259824.db2.gz XTFXBIIRDBVTTJ-UHFFFAOYSA-N 0 0 373.400 2.987 20 10 FFCDRN CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000183432160 729304127 /nfs/dbraw/zinc/30/41/27/729304127.db2.gz UITLXBIEEZRGGL-ONGXEEELSA-N 0 0 350.440 2.931 20 10 FFCDRN Cc1ccccc1C[C@H](CO)NC(=O)NCCCSc1nccs1 ZINC000190249137 729406171 /nfs/dbraw/zinc/40/61/71/729406171.db2.gz AYYWFRHJUCXWOP-OAHLLOKOSA-N 0 0 365.524 2.837 20 10 FFCDRN COc1cc(CN2CC[C@H](C)S(=O)(=O)CC2)c(O)c(C(C)(C)C)c1 ZINC000191315314 729415857 /nfs/dbraw/zinc/41/58/57/729415857.db2.gz INVMMVZKYWVMOU-ZDUSSCGKSA-N 0 0 355.500 2.707 20 10 FFCDRN COc1cccc(C(=O)NCCCSc2nccs2)c1[N+](=O)[O-] ZINC000192564992 729452416 /nfs/dbraw/zinc/45/24/16/729452416.db2.gz CERBUNNBCSKICQ-UHFFFAOYSA-N 0 0 353.425 2.972 20 10 FFCDRN CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccc(O)c(O)c2)cc1 ZINC000778928809 738422039 /nfs/dbraw/zinc/42/20/39/738422039.db2.gz BYHCEVBLXAMATR-NSHDSACASA-N 0 0 360.435 2.853 20 10 FFCDRN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1Br ZINC000194134730 729500637 /nfs/dbraw/zinc/50/06/37/729500637.db2.gz AGQQCVYRMNNELS-UHFFFAOYSA-N 0 0 373.184 2.864 20 10 FFCDRN Cc1cc(C(=O)N[C@]2(C)CCS(=O)(=O)C2)c(C)n1-c1ccccc1C ZINC000248078358 729601685 /nfs/dbraw/zinc/60/16/85/729601685.db2.gz CFBXQFVXOSIQOX-LJQANCHMSA-N 0 0 360.479 2.710 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H]1CCCc2c1cnn2CCO ZINC000314611358 729746730 /nfs/dbraw/zinc/74/67/30/729746730.db2.gz FLSPVOOTSOGMDD-CQSZACIVSA-N 0 0 366.259 2.511 20 10 FFCDRN CCN(CC)c1ccc(CNc2cc(S(N)(=O)=O)ccc2OC)cc1 ZINC000326916778 729791417 /nfs/dbraw/zinc/79/14/17/729791417.db2.gz QAKPPRMQWXGBBQ-UHFFFAOYSA-N 0 0 363.483 2.801 20 10 FFCDRN Cc1ccccc1S(=O)(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000327245108 729792510 /nfs/dbraw/zinc/79/25/10/729792510.db2.gz NKGIALOUMIJEOU-UHFFFAOYSA-N 0 0 360.479 2.652 20 10 FFCDRN CCN(CC)c1ccc(CN2CC[C@@H](OC)C[C@@H]2C(=O)OC)cc1F ZINC000779143337 738439933 /nfs/dbraw/zinc/43/99/33/738439933.db2.gz GKPHZMCDGROOHN-CRAIPNDOSA-N 0 0 352.450 2.824 20 10 FFCDRN CCS[C@@H](C)c1noc(CN(C)C(=O)/C=C/c2ccc(O)c(O)c2)n1 ZINC000779534823 738469154 /nfs/dbraw/zinc/46/91/54/738469154.db2.gz RPQHQSABIBRQBM-IOCXFXADSA-N 0 0 363.439 2.967 20 10 FFCDRN OC1CCN(c2ccc(CNc3cnc(Br)cn3)cc2)CC1 ZINC000856772137 730356400 /nfs/dbraw/zinc/35/64/00/730356400.db2.gz RKRUWLCZLXVCKB-UHFFFAOYSA-N 0 0 363.259 2.812 20 10 FFCDRN O=S1(=O)Cc2ccccc2[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000857058572 730376743 /nfs/dbraw/zinc/37/67/43/730376743.db2.gz QLGSJTSPKGLAMF-OAHLLOKOSA-N 0 0 355.818 2.944 20 10 FFCDRN CCn1ncc(Cl)c1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000857297090 730389641 /nfs/dbraw/zinc/38/96/41/730389641.db2.gz DSWXLEUCERQVGP-UHFFFAOYSA-N 0 0 350.850 2.773 20 10 FFCDRN CC(C)(C)OC(=O)[C@H](CNC(=O)c1c(F)ccc(O)c1O)C1CCC1 ZINC000857341866 730392627 /nfs/dbraw/zinc/39/26/27/730392627.db2.gz JJDFVYRCUHODSB-LLVKDONJSA-N 0 0 353.390 2.725 20 10 FFCDRN C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000857864248 730413143 /nfs/dbraw/zinc/41/31/43/730413143.db2.gz GJADKZJGVIURBU-SKDRFNHKSA-N 0 0 364.243 2.860 20 10 FFCDRN CN(C)c1cc(F)c(CNCc2ccc(S(C)(=O)=O)cc2)cc1F ZINC000858108441 730416768 /nfs/dbraw/zinc/41/67/68/730416768.db2.gz GNRNBMRAFZQXRA-UHFFFAOYSA-N 0 0 354.422 2.724 20 10 FFCDRN CS[C@H](CO)[C@H](C)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC000860162616 730482526 /nfs/dbraw/zinc/48/25/26/730482526.db2.gz QYLKIVHDUBQRBH-SCLBCKFNSA-N 0 0 360.479 2.749 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@H]3C[C@@]3(C)Br)C2)cc1 ZINC000862035165 730663237 /nfs/dbraw/zinc/66/32/37/730663237.db2.gz KQFQQJICMOUNKZ-SRCQZFHVSA-N 0 0 367.287 2.811 20 10 FFCDRN CC(C)(C)C(=O)N1CCN(Cc2c(O)cccc2Br)CC1 ZINC000862216298 730676996 /nfs/dbraw/zinc/67/69/96/730676996.db2.gz KXFMTGQNTGYSAO-UHFFFAOYSA-N 0 0 355.276 2.845 20 10 FFCDRN CCOC(=O)N[C@H]1CCCN(Cc2c(O)cccc2Br)C1 ZINC000862219298 730677531 /nfs/dbraw/zinc/67/75/31/730677531.db2.gz KFECAEYSNZBCEO-NSHDSACASA-N 0 0 357.248 2.865 20 10 FFCDRN O=C1CCCN1[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862240421 730680154 /nfs/dbraw/zinc/68/01/54/730680154.db2.gz PLMIHZBPROOFFP-LBPRGKRZSA-N 0 0 353.260 2.742 20 10 FFCDRN O=S1(=O)CCN(Cc2c(O)cccc2Br)[C@H]2CCCC[C@@H]21 ZINC000862244052 730680721 /nfs/dbraw/zinc/68/07/21/730680721.db2.gz VGLYQCDMEMRCKX-ZFWWWQNUSA-N 0 0 374.300 2.696 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCC([C@H](O)c3ncc[nH]3)CC2)cc1F ZINC000862347658 730690612 /nfs/dbraw/zinc/69/06/12/730690612.db2.gz KBMJIJOUBHSUBR-KRWDZBQOSA-N 0 0 350.413 2.700 20 10 FFCDRN O=S1(=O)CC[C@@]2(C1)CCCN(Cc1c(O)cccc1Br)C2 ZINC000862387757 730695656 /nfs/dbraw/zinc/69/56/56/730695656.db2.gz PZJUTTPQEALDQV-HNNXBMFYSA-N 0 0 374.300 2.555 20 10 FFCDRN COCCN(Cc1c(O)cccc1Br)C[C@H](O)C(F)(F)F ZINC000862402970 730697603 /nfs/dbraw/zinc/69/76/03/730697603.db2.gz UKJATRRGQWHBJP-LBPRGKRZSA-N 0 0 372.181 2.526 20 10 FFCDRN C[C@](CO)(NCc1c(O)cccc1Br)c1cccc(O)c1 ZINC000862432771 730702292 /nfs/dbraw/zinc/70/22/92/730702292.db2.gz MMCFEPPWPJQEFS-MRXNPFEDSA-N 0 0 352.228 2.858 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@H](O)Cc2cccc(C(F)(F)F)c2)c1 ZINC000862757205 730723752 /nfs/dbraw/zinc/72/37/52/730723752.db2.gz LFJKQYJGXDDBEE-MRXNPFEDSA-N 0 0 353.340 2.939 20 10 FFCDRN Cc1ccc(NC(=O)CSCC(=O)NCc2cc(C)ccc2O)cc1 ZINC000862761589 730723987 /nfs/dbraw/zinc/72/39/87/730723987.db2.gz UGUGJQGFKPLIJA-UHFFFAOYSA-N 0 0 358.463 2.997 20 10 FFCDRN C/C=C\C[C@@H]1CCCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000863819197 730810511 /nfs/dbraw/zinc/81/05/11/730810511.db2.gz RTDLAHKMUIBDGD-DHCBQETCSA-N 0 0 352.456 2.582 20 10 FFCDRN Cc1ccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c(F)c1 ZINC000864356480 730841325 /nfs/dbraw/zinc/84/13/25/730841325.db2.gz OZMYKSCULOFLRS-PTNGSMBKSA-N 0 0 366.483 2.668 20 10 FFCDRN COCc1sccc1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000864930611 730892900 /nfs/dbraw/zinc/89/29/00/730892900.db2.gz DUNFTUASBXEBHU-UHFFFAOYSA-N 0 0 364.442 2.800 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)C[C@]2(C)CC2(Cl)Cl)cc1 ZINC000866424444 731058467 /nfs/dbraw/zinc/05/84/67/731058467.db2.gz IPXUWOXAFFEMKS-ZDUSSCGKSA-N 0 0 351.299 2.756 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)c1ccc(F)cc1[O-] ZINC000866491994 731066220 /nfs/dbraw/zinc/06/62/20/731066220.db2.gz BQCGLLGGDRUAAN-PEYYIBSZSA-N 0 0 354.422 2.552 20 10 FFCDRN C[C@H](NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccccc1O ZINC000867835057 731232142 /nfs/dbraw/zinc/23/21/42/731232142.db2.gz ZZKVGXVWLPYUEP-LXIYXOSZSA-N 0 0 351.468 2.768 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3cn[nH]n3)cc2Cl)C1 ZINC000868064582 731256068 /nfs/dbraw/zinc/25/60/68/731256068.db2.gz CILQUNNDCHNILP-CYBMUJFWSA-N 0 0 361.877 2.943 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cnn(C(F)F)c3)C2)cc1 ZINC000868957190 731348649 /nfs/dbraw/zinc/34/86/49/731348649.db2.gz XWRRDFSHFCLLRR-GFCCVEGCSA-N 0 0 350.369 2.543 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](C)CC(F)(F)F)CC2)c(OC)c1 ZINC000870165654 731478287 /nfs/dbraw/zinc/47/82/87/731478287.db2.gz IGNVVSRNPFKTPM-GFCCVEGCSA-N 0 0 360.376 2.941 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)C(F)(F)F)CC2)c(OC)c1 ZINC000870166683 731478294 /nfs/dbraw/zinc/47/82/94/731478294.db2.gz SWQWNJNZWZCBNC-LBPRGKRZSA-N 0 0 360.376 2.941 20 10 FFCDRN Cc1cc(NS(=O)(=O)C[C@@]2(OC(C)C)CCOC2)c(C)c(C)c1O ZINC000872363811 731756537 /nfs/dbraw/zinc/75/65/37/731756537.db2.gz RSVYPJTZBKEUEK-QGZVFWFLSA-N 0 0 357.472 2.643 20 10 FFCDRN [NH3+]C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@H]1C(F)(F)F ZINC000873227504 731893543 /nfs/dbraw/zinc/89/35/43/731893543.db2.gz KTLFRKIQJIEDBY-WCBMZHEXSA-N 0 0 353.728 2.523 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])C1 ZINC000780566496 738556927 /nfs/dbraw/zinc/55/69/27/738556927.db2.gz KUMWTFMOOGXWBO-CYBMUJFWSA-N 0 0 351.403 2.790 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3csc(C4CC4)n3)CC2)cc1 ZINC000873778812 731962854 /nfs/dbraw/zinc/96/28/54/731962854.db2.gz KSUDXEQSEODDNZ-UHFFFAOYSA-N 0 0 357.479 2.920 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCO[C@@H](C(F)(F)F)CC2)cc1F ZINC000875179729 732133653 /nfs/dbraw/zinc/13/36/53/732133653.db2.gz FISDTVSEEXZLMZ-CQSZACIVSA-N 0 0 363.355 2.755 20 10 FFCDRN C[C@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)C[C@@](C)(C(F)F)O1 ZINC000877644189 732404262 /nfs/dbraw/zinc/40/42/62/732404262.db2.gz SEVMKEWQMKBKIV-LIRRHRJNSA-N 0 0 354.441 2.892 20 10 FFCDRN Cc1cc(Cl)cc(CN2CCc3c(cccc3S(N)(=O)=O)C2)c1O ZINC000877761682 732425218 /nfs/dbraw/zinc/42/52/18/732425218.db2.gz MQCBJHGDROZFHJ-UHFFFAOYSA-N 0 0 366.870 2.560 20 10 FFCDRN O=C1N[C@H](c2c(O)cccc2Br)N2Cc3ccccc3C[C@@H]12 ZINC000877865672 732445889 /nfs/dbraw/zinc/44/58/89/732445889.db2.gz HCOLWWNEKRZKTI-BBRMVZONSA-N 0 0 359.223 2.710 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c2c(nn1C)CCSC2 ZINC000878008429 732466890 /nfs/dbraw/zinc/46/68/90/732466890.db2.gz IDTJSGSDPHABFT-UHFFFAOYSA-N 0 0 358.511 2.938 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000879888455 732798080 /nfs/dbraw/zinc/79/80/80/732798080.db2.gz LHLQVOVRLMBTSX-OSYLJGHBSA-N 0 0 365.495 2.877 20 10 FFCDRN CC(=O)c1cc(Cl)cc(Cn2cc(CCCCCCO)nn2)c1O ZINC000880999089 733002210 /nfs/dbraw/zinc/00/22/10/733002210.db2.gz GEHPQUMCWQFGCP-UHFFFAOYSA-N 0 0 351.834 2.983 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3nn(C)cc3Cl)CC2)cc1F ZINC000881182302 733022963 /nfs/dbraw/zinc/02/29/63/733022963.db2.gz ZMSACJNKSNGBND-UHFFFAOYSA-N 0 0 367.812 2.575 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)C(F)F ZINC000881282659 733035103 /nfs/dbraw/zinc/03/51/03/733035103.db2.gz PICYCQGGNWTHNQ-UTUOFQBUSA-N 0 0 359.392 2.892 20 10 FFCDRN CCN(Cc1cc(C)cc(Br)c1O)[C@H](C)CS(C)(=O)=O ZINC000781914748 738671910 /nfs/dbraw/zinc/67/19/10/738671910.db2.gz ZLDGOLJQMREIJT-LLVKDONJSA-N 0 0 364.305 2.718 20 10 FFCDRN O=S(=O)(CC[C@H]1CCCCO1)NCc1ccc(N2CCCC2)cc1 ZINC000881785219 733108264 /nfs/dbraw/zinc/10/82/64/733108264.db2.gz DBNGUEISASJULC-GOSISDBHSA-N 0 0 352.500 2.665 20 10 FFCDRN C[C@H](NS(=O)(=O)C[C@@]1(C)CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000881813238 733113665 /nfs/dbraw/zinc/11/36/65/733113665.db2.gz YERUXSBOUSBDGS-XJKSGUPXSA-N 0 0 374.453 2.549 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)[C@@H]3C[C@@H]4CC[C@H]3O4)cc2)CC1 ZINC000881871856 733124510 /nfs/dbraw/zinc/12/45/10/733124510.db2.gz XPZYCWKKAVBXHO-IPMKNSEASA-N 0 0 364.511 2.662 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)[C@H]2CCOC[C@@H]2C)cc1F ZINC000881873439 733124895 /nfs/dbraw/zinc/12/48/95/733124895.db2.gz AGIAZLVYSRMWGU-GUYCJALGSA-N 0 0 358.479 2.516 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)Nc1ccc2nnc(C(F)(F)F)n2n1 ZINC000782041070 738682912 /nfs/dbraw/zinc/68/29/12/738682912.db2.gz FQJXHRQYMFNWRH-MRVPVSSYSA-N 0 0 353.304 2.597 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)c1cnc(C(=O)OC)cn1 ZINC000882114165 733173532 /nfs/dbraw/zinc/17/35/32/733173532.db2.gz OTKPIITWVCDOPQ-UHFFFAOYSA-N 0 0 366.215 2.758 20 10 FFCDRN CCOCCOCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000927085596 738689494 /nfs/dbraw/zinc/68/94/94/738689494.db2.gz AUZSWMBENWDNQG-JTQLQIEISA-N 0 0 350.228 2.998 20 10 FFCDRN COc1cc(NS(=O)(=O)C2(COCc3ccccc3)CC2)ccc1O ZINC000882722189 733279380 /nfs/dbraw/zinc/27/93/80/733279380.db2.gz GFSFPPAOLDDCMT-UHFFFAOYSA-N 0 0 363.435 2.892 20 10 FFCDRN O=S1(=O)CCCN1c1cccc(NCc2cc(F)cc(F)c2O)c1 ZINC000882908432 733309959 /nfs/dbraw/zinc/30/99/59/733309959.db2.gz QXFGTXJOCJJQGK-UHFFFAOYSA-N 0 0 354.378 2.822 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)NC[C@H]1CCC2(CCOCC2)O1 ZINC000927187565 738702162 /nfs/dbraw/zinc/70/21/62/738702162.db2.gz SMLRPBZELUCYKO-CQSZACIVSA-N 0 0 354.834 2.573 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H](CO)C1CCOCC1 ZINC000883085975 733330152 /nfs/dbraw/zinc/33/01/52/733330152.db2.gz HYBAZIJTMZBHHQ-ZDUSSCGKSA-N 0 0 364.667 2.685 20 10 FFCDRN CCOC(=O)c1cc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])on1 ZINC000883197808 733349627 /nfs/dbraw/zinc/34/96/27/733349627.db2.gz TWEXACGKKGTWGI-UHFFFAOYSA-N 0 0 373.178 2.748 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@H](CO)Cc2ccoc2)c1 ZINC000883270574 733357922 /nfs/dbraw/zinc/35/79/22/733357922.db2.gz RFGYXBSAAWXPRY-CYBMUJFWSA-N 0 0 354.244 2.997 20 10 FFCDRN C[C@@H](NC(=O)NC[C@H](O)C(F)(F)C(F)(F)F)c1ccc(N(C)C)cc1 ZINC000883627907 733414006 /nfs/dbraw/zinc/41/40/06/733414006.db2.gz SZXAXZMZBWYZOQ-SKDRFNHKSA-N 0 0 369.334 2.671 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H](CO)C[C@H]1CCCO1 ZINC000886220393 733761029 /nfs/dbraw/zinc/76/10/29/733761029.db2.gz HKUCNNLKIYXYQT-NWDGAFQWSA-N 0 0 364.667 2.828 20 10 FFCDRN CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)c2c([O-])cccc2F)CC1 ZINC000886580429 733805969 /nfs/dbraw/zinc/80/59/69/733805969.db2.gz IOHYTNNNZFOYKL-CYBMUJFWSA-N 0 0 358.479 2.632 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](CCO)C(F)(F)F ZINC000889249357 734157089 /nfs/dbraw/zinc/15/70/89/734157089.db2.gz XKLXKNCXZOGYJV-WFASDCNBSA-N 0 0 361.408 2.605 20 10 FFCDRN COc1cc(CC(=O)NCc2cccc(Cl)c2O)cc(OC)c1OC ZINC000890758257 734336704 /nfs/dbraw/zinc/33/67/04/734336704.db2.gz MFYAVLNFYAEEQC-UHFFFAOYSA-N 0 0 365.813 2.930 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1O ZINC000890763148 734337097 /nfs/dbraw/zinc/33/70/97/734337097.db2.gz PEIVDGJDGLPENQ-RYUDHWBXSA-N 0 0 354.834 2.823 20 10 FFCDRN COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1O ZINC000890763572 734337226 /nfs/dbraw/zinc/33/72/26/734337226.db2.gz YJUVDYPUODKELB-ZDUSSCGKSA-N 0 0 372.849 2.592 20 10 FFCDRN O=C(C[NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])Nc1ccc(F)c(F)c1 ZINC000725842061 734395890 /nfs/dbraw/zinc/39/58/90/734395890.db2.gz ZPGPGEXSLLHDGY-UHFFFAOYSA-N 0 0 371.727 2.960 20 10 FFCDRN CCn1cc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cn1 ZINC000726132074 734410909 /nfs/dbraw/zinc/41/09/09/734410909.db2.gz UFSXBDRFMDSMFC-AWEZNQCLSA-N 0 0 359.499 2.787 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C/c2csc(-c3cccs3)n2)SC1=S ZINC000728610446 734533913 /nfs/dbraw/zinc/53/39/13/734533913.db2.gz IDHBDVOCDXIZQG-WTKPLQERSA-N 0 0 367.502 2.558 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)CSc2nncn2C(C)C)c1 ZINC000729536987 734582968 /nfs/dbraw/zinc/58/29/68/734582968.db2.gz QMYSGFIMFYTINS-NSHDSACASA-N 0 0 350.444 2.543 20 10 FFCDRN CS(=O)(=O)NCCOC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC000730602403 734642636 /nfs/dbraw/zinc/64/26/36/734642636.db2.gz WLOKXNZCOOASSB-UHFFFAOYSA-N 0 0 363.395 2.514 20 10 FFCDRN CC[C@]1(c2ccc(NC(=O)C3=CC(=O)CS3)cc2)CCC(=O)NC1=O ZINC000732276783 734729667 /nfs/dbraw/zinc/72/96/67/734729667.db2.gz QNPCUEUTRZUDLN-GOSISDBHSA-N 0 0 358.419 2.790 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)CS(C)(=O)=O)c(C)n1-c1cccc(Cl)c1 ZINC000733286723 734804161 /nfs/dbraw/zinc/80/41/61/734804161.db2.gz BWFXDLQOMBCWJK-NSHDSACASA-N 0 0 368.886 2.910 20 10 FFCDRN CCN(CC)c1ccc(CNCc2nc(Br)nn2C)cc1 ZINC000894195028 734816087 /nfs/dbraw/zinc/81/60/87/734816087.db2.gz UMHPGHGZZQWWLR-UHFFFAOYSA-N 0 0 352.280 2.714 20 10 FFCDRN CN(C)C(=O)NCC[N@H+](C)Cc1cc(Cl)cc(Br)c1[O-] ZINC000894376415 734848581 /nfs/dbraw/zinc/84/85/81/734848581.db2.gz ZAEJRDRYKYRLIJ-UHFFFAOYSA-N 0 0 364.671 2.511 20 10 FFCDRN COC(=O)c1cnc(CN(C)c2cc(OC)c(OC)c(OC)c2)s1 ZINC000894429286 734856777 /nfs/dbraw/zinc/85/67/77/734856777.db2.gz CLAGTPQRGLWJJQ-UHFFFAOYSA-N 0 0 352.412 2.592 20 10 FFCDRN CCCC(=O)N1CCCC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000733972116 734864490 /nfs/dbraw/zinc/86/44/90/734864490.db2.gz LLFREUDWDXOPSH-CYBMUJFWSA-N 0 0 355.529 2.923 20 10 FFCDRN COc1cc(C=O)ccc1OCC(=O)NCCCSc1nccs1 ZINC000733972496 734864530 /nfs/dbraw/zinc/86/45/30/734864530.db2.gz SEJXPBKGKRIBKS-UHFFFAOYSA-N 0 0 366.464 2.642 20 10 FFCDRN O=C(NCCCSc1nccs1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000733972936 734865001 /nfs/dbraw/zinc/86/50/01/734865001.db2.gz OGYXZCYEEBMVML-ZDUSSCGKSA-N 0 0 367.540 2.923 20 10 FFCDRN Cn1cc(C(=O)NCCCSc2nccs2)c(-c2cccnc2)n1 ZINC000733973474 734865077 /nfs/dbraw/zinc/86/50/77/734865077.db2.gz LFHCNUSNYBNZGL-UHFFFAOYSA-N 0 0 359.480 2.851 20 10 FFCDRN Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000734501865 734900257 /nfs/dbraw/zinc/90/02/57/734900257.db2.gz YXZOXTFZVDBBMA-UHFFFAOYSA-N 0 0 363.439 2.756 20 10 FFCDRN COCCc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC000734503608 734900658 /nfs/dbraw/zinc/90/06/58/734900658.db2.gz SQGZYWAYMBHBRV-UHFFFAOYSA-N 0 0 362.495 2.728 20 10 FFCDRN CN(c1ccc(CNC(=O)NCC[S@](C)=O)cc1)C1CCCCC1 ZINC000735095692 734929413 /nfs/dbraw/zinc/92/94/13/734929413.db2.gz JDMZNDGADMNULM-DEOSSOPVSA-N 0 0 351.516 2.633 20 10 FFCDRN O=C(NCCCN1CCCCCC1=O)c1cc2cc(O)c(O)cc2s1 ZINC000895437958 735005891 /nfs/dbraw/zinc/00/58/91/735005891.db2.gz SYQMCHCXQFCVQV-UHFFFAOYSA-N 0 0 362.451 2.835 20 10 FFCDRN C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc2c(cc1O)OCO2 ZINC000738108098 735021893 /nfs/dbraw/zinc/02/18/93/735021893.db2.gz COMMXDKUUGJIJA-GFCCVEGCSA-N 0 0 350.415 2.562 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2n[nH]cc2Br)cc1 ZINC000738477169 735034101 /nfs/dbraw/zinc/03/41/01/735034101.db2.gz GQBJMSBLXGCTIS-UHFFFAOYSA-N 0 0 366.263 2.580 20 10 FFCDRN O=C(NCCCSc1nccs1)c1ccnc(N2CCCCC2)n1 ZINC000739731073 735058193 /nfs/dbraw/zinc/05/81/93/735058193.db2.gz KKJVMNJGNKMHRU-UHFFFAOYSA-N 0 0 363.512 2.836 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N(C)C[C@H]2CCS(=O)(=O)C2)cc1 ZINC000740805781 735089049 /nfs/dbraw/zinc/08/90/49/735089049.db2.gz LEFQCVFTGZXGSS-MRXNPFEDSA-N 0 0 360.479 2.601 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH+]2CCC3(CC2)C[C@H](O)CCO3)c1 ZINC000897260843 735212176 /nfs/dbraw/zinc/21/21/76/735212176.db2.gz PGNXYBVHTLMNCY-CQSZACIVSA-N 0 0 370.287 2.969 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)ccc1[N+](=O)[O-] ZINC000897269244 735212976 /nfs/dbraw/zinc/21/29/76/735212976.db2.gz ABFXNOUQVLENOY-CQSZACIVSA-N 0 0 350.415 2.948 20 10 FFCDRN Cc1cc(CCNS(=O)(=O)Cc2ccon2)c(C)n1-c1ccccc1 ZINC000742271592 735217258 /nfs/dbraw/zinc/21/72/58/735217258.db2.gz OPIVTNQUCCTUET-UHFFFAOYSA-N 0 0 359.451 2.744 20 10 FFCDRN C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2[O-])C(=O)N1c1cnn(C)c1 ZINC000742390801 735235615 /nfs/dbraw/zinc/23/56/15/735235615.db2.gz PALRKVKKNCIOTM-YMTOWFKASA-N 0 0 369.252 2.716 20 10 FFCDRN CC(C)CS(=O)(=O)CCC(=O)NCc1ccc(N2CCCCC2)cc1 ZINC000742475789 735239614 /nfs/dbraw/zinc/23/96/14/735239614.db2.gz YVSKORDYRNFNOI-UHFFFAOYSA-N 0 0 366.527 2.754 20 10 FFCDRN CCN(CCCNC(=O)NCc1ccccc1O)C(=O)OC(C)(C)C ZINC000748459466 735646864 /nfs/dbraw/zinc/64/68/64/735646864.db2.gz GYEQVERBNMUCCS-UHFFFAOYSA-N 0 0 351.447 2.839 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1Br ZINC000748482140 735649329 /nfs/dbraw/zinc/64/93/29/735649329.db2.gz QKZBZDVTYXMRNZ-UHFFFAOYSA-N 0 0 363.211 2.718 20 10 FFCDRN O=C(N[C@@H]1CCCSC1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000748966169 735685767 /nfs/dbraw/zinc/68/57/67/735685767.db2.gz MTYBZJJMUCMVHQ-HZPDHXFCSA-N 0 0 350.484 2.978 20 10 FFCDRN COCc1cccc(NC(=O)C(=O)NCCCSc2nccs2)c1 ZINC000749731404 735742826 /nfs/dbraw/zinc/74/28/26/735742826.db2.gz OJPQQXPDZQDNGN-UHFFFAOYSA-N 0 0 365.480 2.527 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2cccc(Cl)n2)cc1 ZINC000750160701 735772966 /nfs/dbraw/zinc/77/29/66/735772966.db2.gz BIGNPYOLOCLPGE-UHFFFAOYSA-N 0 0 361.829 2.616 20 10 FFCDRN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2ccc(N(C)C)cc2C)C1 ZINC000750296494 735781339 /nfs/dbraw/zinc/78/13/39/735781339.db2.gz JUFAHZCZWZQPGY-UAYVVIHISA-N 0 0 365.543 2.940 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000751316750 735863036 /nfs/dbraw/zinc/86/30/36/735863036.db2.gz ARPXGXHOMMADQB-RYUDHWBXSA-N 0 0 363.435 2.764 20 10 FFCDRN CCOC(=O)CCCS(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000751355314 735865438 /nfs/dbraw/zinc/86/54/38/735865438.db2.gz CHQXUDCRSFCGRH-UHFFFAOYSA-N 0 0 369.483 2.810 20 10 FFCDRN CC(C)CS(=O)(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000751360657 735866334 /nfs/dbraw/zinc/86/63/34/735866334.db2.gz OCIUGNMCQWFZHG-OAHLLOKOSA-N 0 0 360.907 2.585 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1C ZINC000751536576 735891774 /nfs/dbraw/zinc/89/17/74/735891774.db2.gz ZOVMGTSODIRKGY-UHFFFAOYSA-N 0 0 364.423 2.729 20 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O=C(NCc1cccc(Br)c1O)Nn1cnc2ccccc21 ZINC000764756884 737046471 /nfs/dbraw/zinc/04/64/71/737046471.db2.gz IVJAOUDQPCHPCA-UHFFFAOYSA-N 0 0 361.199 2.958 20 10 FFCDRN Cc1csc(CNC(=O)NCc2cccc(Br)c2O)n1 ZINC000764758825 737046509 /nfs/dbraw/zinc/04/65/09/737046509.db2.gz VLVPOWFGDAWNFW-UHFFFAOYSA-N 0 0 356.245 2.919 20 10 FFCDRN CCN(Cc1ccccc1)S(=O)(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000765161052 737088745 /nfs/dbraw/zinc/08/87/45/737088745.db2.gz RNXYYZZYWAWGSN-UHFFFAOYSA-N 0 0 361.511 2.951 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cnn(-c2ccccc2)n1 ZINC000765728574 737149674 /nfs/dbraw/zinc/14/96/74/737149674.db2.gz WEKLHCSFMOSXEV-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cnc2ccccc2c1O ZINC000765746081 737152464 /nfs/dbraw/zinc/15/24/64/737152464.db2.gz DDIKFXKNGPCDIZ-UHFFFAOYSA-N 0 0 373.206 2.926 20 10 FFCDRN O=C(Cc1cn2ccccc2n1)NCc1cccc(Br)c1O ZINC000765751281 737153724 /nfs/dbraw/zinc/15/37/24/737153724.db2.gz DJTOEEFVUQKVEQ-UHFFFAOYSA-N 0 0 360.211 2.661 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCc1ccn(C)n1 ZINC000766265868 737213507 /nfs/dbraw/zinc/21/35/07/737213507.db2.gz AGOBSFVJUIVVBB-UHFFFAOYSA-N 0 0 367.247 2.620 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+][C@@H](CO)Cc2ccc(F)cc2)c1[O-] ZINC000766489952 737234855 /nfs/dbraw/zinc/23/48/55/737234855.db2.gz RWNSPAVUECBMHU-CQSZACIVSA-N 0 0 354.765 2.786 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1ccccc1[N+](=O)[O-] ZINC000804739600 740901896 /nfs/dbraw/zinc/90/18/96/740901896.db2.gz LBFUWUZQXFNPOV-UHFFFAOYSA-N 0 0 351.156 2.993 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCc2ncc[nH]2)cc1 ZINC000912110598 737266318 /nfs/dbraw/zinc/26/63/18/737266318.db2.gz PVDFCZIMYPCURL-UHFFFAOYSA-N 0 0 354.376 2.999 20 10 FFCDRN Cc1ccc(-c2nc(SCC(=O)NCc3ccccc3O)n[nH]2)cc1 ZINC000767925270 737383373 /nfs/dbraw/zinc/38/33/73/737383373.db2.gz BGRJEKBWNRCZBM-UHFFFAOYSA-N 0 0 354.435 2.894 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H]1CCCC2(C1)OCCO2 ZINC000768393664 737419403 /nfs/dbraw/zinc/41/94/03/737419403.db2.gz IPBRTEAWRIAWRX-GFCCVEGCSA-N 0 0 357.501 2.610 20 10 FFCDRN Fc1cc(CNc2ccncc2Br)ccc1N1CCOCC1 ZINC000768493979 737426713 /nfs/dbraw/zinc/42/67/13/737426713.db2.gz QGVFPPABHXCMIA-UHFFFAOYSA-N 0 0 366.234 2.854 20 10 FFCDRN COC[C@H](CCO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000768868535 737469803 /nfs/dbraw/zinc/46/98/03/737469803.db2.gz ONBWFZNPGSQPHG-HNNXBMFYSA-N 0 0 350.846 2.875 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)CCc2cccc(F)c2)c1 ZINC000914153679 737516494 /nfs/dbraw/zinc/51/64/94/737516494.db2.gz HWLBIQIAVBPCKK-GFCCVEGCSA-N 0 0 353.415 2.763 20 10 FFCDRN O=Cc1ccc(OCC(=O)NCc2ccccc2O)c(Br)c1 ZINC000769361890 737521546 /nfs/dbraw/zinc/52/15/46/737521546.db2.gz CEINPGDGPJPBJG-UHFFFAOYSA-N 0 0 364.195 2.662 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2csc(=O)[nH]2)cc1 ZINC000769692935 737554349 /nfs/dbraw/zinc/55/43/49/737554349.db2.gz VPFWIBCKQXBKFI-HNNXBMFYSA-N 0 0 361.467 2.736 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cncc3ccccc32)c1 ZINC000770127663 737599099 /nfs/dbraw/zinc/59/90/99/737599099.db2.gz BPGUQNYGTNNOQV-UHFFFAOYSA-N 0 0 357.391 2.564 20 10 FFCDRN CC(C)OCc1cc(NS(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1O ZINC000811703703 741549620 /nfs/dbraw/zinc/54/96/20/741549620.db2.gz AMOCFFSECGLTPG-ZIAGYGMSSA-N 0 0 356.488 2.952 20 10 FFCDRN CC(C)c1nnc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)s1 ZINC000770443293 737628033 /nfs/dbraw/zinc/62/80/33/737628033.db2.gz FDACHHUOKJYDRH-AWEZNQCLSA-N 0 0 359.499 2.975 20 10 FFCDRN Cc1cc(C(=O)OCc2nsc(N(C)C)n2)c(C)n1-c1ccccn1 ZINC000771333238 737715396 /nfs/dbraw/zinc/71/53/96/737715396.db2.gz GQDMQFDDDXYWIK-UHFFFAOYSA-N 0 0 357.439 2.764 20 10 FFCDRN C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000917371691 737754906 /nfs/dbraw/zinc/75/49/06/737754906.db2.gz SAJNQODXSZCSIB-LLVKDONJSA-N 0 0 362.407 2.846 20 10 FFCDRN C[C@H](Nc1cnn(C)c(=O)c1Br)c1ccc(N(C)C)cc1 ZINC000772299288 737800502 /nfs/dbraw/zinc/80/05/02/737800502.db2.gz FKWWJOKPNZDEMQ-JTQLQIEISA-N 0 0 351.248 2.782 20 10 FFCDRN COc1cc(SC)ccc1NC(=O)C(=O)N(C)Cc1ccccc1O ZINC000772951801 737858814 /nfs/dbraw/zinc/85/88/14/737858814.db2.gz BYVMCYWOKPRYIF-UHFFFAOYSA-N 0 0 360.435 2.720 20 10 FFCDRN CC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)cc1 ZINC000773083261 737869608 /nfs/dbraw/zinc/86/96/08/737869608.db2.gz DCGYVGODKGXBKO-CYBMUJFWSA-N 0 0 361.467 2.751 20 10 FFCDRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1OC ZINC000773087182 737869983 /nfs/dbraw/zinc/86/99/83/737869983.db2.gz GTNMCUQVRIZKOV-ZDUSSCGKSA-N 0 0 364.467 2.809 20 10 FFCDRN COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cc1F ZINC000773087846 737870024 /nfs/dbraw/zinc/87/00/24/737870024.db2.gz LHWDLKIRRPOKKX-LBPRGKRZSA-N 0 0 352.431 2.940 20 10 FFCDRN O=C(CSc1nccs1)N([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000919675357 737871550 /nfs/dbraw/zinc/87/15/50/737871550.db2.gz ARWFRBWQIUBJRZ-CYBMUJFWSA-N 0 0 374.553 2.584 20 10 FFCDRN C[C@H](NC(=O)NCCNC(=O)c1cccs1)c1ccc(N(C)C)cc1 ZINC000773229104 737883080 /nfs/dbraw/zinc/88/30/80/737883080.db2.gz 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COc1ccc(N2CC[C@@H](CNC(=O)NCCCCSC)C2)cc1 ZINC000823088560 742829894 /nfs/dbraw/zinc/82/98/94/742829894.db2.gz LJUMKRWDKXIPJV-HNNXBMFYSA-N 0 0 351.516 2.964 20 10 FFCDRN O=C(CCc1cccnc1Cl)NCc1ccc(N2CCOCC2)cc1 ZINC000823292092 742875312 /nfs/dbraw/zinc/87/53/12/742875312.db2.gz NBAYHIAKPDYCBZ-UHFFFAOYSA-N 0 0 359.857 2.821 20 10 FFCDRN CC[C@H](CSC)N(C)C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000823543306 742933990 /nfs/dbraw/zinc/93/39/90/742933990.db2.gz SFFOLSZEVHBXGB-MRXNPFEDSA-N 0 0 365.543 2.931 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(C(F)F)n(C)n2)cc1 ZINC000823947757 743002194 /nfs/dbraw/zinc/00/21/94/743002194.db2.gz BRDVBBKOFTXONA-UHFFFAOYSA-N 0 0 352.385 2.575 20 10 FFCDRN CCCn1nccc1CN(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC000824768069 743145038 /nfs/dbraw/zinc/14/50/38/743145038.db2.gz FAMDBONZUHRPFV-UHFFFAOYSA-N 0 0 351.834 2.827 20 10 FFCDRN CCS[C@H](C)c1noc(CN(C)C(=O)c2c(F)ccc(O)c2O)n1 ZINC000827041032 743493552 /nfs/dbraw/zinc/49/35/52/743493552.db2.gz CKLINJNCKVVNMZ-MRVPVSSYSA-N 0 0 355.391 2.706 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)C[C@@H](OC)C2CC2)cc1F ZINC000827132447 743514903 /nfs/dbraw/zinc/51/49/03/743514903.db2.gz HMSSHNZBSUDEOO-QGZVFWFLSA-N 0 0 358.479 2.516 20 10 FFCDRN COc1cc(Br)cc(CN2CCc3nccnc3C2)c1O ZINC000827692851 744961075 /nfs/dbraw/zinc/96/10/75/744961075.db2.gz QOBOQLMFOUVVMS-UHFFFAOYSA-N 0 0 350.216 2.512 20 10 FFCDRN CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000827750380 744970846 /nfs/dbraw/zinc/97/08/46/744970846.db2.gz FURCGWYNWFMCEI-SUMWQHHRSA-N 0 0 352.387 2.521 20 10 FFCDRN CNC(=O)CN(C)Cc1ccc(N2CCCCC2)c(Br)c1 ZINC000827862599 744993181 /nfs/dbraw/zinc/99/31/81/744993181.db2.gz KZGGYDYWRDIISI-UHFFFAOYSA-N 0 0 354.292 2.617 20 10 FFCDRN C[C@H](NC(=O)C[C@H](C)S(=O)(=O)c1ccc(F)cc1)c1ccccc1O ZINC000827978203 745009947 /nfs/dbraw/zinc/00/99/47/745009947.db2.gz KOGRORDMQYSLGU-STQMWFEESA-N 0 0 365.426 2.961 20 10 FFCDRN CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000827986744 745010669 /nfs/dbraw/zinc/01/06/69/745010669.db2.gz QHXXKWBKSKASEH-ZDUSSCGKSA-N 0 0 362.451 2.570 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2cc(OC)ccc2O)[C@@H]1SC ZINC000828127729 745033899 /nfs/dbraw/zinc/03/38/99/745033899.db2.gz VOHYEQFQPBLASV-NMFKLSHFSA-N 0 0 354.472 2.670 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(C)nc1C ZINC000828519163 745080287 /nfs/dbraw/zinc/08/02/87/745080287.db2.gz HOKZARRDNNEOTL-UHFFFAOYSA-N 0 0 362.813 2.873 20 10 FFCDRN CCOCc1nc(C)c(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)s1 ZINC000828884862 745133360 /nfs/dbraw/zinc/13/33/60/745133360.db2.gz MWMXAZHAEWOPBT-SNVBAGLBSA-N 0 0 350.440 2.760 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@H](C)[C@H]3CCCO3)CC2)cc1F ZINC000829869473 745272280 /nfs/dbraw/zinc/27/22/80/745272280.db2.gz RCHLFPRGAWNZJH-WMLDXEAASA-N 0 0 350.434 2.688 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2c[nH]nc2Cl)cc1 ZINC000829871878 745272952 /nfs/dbraw/zinc/27/29/52/745272952.db2.gz CWNBOJHUWCWJFZ-UHFFFAOYSA-N 0 0 356.879 2.730 20 10 FFCDRN CCn1c2ccc(F)cc2nc1/C(Cl)=C\c1cn(CC(=O)OC)nn1 ZINC000834420827 745835099 /nfs/dbraw/zinc/83/50/99/745835099.db2.gz LIVMVWMYHUXXOK-KPKJPENVSA-N 0 0 363.780 2.697 20 10 FFCDRN O=S(=O)(NCC[NH2+][C@H]1CCc2cccc(O)c21)c1cccc(Cl)c1 ZINC000834541181 745855957 /nfs/dbraw/zinc/85/59/57/745855957.db2.gz QGWBHTLLNJWQIZ-HNNXBMFYSA-N 0 0 366.870 2.601 20 10 FFCDRN C[C@@H](NCc1nn(C)cc1Cl)c1ccc(N2CCOCC2)c(F)c1 ZINC000834882641 745918457 /nfs/dbraw/zinc/91/84/57/745918457.db2.gz MWMXZGHPENGIHY-GFCCVEGCSA-N 0 0 352.841 2.900 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(S(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000834882707 745918832 /nfs/dbraw/zinc/91/88/32/745918832.db2.gz CYKBARUSNRNYAM-NSHDSACASA-N 0 0 350.396 2.555 20 10 FFCDRN COC(=O)c1ccc(N2CCN(Cc3cc(F)ccc3O)CC2)s1 ZINC000835056482 745941070 /nfs/dbraw/zinc/94/10/70/745941070.db2.gz KBGBZGXSVQBEOR-UHFFFAOYSA-N 0 0 350.415 2.702 20 10 FFCDRN Cc1cc(CNC(=O)NCc2ccc(N3CCSCC3)cc2)ccn1 ZINC000836242343 746173268 /nfs/dbraw/zinc/17/32/68/746173268.db2.gz MHKQMIDBNTZEIP-UHFFFAOYSA-N 0 0 356.495 2.943 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NC1CCCCC1 ZINC000837313593 746420635 /nfs/dbraw/zinc/42/06/35/746420635.db2.gz NJNRCZHFWOMUJH-UHFFFAOYSA-N 0 0 353.413 2.933 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)NCC1CCCC1 ZINC000837647340 746492383 /nfs/dbraw/zinc/49/23/83/746492383.db2.gz ZMGXZIBVTODEAP-UHFFFAOYSA-N 0 0 353.413 2.791 20 10 FFCDRN O=C(CCc1cscn1)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000837708431 746503269 /nfs/dbraw/zinc/50/32/69/746503269.db2.gz UKLIQBNTRFNZHK-UHFFFAOYSA-N 0 0 367.421 2.507 20 10 FFCDRN O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1nc(Cl)cs1 ZINC000837710386 746503905 /nfs/dbraw/zinc/50/39/05/746503905.db2.gz NJKHYVMFOZUMOY-UHFFFAOYSA-N 0 0 373.812 2.841 20 10 FFCDRN CC1(C)C[C@H]1CNC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000838469529 746645330 /nfs/dbraw/zinc/64/53/30/746645330.db2.gz CPYCZAAZXBHJKG-ZDUSSCGKSA-N 0 0 353.413 2.647 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000838477116 746646932 /nfs/dbraw/zinc/64/69/32/746646932.db2.gz DQPBPOQFTCMKMO-UKRRQHHQSA-N 0 0 359.392 2.516 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)NOCC3CC3)cc2F)C[C@H](C)O1 ZINC000838604534 746675284 /nfs/dbraw/zinc/67/52/84/746675284.db2.gz MRFXOKDTBBGSPZ-STQMWFEESA-N 0 0 351.422 2.580 20 10 FFCDRN C[C@@H]1CCCN(C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000838744630 746705131 /nfs/dbraw/zinc/70/51/31/746705131.db2.gz OCVSEMUKSUKEJZ-CYBMUJFWSA-N 0 0 353.413 2.743 20 10 FFCDRN Cc1ccccc1-n1cc(C(=O)NCCCSc2nccs2)nn1 ZINC000839680151 746892391 /nfs/dbraw/zinc/89/23/91/746892391.db2.gz FMQNSZHDXKIQBJ-UHFFFAOYSA-N 0 0 359.480 2.944 20 10 FFCDRN Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3cc(Cl)ccc3O)C2)nn1 ZINC000839710188 746900134 /nfs/dbraw/zinc/90/01/34/746900134.db2.gz WLSOCKXGJIXJIN-OAHLLOKOSA-N 0 0 360.845 2.538 20 10 FFCDRN CCS(=O)(=O)CCCNC(=O)c1sccc1-n1c(C)ccc1C ZINC000839904371 746958484 /nfs/dbraw/zinc/95/84/84/746958484.db2.gz QSSXYHZABXPXDN-UHFFFAOYSA-N 0 0 354.497 2.710 20 10 FFCDRN Cc1csc(=O)n1CCC(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000839916611 746960849 /nfs/dbraw/zinc/96/08/49/746960849.db2.gz VWOQLRYAWGTSCN-AWEZNQCLSA-N 0 0 361.511 2.730 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N1CCO[C@H](C(F)F)C1 ZINC000840481916 747104200 /nfs/dbraw/zinc/10/42/00/747104200.db2.gz QAKGLQIZXXAZDE-BBRMVZONSA-N 0 0 355.429 2.668 20 10 FFCDRN CC(=O)C(=O)COC(=O)[C@@H](CC1CCCCC1)NC(=O)OC(C)(C)C ZINC000840646784 747146838 /nfs/dbraw/zinc/14/68/38/747146838.db2.gz UMGNXISGSFYUMY-CQSZACIVSA-N 0 0 355.431 2.551 20 10 FFCDRN CCOCc1cc(CNCc2ccccc2S(C)(=O)=O)ccc1OC ZINC000840961135 747244083 /nfs/dbraw/zinc/24/40/83/747244083.db2.gz BEEANEJFTNCDDX-UHFFFAOYSA-N 0 0 363.479 2.925 20 10 FFCDRN Cc1nn(C)c(S(=O)(=O)NCc2ccc(N(C)C)cc2C)c1C(F)F ZINC000841490032 747367009 /nfs/dbraw/zinc/36/70/09/747367009.db2.gz IGWGAHYDCLMYFO-UHFFFAOYSA-N 0 0 372.441 2.519 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NS(=O)(=O)N1CCC[C@H](C)C1 ZINC000841568603 747405239 /nfs/dbraw/zinc/40/52/39/747405239.db2.gz COHWJYXEESOACS-HOCLYGCPSA-N 0 0 353.532 2.558 20 10 FFCDRN C[C@H](CNC(=O)NCCc1ccc(N)cc1)N1CCc2sccc2C1 ZINC000841710181 747438088 /nfs/dbraw/zinc/43/80/88/747438088.db2.gz UIVIAEUXXJWICB-CQSZACIVSA-N 0 0 358.511 2.619 20 10 FFCDRN Cc1cccc(NC(=O)NCc2ccc(N(C)C)cc2)c1S(C)(=O)=O ZINC000841752810 747449513 /nfs/dbraw/zinc/44/95/13/747449513.db2.gz CGNHXUSTPWGQEL-UHFFFAOYSA-N 0 0 361.467 2.786 20 10 FFCDRN CC[C@H](C)[C@H](CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O)OC ZINC000842249122 747556253 /nfs/dbraw/zinc/55/62/53/747556253.db2.gz DPHLHZHYKLGREO-NHYWBVRUSA-N 0 0 354.834 2.871 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCC[C@@H]1CCOC1 ZINC000842258764 747558737 /nfs/dbraw/zinc/55/87/37/747558737.db2.gz SAXGKIGBBJZIMH-GFCCVEGCSA-N 0 0 352.818 2.627 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000842721123 747668431 /nfs/dbraw/zinc/66/84/31/747668431.db2.gz PZTRVYMWBDQGNU-CYBMUJFWSA-N 0 0 355.276 2.952 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)CN(C)[C@H]3CCSC3)C2)cc1 ZINC000842874230 747711582 /nfs/dbraw/zinc/71/15/82/747711582.db2.gz ATPNRHKRUBNRLT-WBVHZDCISA-N 0 0 364.511 2.502 20 10 FFCDRN COCc1ncc(C(=O)OC[C@@H]2CCN(c3ccc(OC)cc3)C2)s1 ZINC000842876980 747712577 /nfs/dbraw/zinc/71/25/77/747712577.db2.gz YXSHZOMWWVBOCO-CYBMUJFWSA-N 0 0 362.451 2.981 20 10 FFCDRN CC1(C(N)=O)CN(Cc2ccc(N3CCCCC3)c(Br)c2)C1 ZINC000843415778 747831650 /nfs/dbraw/zinc/83/16/50/747831650.db2.gz KCNSAQQDLMHNLD-UHFFFAOYSA-N 0 0 366.303 2.747 20 10 FFCDRN Cc1cc(C(=O)N(C)C[C@@H](C)O)c(C)n1-c1ccc(Br)cn1 ZINC000843812610 747901171 /nfs/dbraw/zinc/90/11/71/747901171.db2.gz BLPODASTOVYZCA-LLVKDONJSA-N 0 0 366.259 2.704 20 10 FFCDRN CC(C)Cn1nccc1C(=O)NCc1cc(Br)ccc1O ZINC000843887422 747920369 /nfs/dbraw/zinc/92/03/69/747920369.db2.gz UWCODLINSFHMMX-UHFFFAOYSA-N 0 0 352.232 2.937 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C\c2cc3cnccc3o2)SC1=S ZINC000844269373 747994334 /nfs/dbraw/zinc/99/43/34/747994334.db2.gz VRKOSYDJWSAODE-MDWZMJQESA-N 0 0 362.432 2.982 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Cn2nc(C)c(Cl)c2C)cc1 ZINC000844853229 748117174 /nfs/dbraw/zinc/11/71/74/748117174.db2.gz CWEZKNHWKXZKGY-UHFFFAOYSA-N 0 0 364.877 2.757 20 10 FFCDRN CCOC(=O)C1CCC(NC(=O)NCc2cc(Cl)ccc2O)CC1 ZINC000844927671 748138492 /nfs/dbraw/zinc/13/84/92/748138492.db2.gz REKVARSJGGWLBA-UHFFFAOYSA-N 0 0 354.834 2.967 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cccc3c2OCCC3)c1 ZINC000845871077 748340178 /nfs/dbraw/zinc/34/01/78/748340178.db2.gz RCFCOVFKSSUGLL-GFCCVEGCSA-N 0 0 363.435 2.765 20 10 FFCDRN COCC1(CS(=O)(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CCC1 ZINC000845944761 748358591 /nfs/dbraw/zinc/35/85/91/748358591.db2.gz GLCPFZFLZCPASF-INIZCTEOSA-N 0 0 368.543 2.728 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)c2cc(C)oc2C)cc1 ZINC000845986842 748375466 /nfs/dbraw/zinc/37/54/66/748375466.db2.gz ARWTYDNBRPCUOF-UHFFFAOYSA-N 0 0 352.456 2.662 20 10 FFCDRN CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000846117428 748410309 /nfs/dbraw/zinc/41/03/09/748410309.db2.gz 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Cc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c(O)c1O ZINC000750623607 1022258082 /nfs/dbraw/zinc/25/80/82/1022258082.db2.gz YGGKAUBWOIITIE-UHFFFAOYSA-N 0 0 367.304 2.803 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@]1(C)CC1(F)F ZINC001118515033 1022270113 /nfs/dbraw/zinc/27/01/13/1022270113.db2.gz PMCFMRCRNRRUMG-KRWDZBQOSA-N 0 0 354.397 2.682 20 10 FFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNc3ncc4ccccc4n3)cc2)C1 ZINC001118804757 1022415052 /nfs/dbraw/zinc/41/50/52/1022415052.db2.gz GRNGISJTEOPNGQ-KRWDZBQOSA-N 0 0 361.449 2.944 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCOC[C@H]2C)cc1 ZINC001118858214 1022444359 /nfs/dbraw/zinc/44/43/59/1022444359.db2.gz XQSWCQVKNCXGRQ-JLTOFOAXSA-N 0 0 354.450 2.990 20 10 FFCDRN CNS(=O)(=O)c1cc(NCc2cc(F)c(N(C)C)cc2F)ccc1C ZINC001118859296 1022446154 /nfs/dbraw/zinc/44/61/54/1022446154.db2.gz HIGWHHPZTKHOKZ-UHFFFAOYSA-N 0 0 369.437 2.859 20 10 FFCDRN COC(=O)COCCNC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001118891192 1022458937 /nfs/dbraw/zinc/45/89/37/1022458937.db2.gz XFLKPUJXWBVGSW-UHFFFAOYSA-N 0 0 364.829 2.667 20 10 FFCDRN COc1cc(OC)c(OC)c2[nH]c(C(=O)NCc3ccc(O)c(O)c3)cc21 ZINC000778919703 1022525862 /nfs/dbraw/zinc/52/58/62/1022525862.db2.gz KEWSKBNLQJKFQR-UHFFFAOYSA-N 0 0 372.377 2.535 20 10 FFCDRN COc1ccccc1[C@H](CO)NC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001137782019 1033065823 /nfs/dbraw/zinc/06/58/23/1033065823.db2.gz ZKYPCKUKJSWFJX-LBPRGKRZSA-N 0 0 359.403 2.785 20 10 FFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@]1(O)CCc2ccccc21 ZINC000158930183 1022594853 /nfs/dbraw/zinc/59/48/53/1022594853.db2.gz AOPMCQFHCSEZLM-OAQYLSRUSA-N 0 0 361.401 2.814 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCc1ccc(C(F)(F)F)s1 ZINC001119282930 1022655138 /nfs/dbraw/zinc/65/51/38/1022655138.db2.gz NFDVPWDTASDGAA-UHFFFAOYSA-N 0 0 372.368 2.747 20 10 FFCDRN Cc1cncc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000751010066 1022745362 /nfs/dbraw/zinc/74/53/62/1022745362.db2.gz CNMOIXUSUULVAY-UHFFFAOYSA-N 0 0 352.438 2.586 20 10 FFCDRN CCc1nnc(CNCc2c3cc(F)ccc3n(C)c2C(=O)OC)s1 ZINC001119449338 1022777271 /nfs/dbraw/zinc/77/72/71/1022777271.db2.gz UBKWKCQIWJELJS-UHFFFAOYSA-N 0 0 362.430 2.808 20 10 FFCDRN CCn1cc(-c2n[nH]cc2C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000779102357 1022806963 /nfs/dbraw/zinc/80/69/63/1022806963.db2.gz WUSMVCIARMOQRW-ZDUSSCGKSA-N 0 0 352.442 2.850 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCCc1nnc(-c2ccccc2)o1 ZINC000159836208 1022811642 /nfs/dbraw/zinc/81/16/42/1022811642.db2.gz KKTOWQLQJURGJM-UHFFFAOYSA-N 0 0 352.394 2.826 20 10 FFCDRN CN1CCN(c2ccc(CNc3ccc4c(c3)NC(=O)C4)cc2F)CC1 ZINC001119504351 1022819528 /nfs/dbraw/zinc/81/95/28/1022819528.db2.gz DZRUFUVCBOTNEC-UHFFFAOYSA-N 0 0 354.429 2.684 20 10 FFCDRN Cc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c(O)c1O ZINC000751533268 1022858030 /nfs/dbraw/zinc/85/80/30/1022858030.db2.gz NBFXJRNQVHDDFL-UHFFFAOYSA-N 0 0 367.405 2.939 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@]12CCO[C@H]1CCCC2 ZINC001119762678 1022984620 /nfs/dbraw/zinc/98/46/20/1022984620.db2.gz JKLQGXFHQUYDIK-AZUAARDMSA-N 0 0 362.445 2.628 20 10 FFCDRN COC[C@@H]1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C[C@H](C)O1 ZINC000188179531 1023031540 /nfs/dbraw/zinc/03/15/40/1023031540.db2.gz VYTITDUGIMYUOB-KXBFYZLASA-N 0 0 372.465 2.979 20 10 FFCDRN COC[C@H]1CN(C(=O)c2cc(C)n(-c3ccc(OC)cc3)c2C)C[C@H](C)O1 ZINC000188179579 1023031763 /nfs/dbraw/zinc/03/17/63/1023031763.db2.gz VYTITDUGIMYUOB-HNAYVOBHSA-N 0 0 372.465 2.979 20 10 FFCDRN C[C@@H](NC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N(C)C ZINC000752137219 1023078491 /nfs/dbraw/zinc/07/84/91/1023078491.db2.gz KVBGGOYJWPTLAK-CYBMUJFWSA-N 0 0 367.409 2.633 20 10 FFCDRN COc1ccc(O)c(CNc2ccccc2CN2CCN(C(C)=O)CC2)c1 ZINC000188696012 1023123766 /nfs/dbraw/zinc/12/37/66/1023123766.db2.gz ZQAHJYZVPFDPCU-UHFFFAOYSA-N 0 0 369.465 2.677 20 10 FFCDRN Cc1cc(C(=O)N[C@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccccc1C ZINC000752469688 1023147039 /nfs/dbraw/zinc/14/70/39/1023147039.db2.gz HAUJPQIJQALEAO-INIZCTEOSA-N 0 0 351.450 2.896 20 10 FFCDRN Cc1cc(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c(C)n1-c1ccccc1C ZINC000752469702 1023147112 /nfs/dbraw/zinc/14/71/12/1023147112.db2.gz HAUJPQIJQALEAO-MRXNPFEDSA-N 0 0 351.450 2.896 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NC[C@H](O)CCc1ccccc1 ZINC000753186822 1023284109 /nfs/dbraw/zinc/28/41/09/1023284109.db2.gz AMPNGIIWCISJGT-HXUWFJFHSA-N 0 0 355.482 2.854 20 10 FFCDRN COC1(C)CN(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1 ZINC000753197583 1023285615 /nfs/dbraw/zinc/28/56/15/1023285615.db2.gz FRIVIHHVZKPBNW-ZDUSSCGKSA-N 0 0 369.412 2.687 20 10 FFCDRN CC(C)(C)OC(=O)N1CC=C(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000189479135 1023286084 /nfs/dbraw/zinc/28/60/84/1023286084.db2.gz BIZNOKGFQQWDIE-UHFFFAOYSA-N 0 0 363.414 2.957 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCC3(C)CCOCC3)CC2)cc1 ZINC000753343446 1023310002 /nfs/dbraw/zinc/31/00/02/1023310002.db2.gz MKLAXRHKGXDUQX-UHFFFAOYSA-N 0 0 361.486 2.780 20 10 FFCDRN Cc1noc(C2CCC(NC(=O)NCc3ccc(N(C)C)cc3)CC2)n1 ZINC000753351478 1023311686 /nfs/dbraw/zinc/31/16/86/1023311686.db2.gz VZGYEZFTKQXQSO-UHFFFAOYSA-N 0 0 357.458 2.970 20 10 FFCDRN COc1ccc([C@@H](O)C2CCN(C(=O)NCc3ccc(N)cc3)CC2)cc1 ZINC001120592156 1023375713 /nfs/dbraw/zinc/37/57/13/1023375713.db2.gz QDFJJWOCNVSWEI-HXUWFJFHSA-N 0 0 369.465 2.933 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)N[C@H](C)CO[C@H]1CCOC1 ZINC000753947261 1023404892 /nfs/dbraw/zinc/40/48/92/1023404892.db2.gz AOLHEXLBITWAKN-APWZRJJASA-N 0 0 363.502 2.867 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@@H]2C[C@H](NC(=O)OC(C)(C)C)[C@H]3C[C@H]32)c1 ZINC001120758376 1023454079 /nfs/dbraw/zinc/45/40/79/1023454079.db2.gz HHMZWRJMFNMCAL-QXSJWSMHSA-N 0 0 360.454 2.866 20 10 FFCDRN Cc1cc(C(=O)CN2C[C@@H](C(N)=O)CC[C@@H]2C)c(C)n1-c1ccccc1 ZINC000754667711 1023501572 /nfs/dbraw/zinc/50/15/72/1023501572.db2.gz HRMLZZVJFQBXIJ-YOEHRIQHSA-N 0 0 353.466 2.863 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)c1nccc(C(=O)OC)n1 ZINC001120907837 1023521186 /nfs/dbraw/zinc/52/11/86/1023521186.db2.gz PTNJYDWZUZPJKK-UHFFFAOYSA-N 0 0 366.215 2.758 20 10 FFCDRN CC(=O)N1CCN(C(=O)Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)CC1 ZINC000755236515 1023583152 /nfs/dbraw/zinc/58/31/52/1023583152.db2.gz NWDPHOWRBWMTLB-UHFFFAOYSA-N 0 0 373.884 2.981 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)COCc3cc(C)on3)C2)cc1 ZINC001123073577 1023622204 /nfs/dbraw/zinc/62/22/04/1023622204.db2.gz BBLBDCTVMMPYNP-HNNXBMFYSA-N 0 0 360.410 2.578 20 10 FFCDRN Cc1cc(CC(=O)N2CCC3(CNC(=O)C3)CC2)c(C)n1-c1ccccc1 ZINC000829423262 1033149307 /nfs/dbraw/zinc/14/93/07/1033149307.db2.gz RMOVKHOTTTUNFE-UHFFFAOYSA-N 0 0 365.477 2.765 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2(O)CCC2)n1C[C@H]1CCCCO1 ZINC001123212868 1023689991 /nfs/dbraw/zinc/68/99/91/1023689991.db2.gz MXQAKZSAJCOVAG-MRXNPFEDSA-N 0 0 372.469 2.561 20 10 FFCDRN COC(=O)[C@@](C)(CNC(=O)NCc1ccc(N(C)C)cc1)c1ccccc1 ZINC000190880076 1023711895 /nfs/dbraw/zinc/71/18/95/1023711895.db2.gz WGSPFBQYBPGTFH-NRFANRHFSA-N 0 0 369.465 2.683 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Nc2cccc(CC(=O)OC)n2)cc1 ZINC000191069223 1023745134 /nfs/dbraw/zinc/74/51/34/1023745134.db2.gz GFKJRUINAKMCII-UHFFFAOYSA-N 0 0 370.453 2.965 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(C(=O)OC(C)C)CC2)c1 ZINC000756706917 1023748083 /nfs/dbraw/zinc/74/80/83/1023748083.db2.gz IVWPBMUSBVQEOG-ZDUSSCGKSA-N 0 0 364.442 2.839 20 10 FFCDRN COC(=O)c1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(N(C)C)c1 ZINC000191142691 1023768996 /nfs/dbraw/zinc/76/89/96/1023768996.db2.gz PKYAIDIZYQVZPF-UHFFFAOYSA-N 0 0 370.453 2.927 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cncc(N2CCOCC2)c1 ZINC000757058524 1023787512 /nfs/dbraw/zinc/78/75/12/1023787512.db2.gz GICQXUVTVKRCMJ-UHFFFAOYSA-N 0 0 355.438 2.676 20 10 FFCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NC(=O)C1CCCC1 ZINC000950504349 1023845652 /nfs/dbraw/zinc/84/56/52/1023845652.db2.gz FHOUKAMCQPHJFI-MLGOLLRUSA-N 0 0 371.441 2.616 20 10 FFCDRN C[C@@H]1C[N@H+](Cc2c([O-])cccc2F)C[C@]12CCN(c1cccnc1)C2=O ZINC001137834529 1033168870 /nfs/dbraw/zinc/16/88/70/1033168870.db2.gz JYACPXKRNAIFAL-JLTOFOAXSA-N 0 0 355.413 2.801 20 10 FFCDRN CCOC(=O)c1sc(C(=O)OCC)c(O[C@H]2CC[NH2+]C(C)(C)C2)c1[O-] ZINC001218471724 1033171145 /nfs/dbraw/zinc/17/11/45/1033171145.db2.gz LFJBDKUMBDVUIK-JTQLQIEISA-N 0 0 371.455 2.717 20 10 FFCDRN CCOC(=O)[C@H](CNC(=O)/C=C\c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000779481244 1023934347 /nfs/dbraw/zinc/93/43/47/1023934347.db2.gz HAEPGHGPBTZSBI-CCCPALQASA-N 0 0 369.417 2.649 20 10 FFCDRN C[C@H](NC(=O)c1ccc2cc[nH]c2n1)c1ccc(N2CCOCC2)cc1 ZINC000779503468 1023944614 /nfs/dbraw/zinc/94/46/14/1023944614.db2.gz PTDNKFNGZAJPMB-AWEZNQCLSA-N 0 0 350.422 2.891 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N(C[C@H](O)c1ccc(F)cc1)C1CC1 ZINC000779531637 1023968616 /nfs/dbraw/zinc/96/86/16/1023968616.db2.gz CRNWYXUXPLRBFP-QTHLPEPBSA-N 0 0 357.381 2.975 20 10 FFCDRN Oc1cccc(F)c1CN1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001137837666 1033179895 /nfs/dbraw/zinc/17/98/95/1033179895.db2.gz QHNHDASENWPAPK-UHFFFAOYSA-N 0 0 356.323 2.662 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)C1CC1 ZINC000779539452 1024023120 /nfs/dbraw/zinc/02/31/20/1024023120.db2.gz DTTVEBDWNNVFNY-VZUFXWRPSA-N 0 0 362.426 2.531 20 10 FFCDRN C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CN(C)Cc1ccc(N(C)C)cc1)C2=O ZINC000758294351 1024023300 /nfs/dbraw/zinc/02/33/00/1024023300.db2.gz FGALESYLHHMJNZ-HZPDHXFCSA-N 0 0 372.513 2.889 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCc2c(ncn2-c2ccccc2)C1 ZINC000779544121 1024026067 /nfs/dbraw/zinc/02/60/67/1024026067.db2.gz CHJDJAMSXAUBKF-VQHVLOKHSA-N 0 0 361.401 2.882 20 10 FFCDRN COc1ccc([C@H](NC(=O)COC(=O)c2cccc(O)c2O)C2CC2)cc1 ZINC000758574071 1024182139 /nfs/dbraw/zinc/18/21/39/1024182139.db2.gz ZRIYIYKHSSJWFA-GOSISDBHSA-N 0 0 371.389 2.531 20 10 FFCDRN COc1ccccc1[C@@H](C)NC(=O)[C@H](C)OC(=O)c1cccc(O)c1O ZINC000758572773 1024182998 /nfs/dbraw/zinc/18/29/98/1024182998.db2.gz NJOZQHKBCZACLJ-NEPJUHHUSA-N 0 0 359.378 2.529 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Nn3cnc4ccccc43)CC2)cc1 ZINC000079429516 1024264862 /nfs/dbraw/zinc/26/48/62/1024264862.db2.gz YGHYBZWXIODLPC-UHFFFAOYSA-N 0 0 365.437 2.921 20 10 FFCDRN Cc1nnc(COCC(=O)N(C)Cc2ccc(N3CCCC3)cc2)s1 ZINC001124549796 1024343575 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CCc1ncc(Cl)c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)n1 ZINC001356445649 1055508382 /nfs/dbraw/zinc/50/83/82/1055508382.db2.gz KQKOYWCXVHTBEK-UHFFFAOYSA-N 0 0 360.845 2.663 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)c1cccc2[nH]c(=O)[nH]c21 ZINC000847355836 1055581472 /nfs/dbraw/zinc/58/14/72/1055581472.db2.gz HSBRKCAACGWWCV-UHFFFAOYSA-N 0 0 368.462 2.752 20 10 FFCDRN Cc1cccc([C@H](O)c2nnc(N(C)Cc3ccccc3O)n2C)c1C ZINC001338711173 1055750561 /nfs/dbraw/zinc/75/05/61/1055750561.db2.gz ASMASPJNFGTRAC-SFHVURJKSA-N 0 0 352.438 2.856 20 10 FFCDRN CCc1ccccc1NC(=O)CN(C)c1nnc(C2SC=CC2=O)n1C ZINC001338750681 1055783149 /nfs/dbraw/zinc/78/31/49/1055783149.db2.gz NOKYEYUGKQQHQW-UHFFFAOYSA-N 0 0 371.466 2.887 20 10 FFCDRN CCN(CC)c1ccc(CN(C)c2nnc(-c3nc[nH]n3)n2CC)cc1 ZINC001352776443 1055783949 /nfs/dbraw/zinc/78/39/49/1055783949.db2.gz YCHUMPJIIUZMJA-UHFFFAOYSA-N 0 0 354.462 2.566 20 10 FFCDRN CSC1(CNC(=O)C(=O)N(C)Cc2ccccc2O)CCCCC1 ZINC001352871019 1055884872 /nfs/dbraw/zinc/88/48/72/1055884872.db2.gz SVWWONUYDMBUEL-UHFFFAOYSA-N 0 0 350.484 2.533 20 10 FFCDRN Cn1cc(Cl)c(C(=O)Nc2ccc(NC(=O)C3=S=CC=C3)cc2)n1 ZINC001357802824 1056019182 /nfs/dbraw/zinc/01/91/82/1056019182.db2.gz BUSLWBICJSKSMC-UHFFFAOYSA-N 0 0 360.826 2.542 20 10 FFCDRN O=C(NCCOc1ccc2c(c1)OCO2)c1cc2cc(O)c(O)cc2s1 ZINC001544091701 1071594987 /nfs/dbraw/zinc/59/49/87/1071594987.db2.gz GLVSFHLEZZBESX-UHFFFAOYSA-N 0 0 373.386 2.850 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)CN1CSCCSC1 ZINC001544094041 1071595159 /nfs/dbraw/zinc/59/51/59/1071595159.db2.gz LYGMXSIFDNZIFG-UHFFFAOYSA-N 0 0 353.557 2.798 20 10 FFCDRN COc1ccn2c(c1)ncc2C(=O)NCc1ccc2c(c1)CCCN2C ZINC001544165012 1071605638 /nfs/dbraw/zinc/60/56/38/1071605638.db2.gz SZGGQOJHITVTNK-UHFFFAOYSA-N 0 0 350.422 2.655 20 10 FFCDRN C[C@@H](NC(=O)C(=O)N[C@@H]1CCSC(C)(C)C1)c1ccc(N(C)C)cc1 ZINC001351365263 1056224136 /nfs/dbraw/zinc/22/41/36/1056224136.db2.gz YLXXUWJFQDTOHL-UKRRQHHQSA-N 0 0 363.527 2.720 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H](C)c1ccns1 ZINC001351415086 1056253841 /nfs/dbraw/zinc/25/38/41/1056253841.db2.gz CRZIANCZLHNHJR-CYBMUJFWSA-N 0 0 361.467 2.855 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](C)N1CCc2ccccc21 ZINC000847695889 1056386128 /nfs/dbraw/zinc/38/61/28/1056386128.db2.gz IMTMGWIWFFQRFK-CABCVRRESA-N 0 0 354.450 2.986 20 10 FFCDRN CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)NCc1ccc(N)cc1 ZINC001353538817 1056511774 /nfs/dbraw/zinc/51/17/74/1056511774.db2.gz CXJRLIFPLUZUFW-UHFFFAOYSA-N 0 0 354.454 2.702 20 10 FFCDRN CN(C[C@@]1(O)CCc2ccccc21)c1nnc(C2SC=CC2=O)n1C ZINC001339573140 1056598203 /nfs/dbraw/zinc/59/82/03/1056598203.db2.gz NAAFIZHEBSUAJS-SFHVURJKSA-N 0 0 356.451 2.519 20 10 FFCDRN CCOC(=O)[C@H](C)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC001545171725 1071743104 /nfs/dbraw/zinc/74/31/04/1071743104.db2.gz CPICBQGPSATTRH-CYBMUJFWSA-N 0 0 356.422 2.836 20 10 FFCDRN COC(=O)c1ccc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)cn1 ZINC001545170287 1071742695 /nfs/dbraw/zinc/74/26/95/1071742695.db2.gz WBJYHDORTWVCHV-UHFFFAOYSA-N 0 0 364.405 2.601 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)cc1 ZINC001443591728 1058222048 /nfs/dbraw/zinc/22/20/48/1058222048.db2.gz YLHVIIHBUDNTSJ-HUUCEWRRSA-N 0 0 362.455 2.976 20 10 FFCDRN CCc1nnc(N(C)Cc2ccccc2O)n1CCCc1nc(C)no1 ZINC001513795741 1058566077 /nfs/dbraw/zinc/56/60/77/1058566077.db2.gz SRBYEXCWLFDBCO-UHFFFAOYSA-N 0 0 356.430 2.507 20 10 FFCDRN CO[C@@H]1CCN(c2nnc(CC3CC3)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001519482458 1058776831 /nfs/dbraw/zinc/77/68/31/1058776831.db2.gz JLBRFJOWLSEMQE-MRXNPFEDSA-N 0 0 373.476 2.709 20 10 FFCDRN CO[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccccc1O)C(C)C ZINC001503987111 1059128471 /nfs/dbraw/zinc/12/84/71/1059128471.db2.gz OLDATDNRDUNOME-AEFFLSMTSA-N 0 0 374.485 2.795 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ccn(C(C)(C)C)n1 ZINC000848231953 1059428048 /nfs/dbraw/zinc/42/80/48/1059428048.db2.gz RWPDRKMIFASTEC-UHFFFAOYSA-N 0 0 359.426 2.549 20 10 FFCDRN CNC(=O)c1c(C)[nH]nc1NC(=O)c1sccc1-n1c(C)ccc1C ZINC001454337104 1059506474 /nfs/dbraw/zinc/50/64/74/1059506474.db2.gz KGGCOFNEWPMBAB-UHFFFAOYSA-N 0 0 357.439 2.799 20 10 FFCDRN CCCN(C(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1)C(C)C ZINC000848291961 1059611280 /nfs/dbraw/zinc/61/12/80/1059611280.db2.gz KALZDPCVJXMQGS-ZHACJKMWSA-N 0 0 373.497 2.547 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC001546078681 1059985591 /nfs/dbraw/zinc/98/55/91/1059985591.db2.gz WBJNBQYGSSRTIS-CYBMUJFWSA-N 0 0 360.414 2.507 20 10 FFCDRN CC(C)CCn1c(CN2CCCC2=O)nnc1N(C)Cc1ccccc1O ZINC001509317454 1060063206 /nfs/dbraw/zinc/06/32/06/1060063206.db2.gz ZHPKEXSZERQVAI-UHFFFAOYSA-N 0 0 371.485 2.789 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCC[C@@H]1OC ZINC001516460403 1060090139 /nfs/dbraw/zinc/09/01/39/1060090139.db2.gz CUJQFWONBSURGD-WMZOPIPTSA-N 0 0 374.485 2.972 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H](CO)C(F)(F)F)c1 ZINC001456749914 1060187296 /nfs/dbraw/zinc/18/72/96/1060187296.db2.gz WQZXNKNFHQTKCA-OAHLLOKOSA-N 0 0 354.328 2.560 20 10 FFCDRN CCC[C@H](NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C)C(=O)OC ZINC001457018044 1060252812 /nfs/dbraw/zinc/25/28/12/1060252812.db2.gz JWRVHTFMAHMYQS-KRWDZBQOSA-N 0 0 356.422 2.978 20 10 FFCDRN CN(C)c1ccc(Cn2c(Nc3ccn(C)n3)nnc2C2CC2)cc1F ZINC001517001646 1060297888 /nfs/dbraw/zinc/29/78/88/1060297888.db2.gz GERSXZZDSQDHPR-UHFFFAOYSA-N 0 0 355.421 2.886 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1cnc2ccnn2c1C(F)F ZINC001457923960 1060474914 /nfs/dbraw/zinc/47/49/14/1060474914.db2.gz OCGWDBHWOAAFRO-UHFFFAOYSA-N 0 0 352.728 2.956 20 10 FFCDRN COC[C@H](COC(=O)Cn1c2ccc(OC)cc2c2c1CCCC2)OC ZINC000849817984 1060844940 /nfs/dbraw/zinc/84/49/40/1060844940.db2.gz HWUJWGWIZPTUSU-OAHLLOKOSA-N 0 0 361.438 2.733 20 10 FFCDRN COc1ccc(OC(C)(C)C(=O)OCC(=O)c2ccc(O)c(O)c2)cc1 ZINC000849872944 1060876716 /nfs/dbraw/zinc/87/67/16/1060876716.db2.gz RPCVWEXLTGYLGJ-UHFFFAOYSA-N 0 0 360.362 2.690 20 10 FFCDRN Cc1ccc(O)c(CNS(=O)(=O)c2ccc3nc(Cl)cnc3c2)c1 ZINC001475510910 1061120429 /nfs/dbraw/zinc/12/04/29/1061120429.db2.gz KZLMOZPVZBTVBS-UHFFFAOYSA-N 0 0 363.826 2.776 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc([C@@H]2CC=NO2)n1C[C@H]1CCCCO1 ZINC001526460943 1061135933 /nfs/dbraw/zinc/13/59/33/1061135933.db2.gz RQSVMJDKRASRJW-WBVHZDCISA-N 0 0 371.441 2.636 20 10 FFCDRN C[C@H](NS(=O)(=O)c1c[nH]c2nccc(Cl)c21)c1ccccc1O ZINC001475585665 1061150366 /nfs/dbraw/zinc/15/03/66/1061150366.db2.gz CIFGLBSBXLOQJK-VIFPVBQESA-N 0 0 351.815 2.961 20 10 FFCDRN CC(C)CS(=O)(=O)N1CCC([NH2+]Cc2ccc(Cl)cc2[O-])CC1 ZINC001461993448 1061473890 /nfs/dbraw/zinc/47/38/90/1061473890.db2.gz HEPBOPHZBBREPW-UHFFFAOYSA-N 0 0 360.907 2.585 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCCOCC2)n1Cc1ccccc1 ZINC001522101330 1061549453 /nfs/dbraw/zinc/54/94/53/1061549453.db2.gz LOCKVKITJSZXEL-UHFFFAOYSA-N 0 0 356.451 2.987 20 10 FFCDRN CCOC(=O)CN(Cc1ccc(C(=O)OCC)o1)Cc1ccccc1O ZINC001462371250 1061597242 /nfs/dbraw/zinc/59/72/42/1061597242.db2.gz ONIZPOSVRCHKBK-UHFFFAOYSA-N 0 0 361.394 2.727 20 10 FFCDRN CCOC(=O)CC(C)(C)CN1CCN(c2ccc(OC)cc2OC)CC1 ZINC001462515300 1061654308 /nfs/dbraw/zinc/65/43/08/1061654308.db2.gz AUJUPZACAAONJV-UHFFFAOYSA-N 0 0 364.486 2.805 20 10 FFCDRN COC(=O)c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccc(Cl)c1[O-])C(=O)N2 ZINC001462605810 1061689957 /nfs/dbraw/zinc/68/99/57/1061689957.db2.gz COCYPLBJCWZYPG-INIZCTEOSA-N 0 0 374.824 2.875 20 10 FFCDRN Cc1csc([C@](O)(CC(=O)N(C)c2ccc(N)cc2)C(F)(F)F)n1 ZINC001522216261 1061748029 /nfs/dbraw/zinc/74/80/29/1061748029.db2.gz JBWVVTJAXBTXNR-CQSZACIVSA-N 0 0 359.373 2.837 20 10 FFCDRN C[C@@H](NC(=O)NCc1c(O)cccc1F)c1ccc([S@](C)=O)cc1 ZINC001478374584 1061990747 /nfs/dbraw/zinc/99/07/47/1061990747.db2.gz MRXRUSKVSNTHRG-JNDILOIQSA-N 0 0 350.415 2.829 20 10 FFCDRN Cc1nnc(N(C)Cc2ccccc2O)n1CCCN(C)CC(F)(F)F ZINC001492781966 1062206562 /nfs/dbraw/zinc/20/65/62/1062206562.db2.gz SFEYGQWAVUXMRH-UHFFFAOYSA-N 0 0 371.407 2.813 20 10 FFCDRN CCc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cnn1CC ZINC001463780318 1062255276 /nfs/dbraw/zinc/25/52/76/1062255276.db2.gz XKFQVYZMDUWRIC-UHFFFAOYSA-N 0 0 356.470 2.574 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CNC(=O)c1ccsc1 ZINC001463814552 1062275785 /nfs/dbraw/zinc/27/57/85/1062275785.db2.gz QEMQLXZXSLUCCD-UHFFFAOYSA-N 0 0 357.479 2.737 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC001464009839 1062378194 /nfs/dbraw/zinc/37/81/94/1062378194.db2.gz LPMIXVTUNLMMFJ-VQTJNVASSA-N 0 0 374.506 2.949 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)Cc3ccc(O)c(O)c3)cn2)CC1 ZINC001464256539 1062509853 /nfs/dbraw/zinc/50/98/53/1062509853.db2.gz MLTHVRNVKFFMII-UHFFFAOYSA-N 0 0 355.438 2.588 20 10 FFCDRN CCOC(=O)c1cc(F)cc(S(=O)(=O)N[C@H](C)c2ccccc2O)c1 ZINC001464274004 1062519222 /nfs/dbraw/zinc/51/92/22/1062519222.db2.gz QZKJNKUMBOQXKL-LLVKDONJSA-N 0 0 367.398 2.748 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CNC(=O)c2ccccc21 ZINC001523559525 1062520200 /nfs/dbraw/zinc/52/02/00/1062520200.db2.gz MLFMLEDTUPIEJA-HXUWFJFHSA-N 0 0 363.461 2.772 20 10 FFCDRN O=C(Nc1c2nonc2ccc1Cl)c1ccc(Cn2ccnn2)cc1 ZINC001531533829 1062795401 /nfs/dbraw/zinc/79/54/01/1062795401.db2.gz PSMSKYVVRNGWHU-UHFFFAOYSA-N 0 0 354.757 2.768 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001531693551 1062851270 /nfs/dbraw/zinc/85/12/70/1062851270.db2.gz KXPDYTDPEFSWQD-LJQANCHMSA-N 0 0 369.509 2.894 20 10 FFCDRN Cc1nc(COc2ccc(NC(=O)Cc3ccc(O)c(O)c3)cc2)no1 ZINC001465026548 1062949917 /nfs/dbraw/zinc/94/99/17/1062949917.db2.gz YRZMOHZOEBSUBJ-UHFFFAOYSA-N 0 0 355.350 2.549 20 10 FFCDRN CC/C=C\[C@H](O)c1nnc(N(C)Cc2ccccc2O)n1C[C@@H]1CCCO1 ZINC001525144421 1063169019 /nfs/dbraw/zinc/16/90/19/1063169019.db2.gz KCXWDNGBECPGBB-YCJSHFNXSA-N 0 0 372.469 2.799 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1c2c[nH]nc2CN1C(=O)OC(C)(C)C ZINC001465844556 1063235041 /nfs/dbraw/zinc/23/50/41/1063235041.db2.gz RNITVNCPCNYTCC-INIZCTEOSA-N 0 0 372.425 2.566 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)[C@@H]3c4c[nH]nc4CC[C@H]3C)CC2)cc1 ZINC001466210328 1063364085 /nfs/dbraw/zinc/36/40/85/1063364085.db2.gz FKIODFVRGOMSDJ-QRWLVFNGSA-N 0 0 368.481 2.823 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CCC3(C2)OCCO3)c1 ZINC001466454475 1063440950 /nfs/dbraw/zinc/44/09/50/1063440950.db2.gz JGSJDWTVUAMPHD-SFHVURJKSA-N 0 0 368.433 2.932 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCNC(=O)C[C@H]2c2ccccc2)cc1 ZINC001441682483 1063462255 /nfs/dbraw/zinc/46/22/55/1063462255.db2.gz PXCGZYMIQARRAU-INIZCTEOSA-N 0 0 365.393 2.552 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)Nc1cnc2ccnn2c1 ZINC001467092324 1063633789 /nfs/dbraw/zinc/63/37/89/1063633789.db2.gz MNHPCRGZVHSANM-CQSZACIVSA-N 0 0 352.442 2.856 20 10 FFCDRN NC(=O)c1cc2cc(NC(=O)NCc3cccc(Cl)c3O)ccc2[nH]1 ZINC001467128563 1063646946 /nfs/dbraw/zinc/64/69/46/1063646946.db2.gz GWGCFNJWLOWZSJ-UHFFFAOYSA-N 0 0 358.785 2.948 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC001467161980 1063657373 /nfs/dbraw/zinc/65/73/73/1063657373.db2.gz AWUVHGFFPDWQQJ-RNCFNFMXSA-N 0 0 364.427 2.554 20 10 FFCDRN CCC1(Cn2c(C(=O)NC(C)C)nnc2N(C)Cc2ccccc2O)CC1 ZINC001497744311 1063758248 /nfs/dbraw/zinc/75/82/48/1063758248.db2.gz OSMNKWOSSFFCNY-UHFFFAOYSA-N 0 0 371.485 2.949 20 10 FFCDRN CCc1nnc(N(C)Cc2cnccn2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001498683511 1063848408 /nfs/dbraw/zinc/84/84/08/1063848408.db2.gz PBFDCMJDIVUIFI-UHFFFAOYSA-N 0 0 369.448 2.520 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@@H](O)Cc1ccccc1F ZINC001467994215 1063902028 /nfs/dbraw/zinc/90/20/28/1063902028.db2.gz KRJNXDGLRSYFJH-IBGZPJMESA-N 0 0 371.456 2.829 20 10 FFCDRN COC(=O)[C@H](CC1CC1)NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1 ZINC001469100330 1064090929 /nfs/dbraw/zinc/09/09/29/1064090929.db2.gz YAWZNOXRFSJQIB-IBGZPJMESA-N 0 0 368.433 2.978 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)C1(S(=O)(=O)c2ccccc2)CC1 ZINC001469873556 1064221733 /nfs/dbraw/zinc/22/17/33/1064221733.db2.gz BYNBMOMGOCQSFA-UHFFFAOYSA-N 0 0 365.838 2.668 20 10 FFCDRN Cc1ccncc1CNC(=O)NCc1cccc(Br)c1O ZINC001470253630 1064287441 /nfs/dbraw/zinc/28/74/41/1064287441.db2.gz PPDLYHLMSOKYGZ-UHFFFAOYSA-N 0 0 350.216 2.858 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)c1 ZINC001470253881 1064288024 /nfs/dbraw/zinc/28/80/24/1064288024.db2.gz AQCWUSHPJVKWQI-UHFFFAOYSA-N 0 0 359.813 2.814 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(O)ccc3C)CC2)c(OC)c1 ZINC001470857648 1064472669 /nfs/dbraw/zinc/47/26/69/1064472669.db2.gz AUZUZGXBOHLMQL-UHFFFAOYSA-N 0 0 356.422 2.680 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1cccn2cc(C(F)(F)F)nc12 ZINC001471662269 1064750729 /nfs/dbraw/zinc/75/07/29/1064750729.db2.gz WPXWPGDAHZSDPX-UHFFFAOYSA-N 0 0 351.284 2.694 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@H](CO)C[C@@H]1CCCO1 ZINC001471897322 1064843674 /nfs/dbraw/zinc/84/36/74/1064843674.db2.gz KBQWRRNDZVJWHG-ROUUACIJSA-N 0 0 370.449 2.566 20 10 FFCDRN CSc1ncc(C(=O)NCc2c(O)cccc2O)n1-c1ccccc1 ZINC001472061471 1064914032 /nfs/dbraw/zinc/91/40/32/1064914032.db2.gz RDCCEZVDJPYNAK-UHFFFAOYSA-N 0 0 355.419 2.935 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1cc(Br)cc2[nH]cnc21 ZINC001472063675 1064914569 /nfs/dbraw/zinc/91/45/69/1064914569.db2.gz QFGFYOUOHTUSEM-UHFFFAOYSA-N 0 0 362.183 2.667 20 10 FFCDRN C[C@]12CN(C(=O)c3c(F)ccc(O)c3O)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC001472616341 1065111270 /nfs/dbraw/zinc/11/12/70/1065111270.db2.gz PUSVWIPPJKKZQQ-VFNWGFHPSA-N 0 0 370.424 2.831 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](c2cn[nH]n2)c2ccccc2)c1 ZINC001577072825 1078300589 /nfs/dbraw/zinc/30/05/89/1078300589.db2.gz PHCZJGRWLLRVMX-XIKOKIGWSA-N 0 0 367.409 2.669 20 10 FFCDRN O=C(NCc1c(O)cccc1F)Nc1ccc(OCc2cn[nH]n2)cc1 ZINC001578013374 1078425365 /nfs/dbraw/zinc/42/53/65/1078425365.db2.gz QQZONDLSAGDCTE-UHFFFAOYSA-N 0 0 357.345 2.550 20 10 FFCDRN Cc1cc(CNC(=O)C(C)(C)n2ccc(N)n2)c(C)n1-c1ccccc1 ZINC001579602039 1078648520 /nfs/dbraw/zinc/64/85/20/1078648520.db2.gz QMNNCNNTPBAAGG-UHFFFAOYSA-N 0 0 351.454 2.924 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c(O)cnc2c(F)cccc21 ZINC001556157718 1075710136 /nfs/dbraw/zinc/71/01/36/1075710136.db2.gz INLCMJSJGQNSAG-JTQLQIEISA-N 0 0 356.353 2.852 20 10 FFCDRN CCOc1cccc(CN(CCO)C(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001557029244 1075800163 /nfs/dbraw/zinc/80/01/63/1075800163.db2.gz NRAVCEDQELAQDK-UHFFFAOYSA-N 0 0 370.409 2.882 20 10 FFCDRN Cc1c(N)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)ccc1F ZINC001585539457 1079473639 /nfs/dbraw/zinc/47/36/39/1079473639.db2.gz IJCMEDTWFPKFLC-UHFFFAOYSA-N 0 0 357.429 2.607 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC001557385838 1075844214 /nfs/dbraw/zinc/84/42/14/1075844214.db2.gz KNXPUSJKJLKBHG-UHFFFAOYSA-N 0 0 358.781 2.629 20 10 FFCDRN Cc1cc(CCNC(=O)[C@H]2CCCn3ncnc32)c(C)n1-c1ccccc1 ZINC001557818493 1075894802 /nfs/dbraw/zinc/89/48/02/1075894802.db2.gz DPFYCXXQWGGOSW-IBGZPJMESA-N 0 0 363.465 2.922 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(c2ccc(F)cc2F)CC1 ZINC001557944818 1075916588 /nfs/dbraw/zinc/91/65/88/1075916588.db2.gz LVONVSWOIGSXAF-QHHAFSJGSA-N 0 0 360.360 2.738 20 10 FFCDRN COc1cccc(-c2nc(C)c(C(=O)NCc3cccc(O)c3O)[nH]2)c1 ZINC001558161051 1075952718 /nfs/dbraw/zinc/95/27/18/1075952718.db2.gz FSIZGNPTHPYBQF-UHFFFAOYSA-N 0 0 353.378 2.735 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)c1cc2cc(F)ccc2[nH]c1=O ZINC001585788495 1079500528 /nfs/dbraw/zinc/50/05/28/1079500528.db2.gz VIWHYECWJKRDCT-UHFFFAOYSA-N 0 0 353.397 2.972 20 10 FFCDRN O=C(NCc1c(O)cccc1O)C1CCN(c2nc3ccccc3o2)CC1 ZINC001558533785 1076026913 /nfs/dbraw/zinc/02/69/13/1076026913.db2.gz KAKYQEGDXKZSPK-UHFFFAOYSA-N 0 0 367.405 2.772 20 10 FFCDRN CC(C)n1cc(Br)c(C(=O)NCc2c(O)cccc2O)n1 ZINC001558536122 1076027551 /nfs/dbraw/zinc/02/75/51/1076027551.db2.gz SQLDQPZDPSCLDX-UHFFFAOYSA-N 0 0 354.204 2.568 20 10 FFCDRN Cc1cc(C(=O)Nc2ccnn2C2CC2)ccc1NC(=O)C1=S=CC=C1 ZINC001558762292 1076071511 /nfs/dbraw/zinc/07/15/11/1076071511.db2.gz NLKDIDFUGDAUHO-UHFFFAOYSA-N 0 0 366.446 2.995 20 10 FFCDRN O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1NCCN1CCCC1=O ZINC001559230182 1076137128 /nfs/dbraw/zinc/13/71/28/1076137128.db2.gz WWGIUAJLRSDLFT-UHFFFAOYSA-N 0 0 353.378 2.860 20 10 FFCDRN CN(CC(=O)Nc1ccc(N=Nc2ccccc2)cc1)[C@@H]1COC[C@H]1O ZINC001560152121 1076236543 /nfs/dbraw/zinc/23/65/43/1076236543.db2.gz BEOMEAMKXDYUAV-QZTJIDSGSA-N 0 0 354.410 2.732 20 10 FFCDRN CC(C)OCCCNC(=O)C1CC[NH+](Cc2cc(F)c(F)cc2[O-])CC1 ZINC001560673815 1076290423 /nfs/dbraw/zinc/29/04/23/1076290423.db2.gz CHFHZFJJEHLERY-UHFFFAOYSA-N 0 0 370.440 2.814 20 10 FFCDRN COc1ccc(N2CC[C@H](NS(=O)(=O)CC34CCC(CC3)C4)C2)cc1 ZINC001561740800 1076415430 /nfs/dbraw/zinc/41/54/30/1076415430.db2.gz ZHYSMWOQEZDZMK-WUJZJPHMSA-N 0 0 364.511 2.774 20 10 FFCDRN C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1O ZINC001561837917 1076431731 /nfs/dbraw/zinc/43/17/31/1076431731.db2.gz HEXQMFRTQDPDBJ-VIFPVBQESA-N 0 0 356.787 2.993 20 10 FFCDRN CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2cccc(Cl)c2O)c1 ZINC001562008724 1076464688 /nfs/dbraw/zinc/46/46/88/1076464688.db2.gz QIHQVKAVWNYOET-UHFFFAOYSA-N 0 0 368.842 2.791 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCCN3CCc4ccccc43)ccc21 ZINC001563791475 1076583181 /nfs/dbraw/zinc/58/31/81/1076583181.db2.gz AIQGXCOVJCQYMA-UHFFFAOYSA-N 0 0 364.493 2.931 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)N3CCOCCN3)cc2Cl)C1 ZINC001564650457 1076650839 /nfs/dbraw/zinc/65/08/39/1076650839.db2.gz XFUVHPBEJFGZIY-CQSZACIVSA-N 0 0 366.893 2.623 20 10 FFCDRN CO[C@@]1(CNC(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)CCSC1 ZINC001564946768 1076672457 /nfs/dbraw/zinc/67/24/57/1076672457.db2.gz VTZVFSXQMPAECA-DNVCBOLYSA-N 0 0 365.543 2.813 20 10 FFCDRN CCOC(=O)[C@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)C1CC1 ZINC001565652396 1076750927 /nfs/dbraw/zinc/75/09/27/1076750927.db2.gz GLBSAHGPCCGLGX-LJQANCHMSA-N 0 0 368.433 2.978 20 10 FFCDRN C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)c1ns[nH]c1=O ZINC001566846474 1076985414 /nfs/dbraw/zinc/98/54/14/1076985414.db2.gz WEVLZJZEGSIUPL-LBPRGKRZSA-N 0 0 355.419 2.941 20 10 FFCDRN CCC[C@@H](O)[C@H](CO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC001570211548 1077191036 /nfs/dbraw/zinc/19/10/36/1077191036.db2.gz ZNSLTSFIJWGJEV-ZWKOTPCHSA-N 0 0 364.873 2.999 20 10 FFCDRN C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc2cccnc2c1O ZINC001570531849 1077213401 /nfs/dbraw/zinc/21/34/01/1077213401.db2.gz QPVOUKZITGQMJA-CWTRNNRKSA-N 0 0 350.374 2.785 20 10 FFCDRN CCOC(=O)[C@@H](C(=O)NCc1ccc2cccnc2c1O)c1ccccc1 ZINC001570533823 1077214214 /nfs/dbraw/zinc/21/42/14/1077214214.db2.gz SAOWMWTWXXVIKE-QGZVFWFLSA-N 0 0 364.401 2.904 20 10 FFCDRN Cc1ccc(F)c(N)c1C(=O)Nc1cccc(N2CCC(C(N)=O)CC2)c1 ZINC001586561292 1079649448 /nfs/dbraw/zinc/64/94/48/1079649448.db2.gz WPYRLQLZOFUQMH-UHFFFAOYSA-N 0 0 370.428 2.670 20 10 FFCDRN Cc1cc(CNC(=O)c2ccc(C(N)=O)nc2)c(C)n1-c1cccc(C)c1 ZINC001587020525 1079722408 /nfs/dbraw/zinc/72/24/08/1079722408.db2.gz AZLORCMQGBAQNZ-UHFFFAOYSA-N 0 0 362.433 2.826 20 10 FFCDRN C[C@@H]1C[C@H]1NC(=O)CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S ZINC001587430073 1079790953 /nfs/dbraw/zinc/79/09/53/1079790953.db2.gz FUXASWRZZSWMPQ-AOQYEJKTSA-N 0 0 364.467 2.942 20 10 FFCDRN CC[C@@]1(C(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)CCNC1=O ZINC001587880783 1079884787 /nfs/dbraw/zinc/88/47/87/1079884787.db2.gz IMLUYGPNDAGTQC-OAQYLSRUSA-N 0 0 353.466 2.935 20 10 FFCDRN C[C@@H](NC(=O)N[C@@H](C)c1ccccc1O)c1cccc(-c2nn[nH]n2)c1 ZINC001589934977 1080877538 /nfs/dbraw/zinc/87/75/38/1080877538.db2.gz PUXPIMZUDOWFBN-NEPJUHHUSA-N 0 0 352.398 2.694 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)c1cnn(CC2CCC2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589953802 1080899533 /nfs/dbraw/zinc/89/95/33/1080899533.db2.gz VYCSSHGOQGWHHR-QWHCGFSZSA-N 0 0 367.457 2.981 20 10 FFCDRN Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1cccc(Br)c1O ZINC000277660798 510968436 /nfs/dbraw/zinc/96/84/36/510968436.db2.gz ZXXYLRLKRSGPCG-QMMMGPOBSA-N 0 0 352.232 2.915 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)N[C@H]2CCc3c[nH]nc3C2)C2CC2)cc1 ZINC000371141990 512239632 /nfs/dbraw/zinc/23/96/32/512239632.db2.gz IOXDGWHCHBBVJW-INIZCTEOSA-N 0 0 353.470 2.707 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1c1ncccn1 ZINC000373259496 512243981 /nfs/dbraw/zinc/24/39/81/512243981.db2.gz LEGOPXCODJHDSR-SZMVWBNQSA-N 0 0 366.465 2.978 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)C2CC2)cc1 ZINC000377415610 512259167 /nfs/dbraw/zinc/25/91/67/512259167.db2.gz FNIHKKOTVOIESU-FXAWDEMLSA-N 0 0 373.522 2.698 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H]2CN(C(=O)/C=C/c3ccc(O)c(O)c3)[C@@H]2C1 ZINC000373338958 512281525 /nfs/dbraw/zinc/28/15/25/512281525.db2.gz VWOMTEMORKZNKQ-IPKOWEFYSA-N 0 0 374.437 2.579 20 10 FFCDRN O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(N2CCOCC2)cc1 ZINC000054284929 506532057 /nfs/dbraw/zinc/53/20/57/506532057.db2.gz GNFIQIKHLJAXAE-UHFFFAOYSA-N 0 0 364.449 2.649 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCc2sccc2C1 ZINC000054786186 506622411 /nfs/dbraw/zinc/62/24/11/506622411.db2.gz ZOAINXZXBDKAHJ-UHFFFAOYSA-N 0 0 357.479 2.853 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCNC(=O)c2ccco2)cc1F ZINC000066841616 506660922 /nfs/dbraw/zinc/66/09/22/506660922.db2.gz OEBWIXPLMCGYRR-UHFFFAOYSA-N 0 0 361.417 2.701 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1)n1cccn1 ZINC000055530927 506770970 /nfs/dbraw/zinc/77/09/70/506770970.db2.gz ZMPPWUIWIIGIEK-RBSFLKMASA-N 0 0 360.433 2.513 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1ncc(Br)cn1 ZINC000067348101 506836880 /nfs/dbraw/zinc/83/68/80/506836880.db2.gz HMRDXXAOVZSHAX-UHFFFAOYSA-N 0 0 363.259 2.712 20 10 FFCDRN Cc1cc(C(=O)N2CCCN(C(=O)C(C)C)CC2)c(C)n1-c1ccccn1 ZINC000068187850 507142774 /nfs/dbraw/zinc/14/27/74/507142774.db2.gz ZVFYHVNZGXOKIB-UHFFFAOYSA-N 0 0 368.481 2.820 20 10 FFCDRN O=C(Cc1ccc(F)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000057175866 507196630 /nfs/dbraw/zinc/19/66/30/507196630.db2.gz IRQWJILKLKQRRD-UHFFFAOYSA-N 0 0 360.404 2.785 20 10 FFCDRN COCc1cccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000047293658 507303539 /nfs/dbraw/zinc/30/35/39/507303539.db2.gz DHEPGFOMNQSYKN-UHFFFAOYSA-N 0 0 372.440 2.863 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@H](CNC(N)=O)C2)c(C)n1-c1ccccc1 ZINC000047401008 507322653 /nfs/dbraw/zinc/32/26/53/507322653.db2.gz AGCWFKZIZPGYHI-MRXNPFEDSA-N 0 0 354.454 2.615 20 10 FFCDRN CN(C)c1ccc(CNc2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])cc1F ZINC000058545569 507435381 /nfs/dbraw/zinc/43/53/81/507435381.db2.gz MNAQFXWGYDNXBO-UHFFFAOYSA-N 0 0 357.345 2.649 20 10 FFCDRN CCCOc1cccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c1 ZINC000049153100 507598565 /nfs/dbraw/zinc/59/85/65/507598565.db2.gz HHFWVNSDOHCBNR-UHFFFAOYSA-N 0 0 355.438 2.796 20 10 FFCDRN CCCNC(=O)CN(CCC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000050147115 507670113 /nfs/dbraw/zinc/67/01/13/507670113.db2.gz JYLYBIUXKAPNMX-UHFFFAOYSA-N 0 0 360.502 2.735 20 10 FFCDRN COc1cc(Br)cc(CN2CCC[C@@H]2c2ncon2)c1O ZINC000371376783 512361496 /nfs/dbraw/zinc/36/14/96/512361496.db2.gz ZTQSBBWEVKSNAT-LLVKDONJSA-N 0 0 354.204 2.883 20 10 FFCDRN COc1ccc(N2CCCN([C@H](C)C(=O)Nc3cc(C)no3)CC2)cc1 ZINC000052467002 507810318 /nfs/dbraw/zinc/81/03/18/507810318.db2.gz WSHNPMJWPVHEBX-OAHLLOKOSA-N 0 0 358.442 2.531 20 10 FFCDRN NC(=O)[C@@H]1CCN(C(=O)/C=C/c2cnc3ccccc3n2)c2ccccc21 ZINC000089465329 507840657 /nfs/dbraw/zinc/84/06/57/507840657.db2.gz MIWWPZMGQNXAHP-ZNFPLGDCSA-N 0 0 358.401 2.649 20 10 FFCDRN CN(C)c1cc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)ccn1 ZINC000078775694 507906148 /nfs/dbraw/zinc/90/61/48/507906148.db2.gz JACGBNJITORTTN-QGZVFWFLSA-N 0 0 355.438 2.675 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)cc1 ZINC000108680817 507911779 /nfs/dbraw/zinc/91/17/79/507911779.db2.gz YTVQNYXTIMOXMN-LJQANCHMSA-N 0 0 365.477 2.921 20 10 FFCDRN O=C(NCCNC(=O)N(Cc1ccccc1O)C1CCCCC1)C1CC1 ZINC000073498544 507926650 /nfs/dbraw/zinc/92/66/50/507926650.db2.gz WXGROOMLTMDWFX-UHFFFAOYSA-N 0 0 359.470 2.763 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccc3c(c2)CCCN3C)c1O ZINC000073917526 507966976 /nfs/dbraw/zinc/96/69/76/507966976.db2.gz NQFDWUPVRKBLCR-UHFFFAOYSA-N 0 0 355.438 2.783 20 10 FFCDRN Cc1cc(CC(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)no1 ZINC000074224596 507999974 /nfs/dbraw/zinc/99/99/74/507999974.db2.gz HPWRCPAPTWAMOG-KBPBESRZSA-N 0 0 361.417 2.595 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn(C)nc1C(C)(C)C ZINC000092235253 508052916 /nfs/dbraw/zinc/05/29/16/508052916.db2.gz GSKPVUOZRQPAAC-UHFFFAOYSA-N 0 0 370.497 2.826 20 10 FFCDRN Cc1ncc(C(=O)N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)[nH]1 ZINC000075181678 508087908 /nfs/dbraw/zinc/08/79/08/508087908.db2.gz NMPWCQIJUZGNLE-GFCCVEGCSA-N 0 0 350.369 2.718 20 10 FFCDRN CNC(=O)[C@H](C)CN(C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000081438939 508174821 /nfs/dbraw/zinc/17/48/21/508174821.db2.gz FNQUCZSKGFASGL-CYBMUJFWSA-N 0 0 357.454 2.557 20 10 FFCDRN CNC(=O)c1ccc(CN(CCOC)c2ccc(OC)c(OC)c2)cc1 ZINC000083212563 508241406 /nfs/dbraw/zinc/24/14/06/508241406.db2.gz RSHHZOIECUMRSM-UHFFFAOYSA-N 0 0 358.438 2.716 20 10 FFCDRN Cc1cc(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)c(C)n1-c1ccccn1 ZINC000104365980 508333297 /nfs/dbraw/zinc/33/32/97/508333297.db2.gz IOQREMBIVUUSIP-UHFFFAOYSA-N 0 0 359.393 2.922 20 10 FFCDRN CN(CC(C)(C)O)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000152449741 508448490 /nfs/dbraw/zinc/44/84/90/508448490.db2.gz CTDGIDDWARGRFP-CYBMUJFWSA-N 0 0 371.428 2.669 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)[C@@H]1C[C@H]1c1ccco1 ZINC000127551067 508467665 /nfs/dbraw/zinc/46/76/65/508467665.db2.gz GBRXCUVTRMISCD-RTBURBONSA-N 0 0 354.450 2.908 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN(Cc2ccncc2)C2CC2)cc1 ZINC000122371083 508524860 /nfs/dbraw/zinc/52/48/60/508524860.db2.gz XOOVZBQMMSVINW-UHFFFAOYSA-N 0 0 352.482 2.771 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)[C@@H]1CC(=O)N(Cc2ccco2)C1 ZINC000116534137 508526148 /nfs/dbraw/zinc/52/61/48/508526148.db2.gz UMUYENRKTCFDJQ-MRXNPFEDSA-N 0 0 356.422 2.773 20 10 FFCDRN CNC(=O)CCCN(C)C(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000153912126 508675249 /nfs/dbraw/zinc/67/52/49/508675249.db2.gz CCABCYJLCYPOQL-UHFFFAOYSA-N 0 0 357.454 2.701 20 10 FFCDRN CCCC[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000147028232 508855262 /nfs/dbraw/zinc/85/52/62/508855262.db2.gz ZCSNNRFFBJNYDH-SFHVURJKSA-N 0 0 360.502 2.862 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000151094382 508955121 /nfs/dbraw/zinc/95/51/21/508955121.db2.gz SUSGIRRLAURJHK-PXNSSMCTSA-N 0 0 373.522 2.917 20 10 FFCDRN CN(C)c1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000160686459 509020308 /nfs/dbraw/zinc/02/03/08/509020308.db2.gz NFKNPPSBCBLLIT-UHFFFAOYSA-N 0 0 357.429 2.658 20 10 FFCDRN COc1ccccc1N1CC[C@H](NC(=O)N(C)Cc2ccccc2O)C1 ZINC000132498097 509038984 /nfs/dbraw/zinc/03/89/84/509038984.db2.gz OHIAKBLNAOXBPM-INIZCTEOSA-N 0 0 355.438 2.821 20 10 FFCDRN COc1cc(F)c(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1OC ZINC000133066398 509110962 /nfs/dbraw/zinc/11/09/62/509110962.db2.gz MFMRNZRBMZIFNM-UHFFFAOYSA-N 0 0 360.385 2.948 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)Nc1ccc(Cl)nc1 ZINC000121038337 509115238 /nfs/dbraw/zinc/11/52/38/509115238.db2.gz XLPHTEALUBNELS-UHFFFAOYSA-N 0 0 360.845 2.788 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@H](C)c3c(C)n[nH]c3C)CC2)cc1F ZINC000133130172 509120733 /nfs/dbraw/zinc/12/07/33/509120733.db2.gz SRCRBBBTZPXFMO-GFCCVEGCSA-N 0 0 360.433 2.627 20 10 FFCDRN COC(=O)[C@H](c1cccnc1)N1CCCN(c2ccc(OC)cc2)CC1 ZINC000156267558 509152564 /nfs/dbraw/zinc/15/25/64/509152564.db2.gz 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CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Br)cn1C ZINC000173189124 509445722 /nfs/dbraw/zinc/44/57/22/509445722.db2.gz CFWSPAPWOXPLIN-UHFFFAOYSA-N 0 0 364.243 2.893 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)C(=O)c1ccc2c(c1)CCC2 ZINC000173199676 509450378 /nfs/dbraw/zinc/45/03/78/509450378.db2.gz YSBOUYUKZWSPMK-UHFFFAOYSA-N 0 0 350.418 2.850 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1c(F)cccc1F ZINC000164018749 509453701 /nfs/dbraw/zinc/45/37/01/509453701.db2.gz SHDPUNVNNDSDEN-UHFFFAOYSA-N 0 0 368.405 2.760 20 10 FFCDRN CCS[C@H]1CCC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1 ZINC000267360108 509466528 /nfs/dbraw/zinc/46/65/28/509466528.db2.gz PKKCBCXUKOQJRY-YPMHNXCESA-N 0 0 372.512 2.558 20 10 FFCDRN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2ccc(N(C)C)cc2)C1 ZINC000176378850 509477676 /nfs/dbraw/zinc/47/76/76/509477676.db2.gz PQEHPGZCVOPVAO-ICKUNSISSA-N 0 0 351.516 2.632 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)no1 ZINC000164308890 509487224 /nfs/dbraw/zinc/48/72/24/509487224.db2.gz 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509672241 /nfs/dbraw/zinc/67/22/41/509672241.db2.gz NOORDDBWHOTGAV-UHFFFAOYSA-N 0 0 359.401 2.572 20 10 FFCDRN O=C(Cc1cccc(F)c1F)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000267977971 509699243 /nfs/dbraw/zinc/69/92/43/509699243.db2.gz XRAFBXWGSFUONL-UHFFFAOYSA-N 0 0 364.367 2.799 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193046857 509752018 /nfs/dbraw/zinc/75/20/18/509752018.db2.gz ABVYSIGQBSHQQD-NXEZZACHSA-N 0 0 367.298 2.631 20 10 FFCDRN CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)OC)cc2)SC1=S ZINC000268131422 509771452 /nfs/dbraw/zinc/77/14/52/509771452.db2.gz FMLWEUYAONWPDB-AVMBBCFPSA-N 0 0 351.449 2.848 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 ZINC000237944539 509782055 /nfs/dbraw/zinc/78/20/55/509782055.db2.gz GIEYHGMXAHQKNP-AWEZNQCLSA-N 0 0 357.841 2.634 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H](C)NC(=O)CC1CCCCC1 ZINC000183439375 509790986 /nfs/dbraw/zinc/79/09/86/509790986.db2.gz YGNYKMPVYOQSSJ-KGLIPLIRSA-N 0 0 362.470 2.620 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 ZINC000183472954 509811443 /nfs/dbraw/zinc/81/14/43/509811443.db2.gz CHBJVZYRXNRVES-LLVKDONJSA-N 0 0 371.393 2.941 20 10 FFCDRN Nc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)cc1 ZINC000238087284 509817700 /nfs/dbraw/zinc/81/77/00/509817700.db2.gz CSKFJCWTWMCOBM-AWEZNQCLSA-N 0 0 363.421 2.636 20 10 FFCDRN Cc1cc(C(=O)NCc2nnc(C(C)C)n2C)c(C)n1-c1ccccn1 ZINC000183491353 509824626 /nfs/dbraw/zinc/82/46/26/509824626.db2.gz UPFULKSXKUIKMQ-UHFFFAOYSA-N 0 0 352.442 2.671 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ncccc1Br ZINC000193394895 509895286 /nfs/dbraw/zinc/89/52/86/509895286.db2.gz PNSOSIHZFNNDBD-UHFFFAOYSA-N 0 0 362.227 2.949 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](c2cnn(C)c2)c2ccc(F)cc2)c(O)c1O ZINC000186825196 509906385 /nfs/dbraw/zinc/90/63/85/509906385.db2.gz UOCDSYWYTHMBHK-INIZCTEOSA-N 0 0 355.369 2.798 20 10 FFCDRN COc1cccc(CNC(=O)[C@@H](O)Cc2cccc(C(F)(F)F)c2)c1O ZINC000186870652 509921937 /nfs/dbraw/zinc/92/19/37/509921937.db2.gz LMUOCFIYLKXMOU-AWEZNQCLSA-N 0 0 369.339 2.639 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)c1ccc(F)c(F)c1 ZINC000174062370 509929407 /nfs/dbraw/zinc/92/94/07/509929407.db2.gz CWHJXZPPVYAAKK-UHFFFAOYSA-N 0 0 354.378 2.619 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1F ZINC000177284985 509979427 /nfs/dbraw/zinc/97/94/27/509979427.db2.gz HLNROVMJPJFOBC-UHFFFAOYSA-N 0 0 359.357 2.705 20 10 FFCDRN COCCCOc1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000268515868 509982262 /nfs/dbraw/zinc/98/22/62/509982262.db2.gz XBAGPRCQRAQKPJ-UHFFFAOYSA-N 0 0 360.410 2.877 20 10 FFCDRN Cc1cc(N2CCOCC2)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180642765 510029158 /nfs/dbraw/zinc/02/91/58/510029158.db2.gz XMISCPRSOQQAIY-XVNBXDOJSA-N 0 0 354.406 2.895 20 10 FFCDRN CC[C@H](C)NC(=O)CCNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000265413953 510041021 /nfs/dbraw/zinc/04/10/21/510041021.db2.gz GBRYWMHJGQGIOW-INIZCTEOSA-N 0 0 362.518 2.977 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccccc2OC(C)(C)C)c1O ZINC000265590200 510129668 /nfs/dbraw/zinc/12/96/68/510129668.db2.gz RSDMGASBUPCEDS-UHFFFAOYSA-N 0 0 372.421 2.833 20 10 FFCDRN COc1ccccc1N1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000181185294 510293329 /nfs/dbraw/zinc/29/33/29/510293329.db2.gz CSEBBGFKUSRKRD-LOWQCSRCSA-N 0 0 354.406 2.515 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N[C@@H](CO)c1ccc(F)cc1 ZINC000265912558 510295658 /nfs/dbraw/zinc/29/56/58/510295658.db2.gz FHGSEYIZPPEISA-IBGZPJMESA-N 0 0 355.413 2.735 20 10 FFCDRN NC(=O)c1ccc(NC(=O)Cc2ccc(N)cc2)cc1N1CCCCC1 ZINC000269229114 510302524 /nfs/dbraw/zinc/30/25/24/510302524.db2.gz SEODUFDXKBCUBP-UHFFFAOYSA-N 0 0 352.438 2.539 20 10 FFCDRN Cc1cccc(N2C[C@@H](C(=O)NCCc3ccc(N)cc3)CC2=O)c1C ZINC000262584707 510325197 /nfs/dbraw/zinc/32/51/97/510325197.db2.gz UASFFVPSSQCWPT-KRWDZBQOSA-N 0 0 351.450 2.597 20 10 FFCDRN CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000266165926 510442958 /nfs/dbraw/zinc/44/29/58/510442958.db2.gz PIKHJKGDARBCIJ-FQEVSTJZSA-N 0 0 350.466 2.681 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccc(C=O)[nH]2)cc1 ZINC000175181299 510521619 /nfs/dbraw/zinc/52/16/19/510521619.db2.gz XZWDNLWBADQXEB-SFHVURJKSA-N 0 0 355.438 2.715 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2c(c1)OCC(=O)N2 ZINC000266347470 510530527 /nfs/dbraw/zinc/53/05/27/510530527.db2.gz GMQLZWGQUXVKIB-UHFFFAOYSA-N 0 0 367.405 2.924 20 10 FFCDRN Cc1c(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cnn1C ZINC000266350176 510532020 /nfs/dbraw/zinc/53/20/20/510532020.db2.gz FBUNLOWZYRBAIL-ZDUSSCGKSA-N 0 0 364.396 2.729 20 10 FFCDRN C[N@@H+](Cc1ccc(N2CCOCC2)cc1)C[C@@H](O)COc1ccc(F)cc1 ZINC000184829316 510534767 /nfs/dbraw/zinc/53/47/67/510534767.db2.gz KYWDOOYBDONUHY-HXUWFJFHSA-N 0 0 374.456 2.534 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnc(C)nc3C(C)C)CC2)cc1 ZINC000172096201 510541894 /nfs/dbraw/zinc/54/18/94/510541894.db2.gz HDIHXWDVLKLSMJ-UHFFFAOYSA-N 0 0 354.454 2.879 20 10 FFCDRN Cc1ccc([C@H]2COCCN2CC(=O)N(C)Cc2ccc(N(C)C)cc2)o1 ZINC000172098205 510543223 /nfs/dbraw/zinc/54/32/23/510543223.db2.gz KHKRVRSJVDFWKQ-LJQANCHMSA-N 0 0 371.481 2.686 20 10 FFCDRN COc1ccc(N(C)CC(=O)Nc2cccc(NC(C)=O)c2)c(OC)c1 ZINC000269854353 510570689 /nfs/dbraw/zinc/57/06/89/510570689.db2.gz YMUVBQBAAUHJEO-UHFFFAOYSA-N 0 0 357.410 2.737 20 10 FFCDRN CC(C)Cn1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cn1 ZINC000266420321 510576820 /nfs/dbraw/zinc/57/68/20/510576820.db2.gz UPGSBDWNINXZPW-UHFFFAOYSA-N 0 0 357.458 2.697 20 10 FFCDRN Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c(O)c1O ZINC000181819690 510611272 /nfs/dbraw/zinc/61/12/72/510611272.db2.gz ZRQVLIJJIKXAHD-UHFFFAOYSA-N 0 0 356.422 2.515 20 10 FFCDRN C[C@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)O1 ZINC000175529346 510670919 /nfs/dbraw/zinc/67/09/19/510670919.db2.gz YPEYFHVEPVULSD-OXJNMPFZSA-N 0 0 360.498 2.859 20 10 FFCDRN COC(C)(C)C[C@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000175674085 510726605 /nfs/dbraw/zinc/72/66/05/510726605.db2.gz NNNUBUIKLWEKKD-AWEZNQCLSA-N 0 0 367.465 2.665 20 10 FFCDRN COC(C)(C)C[C@@H](C)NC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000175674104 510726617 /nfs/dbraw/zinc/72/66/17/510726617.db2.gz NNNUBUIKLWEKKD-CQSZACIVSA-N 0 0 367.465 2.665 20 10 FFCDRN CC[C@@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS1 ZINC000175674332 510726681 /nfs/dbraw/zinc/72/66/81/510726681.db2.gz WIGZKNNWFWEBQJ-OAHLLOKOSA-N 0 0 367.490 2.699 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)[C@H]2CCCC(=O)N2)cc1 ZINC000270249451 510734816 /nfs/dbraw/zinc/73/48/16/510734816.db2.gz MAJQCFQLMRTGLG-GOSISDBHSA-N 0 0 355.438 2.543 20 10 FFCDRN Oc1cc2c(cc1CNc1ccc(Cc3nnc4n3CCC4)cc1)OCO2 ZINC000191646615 510770667 /nfs/dbraw/zinc/77/06/67/510770667.db2.gz HTMCSHPPYNXWHI-UHFFFAOYSA-N 0 0 364.405 2.862 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC000263684687 510788882 /nfs/dbraw/zinc/78/88/82/510788882.db2.gz LGMOGEACZNYLFK-UHFFFAOYSA-N 0 0 366.465 2.608 20 10 FFCDRN COc1ccc(O)c(CN[C@H](c2noc(C)n2)c2ccccc2OC)c1 ZINC000182227754 510823149 /nfs/dbraw/zinc/82/31/49/510823149.db2.gz JYNHSNGVQDSPRA-SFHVURJKSA-N 0 0 355.394 2.980 20 10 FFCDRN O=S(=O)(C[C@H]1CCOC1)N(Cc1ccccc1O)C1CCCCC1 ZINC000172659578 510838801 /nfs/dbraw/zinc/83/88/01/510838801.db2.gz MFGVATNJOHSVIZ-HNNXBMFYSA-N 0 0 353.484 2.893 20 10 FFCDRN CCc1nn(C)cc1NC(=O)C(=O)N(CC1CCCC1)c1ccc(N)cc1 ZINC000275927033 510922345 /nfs/dbraw/zinc/92/23/45/510922345.db2.gz ZEDCKNVKOSMZQI-UHFFFAOYSA-N 0 0 369.469 2.727 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)C[C@H]3C=CCCC3)cc2)CC1 ZINC000276131419 510929521 /nfs/dbraw/zinc/92/95/21/510929521.db2.gz ITMYGWCFPQFCAA-SFHVURJKSA-N 0 0 355.482 2.718 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(NS(C)(=O)=O)cc1)c1ccc(F)c(F)c1[O-] ZINC000276239146 510929942 /nfs/dbraw/zinc/92/99/42/510929942.db2.gz AXKDBOCFQRMLEF-SNVBAGLBSA-N 0 0 356.394 2.893 20 10 FFCDRN COCCN1C(=O)CCc2cc(NC(=O)NCc3ccccc3O)ccc21 ZINC000276299005 510932190 /nfs/dbraw/zinc/93/21/90/510932190.db2.gz NXTNPRPJEPGOAS-UHFFFAOYSA-N 0 0 369.421 2.640 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCCc2c(O)cccc21 ZINC000276385694 510935912 /nfs/dbraw/zinc/93/59/12/510935912.db2.gz ALCHJXOUGPTTAH-HXUWFJFHSA-N 0 0 366.461 2.965 20 10 FFCDRN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)NCc2cccc(OC)c2O)c1 ZINC000276435957 510939105 /nfs/dbraw/zinc/93/91/05/510939105.db2.gz GNJIYRVAXSFDNI-GOEBONIOSA-N 0 0 357.406 2.838 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)C=Cc2c[nH]cn2)cc1 ZINC000276648665 510944133 /nfs/dbraw/zinc/94/41/33/510944133.db2.gz WEZZVICWGVMKMF-VQFGERMISA-N 0 0 354.454 2.697 20 10 FFCDRN CN1CC[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1c1ccc(F)c(F)c1 ZINC000276656405 510944549 /nfs/dbraw/zinc/94/45/49/510944549.db2.gz XKUDTZCSVNNRRF-CZUORRHYSA-N 0 0 366.339 2.690 20 10 FFCDRN Cc1cc(C(=O)NCCc2nnc(C)n2C)c(C)n1-c1ccc(F)cc1 ZINC000276716536 510945205 /nfs/dbraw/zinc/94/52/05/510945205.db2.gz RSLLHRSCTJKEPT-UHFFFAOYSA-N 0 0 355.417 2.643 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC[C@H](N3CCCC3=O)C2)cc1 ZINC000276752986 510945538 /nfs/dbraw/zinc/94/55/38/510945538.db2.gz MTKUDIAOVRJITJ-IBGZPJMESA-N 0 0 351.450 2.931 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000277062696 510953489 /nfs/dbraw/zinc/95/34/89/510953489.db2.gz JAMMCSMQMVYLGS-AGIUHOORSA-N 0 0 366.458 2.694 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000277063836 510953615 /nfs/dbraw/zinc/95/36/15/510953615.db2.gz WKQYRYYIGQYPBG-CQSZACIVSA-N 0 0 367.829 2.506 20 10 FFCDRN C[C@@H]1C(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C(=O)N1C ZINC000277282169 510958528 /nfs/dbraw/zinc/95/85/28/510958528.db2.gz SYQDMTVVOWZHLE-YPMHNXCESA-N 0 0 353.369 2.539 20 10 FFCDRN O=C1N[C@@H](c2cccc(O)c2)C(=O)N1Cc1ccc(N2CCCC2)cc1 ZINC000277387354 510962042 /nfs/dbraw/zinc/96/20/42/510962042.db2.gz PGYLVQNBUCNSCT-SFHVURJKSA-N 0 0 351.406 2.786 20 10 FFCDRN CC(C)(CCCO)CNC(=O)NCc1cccc(Br)c1O ZINC000277573031 510966141 /nfs/dbraw/zinc/96/61/41/510966141.db2.gz CBEBRQYRKZRJHA-UHFFFAOYSA-N 0 0 359.264 2.753 20 10 FFCDRN COc1c(O)c(CNc2ccccc2N2CCC(O)CC2)ccc1[N+](=O)[O-] ZINC000278309648 510988366 /nfs/dbraw/zinc/98/83/66/510988366.db2.gz DTXWPQRJDNGPGB-UHFFFAOYSA-N 0 0 373.409 2.882 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@H](c2ccco2)N2CCCC2)ccc1[N+](=O)[O-] ZINC000278611919 511000495 /nfs/dbraw/zinc/00/04/95/511000495.db2.gz DWCLCDQKGSGBOP-OAHLLOKOSA-N 0 0 361.398 2.829 20 10 FFCDRN CC[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccc(F)cc1[O-] ZINC000285978754 511016552 /nfs/dbraw/zinc/01/65/52/511016552.db2.gz HMQJYXTVWGPDTA-SJORKVTESA-N 0 0 351.466 2.515 20 10 FFCDRN COCC1(CN2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCC1 ZINC000286356049 511023558 /nfs/dbraw/zinc/02/35/58/511023558.db2.gz PEZQGBWWJABSMI-UHFFFAOYSA-N 0 0 352.818 2.627 20 10 FFCDRN C[C@@](O)(C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000286404550 511024895 /nfs/dbraw/zinc/02/48/95/511024895.db2.gz UMROXNRXFGFTBZ-UGSOOPFHSA-N 0 0 354.397 2.534 20 10 FFCDRN CN(C)S(=O)(=O)c1ccccc1C[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000294323608 511027210 /nfs/dbraw/zinc/02/72/10/511027210.db2.gz REBQCSHVTBTCQA-UHFFFAOYSA-N 0 0 372.849 2.725 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H](c2nncn2C)C(C)C)cc1 ZINC000286749980 511031519 /nfs/dbraw/zinc/03/15/19/511031519.db2.gz UUMQMHVWYPEZGL-QGZVFWFLSA-N 0 0 358.490 2.858 20 10 FFCDRN Cc1cc(C(=O)CN(C)Cc2nncn2C)c(C)n1-c1ccc(F)cc1 ZINC000287008989 511037987 /nfs/dbraw/zinc/03/79/87/511037987.db2.gz QPHLTLKOPSHYJT-UHFFFAOYSA-N 0 0 355.417 2.676 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCc1nccc(C(F)F)n1 ZINC000287234076 511044902 /nfs/dbraw/zinc/04/49/02/511044902.db2.gz QVKJHNHPTSHHGN-ZZXKWVIFSA-N 0 0 374.391 2.580 20 10 FFCDRN CNC(=O)CC[C@@H]1CCCCN1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000287394460 511048423 /nfs/dbraw/zinc/04/84/23/511048423.db2.gz CBVPQOWOLAVLNP-IBGZPJMESA-N 0 0 372.513 2.877 20 10 FFCDRN CNC(=O)CC[C@H]1CCCCN1C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000287438912 511049781 /nfs/dbraw/zinc/04/97/81/511049781.db2.gz LUWPALKBBOOQHW-LJQANCHMSA-N 0 0 370.497 2.653 20 10 FFCDRN Cn1nccc1C1=CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000287516842 511051506 /nfs/dbraw/zinc/05/15/06/511051506.db2.gz STQPDJLTKOKYGM-UHFFFAOYSA-N 0 0 363.465 2.795 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N(C)Cc1occc1C ZINC000297738085 511052733 /nfs/dbraw/zinc/05/27/33/511052733.db2.gz GCNIVWLIHSOJIF-UHFFFAOYSA-N 0 0 357.454 2.661 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1nc(C2CC2)cs1 ZINC000287550120 511052731 /nfs/dbraw/zinc/05/27/31/511052731.db2.gz ULEJIDDMOOJIMF-UHFFFAOYSA-N 0 0 370.478 2.876 20 10 FFCDRN CS[C@@H](C)CNC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000287975163 511061681 /nfs/dbraw/zinc/06/16/81/511061681.db2.gz BHMNLHHQBNKDRR-HNNXBMFYSA-N 0 0 363.527 2.503 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)c2cncc(-n3ccnn3)c2)C2CC2)cc1 ZINC000282669302 511067779 /nfs/dbraw/zinc/06/77/79/511067779.db2.gz OTSALFDHKDKMAG-UHFFFAOYSA-N 0 0 362.437 2.533 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C[C@@H]2CCCC(=O)N2)cc1 ZINC000288379626 511072836 /nfs/dbraw/zinc/07/28/36/511072836.db2.gz ZHQGBSFKJWTVIA-KRWDZBQOSA-N 0 0 369.465 2.933 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000288477452 511077360 /nfs/dbraw/zinc/07/73/60/511077360.db2.gz KZWPKKISNFIJLJ-MJGOQNOKSA-N 0 0 374.481 2.595 20 10 FFCDRN CCC(=O)N[C@H]1CCCN(C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000332275548 511080375 /nfs/dbraw/zinc/08/03/75/511080375.db2.gz HAXQDBJPSVIJOM-HNNXBMFYSA-N 0 0 356.470 2.687 20 10 FFCDRN C[C@H](O)CCCNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000279441486 511084473 /nfs/dbraw/zinc/08/44/73/511084473.db2.gz JZTYLFDGCBGNJG-KBPBESRZSA-N 0 0 371.428 2.717 20 10 FFCDRN CC(=O)C(=O)CSc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 ZINC000289559488 511104522 /nfs/dbraw/zinc/10/45/22/511104522.db2.gz GXZDJCRGLKUGKD-UHFFFAOYSA-N 0 0 364.858 2.771 20 10 FFCDRN CC[C@H]([NH2+]CCCn1cc(CO)nn1)c1cc(Cl)cc(Cl)c1[O-] ZINC000289714460 511112845 /nfs/dbraw/zinc/11/28/45/511112845.db2.gz JFOAITGZXPMZMN-AWEZNQCLSA-N 0 0 359.257 2.914 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H](NC(N)=O)C(C)(C)C ZINC000282858998 511138695 /nfs/dbraw/zinc/13/86/95/511138695.db2.gz CNLLWRTYLLKMEE-KRWDZBQOSA-N 0 0 360.502 2.718 20 10 FFCDRN CO[C@H](C)[C@@H](C)NC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000290804517 511151922 /nfs/dbraw/zinc/15/19/22/511151922.db2.gz PNWHQZWEMSTYKZ-LXTVHRRPSA-N 0 0 367.465 2.662 20 10 FFCDRN C[C@@H]1OCC[C@@]12CN(C(=O)NCc1ccc(N3CC=CC3)cc1)C[C@@H](C)O2 ZINC000279636491 511155267 /nfs/dbraw/zinc/15/52/67/511155267.db2.gz VJEIYFQNLCZESG-LLGFUMIMSA-N 0 0 371.481 2.541 20 10 FFCDRN COCC[C@@H]1COCCN1C(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000291162730 511162019 /nfs/dbraw/zinc/16/20/19/511162019.db2.gz IUPYVHATTZKFSE-GOSISDBHSA-N 0 0 374.481 2.782 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c(O)c1O ZINC000271331184 511166889 /nfs/dbraw/zinc/16/68/89/511166889.db2.gz YXSHPJHLJACMRA-CQSZACIVSA-N 0 0 373.384 2.582 20 10 FFCDRN Cc1nc2ccccn2c1[C@@H]1C(=O)NCCN1Cc1cc(C)c(C)cc1O ZINC000362375166 511182857 /nfs/dbraw/zinc/18/28/57/511182857.db2.gz BJJUAYXYRVSGFB-HXUWFJFHSA-N 0 0 364.449 2.638 20 10 FFCDRN C[N@@H+]1CCCN(c2ccc(NC(=O)c3c(F)ccc(O)c3[O-])cc2)CC1 ZINC000294834160 511193011 /nfs/dbraw/zinc/19/30/11/511193011.db2.gz LWKAMVXQWUPWHY-UHFFFAOYSA-N 0 0 359.401 2.631 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3ccnn3CC(F)(F)F)ccc21 ZINC000294843987 511197243 /nfs/dbraw/zinc/19/72/43/511197243.db2.gz YPGQYVRIMAFVLM-UHFFFAOYSA-N 0 0 352.360 2.758 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CCNC(=O)c1ccco1 ZINC000298383881 511266032 /nfs/dbraw/zinc/26/60/32/511266032.db2.gz SBHXEILAYNYYGE-UHFFFAOYSA-N 0 0 357.454 2.903 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)COc1ccc(C(N)=O)cc1 ZINC000298412709 511275623 /nfs/dbraw/zinc/27/56/23/511275623.db2.gz MKIKXOXNSJFLBK-UHFFFAOYSA-N 0 0 369.465 2.668 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cc1cccc(N2CCCC2=O)c1 ZINC000280056721 511319691 /nfs/dbraw/zinc/31/96/91/511319691.db2.gz APBAPFPWUMPAHJ-AWEZNQCLSA-N 0 0 368.433 2.515 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@H](CS(C)(=O)=O)C2)c(C)n1-c1ccccc1 ZINC000298619612 511350569 /nfs/dbraw/zinc/35/05/69/511350569.db2.gz WMIWRTNRHVEEBQ-KRWDZBQOSA-N 0 0 374.506 2.991 20 10 FFCDRN Cc1cc(Br)cc(CN2C[C@@H](C)O[C@]3(CCOC3)C2)c1O ZINC000280144116 511351717 /nfs/dbraw/zinc/35/17/17/511351717.db2.gz DGFOZHSYQWCDSW-MLGOLLRUSA-N 0 0 356.260 2.843 20 10 FFCDRN C[C@@H](Sc1nncn1C)C(=O)N(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298665167 511367861 /nfs/dbraw/zinc/36/78/61/511367861.db2.gz QNXOEBQPKSXBOX-CYBMUJFWSA-N 0 0 359.499 2.553 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295406723 511394139 /nfs/dbraw/zinc/39/41/39/511394139.db2.gz WAAJRIMGIGBVRC-OAQYLSRUSA-N 0 0 370.424 2.975 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cc([C@H]3CCCOC3)nn2C)cc1 ZINC000280278915 511404976 /nfs/dbraw/zinc/40/49/76/511404976.db2.gz VNXOPSGSWUCTTA-HNNXBMFYSA-N 0 0 357.458 2.702 20 10 FFCDRN CN(CC1CCN(C(=O)c2cccc(O)c2O)CC1)C(=O)OC(C)(C)C ZINC000280368345 511439315 /nfs/dbraw/zinc/43/93/15/511439315.db2.gz CKFMWNLUXONFMZ-UHFFFAOYSA-N 0 0 364.442 2.817 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 ZINC000280403974 511453686 /nfs/dbraw/zinc/45/36/86/511453686.db2.gz AJOVYMXWWSRHEH-GHMZBOCLSA-N 0 0 371.393 2.570 20 10 FFCDRN O=C(C[C@@H]1CCOC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000363272017 511455448 /nfs/dbraw/zinc/45/54/48/511455448.db2.gz XOTJBSPATSZVLO-KBPBESRZSA-N 0 0 354.397 2.800 20 10 FFCDRN CNC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000280449612 511469878 /nfs/dbraw/zinc/46/98/78/511469878.db2.gz DPUXCIFCAPZIAA-LBPRGKRZSA-N 0 0 357.410 2.519 20 10 FFCDRN CSc1cc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)ccn1 ZINC000299032306 511490929 /nfs/dbraw/zinc/49/09/29/511490929.db2.gz BISLYYUNPINWLW-UHFFFAOYSA-N 0 0 357.479 2.912 20 10 FFCDRN CN(c1ccc(CN2C(=O)[C@H]3COCCN3C2=O)cc1)C1CCCCC1 ZINC000272416987 511493932 /nfs/dbraw/zinc/49/39/32/511493932.db2.gz LZBIJTWTIODEGX-GOSISDBHSA-N 0 0 357.454 2.619 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000272534771 511497652 /nfs/dbraw/zinc/49/76/52/511497652.db2.gz BCTAEICOEHKWJL-QGZVFWFLSA-N 0 0 372.513 2.684 20 10 FFCDRN CN1CCCc2cc(CNC(=O)c3cc(CN4CCCC4)on3)ccc21 ZINC000292202305 511503761 /nfs/dbraw/zinc/50/37/61/511503761.db2.gz CMBDMGRZEBCFGT-UHFFFAOYSA-N 0 0 354.454 2.583 20 10 FFCDRN COCCOCCN(Cc1ccccc1)C(=O)c1ccc(C)c(O)c1O ZINC000272762338 511506694 /nfs/dbraw/zinc/50/66/94/511506694.db2.gz QNVJBQLYKCMXEX-UHFFFAOYSA-N 0 0 359.422 2.712 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)c1ccccc1O ZINC000272873991 511510444 /nfs/dbraw/zinc/51/04/44/511510444.db2.gz PEZXPRKLNOMBNU-INIZCTEOSA-N 0 0 353.466 2.631 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCc1ccc(N2CCOC2=O)cc1 ZINC000272894647 511511263 /nfs/dbraw/zinc/51/12/63/511511263.db2.gz XRAKZBJJNDMJDS-UHFFFAOYSA-N 0 0 355.394 2.690 20 10 FFCDRN COc1ccc(OC)c(/C=C/C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000273157729 511519454 /nfs/dbraw/zinc/51/94/54/511519454.db2.gz JPPPEZJCJQRLEQ-NEXMIYJRSA-N 0 0 357.406 2.876 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccccc2Cn2cncn2)c1 ZINC000273438469 511526405 /nfs/dbraw/zinc/52/64/05/511526405.db2.gz 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REFULXCKMVQAAR-UHFFFAOYSA-N 0 0 373.497 2.845 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1cccc(-c2nn[nH]n2)c1C ZINC000822206108 607280971 /nfs/dbraw/zinc/28/09/71/607280971.db2.gz USRYLWPAQQGKEJ-UHFFFAOYSA-N 0 0 365.441 2.871 20 10 FFCDRN O=C([O-])C[N@H+](Cc1cc(Cl)ccc1O)C[C@@H](O)c1c(F)cccc1F ZINC000739794145 600315352 /nfs/dbraw/zinc/31/53/52/600315352.db2.gz URTXYMWYNAFSEQ-OAHLLOKOSA-N 0 0 371.767 2.944 20 10 FFCDRN O=C([O-])C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)ccc1O ZINC000739796498 600315647 /nfs/dbraw/zinc/31/56/47/600315647.db2.gz IQPMHJKKIIPASZ-UHFFFAOYSA-N 0 0 363.797 2.904 20 10 FFCDRN Cn1cc([C@@H]2C[N@H+](Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)cn1 ZINC000833043663 601342990 /nfs/dbraw/zinc/34/29/90/601342990.db2.gz DUZQKABBLCJICV-SFHVURJKSA-N 0 0 367.405 2.551 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)c1O ZINC000825946663 601418879 /nfs/dbraw/zinc/41/88/79/601418879.db2.gz JZUGYRAXVIMPCB-CQSZACIVSA-N 0 0 355.818 2.704 20 10 FFCDRN C[C@@H]([NH2+]CCCN(C)C(=O)[O-])c1ccc(N2CCOCC2)cc1Cl ZINC000825489963 604262673 /nfs/dbraw/zinc/26/26/73/604262673.db2.gz GHEKUKKDRLBZTM-CYBMUJFWSA-N 0 0 355.866 2.827 20 10 FFCDRN CCN(CCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)c(F)c1)C(=O)[O-] ZINC000827130274 604265837 /nfs/dbraw/zinc/26/58/37/604265837.db2.gz UXCPYBINAQKKEH-AWEZNQCLSA-N 0 0 353.438 2.703 20 10 FFCDRN COc1ccc(N(C)Cc2cc(-c3nn[nH]n3)ccc2OC)c(OC)c1 ZINC000826208854 607753846 /nfs/dbraw/zinc/75/38/46/607753846.db2.gz CMVDTWOABGNZSX-UHFFFAOYSA-N 0 0 355.398 2.529 20 10 FFCDRN COc1cc(O)c(C[N@@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)cc1OC ZINC000833888177 605500583 /nfs/dbraw/zinc/50/05/83/605500583.db2.gz WEVBYBXSYVCQEP-DZGCQCFKSA-N 0 0 364.442 2.764 20 10 FFCDRN Cc1ccc(C(=O)Nc2cc(-c3nn[nH]n3)ccc2OC(C)C)c(O)c1O ZINC000826282221 609211009 /nfs/dbraw/zinc/21/10/09/609211009.db2.gz DGFNKUCAHNOFKX-UHFFFAOYSA-N 0 0 369.381 2.626 20 10 FFCDRN CN(Cc1ccccc1O)Cc1ccc(-c2nn[nH]n2)cc1Br ZINC000825981061 609364053 /nfs/dbraw/zinc/36/40/53/609364053.db2.gz NNLQVHDITOSAHF-UHFFFAOYSA-N 0 0 374.242 2.967 20 10 FFCDRN O=C(NCCCNc1ccccn1)NCCCSc1nccs1 ZINC000152348885 728756684 /nfs/dbraw/zinc/75/66/84/728756684.db2.gz JUGSGDJUJLTQTP-UHFFFAOYSA-N 0 0 351.501 2.822 20 10 FFCDRN COc1cccc(CNC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1O ZINC000155674009 728834162 /nfs/dbraw/zinc/83/41/62/728834162.db2.gz RYOLSOYNSYDPRJ-UHFFFAOYSA-N 0 0 350.758 2.821 20 10 FFCDRN O=C(Cc1csc(-c2ccccn2)n1)NCCc1ccc(O)c(O)c1 ZINC000156639173 728855765 /nfs/dbraw/zinc/85/57/65/728855765.db2.gz DOZXVUBMVVYQIK-UHFFFAOYSA-N 0 0 355.419 2.518 20 10 FFCDRN O=C(COc1ccc(Cl)c2cccnc12)NCc1ccc(O)c(O)c1 ZINC000158978983 728898011 /nfs/dbraw/zinc/89/80/11/728898011.db2.gz GPQMKHXMVUSCMA-UHFFFAOYSA-N 0 0 358.781 2.995 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)Cc2c(F)cccc2F)cc1 ZINC000160197571 728918992 /nfs/dbraw/zinc/91/89/92/728918992.db2.gz DQUHTZPSEUUFHZ-UHFFFAOYSA-N 0 0 354.422 2.993 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCCCC(=O)OC(C)(C)C)c1 ZINC000745931072 735451978 /nfs/dbraw/zinc/45/19/78/735451978.db2.gz KFINBFXFOPXTKI-LBPRGKRZSA-N 0 0 352.431 2.883 20 10 FFCDRN CC(C)(C)OC(=O)N1CC(CC(=O)NCCCSc2nccs2)C1 ZINC000746021760 735458737 /nfs/dbraw/zinc/45/87/37/735458737.db2.gz UQRCYITWWIWERY-UHFFFAOYSA-N 0 0 371.528 2.999 20 10 FFCDRN CCN1C(=O)/C(=C/c2ccccc2O[C@H](C)C(=O)OC)SC1=S ZINC000899333690 735477067 /nfs/dbraw/zinc/47/70/67/735477067.db2.gz RSWZVCZIDOJITP-PEHNMLCRSA-N 0 0 351.449 2.848 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2sccc2C#N)cc1 ZINC000052222775 728075647 /nfs/dbraw/zinc/07/56/47/728075647.db2.gz AGODHVVJLSOPFR-UHFFFAOYSA-N 0 0 357.435 2.501 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000066702046 728176497 /nfs/dbraw/zinc/17/64/97/728176497.db2.gz RVCAQYGBIDQNGF-CQSZACIVSA-N 0 0 359.392 2.950 20 10 FFCDRN Cc1cc(C)nc(SCC(=O)NCCCSc2nccs2)n1 ZINC000074135894 728232160 /nfs/dbraw/zinc/23/21/60/728232160.db2.gz KCBYYKWKDFZCPQ-UHFFFAOYSA-N 0 0 354.526 2.941 20 10 FFCDRN CCOc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)cc1 ZINC000746705224 735506704 /nfs/dbraw/zinc/50/67/04/735506704.db2.gz JIFRLIBYOMINMQ-UHFFFAOYSA-N 0 0 360.479 2.946 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NC[C@](C)(O)c3ccsc3)ccc21 ZINC000077800574 728285608 /nfs/dbraw/zinc/28/56/08/728285608.db2.gz CXCZLFOWPVTWMR-IBGZPJMESA-N 0 0 359.495 2.837 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2ccc([S@](C)=O)cc2)cc1F ZINC000080104688 728322114 /nfs/dbraw/zinc/32/21/14/728322114.db2.gz BALFSTKLSFHFCT-RUZDIDTESA-N 0 0 363.458 2.629 20 10 FFCDRN O=C1NCCN(Cc2cc(Br)ccc2O)[C@H]1c1ccccc1 ZINC000092674794 728469982 /nfs/dbraw/zinc/46/99/82/728469982.db2.gz FYNNJDPAOLNULL-INIZCTEOSA-N 0 0 361.239 2.828 20 10 FFCDRN C[N@H+](Cc1cccc(Br)c1[O-])CC(C)(C)CN1CCOCC1 ZINC000093769656 728477744 /nfs/dbraw/zinc/47/77/44/728477744.db2.gz PVHZQBOMABJISV-UHFFFAOYSA-N 0 0 371.319 2.945 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)Cc3c(C)noc3Cl)CC2)cc1 ZINC000102382411 728490520 /nfs/dbraw/zinc/49/05/20/728490520.db2.gz ZZOCLNQEOKCWMJ-UHFFFAOYSA-N 0 0 363.845 2.973 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCCOC(C)(C)C)CC2)cc1 ZINC000108413999 728521253 /nfs/dbraw/zinc/52/12/53/728521253.db2.gz MMYNEZMSGLSMGP-UHFFFAOYSA-N 0 0 366.527 2.892 20 10 FFCDRN COC(=O)CN(CCOCC(F)(F)F)Cc1cc(Cl)ccc1O ZINC000109779567 728528811 /nfs/dbraw/zinc/52/88/11/728528811.db2.gz NHTCCJDUBMEOHY-UHFFFAOYSA-N 0 0 355.740 2.600 20 10 FFCDRN CCN(C(=O)c1ccc(-n2c(C)ccc2C)cc1)[C@@H](C)CS(C)(=O)=O ZINC000112613749 728547060 /nfs/dbraw/zinc/54/70/60/728547060.db2.gz DZKLWKPOZXGSRB-INIZCTEOSA-N 0 0 362.495 2.989 20 10 FFCDRN COc1ccc(O)c(CNC(=O)C(=O)c2ccc(Br)cc2)c1 ZINC000114542838 728561199 /nfs/dbraw/zinc/56/11/99/728561199.db2.gz CPIPRSMDYHPUEL-UHFFFAOYSA-N 0 0 364.195 2.662 20 10 FFCDRN Cc1ccc(C(=O)NCC(=O)NCCCSc2nccs2)cc1C ZINC000115159594 728564178 /nfs/dbraw/zinc/56/41/78/728564178.db2.gz XNUPBWHSHFXALU-UHFFFAOYSA-N 0 0 363.508 2.788 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C=O)[nH]1 ZINC000120998110 728618731 /nfs/dbraw/zinc/61/87/31/728618731.db2.gz BEIRBIUDYUNBJE-UHFFFAOYSA-N 0 0 351.200 2.958 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCS(=O)(=O)[C@@H](C)[C@H]2C)cc1 ZINC000121881262 728641034 /nfs/dbraw/zinc/64/10/34/728641034.db2.gz HZYPJENYLNELAY-CVEARBPZSA-N 0 0 360.479 2.742 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCO1 ZINC000123019159 728654191 /nfs/dbraw/zinc/65/41/91/728654191.db2.gz SUNONQCNNIRQSP-QZTJIDSGSA-N 0 0 363.527 2.997 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)c2cnc(-c3ncccn3)s2)cc1 ZINC000123972369 728665224 /nfs/dbraw/zinc/66/52/24/728665224.db2.gz KYZFEWVTFIQGMB-UHFFFAOYSA-N 0 0 353.451 2.938 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)CCS(C)(=O)=O)c(C)n1-c1ccc(F)cc1 ZINC000126533750 728704035 /nfs/dbraw/zinc/70/40/35/728704035.db2.gz KBTFCXQQHUTPKY-LBPRGKRZSA-N 0 0 366.458 2.786 20 10 FFCDRN COc1ccc(O)c(CNC(=O)NCCc2nc3c(s2)CCCC3)c1 ZINC000133592087 728727315 /nfs/dbraw/zinc/72/73/15/728727315.db2.gz OYZXIXDWPXYACW-UHFFFAOYSA-N 0 0 361.467 2.778 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000134613954 728731449 /nfs/dbraw/zinc/73/14/49/728731449.db2.gz DDLUJFQCPWMIHM-VIFPVBQESA-N 0 0 366.776 2.576 20 10 FFCDRN COC(=O)CC(C)(C)CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000136500736 728739675 /nfs/dbraw/zinc/73/96/75/728739675.db2.gz WMQQEFBDKJNGCJ-UHFFFAOYSA-N 0 0 364.511 2.835 20 10 FFCDRN O=C(NCCc1cscn1)NCc1ccc(N2CCSCC2)cc1 ZINC000137313750 728740275 /nfs/dbraw/zinc/74/02/75/728740275.db2.gz CXJBSNKPZKYRED-UHFFFAOYSA-N 0 0 362.524 2.738 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc(C#N)cc1F ZINC000151038951 728744081 /nfs/dbraw/zinc/74/40/81/728744081.db2.gz GVSDWNVZDVILQM-UHFFFAOYSA-N 0 0 361.442 2.974 20 10 FFCDRN COc1ccc(N(CCCN2C(=O)CNC2=O)Cc2cccs2)cc1 ZINC000170723809 728987097 /nfs/dbraw/zinc/98/70/97/728987097.db2.gz GACQELHVGOFVTF-UHFFFAOYSA-N 0 0 359.451 2.705 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)c1 ZINC000170900621 728991423 /nfs/dbraw/zinc/99/14/23/728991423.db2.gz HHMLHFPBZSSXIT-VXGBXAGGSA-N 0 0 360.376 2.852 20 10 FFCDRN CC(C)NC(=O)CSc1ccccc1C(=O)N1CCSC[C@H]1C ZINC000172519953 729027781 /nfs/dbraw/zinc/02/77/81/729027781.db2.gz BXZWKLAGFXTSOZ-CYBMUJFWSA-N 0 0 352.525 2.881 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 ZINC000751317838 735863873 /nfs/dbraw/zinc/86/38/73/735863873.db2.gz IAFDGWGCYKXWHV-NSHDSACASA-N 0 0 366.395 2.657 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCN(CCOC(C)C)CC2)c1O ZINC000177362387 729134759 /nfs/dbraw/zinc/13/47/59/729134759.db2.gz PGMLEODSWGZTFQ-UHFFFAOYSA-N 0 0 354.878 2.791 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H]1CC(=O)NCc1ccc(O)c(O)c1 ZINC000778914267 738420737 /nfs/dbraw/zinc/42/07/37/738420737.db2.gz GLKPNTONBCYEBH-CYBMUJFWSA-N 0 0 350.415 2.504 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000179945448 729198924 /nfs/dbraw/zinc/19/89/24/729198924.db2.gz XXUDNODNBMCWFE-UHFFFAOYSA-N 0 0 369.204 2.702 20 10 FFCDRN Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)c2ccc(F)cc2[O-])s1 ZINC000186141837 729361121 /nfs/dbraw/zinc/36/11/21/729361121.db2.gz IGHUBSRPOSDTLG-NSHDSACASA-N 0 0 358.460 2.530 20 10 FFCDRN C[C@H]1CCN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCS1 ZINC000192237028 729423032 /nfs/dbraw/zinc/42/30/32/729423032.db2.gz XEBBPKUYDZZNHC-AWEZNQCLSA-N 0 0 367.490 2.699 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N(CCO)CC(F)F)c2C)cc1 ZINC000194389105 729509478 /nfs/dbraw/zinc/50/94/78/729509478.db2.gz LCNQDECEJRCXMZ-UHFFFAOYSA-N 0 0 352.381 2.802 20 10 FFCDRN Cc1sc(Cl)nc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213825 730316317 /nfs/dbraw/zinc/31/63/17/730316317.db2.gz YPFUZFLIJYPLQF-UHFFFAOYSA-N 0 0 365.886 2.996 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@H]2CC2CCC2)c1 ZINC000856271787 730320294 /nfs/dbraw/zinc/32/02/94/730320294.db2.gz MPIJJYHMWUUBQT-HNNXBMFYSA-N 0 0 366.483 2.949 20 10 FFCDRN O=C(NC[C@H](OC1CCCC1)C(F)(F)F)c1c(F)ccc(O)c1O ZINC000857306424 730390404 /nfs/dbraw/zinc/39/04/04/730390404.db2.gz FGVXTLWUQYFFJK-NSHDSACASA-N 0 0 351.296 2.857 20 10 FFCDRN Cc1cc(CNC(=O)N[C@H](C)C[S@](C)=O)c(C)n1-c1cccc(C)c1 ZINC000858358525 730423776 /nfs/dbraw/zinc/42/37/76/730423776.db2.gz PZIVBHFSDABWNT-PWECECGKSA-N 0 0 361.511 2.969 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(S(C)(=O)=O)c(C)o2)cc1 ZINC000858604551 730429783 /nfs/dbraw/zinc/42/97/83/730429783.db2.gz HVAMZLQITMLBNT-UHFFFAOYSA-N 0 0 364.467 2.768 20 10 FFCDRN CCO[C@@H](CS(=O)(=O)N(CC)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000858885426 730435834 /nfs/dbraw/zinc/43/58/34/730435834.db2.gz OHEDOCILIPQICH-SFHVURJKSA-N 0 0 354.516 2.719 20 10 FFCDRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000779547973 738470125 /nfs/dbraw/zinc/47/01/25/738470125.db2.gz ZIMPAPPUOZAPOS-WAFBPQNNSA-N 0 0 350.415 2.531 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)CCc2c(F)cccc2F)cc1F ZINC000858925509 730436797 /nfs/dbraw/zinc/43/67/97/730436797.db2.gz HMWNNEAIEDRLTM-UHFFFAOYSA-N 0 0 372.412 2.832 20 10 FFCDRN CC1(c2ncc(C(=O)NCCCSc3nccs3)s2)OCCO1 ZINC000859352502 730451481 /nfs/dbraw/zinc/45/14/81/730451481.db2.gz UEZLIXDJZPCMIC-UHFFFAOYSA-N 0 0 371.509 2.731 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCC[C@]12CCCO2 ZINC000925099006 738478361 /nfs/dbraw/zinc/47/83/61/738478361.db2.gz OYHWUVUWJPRWFK-QAPCUYQASA-N 0 0 364.829 2.912 20 10 FFCDRN Cn1nc(Br)cc1/C=C1/SC(N2CCCCC2)=NC1=O ZINC000779797804 738485112 /nfs/dbraw/zinc/48/51/12/738485112.db2.gz JUMXGADZDUNKSZ-JXMROGBWSA-N 0 0 355.261 2.639 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1ocnc1C(F)F ZINC000862040021 730663503 /nfs/dbraw/zinc/66/35/03/730663503.db2.gz XQTAPDGJHAZNKC-UHFFFAOYSA-N 0 0 354.309 2.523 20 10 FFCDRN Cc1cc(C(=O)NCC(=O)N2CCCO2)c(C)n1-c1cccc(Cl)c1 ZINC000862083204 730665151 /nfs/dbraw/zinc/66/51/51/730665151.db2.gz BWQODNHLJUAIID-UHFFFAOYSA-N 0 0 361.829 2.641 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)[C@H]3C[C@]3(C)Br)C2)cc1 ZINC000862159063 730672475 /nfs/dbraw/zinc/67/24/75/730672475.db2.gz NZRFSSNLTVVUKX-PEYYIBSZSA-N 0 0 353.260 2.564 20 10 FFCDRN COC(=O)[C@H](C[C@@H]1CCCOC1)NCc1cc(Cl)cc(OC)c1O ZINC000862516235 730706138 /nfs/dbraw/zinc/70/61/38/730706138.db2.gz NLADCSHOXFKGKL-FZMZJTMJSA-N 0 0 357.834 2.502 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)CCC(=O)Nc2nnc(C(C)C)s2)c1 ZINC000862758107 730723711 /nfs/dbraw/zinc/72/37/11/730723711.db2.gz OSFSCRPNEALTKN-UHFFFAOYSA-N 0 0 362.455 2.711 20 10 FFCDRN C[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2O)CN1C(=O)OC(C)(C)C ZINC000863024332 730743495 /nfs/dbraw/zinc/74/34/95/730743495.db2.gz NGXCTCARLHFLBV-VXGBXAGGSA-N 0 0 350.415 2.616 20 10 FFCDRN Cc1cc(CNC(=O)[C@@H]2CCCCS2(=O)=O)c(C)n1-c1ccccc1 ZINC000863165947 730753534 /nfs/dbraw/zinc/75/35/34/730753534.db2.gz QKAAKBDPUKWKPN-SFHVURJKSA-N 0 0 360.479 2.678 20 10 FFCDRN COC1(C[C@H]([NH2+]Cc2c(O)cccc2Br)C(=O)[O-])CCC1 ZINC000864517493 730855931 /nfs/dbraw/zinc/85/59/31/730855931.db2.gz WOGYUBKQWOPIDK-LBPRGKRZSA-N 0 0 358.232 2.657 20 10 FFCDRN CCOC(C)(C)C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000864931469 730893166 /nfs/dbraw/zinc/89/31/66/730893166.db2.gz MKJOCYUSMMZTHX-OKILXGFUSA-N 0 0 352.450 2.871 20 10 FFCDRN Oc1c(Br)cccc1CNc1c2c(nc3ncnn31)CCC2 ZINC000865730233 730991267 /nfs/dbraw/zinc/99/12/67/730991267.db2.gz PIOYBGOWXVNODD-UHFFFAOYSA-N 0 0 360.215 2.693 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1(OC)CCSC1 ZINC000925353355 738498521 /nfs/dbraw/zinc/49/85/21/738498521.db2.gz WAROZWOOWFILQF-GOSISDBHSA-N 0 0 351.516 2.806 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000865780896 730996820 /nfs/dbraw/zinc/99/68/20/730996820.db2.gz SFCAAICCNJISOK-ZDUSSCGKSA-N 0 0 356.806 2.629 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CC3(CO2)CCOCC3)c1[O-] ZINC000865780895 730996960 /nfs/dbraw/zinc/99/69/60/730996960.db2.gz SFCAAICCNJISOK-CYBMUJFWSA-N 0 0 356.806 2.629 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3nc(C)cs3)CC2)c(OC)c1 ZINC000866127800 731033294 /nfs/dbraw/zinc/03/32/94/731033294.db2.gz LONKTPFAELNXIW-UHFFFAOYSA-N 0 0 362.455 2.823 20 10 FFCDRN Cc1conc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000866138487 731033880 /nfs/dbraw/zinc/03/38/80/731033880.db2.gz LDXIBKSNQUCSIW-LBPRGKRZSA-N 0 0 351.353 2.983 20 10 FFCDRN C[C@@H]([NH2+]C[C@@]12COC(=O)N1CCOC2)c1ccc(Cl)c(Cl)c1[O-] ZINC000866522414 731070215 /nfs/dbraw/zinc/07/02/15/731070215.db2.gz VSHUBIWKJRYRSN-RFAUZJTJSA-N 0 0 361.225 2.571 20 10 FFCDRN CC(C)C1(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000866605031 731079573 /nfs/dbraw/zinc/07/95/73/731079573.db2.gz KHRKZHMKIGBXAQ-HNNXBMFYSA-N 0 0 352.500 2.692 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@H]1CCCOC1 ZINC000779979701 738503911 /nfs/dbraw/zinc/50/39/11/738503911.db2.gz DLLCCJKZWPDRDP-RDJZCZTQSA-N 0 0 363.527 2.854 20 10 FFCDRN Cc1cc(-c2nc(CCS(C)(=O)=O)no2)c(C)n1-c1ccc(F)cc1 ZINC000867125481 731147028 /nfs/dbraw/zinc/14/70/28/731147028.db2.gz YNAGXYOIAZWUCS-UHFFFAOYSA-N 0 0 363.414 2.870 20 10 FFCDRN CO[C@H]1CC[C@H](C)N(C(=O)NCc2ccc(N3CCSCC3)cc2)C1 ZINC000868117429 731260752 /nfs/dbraw/zinc/26/07/52/731260752.db2.gz UFZBZZXAMCXGBN-YJBOKZPZSA-N 0 0 363.527 2.949 20 10 FFCDRN CCO[C@H]1COCC[C@H]1CC(=O)NCc1cc(Br)ccc1O ZINC000868307131 731279877 /nfs/dbraw/zinc/27/98/77/731279877.db2.gz PJJRDZRNHXIRBB-NHYWBVRUSA-N 0 0 372.259 2.603 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3cccnc3Cl)C2)cc1 ZINC000868956635 731348601 /nfs/dbraw/zinc/34/86/01/731348601.db2.gz YGIKYGJSFNMPRK-CQSZACIVSA-N 0 0 359.857 2.929 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[C@@H]1CCCS1 ZINC000868977370 731351507 /nfs/dbraw/zinc/35/15/07/731351507.db2.gz AGQRWQFHZWUDPC-SFHVURJKSA-N 0 0 363.527 2.950 20 10 FFCDRN COCc1sccc1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869295200 731384233 /nfs/dbraw/zinc/38/42/33/731384233.db2.gz NPVUHLUAVJQLGN-UHFFFAOYSA-N 0 0 360.479 2.786 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3csc(C=O)c3)CC2)c(OC)c1 ZINC000870165234 731477901 /nfs/dbraw/zinc/47/79/01/731477901.db2.gz QPDCFPJHRUIJIR-UHFFFAOYSA-N 0 0 360.435 2.540 20 10 FFCDRN CC(C)(C)OC(=O)N[C@H](CC(F)F)C(=O)N1Cc2cccc(O)c2C1 ZINC000871202975 731605652 /nfs/dbraw/zinc/60/56/52/731605652.db2.gz IJQCZPVPIVNMLG-GFCCVEGCSA-N 0 0 356.369 2.783 20 10 FFCDRN C[C@@H](CC(=O)N1Cc2cccc(O)c2C1)n1cc(Br)cn1 ZINC000871206184 731605984 /nfs/dbraw/zinc/60/59/84/731605984.db2.gz VNWCBZYHYHOIKJ-JTQLQIEISA-N 0 0 350.216 2.845 20 10 FFCDRN C[C@H](NS(=O)(=O)N=[S@@](C)(=O)C(C)(C)C)c1ccc(N(C)C)cc1 ZINC000872477083 731776590 /nfs/dbraw/zinc/77/65/90/731776590.db2.gz CVTGKMMBUDORLR-YTEVENLXSA-N 0 0 361.533 2.544 20 10 FFCDRN [NH3+]C[C@@H]1CN(Cc2cccc(Br)c2[O-])C[C@@H]1C(F)(F)F ZINC000873228283 731893911 /nfs/dbraw/zinc/89/39/11/731893911.db2.gz RKWBZNDLMYCUQI-ZJUUUORDSA-N 0 0 353.182 2.724 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N2CCN(Cc3cccs3)CC2)cc1 ZINC000873824234 731969196 /nfs/dbraw/zinc/96/91/96/731969196.db2.gz CRBZAMHXMBNXNM-UHFFFAOYSA-N 0 0 357.439 2.869 20 10 FFCDRN Cc1cc(C2(C(=O)NCc3ccc(N4CCSCC4)cc3)CC2)on1 ZINC000874082179 732007347 /nfs/dbraw/zinc/00/73/47/732007347.db2.gz QWCAVKICDNJZRG-UHFFFAOYSA-N 0 0 357.479 2.884 20 10 FFCDRN Cc1scc(CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC000875141071 732130967 /nfs/dbraw/zinc/13/09/67/732130967.db2.gz KPECKKSERMBQJN-UHFFFAOYSA-N 0 0 363.458 2.503 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]C/C=C/CO ZINC000826938021 743473692 /nfs/dbraw/zinc/47/36/92/743473692.db2.gz XLOSXMCLUJETGX-OWOJBTEDSA-N 0 0 351.038 2.555 20 10 FFCDRN [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000877530782 732381372 /nfs/dbraw/zinc/38/13/72/732381372.db2.gz XMQKXUGULAYWHD-ZDUSSCGKSA-N 0 0 357.241 2.759 20 10 FFCDRN CC(=O)NCCN(Cc1cc(Cl)ccc1O)[C@H](C)C(=O)OC(C)(C)C ZINC000781528446 738634688 /nfs/dbraw/zinc/63/46/88/738634688.db2.gz ANAMWVCSKARACW-GFCCVEGCSA-N 0 0 370.877 2.714 20 10 FFCDRN C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1cccc(Br)c1O ZINC000879774202 732765855 /nfs/dbraw/zinc/76/58/55/732765855.db2.gz FKIJHHBIKAMKEC-XPTSAGLGSA-N 0 0 364.243 2.860 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C)C(=O)NCc2ccco2)c1 ZINC000781630494 738642536 /nfs/dbraw/zinc/64/25/36/738642536.db2.gz VAUBBUZYXNPNJR-LLVKDONJSA-N 0 0 367.243 2.851 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2cn(C)nc2Br)cc1 ZINC000880040651 732827333 /nfs/dbraw/zinc/82/73/33/732827333.db2.gz YUIQVOOGMLKAKT-UHFFFAOYSA-N 0 0 352.236 2.570 20 10 FFCDRN Cc1cc(Br)c(O)c(CN(C)[C@H](C)[C@H](C)S(C)(=O)=O)c1 ZINC000781907063 738670866 /nfs/dbraw/zinc/67/08/66/738670866.db2.gz CUDYAWFRZJHRDZ-MNOVXSKESA-N 0 0 364.305 2.717 20 10 FFCDRN Cc1ccsc1-c1cn(CC(=O)NCc2ccc(N(C)C)cc2)nn1 ZINC000881094851 733011119 /nfs/dbraw/zinc/01/11/19/733011119.db2.gz VDWQLMMEFXSXLK-UHFFFAOYSA-N 0 0 355.467 2.697 20 10 FFCDRN C[C@H](NC(=O)Nc1nn(C)cc1Cl)c1ccc(N2CCOCC2)cc1 ZINC000881184545 733023565 /nfs/dbraw/zinc/02/35/65/733023565.db2.gz SABGNUPAVUTQNP-LBPRGKRZSA-N 0 0 363.849 2.793 20 10 FFCDRN COC(=O)CN(Cc1cc(C)cc(Br)c1O)C1CCOCC1 ZINC000781909098 738670753 /nfs/dbraw/zinc/67/07/53/738670753.db2.gz PQISAIAUXRICOQ-UHFFFAOYSA-N 0 0 372.259 2.617 20 10 FFCDRN COc1cccc(CNS(=O)(=O)CC[C@H]2CCc3ccccc32)c1O ZINC000881917968 733136075 /nfs/dbraw/zinc/13/60/75/733136075.db2.gz YCFCANICWHQWGX-OAHLLOKOSA-N 0 0 361.463 2.940 20 10 FFCDRN C[C@@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)c(F)cc1[O-] ZINC000927147851 738696752 /nfs/dbraw/zinc/69/67/52/738696752.db2.gz TYFDXLDWQHYSSI-RKDXNWHRSA-N 0 0 369.238 2.630 20 10 FFCDRN CO[C@@H](CS(=O)(=O)Nc1ccc(O)c(C(C)C)c1)C1CCOCC1 ZINC000882799837 733296802 /nfs/dbraw/zinc/29/68/02/733296802.db2.gz QJGGIOHEJCEXFD-KRWDZBQOSA-N 0 0 357.472 2.699 20 10 FFCDRN CCc1nncn1CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883024394 733322567 /nfs/dbraw/zinc/32/25/67/733322567.db2.gz YDYGHNKMPSEZOC-UHFFFAOYSA-N 0 0 359.655 2.752 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H](CO)C1CCOCC1 ZINC000883085974 733330105 /nfs/dbraw/zinc/33/01/05/733330105.db2.gz HYBAZIJTMZBHHQ-CYBMUJFWSA-N 0 0 364.667 2.685 20 10 FFCDRN CC(C)[C@@H]([NH2+]Cc1cc(Br)cc(F)c1[O-])c1nncn1C ZINC000883116846 733337295 /nfs/dbraw/zinc/33/72/95/733337295.db2.gz HUNOXFBZVUTYCI-GFCCVEGCSA-N 0 0 357.227 2.909 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000883146441 733342312 /nfs/dbraw/zinc/34/23/12/733342312.db2.gz NDKJNXQUYDEYSQ-RNCFNFMXSA-N 0 0 364.667 2.685 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)C[C@H]2CCCC(C)(C)O2)c1 ZINC000885025186 733612853 /nfs/dbraw/zinc/61/28/53/733612853.db2.gz IEDRNOUVWQTOSP-GXTWGEPZSA-N 0 0 357.472 2.729 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)c1c([O-])cccc1F ZINC000886510160 733799148 /nfs/dbraw/zinc/79/91/48/733799148.db2.gz WKBRVJIYBMDRPH-GFCCVEGCSA-N 0 0 352.431 2.632 20 10 FFCDRN CO[C@@H](C)CCC(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000782739717 738753052 /nfs/dbraw/zinc/75/30/52/738753052.db2.gz RQZFHOSVKADWOW-XJKSGUPXSA-N 0 0 354.878 2.941 20 10 FFCDRN CC[C@H]([NH2+]Cc1nnc2c(=O)[nH]ccn12)c1ccc(Cl)c(Cl)c1[O-] ZINC000886704262 733820177 /nfs/dbraw/zinc/82/01/77/733820177.db2.gz AATQAAGTYHOQHT-JTQLQIEISA-N 0 0 368.224 2.671 20 10 FFCDRN COc1ccc(O)c([C@H](C)Nc2sc(S(C)(=O)=O)cc2[N+](=O)[O-])c1 ZINC000782951136 738767562 /nfs/dbraw/zinc/76/75/62/738767562.db2.gz UUQWKEBJBXKJRQ-QMMMGPOBSA-N 0 0 372.424 2.947 20 10 FFCDRN CSc1nnc(CNC(=O)NCCCSc2nccs2)s1 ZINC000782976287 738769787 /nfs/dbraw/zinc/76/97/87/738769787.db2.gz HRCFKSJXUSQBGP-UHFFFAOYSA-N 0 0 361.543 2.698 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOC[C@@H]1C[C@@H]1CCCO1 ZINC000887854030 733984572 /nfs/dbraw/zinc/98/45/72/733984572.db2.gz TWEAOFQVSOPFJT-STQMWFEESA-N 0 0 363.435 2.723 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)NCCCSc3nccs3)O2)CO1 ZINC000888565549 734072588 /nfs/dbraw/zinc/07/25/88/734072588.db2.gz NJJVZEPXXJTHEU-IOASZLSFSA-N 0 0 371.528 2.651 20 10 FFCDRN C[C@@H]1CO[C@H](C(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)C1 ZINC000888857905 734106605 /nfs/dbraw/zinc/10/66/05/734106605.db2.gz JLUWRHCMUHRJJI-LRDDRELGSA-N 0 0 354.397 2.798 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Nc3cc(SC)ncn3)CC2)cc1 ZINC000888957979 734124515 /nfs/dbraw/zinc/12/45/15/734124515.db2.gz HKNMSQKCCRHNAP-UHFFFAOYSA-N 0 0 359.455 2.561 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000890761068 734337069 /nfs/dbraw/zinc/33/70/69/734337069.db2.gz JVFPEJJIEUHWET-QWRGUYRKSA-N 0 0 367.751 2.646 20 10 FFCDRN COC[C@H](CC[NH2+]Cc1cc(Cl)cc(Br)c1[O-])OC ZINC000708158182 734362617 /nfs/dbraw/zinc/36/26/17/734362617.db2.gz PPYBUMCNGBSGPY-NSHDSACASA-N 0 0 352.656 2.949 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@H]1CCCN2CCSC[C@H]12 ZINC000720426009 734379193 /nfs/dbraw/zinc/37/91/93/734379193.db2.gz VSODKSLELBYYOR-UONOGXRCSA-N 0 0 357.317 2.824 20 10 FFCDRN O=C(COC(=O)c1cccc(Br)c1O)c1ccc(O)c(O)c1 ZINC000783530077 738812209 /nfs/dbraw/zinc/81/22/09/738812209.db2.gz KYDYYLFQGNPLBI-UHFFFAOYSA-N 0 0 367.151 2.606 20 10 FFCDRN COc1ccc(N2CCC(NS(=O)(=O)Cc3ccccc3)CC2)cc1 ZINC000726601241 734436459 /nfs/dbraw/zinc/43/64/59/734436459.db2.gz LMTWNSIGRDYAPT-UHFFFAOYSA-N 0 0 360.479 2.784 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(S(C)(=O)=O)ccc2C)c1 ZINC000728981163 734552977 /nfs/dbraw/zinc/55/29/77/734552977.db2.gz UVWOZMVPCVPEID-GFCCVEGCSA-N 0 0 363.435 2.604 20 10 FFCDRN Cc1ncccc1/C=C1/SC(=S)N(c2ccc(C(N)=O)cc2)C1=O ZINC000728982491 734552981 /nfs/dbraw/zinc/55/29/81/734552981.db2.gz CIUNRRBYPCXVGK-NTEUORMPSA-N 0 0 355.444 2.895 20 10 FFCDRN O=C(C[NH2+]Cc1cccc(Br)c1[O-])N1CCc2ccccc21 ZINC000729684913 734590493 /nfs/dbraw/zinc/59/04/93/734590493.db2.gz KQTZAPYJWDLSQB-UHFFFAOYSA-N 0 0 361.239 2.834 20 10 FFCDRN C[C@@H](NC(=O)NCc1cccc(Cl)c1O)c1nnc2n1CCCCC2 ZINC000892809918 734607231 /nfs/dbraw/zinc/60/72/31/734607231.db2.gz QSAQUUUQKQLPLP-LLVKDONJSA-N 0 0 363.849 2.924 20 10 FFCDRN O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(C(=O)C2=CC(=O)CS2)C1 ZINC000731870437 734701970 /nfs/dbraw/zinc/70/19/70/734701970.db2.gz HJDVGRHAQYQRJF-JTQLQIEISA-N 0 0 365.842 2.993 20 10 FFCDRN O=C(NCCCSc1nccs1)N[C@@H](CO)c1cc(F)ccc1F ZINC000893644234 734731632 /nfs/dbraw/zinc/73/16/32/734731632.db2.gz CXJRMDMWICDGQM-ZDUSSCGKSA-N 0 0 373.450 2.936 20 10 FFCDRN Cc1ccc(NC(=O)NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)c(C)c1 ZINC000732354957 734737256 /nfs/dbraw/zinc/73/72/56/734737256.db2.gz XQHXSWOMFNANEU-LLVKDONJSA-N 0 0 362.407 2.964 20 10 FFCDRN 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[O-]c1c(Br)cccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000769410298 737525749 /nfs/dbraw/zinc/52/57/49/737525749.db2.gz GQEWOTJYXBGZLO-ZDUSSCGKSA-N 0 0 356.260 2.973 20 10 FFCDRN C[C@@H]1[C@@H](C)[S@@](=O)CCN1Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000769464993 737532345 /nfs/dbraw/zinc/53/23/45/737532345.db2.gz BXFOKHYBVWJCII-XGZNKIABSA-N 0 0 365.499 2.926 20 10 FFCDRN CC(C)(C)OC(=O)[C@H]1CN(Cc2cc(Br)ccc2O)CCO1 ZINC000769467598 737532950 /nfs/dbraw/zinc/53/29/50/737532950.db2.gz YBBBTBOQGUQNBZ-CQSZACIVSA-N 0 0 372.259 2.697 20 10 FFCDRN C[C@H]1CN(Cc2ccc(N3CCOCC3)c(F)c2)C[C@H](C(F)(F)F)O1 ZINC000769494978 737534931 /nfs/dbraw/zinc/53/49/31/737534931.db2.gz DKGGHSOMVCUMPM-BLLLJJGKSA-N 0 0 362.367 2.814 20 10 FFCDRN COc1cc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cc1C ZINC000769695339 737554755 /nfs/dbraw/zinc/55/47/55/737554755.db2.gz DOXBNUGXMJCDDY-UHFFFAOYSA-N 0 0 364.423 2.641 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1cccc(OCC(F)(F)F)c1 ZINC000915987525 737668934 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COCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)cc1 ZINC000776749099 738229206 /nfs/dbraw/zinc/22/92/06/738229206.db2.gz XOWTUFZJNYHAQQ-UHFFFAOYSA-N 0 0 357.815 2.872 20 10 FFCDRN CSC1(C(=O)NCc2cc(NC(=O)C3(SC)CC3)ccc2O)CC1 ZINC000923120199 738243450 /nfs/dbraw/zinc/24/34/50/738243450.db2.gz NLIJOIHCMJUADM-UHFFFAOYSA-N 0 0 366.508 2.738 20 10 FFCDRN COc1cccc(CNC(=O)c2cnn(-c3cccc(Cl)c3)n2)c1O ZINC000777417879 738288024 /nfs/dbraw/zinc/28/80/24/738288024.db2.gz CVELXNAGALMPEF-UHFFFAOYSA-N 0 0 358.785 2.565 20 10 FFCDRN COc1c(F)cc(S(=O)(=O)Nc2ccc(O)cc2C)cc1[N+](=O)[O-] ZINC000777629088 738307494 /nfs/dbraw/zinc/30/74/94/738307494.db2.gz BBNLYVUBENYJMW-UHFFFAOYSA-N 0 0 356.331 2.557 20 10 FFCDRN Cc1cc(C(=O)OC[C@@H]2CCS(=O)(=O)C2)c(C)n1-c1ccc(F)cc1 ZINC000778349452 738375120 /nfs/dbraw/zinc/37/51/20/738375120.db2.gz WWSZKIXXSBRCML-AWEZNQCLSA-N 0 0 365.426 2.825 20 10 FFCDRN O=C(NCc1c(O)cccc1F)[C@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000928710842 738898245 /nfs/dbraw/zinc/89/82/45/738898245.db2.gz 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COc1ccc(S(=O)(=O)Nc2ccc(O)cc2SC)cc1[N+](=O)[O-] ZINC000792703350 739695939 /nfs/dbraw/zinc/69/59/39/739695939.db2.gz VUWGGZIXBSEMRJ-UHFFFAOYSA-N 0 0 370.408 2.832 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)C[C@@H]3CCCOC3)cc2)CC1 ZINC000792755523 739703425 /nfs/dbraw/zinc/70/34/25/739703425.db2.gz AOIPWYZAJIJBQW-GOSISDBHSA-N 0 0 366.527 2.769 20 10 FFCDRN COC(=O)CN(CCC(C)(C)C(=O)OC)Cc1cc(Cl)ccc1O ZINC000792821208 739710180 /nfs/dbraw/zinc/71/01/80/739710180.db2.gz ZTLJPCJRQRWIGG-UHFFFAOYSA-N 0 0 357.834 2.610 20 10 FFCDRN Cc1cc(C(=O)CN2CC[C@@H](O)[C@@H](F)C2)c(C)n1-c1ccc(Cl)cn1 ZINC000934568384 739807209 /nfs/dbraw/zinc/80/72/09/739807209.db2.gz VMHSZIVLOWPKOL-JKSUJKDBSA-N 0 0 365.836 2.730 20 10 FFCDRN C[C@H](Cc1ccsc1)NC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000793793947 739814594 /nfs/dbraw/zinc/81/45/94/739814594.db2.gz VUAIBLRTZGXCDG-KGLIPLIRSA-N 0 0 359.495 2.739 20 10 FFCDRN Cn1nnc(NC(=O)NCc2c(O)ccc3c2CCCC3)c1C(F)F ZINC000934815488 739850049 /nfs/dbraw/zinc/85/00/49/739850049.db2.gz 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CN1CCCc2cc(CNC(=O)Cc3ccc([S@](C)=O)cc3)ccc21 ZINC000797846346 740280336 /nfs/dbraw/zinc/28/03/36/740280336.db2.gz XEPISTYRBOCTQE-VWLOTQADSA-N 0 0 356.491 2.665 20 10 FFCDRN C[C@@H](CO)NC(=O)c1ccc(NCc2cc(Cl)cc(F)c2O)cc1 ZINC000798083942 740302616 /nfs/dbraw/zinc/30/26/16/740302616.db2.gz LPLCYRLRKGTGPH-JTQLQIEISA-N 0 0 352.793 2.907 20 10 FFCDRN C[C@H]([NH2+]CC1([S@](C)=O)CC1)c1cc(Br)c(F)cc1[O-] ZINC000799727765 740445997 /nfs/dbraw/zinc/44/59/97/740445997.db2.gz YFJWJKJXJPRDHP-RLBGWGEZSA-N 0 0 350.253 2.856 20 10 FFCDRN CC(=O)N[C@@H](C)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000800048868 740478285 /nfs/dbraw/zinc/47/82/85/740478285.db2.gz CIGKXWLRVDCKCZ-STQMWFEESA-N 0 0 351.878 2.717 20 10 FFCDRN COCCn1cc(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])cn1 ZINC000800496284 740528466 /nfs/dbraw/zinc/52/84/66/740528466.db2.gz UEUPRJFLLBRETJ-JTQLQIEISA-N 0 0 372.238 2.988 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCC(=O)N3)cc2Cl)C1 ZINC000800572158 740534713 /nfs/dbraw/zinc/53/47/13/740534713.db2.gz SPRUUXSPIDGWJV-CZUORRHYSA-N 0 0 363.889 2.861 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)[C@H]3C[C@@H]3C(F)F)cc2F)C[C@@H](C)O1 ZINC000800848328 740556088 /nfs/dbraw/zinc/55/60/88/740556088.db2.gz RTYYLTZZZUUXTE-RFHZTLPTSA-N 0 0 356.388 2.957 20 10 FFCDRN Cc1nc(C(=O)N[C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)co1 ZINC000801625980 740637713 /nfs/dbraw/zinc/63/77/13/740637713.db2.gz FMZSVECXZPOMPZ-LBPRGKRZSA-N 0 0 351.353 2.983 20 10 FFCDRN CCC(CC)(CCO)NC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000801994050 740669713 /nfs/dbraw/zinc/66/97/13/740669713.db2.gz WCAWJTXZYGLMPU-UHFFFAOYSA-N 0 0 365.543 2.980 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)NCCOC[C@@H]1CCOC1 ZINC000802141818 740678412 /nfs/dbraw/zinc/67/84/12/740678412.db2.gz SUFWEEIUHUPNEO-MRXNPFEDSA-N 0 0 350.459 2.757 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1c1nc2c(s1)CCC2 ZINC000804216732 740854073 /nfs/dbraw/zinc/85/40/73/740854073.db2.gz YEWVUUHSWPNBAR-UHFFFAOYSA-N 0 0 363.826 2.960 20 10 FFCDRN Nc1c(C(=O)NCc2cc(Br)ccc2O)cccc1[N+](=O)[O-] ZINC000804732845 740900182 /nfs/dbraw/zinc/90/01/82/740900182.db2.gz DLHDTBMJTRKYIO-UHFFFAOYSA-N 0 0 366.171 2.575 20 10 FFCDRN COCc1nc(C)c(C(=O)NCc2cc(Br)ccc2O)s1 ZINC000804736613 740901073 /nfs/dbraw/zinc/90/10/73/740901073.db2.gz VRFSVBFXJGYAPN-UHFFFAOYSA-N 0 0 371.256 2.996 20 10 FFCDRN COC(=O)N[C@@H](CC(C)C)C(=O)NCc1cc(Br)ccc1O ZINC000804738191 740901339 /nfs/dbraw/zinc/90/13/39/740901339.db2.gz GNMFJSSUVAZDQG-LBPRGKRZSA-N 0 0 373.247 2.542 20 10 FFCDRN Cc1csc(CNC(=O)NCc2cc(Br)ccc2O)n1 ZINC000804883716 740913072 /nfs/dbraw/zinc/91/30/72/740913072.db2.gz HIYWHQMOIMNFQD-UHFFFAOYSA-N 0 0 356.245 2.919 20 10 FFCDRN Cc1nc(Cl)ccc1S(=O)(=O)NCCCSc1nccs1 ZINC000805001586 740924563 /nfs/dbraw/zinc/92/45/63/740924563.db2.gz OULJLSBAWPFEEZ-UHFFFAOYSA-N 0 0 363.917 2.961 20 10 FFCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000805136394 740944089 /nfs/dbraw/zinc/94/40/89/740944089.db2.gz DQGBRLITBNJNKO-ZDUSSCGKSA-N 0 0 358.269 2.983 20 10 FFCDRN CC1(C)[C@H](NC(=O)NCc2cc(Br)ccc2O)[C@H]2CCO[C@@H]21 ZINC000805147804 740946186 /nfs/dbraw/zinc/94/61/86/740946186.db2.gz MNRBKZZAVNCNKY-BNOWGMLFSA-N 0 0 369.259 2.767 20 10 FFCDRN C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000805199310 740949232 /nfs/dbraw/zinc/94/92/32/740949232.db2.gz RJRWUAMWVAEQME-LKFCYVNXSA-N 0 0 358.269 2.981 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000806182968 741045842 /nfs/dbraw/zinc/04/58/42/741045842.db2.gz ILUOUDHAAOSCRW-HIFRSBDPSA-N 0 0 364.442 2.645 20 10 FFCDRN O=C(NCCCSc1nccs1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000806277402 741049441 /nfs/dbraw/zinc/04/94/41/741049441.db2.gz AZMUUBMUPPLNQG-BFHYXJOUSA-N 0 0 367.540 2.827 20 10 FFCDRN C[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)[C@@H]2CCCC[C@@H]21 ZINC000806278976 741049794 /nfs/dbraw/zinc/04/97/94/741049794.db2.gz AVPZYMATGURBCX-MGPQQGTHSA-N 0 0 367.540 2.779 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCC[C@H](SC)C1 ZINC000807206083 741120112 /nfs/dbraw/zinc/12/01/12/741120112.db2.gz SHMYINBYSPWRJH-CVEARBPZSA-N 0 0 364.511 2.921 20 10 FFCDRN CS[C@H](CNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1)C(C)(C)C ZINC000807673379 741148093 /nfs/dbraw/zinc/14/80/93/741148093.db2.gz RZTKIRVUCKFLFL-XJKSGUPXSA-N 0 0 365.543 2.824 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CC[C@H](SC)C1 ZINC000807764114 741156062 /nfs/dbraw/zinc/15/60/62/741156062.db2.gz IHUDEKHSTZDTDE-CABCVRRESA-N 0 0 350.484 2.531 20 10 FFCDRN CC(=O)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000808012038 741177933 /nfs/dbraw/zinc/17/79/33/741177933.db2.gz IOXMLDJNFDZUMX-UHFFFAOYSA-N 0 0 356.378 2.775 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cnc(-c2ncccn2)s1 ZINC000808094258 741185589 /nfs/dbraw/zinc/18/55/89/741185589.db2.gz HRJNEXJEIQEBBT-UHFFFAOYSA-N 0 0 361.423 2.721 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000808486577 741229322 /nfs/dbraw/zinc/22/93/22/741229322.db2.gz UPSXDWXYBODWPZ-UHFFFAOYSA-N 0 0 354.387 2.916 20 10 FFCDRN CCN(CC)c1ccc(CN2CCN(S(=O)(=O)CC)C[C@H]2C)cc1F ZINC000809725507 741337392 /nfs/dbraw/zinc/33/73/92/741337392.db2.gz VGCCQDPFABFKED-OAHLLOKOSA-N 0 0 371.522 2.528 20 10 FFCDRN O=C([C@@H]1CC[N@@H+](Cc2cccc(Br)c2[O-])C1)N1CCCC1 ZINC000809771947 741342090 /nfs/dbraw/zinc/34/20/90/741342090.db2.gz QLIHFLPXGJPLRA-CYBMUJFWSA-N 0 0 353.260 2.599 20 10 FFCDRN COc1c([O-])c(C[NH2+]C[C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000809779705 741342784 /nfs/dbraw/zinc/34/27/84/741342784.db2.gz WTCDOYYGQMCBCA-ZDUSSCGKSA-N 0 0 366.801 2.828 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)CCOCC(F)(F)F)cc1 ZINC000809809341 741346108 /nfs/dbraw/zinc/34/61/08/741346108.db2.gz MSBZZJVGGGWZDZ-UHFFFAOYSA-N 0 0 368.421 2.531 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)c1cc(Cl)ncc1Br ZINC000810628606 741434306 /nfs/dbraw/zinc/43/43/06/741434306.db2.gz MHVVIBVZMWGFTI-UHFFFAOYSA-N 0 0 371.618 2.881 20 10 FFCDRN NC(=O)c1ccccc1NCC(=O)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000811528783 741534545 /nfs/dbraw/zinc/53/45/45/741534545.db2.gz 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741964428 /nfs/dbraw/zinc/96/44/28/741964428.db2.gz URJWAHCUIFAXMG-HNNXBMFYSA-N 0 0 361.829 2.581 20 10 FFCDRN Cn1cc(Br)c(C(=O)NCc2c(O)ccc3c2CCCC3)n1 ZINC000815835879 741964539 /nfs/dbraw/zinc/96/45/39/741964539.db2.gz IPRBPRZKDZMHPL-UHFFFAOYSA-N 0 0 364.243 2.697 20 10 FFCDRN C[N@H+](CCN1C(=O)c2ccccc2C1=O)Cc1cc(Cl)c(F)cc1[O-] ZINC000816518639 742037388 /nfs/dbraw/zinc/03/73/88/742037388.db2.gz IMAXVQKBZPVGFA-UHFFFAOYSA-N 0 0 362.788 2.913 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H](C2CC2)[C@@]2(CO)CCCO2)c1 ZINC000816667520 742052252 /nfs/dbraw/zinc/05/22/52/742052252.db2.gz PDEZWNFZQXYEAY-SJORKVTESA-N 0 0 370.287 2.873 20 10 FFCDRN COC(=O)C1(CS(=O)(=O)Oc2ccc3c(c2)c(C)c(C)n3C)CCC1 ZINC000817151931 742097036 /nfs/dbraw/zinc/09/70/36/742097036.db2.gz HHNYBTOYYQPHCI-UHFFFAOYSA-N 0 0 365.451 2.847 20 10 FFCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3cn(C)c(Cl)n3)cc12 ZINC000817152003 742097520 /nfs/dbraw/zinc/09/75/20/742097520.db2.gz JRZCCPZBJMRMGF-UHFFFAOYSA-N 0 0 353.831 2.950 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H](C)C1(OC)CCOCC1 ZINC000817810441 742215453 /nfs/dbraw/zinc/21/54/53/742215453.db2.gz YDZIOAJFJSGYSJ-OAHLLOKOSA-N 0 0 350.459 2.898 20 10 FFCDRN C[C@H]([NH2+]CCCCS(C)(=O)=O)c1cc(Br)c(F)cc1[O-] ZINC000818351599 742266053 /nfs/dbraw/zinc/26/60/53/742266053.db2.gz VCILQDBDJDBNLR-VIFPVBQESA-N 0 0 368.268 2.769 20 10 FFCDRN O=C1CN(Cc2ccccc2O)C(=O)N1C1CCC(OC(F)F)CC1 ZINC000819169613 742347051 /nfs/dbraw/zinc/34/70/51/742347051.db2.gz NIIGCBIVOIWUAN-UHFFFAOYSA-N 0 0 354.353 2.707 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1scnc1C1CC1 ZINC000819696827 742424686 /nfs/dbraw/zinc/42/46/86/742424686.db2.gz FLGWHHYUWHSLTI-UHFFFAOYSA-N 0 0 360.435 2.932 20 10 FFCDRN CCC(CC)CS(=O)(=O)NC[C@@H]1CCN(c2ccc(OC)cc2)C1 ZINC000819887390 742439501 /nfs/dbraw/zinc/43/95/01/742439501.db2.gz JGQVLAKNNSQUDK-INIZCTEOSA-N 0 0 354.516 2.877 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1coc(CO)c1 ZINC000820886960 742563897 /nfs/dbraw/zinc/56/38/97/742563897.db2.gz XANYHFZNEUXJSG-UHFFFAOYSA-N 0 0 354.200 2.902 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000821414031 742623406 /nfs/dbraw/zinc/62/34/06/742623406.db2.gz WEQABLZEUOBJMG-JHJVBQTASA-N 0 0 350.469 2.958 20 10 FFCDRN Cc1nn(C)c(NC(=O)N(C)Cc2ccccc2O)c1Br ZINC000821502410 742636041 /nfs/dbraw/zinc/63/60/41/742636041.db2.gz HKCHMYNKPOXFJW-UHFFFAOYSA-N 0 0 353.220 2.861 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000821807152 742665090 /nfs/dbraw/zinc/66/50/90/742665090.db2.gz NUPLAUYUTYVYQT-YGRLFVJLSA-N 0 0 357.332 2.535 20 10 FFCDRN Cc1sccc1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1 ZINC000822660714 742765731 /nfs/dbraw/zinc/76/57/31/742765731.db2.gz WPZYPMIPOSYSQW-HNNXBMFYSA-N 0 0 357.479 2.688 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)Cc1cc(F)ncc1F ZINC000823444103 742912074 /nfs/dbraw/zinc/91/20/74/742912074.db2.gz PUJQQXYOLXZHMN-UHFFFAOYSA-N 0 0 356.756 2.894 20 10 FFCDRN C[C@@H]1CSCCN(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1 ZINC000823538304 742933926 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Oc1cc(Br)ccc1CNc1ccc(C2(O)COC2)cc1 ZINC000825940345 743345820 /nfs/dbraw/zinc/34/58/20/743345820.db2.gz UKMXRARCDXKZSS-UHFFFAOYSA-N 0 0 350.212 2.985 20 10 FFCDRN O=C1CN(Cc2ccc(Br)cc2O)CN1CCC(F)(F)F ZINC000826048199 743361248 /nfs/dbraw/zinc/36/12/48/743361248.db2.gz FXXWGHYKYWDPNW-UHFFFAOYSA-N 0 0 367.165 2.709 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)c1 ZINC000827544860 743598352 /nfs/dbraw/zinc/59/83/52/743598352.db2.gz MOKMYPHRKJCKCA-CYBMUJFWSA-N 0 0 370.291 2.651 20 10 FFCDRN C[C@@H](NC(=O)[C@@H](F)C1CN(C(=O)OC(C)(C)C)C1)c1ccccc1O ZINC000827946416 745005748 /nfs/dbraw/zinc/00/57/48/745005748.db2.gz HIAIJEHUYCAOIE-ABAIWWIYSA-N 0 0 352.406 2.774 20 10 FFCDRN C[C@@H](NC(=O)c1c(Br)nc2n1CCC2)c1ccccc1O ZINC000827951989 745006997 /nfs/dbraw/zinc/00/69/97/745006997.db2.gz BPJBVWOSLGPQST-SECBINFHSA-N 0 0 350.216 2.788 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3cc(C)cs3)CC2)cc1 ZINC000829656707 745239804 /nfs/dbraw/zinc/23/98/04/745239804.db2.gz 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Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(CC1CC1)C1CCC1 ZINC001118054856 1022044279 /nfs/dbraw/zinc/04/42/79/1022044279.db2.gz XKALQUOYBRCMEM-MRXNPFEDSA-N 0 0 371.525 2.899 20 10 FFCDRN COc1ccccc1[C@H](O)CNC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000041443430 1022075789 /nfs/dbraw/zinc/07/57/89/1022075789.db2.gz DTQFANUKEDDLTJ-LJQANCHMSA-N 0 0 369.465 2.828 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)Cc3nc(C)c(C)s3)C2)cc1 ZINC001118169052 1022102095 /nfs/dbraw/zinc/10/20/95/1022102095.db2.gz SGOBDAUHBRLNPG-OAHLLOKOSA-N 0 0 359.495 2.954 20 10 FFCDRN CCOc1ccccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000041925271 1022122330 /nfs/dbraw/zinc/12/23/30/1022122330.db2.gz DQTCMHKVNKTQAC-UHFFFAOYSA-N 0 0 367.449 2.940 20 10 FFCDRN CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(C)c(O)c1O ZINC000750623550 1022259154 /nfs/dbraw/zinc/25/91/54/1022259154.db2.gz XRCOOFAFOYPLAH-LBPRGKRZSA-N 0 0 357.362 2.793 20 10 FFCDRN Cc1cc(C(=O)COC(=O)[C@H](O)C(C)(C)C)c(C)n1-c1ccc(F)cn1 ZINC000829183742 1033039623 /nfs/dbraw/zinc/03/96/23/1033039623.db2.gz OGBPHEXCWRMKJR-KRWDZBQOSA-N 0 0 362.401 2.761 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CN[C@H](c2ccccc2)C(F)(F)F)c1 ZINC000155961707 1022309951 /nfs/dbraw/zinc/30/99/51/1022309951.db2.gz AUCQWXYSRHDUDD-QGZVFWFLSA-N 0 0 368.355 2.910 20 10 FFCDRN COc1cc(OC)c(C[C@@H](C)NC(=O)C2=CC(=O)CS2)c(OC)c1 ZINC001118705786 1022359342 /nfs/dbraw/zinc/35/93/42/1022359342.db2.gz XFKRTZUUDCCVBL-SNVBAGLBSA-N 0 0 351.424 2.841 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(C(=O)c2ccc(N=NC(N)=O)cc2)[C@H]1C ZINC001020349621 1022621293 /nfs/dbraw/zinc/62/12/93/1022621293.db2.gz AQRRKYHFSPFLIE-OJDYBEQGSA-N 0 0 371.441 2.614 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCC[C@H](C(N)=O)C2)cc1F ZINC000159482815 1022697711 /nfs/dbraw/zinc/69/77/11/1022697711.db2.gz YIPGHUMIIKMSQO-GJZGRUSLSA-N 0 0 364.465 2.515 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)[C@@]34C[C@@H]3CCCC4)cc2)CC1 ZINC001119449433 1022777134 /nfs/dbraw/zinc/77/71/34/1022777134.db2.gz WBLFPNGMUOSRIY-UWJYYQICSA-N 0 0 355.482 2.585 20 10 FFCDRN C[C@H]1CO[C@H](C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)C1 ZINC001119505777 1022821176 /nfs/dbraw/zinc/82/11/76/1022821176.db2.gz VTOBZEXPZWWHPO-WBMJQRKESA-N 0 0 372.387 2.583 20 10 FFCDRN COC(=O)c1cc(-c2csc(NC(=O)c3ccc(C)c(O)c3O)n2)c[nH]1 ZINC000751533772 1022857810 /nfs/dbraw/zinc/85/78/10/1022857810.db2.gz RSLAWLSBNUOCLD-UHFFFAOYSA-N 0 0 373.390 2.897 20 10 FFCDRN CCCOc1ccccc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000049153422 1022875043 /nfs/dbraw/zinc/87/50/43/1022875043.db2.gz PSJJVHWJAKDFNO-UHFFFAOYSA-N 0 0 355.438 2.796 20 10 FFCDRN COCc1noc([C@@H](C)OC(=O)c2csc(Cc3ccc(N)cc3)n2)n1 ZINC000751935732 1022981877 /nfs/dbraw/zinc/98/18/77/1022981877.db2.gz CNZTWHBYUFUDGC-SNVBAGLBSA-N 0 0 374.422 2.764 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC[C@@H]3CCC(C)(C)O3)CC2)cc1 ZINC000188691879 1023121400 /nfs/dbraw/zinc/12/14/00/1023121400.db2.gz KMLUGVWNMTWHAF-SFHVURJKSA-N 0 0 361.486 2.875 20 10 FFCDRN O=C(Nc1ccc(C(=O)Nc2cccc3nonc32)cc1)C1=S=CC=C1 ZINC000752952220 1023233863 /nfs/dbraw/zinc/23/38/63/1023233863.db2.gz PIUGSTLTSDCAGD-UHFFFAOYSA-N 0 0 364.386 2.691 20 10 FFCDRN C[C@@H]1CN(c2ccnc(C(=O)N(C)Cc3ccccc3O)c2)C[C@@H](C)O1 ZINC000189282194 1023245784 /nfs/dbraw/zinc/24/57/84/1023245784.db2.gz HZDFZTYKKUGJEG-HUUCEWRRSA-N 0 0 355.438 2.673 20 10 FFCDRN COCCOC1CN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC000753095102 1023267503 /nfs/dbraw/zinc/26/75/03/1023267503.db2.gz OQWNBCSWWKGUMI-UHFFFAOYSA-N 0 0 371.481 2.693 20 10 FFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC34CCC(CC3)C4)cc2)C1 ZINC000753120201 1023273519 /nfs/dbraw/zinc/27/35/19/1023273519.db2.gz ATDHZKGGJXXJCY-FIWNRLKKSA-N 0 0 370.497 2.520 20 10 FFCDRN CSc1cccc(-n2c(C)cc(C(=O)CN3C(=O)CN(C)C3=O)c2C)c1 ZINC000753177685 1023282935 /nfs/dbraw/zinc/28/29/35/1023282935.db2.gz CVWTYVMFLIGONY-UHFFFAOYSA-N 0 0 371.462 2.893 20 10 FFCDRN O=[N+]([O-])c1ccc(N2CCN(c3ccc(O[C@H]4C[C@H](O)C4)cc3)CC2)cc1 ZINC001218361276 1033124331 /nfs/dbraw/zinc/12/43/31/1033124331.db2.gz DHECIPFNUGEXEJ-KESTWPANSA-N 0 0 369.421 2.824 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/nfs/dbraw/zinc/42/99/76/1023429976.db2.gz DDTBVDSTHBJDOG-UHFFFAOYSA-N 0 0 374.460 2.632 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NC3(CC(N)=O)CCC3)c2C)cc1 ZINC000754414404 1023467210 /nfs/dbraw/zinc/46/72/10/1023467210.db2.gz GIQRJCZAOCNPBJ-UHFFFAOYSA-N 0 0 355.438 2.631 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)nc2)cc1 ZINC001120793638 1023472905 /nfs/dbraw/zinc/47/29/05/1023472905.db2.gz QRRDRJSYLNOGGZ-UHFFFAOYSA-N 0 0 354.454 2.700 20 10 FFCDRN Cc1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O[C@H]3CC[C@H](C)[NH2+]C3)c1C2=O ZINC001218398774 1033138045 /nfs/dbraw/zinc/13/80/45/1033138045.db2.gz NFTYXNVXSPSERQ-AAEUAGOBSA-N 0 0 367.401 2.701 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCSCC2)n1C[C@H]1CCCCO1 ZINC001123149412 1023657554 /nfs/dbraw/zinc/65/75/54/1023657554.db2.gz SJQYFCZUYGAMFL-GFCCVEGCSA-N 0 0 366.512 2.835 20 10 FFCDRN Cc1cc(C(=O)N2CCN3CCOC[C@@H]3C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000756246444 1023687681 /nfs/dbraw/zinc/68/76/81/1023687681.db2.gz JBTMZMBWMIFMDT-FQEVSTJZSA-N 0 0 367.493 2.868 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)COc2c(C)cccc2C)c1 ZINC000756461977 1023714130 /nfs/dbraw/zinc/71/41/30/1023714130.db2.gz XATZSYZVHDABMW-DOTOQJQBSA-N 0 0 373.449 2.886 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)N2CCC(OC)CC2)c1 ZINC000756556437 1023728449 /nfs/dbraw/zinc/72/84/49/1023728449.db2.gz WSOXYEZIYXVEJD-CQSZACIVSA-N 0 0 364.486 2.719 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCN(Cc2ccccc2)CC1 ZINC001121365350 1023732407 /nfs/dbraw/zinc/73/24/07/1023732407.db2.gz GIPLZLSRXGILJF-UHFFFAOYSA-N 0 0 355.467 2.571 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c1 ZINC000756659919 1023741592 /nfs/dbraw/zinc/74/15/92/1023741592.db2.gz QTNCIEPDBNIRDU-CJNGLKHVSA-N 0 0 360.454 2.621 20 10 FFCDRN CN(CC(=O)N1c2ccccc2NC(=O)C1(C)C)c1ccc2c(c1)OCO2 ZINC000756654595 1023741734 /nfs/dbraw/zinc/74/17/34/1023741734.db2.gz IZKSDXTUDZVROE-UHFFFAOYSA-N 0 0 367.405 2.615 20 10 FFCDRN Cc1cccc(C)c1OCCNC(=O)CN(C)c1ccc2c(c1)OCO2 ZINC000756655486 1023741996 /nfs/dbraw/zinc/74/19/96/1023741996.db2.gz WSURMMMPOWANPR-UHFFFAOYSA-N 0 0 356.422 2.664 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Cc2ccn(-c3ccccc3)n2)cc1F ZINC000756921404 1023769962 /nfs/dbraw/zinc/76/99/62/1023769962.db2.gz VYOKECIXCDESPN-UHFFFAOYSA-N 0 0 352.413 2.936 20 10 FFCDRN CCN(Cc1ccc2c(c1)OCO2)c1cc2c(cc1[N+](=O)[O-])OCC(=O)N2 ZINC000757509366 1023825648 /nfs/dbraw/zinc/82/56/48/1023825648.db2.gz QEAZYBZKSXNRMM-UHFFFAOYSA-N 0 0 371.349 2.681 20 10 FFCDRN O=C1[C@@H]2C[N@H+](Cc3c([O-])cccc3F)C[C@H]2CN1Cc1cccc(F)c1 ZINC001137832870 1033166793 /nfs/dbraw/zinc/16/67/93/1033166793.db2.gz KQOPNPXXMHODLJ-GOEBONIOSA-N 0 0 358.388 2.761 20 10 FFCDRN CCNc1cccnc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001123633530 1023913982 /nfs/dbraw/zinc/91/39/82/1023913982.db2.gz SOVRLZLVSHIULT-UHFFFAOYSA-N 0 0 372.444 2.544 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC[C@H](c2ccnn2C)C1 ZINC001121671529 1023917739 /nfs/dbraw/zinc/91/77/39/1023917739.db2.gz ZEXDCIULKWEIAC-LBPRGKRZSA-N 0 0 358.471 2.850 20 10 FFCDRN CN(C)c1ccc(NC(=O)C(=O)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000078728412 1023932995 /nfs/dbraw/zinc/93/29/95/1023932995.db2.gz QBTHCFRRKRAVAI-UHFFFAOYSA-N 0 0 366.465 2.608 20 10 FFCDRN CCOC(=O)[C@@H](CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000779481247 1023934879 /nfs/dbraw/zinc/93/48/79/1023934879.db2.gz HAEPGHGPBTZSBI-QXLXQBSBSA-N 0 0 369.417 2.649 20 10 FFCDRN CCNC(=O)N1CCc2ccc(NC(=O)/C=C\c3ccc(O)c(O)c3)cc21 ZINC000779486366 1023939006 /nfs/dbraw/zinc/93/90/06/1023939006.db2.gz WEWATUOAKZRGQS-YWEYNIOJSA-N 0 0 367.405 2.842 20 10 FFCDRN C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(N2CCOC2=O)cc1 ZINC000779503161 1023943617 /nfs/dbraw/zinc/94/36/17/1023943617.db2.gz JEQRPBSEIYMFGC-FOWFJEMPSA-N 0 0 368.389 2.945 20 10 FFCDRN C[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1ccc(N2CCOC2=O)cc1 ZINC000779503164 1023943950 /nfs/dbraw/zinc/94/39/50/1023943950.db2.gz JEQRPBSEIYMFGC-ZCMXANCESA-N 0 0 368.389 2.945 20 10 FFCDRN CC(C)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1nnc2ccccn21 ZINC000779510168 1023946728 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FFCDRN COCCOc1cccc(N2CC[NH+](Cc3c([O-])cccc3F)CC2)c1 ZINC001137839539 1033183401 /nfs/dbraw/zinc/18/34/01/1033183401.db2.gz CCYOJWTUWUGUBT-UHFFFAOYSA-N 0 0 360.429 2.879 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC(O)(C(F)F)CC2)cc1F ZINC000779570939 1024189312 /nfs/dbraw/zinc/18/93/12/1024189312.db2.gz YCKHGIGHRSONFB-UHFFFAOYSA-N 0 0 373.419 2.974 20 10 FFCDRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000079318956 1024238172 /nfs/dbraw/zinc/23/81/72/1024238172.db2.gz NDBNOQKAWHLZGB-FQEVSTJZSA-N 0 0 365.477 2.868 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CC(=O)N[C@H]3CCCC[C@@H]32)cc1 ZINC000758776971 1024296659 /nfs/dbraw/zinc/29/66/59/1024296659.db2.gz PESDWEIMAWPKTN-OALUTQOASA-N 0 0 351.450 2.977 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccc2c(c1)CCO2 ZINC000079672778 1024328856 /nfs/dbraw/zinc/32/88/56/1024328856.db2.gz PTUQUUIUKSDWBU-UHFFFAOYSA-N 0 0 371.412 2.919 20 10 FFCDRN COc1cccc(C)c1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000192959028 1024329847 /nfs/dbraw/zinc/32/98/47/1024329847.db2.gz ADSPLPGWIYTXFT-UHFFFAOYSA-N 0 0 367.449 2.859 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc2n(n1)CCCC2=O ZINC001124549438 1024343813 /nfs/dbraw/zinc/34/38/13/1024343813.db2.gz IOSQMIKZGIGXMQ-UHFFFAOYSA-N 0 0 352.438 2.732 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001124873420 1024387703 /nfs/dbraw/zinc/38/77/03/1024387703.db2.gz WVSBEIPPJXNQFE-CVEARBPZSA-N 0 0 374.403 2.836 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cncc2ccccc21 ZINC000759015720 1024427344 /nfs/dbraw/zinc/42/73/44/1024427344.db2.gz WOMZNZPKLHGRMT-UHFFFAOYSA-N 0 0 362.433 2.864 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000080054076 1024467077 /nfs/dbraw/zinc/46/70/77/1024467077.db2.gz PGLNRIZWBHDHBG-UHFFFAOYSA-N 0 0 369.465 2.566 20 10 FFCDRN Cc1cccnc1NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000193414583 1024505295 /nfs/dbraw/zinc/50/52/95/1024505295.db2.gz IPPVYFRRLGJMSL-UHFFFAOYSA-N 0 0 354.454 2.920 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)Cn2cc(C#N)c(=O)c3ccccc32)cc1 ZINC000193491313 1024544550 /nfs/dbraw/zinc/54/45/50/1024544550.db2.gz NVQZWYUSGLPDRJ-UHFFFAOYSA-N 0 0 374.444 2.598 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)O[C@@H]1CCCN(Cc2ccccc2)C1=O ZINC000759577528 1024672527 /nfs/dbraw/zinc/67/25/27/1024672527.db2.gz AOQRSKUELGKMAL-ZMOVQZPESA-N 0 0 367.401 2.845 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)cc1 ZINC000193778750 1024676409 /nfs/dbraw/zinc/67/64/09/1024676409.db2.gz GXTPUZSDKAKRSA-UHFFFAOYSA-N 0 0 368.481 2.854 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)OCC(=O)NC1(c2ccccc2)CCC1 ZINC000759596331 1024679471 /nfs/dbraw/zinc/67/94/71/1024679471.db2.gz UPVPZTYGZVPHHV-CSKARUKUSA-N 0 0 367.401 2.850 20 10 FFCDRN C[C@H](C[C@H]1CCOC1)NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000759731092 1024750010 /nfs/dbraw/zinc/75/00/10/1024750010.db2.gz KWOLMDCMLMCXAP-IXDOHACOSA-N 0 0 361.486 2.699 20 10 FFCDRN CCc1cccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC000081037623 1024750297 /nfs/dbraw/zinc/75/02/97/1024750297.db2.gz BTFYCMIKGIUQMI-UHFFFAOYSA-N 0 0 374.506 2.906 20 10 FFCDRN COCCN(CC(=O)N1CCc2ccccc21)c1ccc(OC)c(OC)c1 ZINC000081155900 1024767203 /nfs/dbraw/zinc/76/72/03/1024767203.db2.gz TZWSQWPTROFLFJ-UHFFFAOYSA-N 0 0 370.449 2.746 20 10 FFCDRN COc1ccc(N2CCN(C[C@H](O)c3ccc(F)cc3F)CC2)cc1F ZINC000084866430 1025152631 /nfs/dbraw/zinc/15/26/31/1025152631.db2.gz YEPBOAGEOYQWAX-SFHVURJKSA-N 0 0 366.383 2.968 20 10 FFCDRN CC(C)C[C@@H](C(=O)NCc1ccc(N(C)C)c(F)c1)N1CCCCC1=O ZINC000087209984 1025321738 /nfs/dbraw/zinc/32/17/38/1025321738.db2.gz AYIHKMQGPSEXJM-SFHVURJKSA-N 0 0 363.477 2.935 20 10 FFCDRN CCOC(=O)c1cnn2c1[nH]c(CN1C[C@H](C)[C@H]1c1ccccc1)cc2=O ZINC000245440086 1025430065 /nfs/dbraw/zinc/43/00/65/1025430065.db2.gz UDRNKSUGAVHDNP-UGSOOPFHSA-N 0 0 366.421 2.805 20 10 FFCDRN CN1CCOc2cc(CN3CCN(C(=O)OC(C)(C)C)[C@H]4C[C@H]43)ccc21 ZINC001141142382 1025511066 /nfs/dbraw/zinc/51/10/66/1025511066.db2.gz NRBLSCYEDYGUHK-SJORKVTESA-N 0 0 359.470 2.709 20 10 FFCDRN C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc2c(c1)OCCN2C ZINC001141142745 1025512619 /nfs/dbraw/zinc/51/26/19/1025512619.db2.gz ZNJMNJWQXFDOQI-HNNXBMFYSA-N 0 0 361.486 2.956 20 10 FFCDRN CN1CCOc2cc(CN3CCN(C(=O)C4CCCCC4)CC3)ccc21 ZINC001141145542 1025521643 /nfs/dbraw/zinc/52/16/43/1025521643.db2.gz VTTKHKSLMYSZMX-UHFFFAOYSA-N 0 0 357.498 2.740 20 10 FFCDRN Cc1nc2cc(NC(=O)c3ccc(C)c(O)c3O)ccc2n1[C@H](C)CO ZINC000837054151 1025536982 /nfs/dbraw/zinc/53/69/82/1025536982.db2.gz JLGINSAYHVKOOP-LLVKDONJSA-N 0 0 355.394 2.870 20 10 FFCDRN C[C@H]1CCN(C(=O)c2cccc(O)c2O)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000837236287 1025673565 /nfs/dbraw/zinc/67/35/65/1025673565.db2.gz IBZFFVULPXHQRR-STQMWFEESA-N 0 0 364.442 2.721 20 10 FFCDRN CCOc1ccc(-c2noc(CCC(=O)NCc3ccc(N)cc3)n2)cc1 ZINC000837302928 1025710988 /nfs/dbraw/zinc/71/09/88/1025710988.db2.gz NAWZYFJSVKZOHI-UHFFFAOYSA-N 0 0 366.421 2.967 20 10 FFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3[nH]ccc3C3CC3)cc2)C1 ZINC000837358706 1025746302 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CCC1(NC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)CCCC1 ZINC000837767525 1026009890 /nfs/dbraw/zinc/00/98/90/1026009890.db2.gz FBLSGFRFEIEBGX-KRWDZBQOSA-N 0 0 372.513 2.910 20 10 FFCDRN Cc1cc(C(=O)N2CCC[C@@](O)(CO)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000837777732 1026015588 /nfs/dbraw/zinc/01/55/88/1026015588.db2.gz FDUNKAKESNUMQA-NRFANRHFSA-N 0 0 356.466 2.670 20 10 FFCDRN C[C@H]1CN(CC(=O)NCc2ccc(N(C)C)cc2)Cc2ccccc2O1 ZINC000795413896 1026070742 /nfs/dbraw/zinc/07/07/42/1026070742.db2.gz ACTOXETVRXNNMQ-INIZCTEOSA-N 0 0 353.466 2.652 20 10 FFCDRN CC(C)(C)C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(O)c(O)c2)cn1 ZINC000837879297 1026079323 /nfs/dbraw/zinc/07/93/23/1026079323.db2.gz JIZTVEPVLFPNPB-UHFFFAOYSA-N 0 0 372.377 2.517 20 10 FFCDRN CC(C)(C)OC(=O)NCC[C@H](NC(=O)NCc1ccccc1O)C(F)F ZINC000838060350 1026187977 /nfs/dbraw/zinc/18/79/77/1026187977.db2.gz HWVNLZRZXALMPO-LBPRGKRZSA-N 0 0 373.400 2.740 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCc3cc(C)ccn3)CC2)cc1 ZINC000838191004 1026250752 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CCCCN(Cc1ccccc1O)C(=O)C(=O)N1C[C@@H](C)O[C@H](C2CC2)C1 ZINC000839340114 1026651431 /nfs/dbraw/zinc/65/14/31/1026651431.db2.gz WMKHUUWEPIGBLG-BEFAXECRSA-N 0 0 374.481 2.547 20 10 FFCDRN CCOc1ccc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)c(F)c1 ZINC000839483410 1026696039 /nfs/dbraw/zinc/69/60/39/1026696039.db2.gz DWYJROSATAXRIW-UHFFFAOYSA-N 0 0 373.428 2.854 20 10 FFCDRN CCOc1ccc(N(C)CC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 ZINC000839493943 1026700719 /nfs/dbraw/zinc/70/07/19/1026700719.db2.gz IRRMCWAHPXCRNQ-UHFFFAOYSA-N 0 0 373.478 2.809 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N(c2ccc(N)cc2)C2CCCCC2)nnc1C ZINC000839524380 1026714721 /nfs/dbraw/zinc/71/47/21/1026714721.db2.gz DZXUTCADFAKSCW-UHFFFAOYSA-N 0 0 367.453 2.980 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)Nc1ccccc1F ZINC000839633630 1026767081 /nfs/dbraw/zinc/76/70/81/1026767081.db2.gz KJQGHFHUKOXNSF-AWEZNQCLSA-N 0 0 357.429 2.886 20 10 FFCDRN COc1ccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)cc1 ZINC000839633024 1026767972 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CC[C@H](NC(=O)NC1CCN(c2ccc(OC)cc2)CC1)[C@H](O)C(C)C ZINC000840282643 1027032511 /nfs/dbraw/zinc/03/25/11/1027032511.db2.gz CKABFFIMTKCFSA-RBUKOAKNSA-N 0 0 363.502 2.759 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@@H](CO)c1ccc(F)cc1 ZINC000840304359 1027039450 /nfs/dbraw/zinc/03/94/50/1027039450.db2.gz KNBZQDLRFDUEQM-SFHVURJKSA-N 0 0 369.440 2.777 20 10 FFCDRN COC(=O)c1cccc2c1CCN(c1cc(OC)c(OC)cc1[N+](=O)[O-])C2 ZINC000840317757 1027046283 /nfs/dbraw/zinc/04/62/83/1027046283.db2.gz OBVYRSSDORPGGX-UHFFFAOYSA-N 0 0 372.377 2.961 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCc1noc(C2CC2)n1 ZINC000840334190 1027051520 /nfs/dbraw/zinc/05/15/20/1027051520.db2.gz CUDFQIHIKYDSGT-ZDUSSCGKSA-N 0 0 357.458 2.752 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)N[C@@H](C)Cc1cnn(C)c1 ZINC000840386422 1027066760 /nfs/dbraw/zinc/06/67/60/1027066760.db2.gz FBRLNPSWZIQTHH-HOTGVXAUSA-N 0 0 357.502 2.656 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N=S2(=O)CCOCC2)ccc1C ZINC001158669238 1027091410 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Nc1ccc(CC(=O)N2CCc3c(Br)ccc(N)c3C2)cc1 ZINC001160846169 1027897079 /nfs/dbraw/zinc/89/70/79/1027897079.db2.gz MEOATOABJSUPJA-UHFFFAOYSA-N 0 0 360.255 2.741 20 10 FFCDRN N=c1ccc(N=Nc2ccccc2)c(N)n1C(=O)c1ccc2nc[nH]c2n1 ZINC001153782902 1027993425 /nfs/dbraw/zinc/99/34/25/1027993425.db2.gz VLJWBPOLJJECGX-VFAOWXJVSA-N 0 0 358.365 2.925 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1cccc(NC(=O)c2cccnc2)c1 ZINC001153792960 1027997608 /nfs/dbraw/zinc/99/76/08/1027997608.db2.gz WJEKXRZSJXIMPW-UHFFFAOYSA-N 0 0 363.373 2.675 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)c1cnc2c(cnn2Cc2ccccc2)c1 ZINC001153879355 1028042389 /nfs/dbraw/zinc/04/23/89/1028042389.db2.gz LPECASXMKFUGNG-UHFFFAOYSA-N 0 0 374.400 2.821 20 10 FFCDRN COc1ccc2cc(C(=O)NCC(=O)c3ccc(O)c(O)c3)sc2c1 ZINC001153939539 1028079156 /nfs/dbraw/zinc/07/91/56/1028079156.db2.gz WRVUCICUYSCWTP-UHFFFAOYSA-N 0 0 357.387 2.934 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)NC2CN(C(C)C)C2)cc1 ZINC001154588668 1028366080 /nfs/dbraw/zinc/36/60/80/1028366080.db2.gz FMUCJUXSDKGKJD-UHFFFAOYSA-N 0 0 353.466 2.658 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])c(C(N)=O)c1 ZINC001162062102 1028419015 /nfs/dbraw/zinc/41/90/15/1028419015.db2.gz LCEZWNPZMHMDOD-UHFFFAOYSA-N 0 0 354.410 2.930 20 10 FFCDRN COc1cccc(-c2nc(C)c(C(=O)NCc3ccc(O)cc3O)[nH]2)c1 ZINC001162277974 1028489270 /nfs/dbraw/zinc/48/92/70/1028489270.db2.gz FRLKCFKKXJHOKE-UHFFFAOYSA-N 0 0 353.378 2.735 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccccc1C(=O)N[C@@H](CO)c1cccnc1 ZINC001162285687 1028491145 /nfs/dbraw/zinc/49/11/45/1028491145.db2.gz NUEIVPFXKLWQBM-IBGZPJMESA-N 0 0 363.417 2.765 20 10 FFCDRN CC(=O)c1ccc(NC(=O)c2cc3cc(O)c(O)cc3oc2=O)c(F)c1 ZINC001155228792 1028635444 /nfs/dbraw/zinc/63/54/44/1028635444.db2.gz XJFLWZSZHVELMO-UHFFFAOYSA-N 0 0 357.293 2.798 20 10 FFCDRN C[C@@H](NC(=O)c1cc2cc(O)c(O)cc2oc1=O)c1nc2ccccc2[nH]1 ZINC001155233066 1028638628 /nfs/dbraw/zinc/63/86/28/1028638628.db2.gz ZBVMCXDJILNITD-SECBINFHSA-N 0 0 365.345 2.572 20 10 FFCDRN COCCO[C@H]1CC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000780491306 1028712641 /nfs/dbraw/zinc/71/26/41/1028712641.db2.gz IHZIPDNHQQNMPE-INIZCTEOSA-N 0 0 371.433 2.566 20 10 FFCDRN COC(=O)CCCOc1ccc(NC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000780940135 1028884407 /nfs/dbraw/zinc/88/44/07/1028884407.db2.gz NUFYOIVHNXPWLJ-UHFFFAOYSA-N 0 0 359.378 2.991 20 10 FFCDRN COc1nc(-c2ccccc2)nc(N2CCCc3cc(O)c(O)cc3C2)n1 ZINC001155940932 1028984398 /nfs/dbraw/zinc/98/43/98/1028984398.db2.gz BCZGOSBNQSMPDR-UHFFFAOYSA-N 0 0 364.405 2.911 20 10 FFCDRN Cc1cc(C(=O)NC2(CO)Cc3ccccc3C2)c(C)n1-c1ccccn1 ZINC000781098092 1028989052 /nfs/dbraw/zinc/98/90/52/1028989052.db2.gz MRFUOZRBIDUJHC-UHFFFAOYSA-N 0 0 361.445 2.749 20 10 FFCDRN CO[C@@H](C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1cnn(C)c1 ZINC000798850557 1029118458 /nfs/dbraw/zinc/11/84/58/1029118458.db2.gz NKUMBHSOHJBJMM-LJQANCHMSA-N 0 0 356.470 2.757 20 10 FFCDRN Cc1ccc2cc(C(=O)NCC(=O)c3ccc(O)c(O)c3)cc(C)c2n1 ZINC001156654757 1029289197 /nfs/dbraw/zinc/28/91/97/1029289197.db2.gz VSKZALSRFQNBTI-UHFFFAOYSA-N 0 0 350.374 2.876 20 10 FFCDRN CC1(C)CC[C@H](C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000781623376 1029311012 /nfs/dbraw/zinc/31/10/12/1029311012.db2.gz DGYOFUGEOLJXMJ-DLBZAZTESA-N 0 0 357.498 2.831 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](Oc1ccccc1)C(C)(C)O ZINC000827962654 1029350194 /nfs/dbraw/zinc/35/01/94/1029350194.db2.gz PPDJXYLCICMJEI-IBGZPJMESA-N 0 0 356.466 2.896 20 10 FFCDRN CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cc(OC)c(F)cc1[N+](=O)[O-] ZINC001157101689 1029465663 /nfs/dbraw/zinc/46/56/63/1029465663.db2.gz DJEIWHOZVOVXPK-UHFFFAOYSA-N 0 0 369.345 2.864 20 10 FFCDRN COc1ccccc1-c1cc(NCCc2cc(O)c(O)cc2O)ncn1 ZINC001157245388 1029519870 /nfs/dbraw/zinc/51/98/70/1029519870.db2.gz YEJVRDAURFXYQC-UHFFFAOYSA-N 0 0 353.378 2.924 20 10 FFCDRN Oc1cc(O)c(CCNc2nc(Cl)cc(-c3ccncc3)n2)cc1O ZINC001157246745 1029519970 /nfs/dbraw/zinc/51/99/70/1029519970.db2.gz HEZIYEIKSURESB-UHFFFAOYSA-N 0 0 358.785 2.963 20 10 FFCDRN COC(=O)c1cc2ccccc2nc1NCCc1cc(O)c(O)cc1O ZINC001157245448 1029520843 /nfs/dbraw/zinc/52/08/43/1029520843.db2.gz BBFJZERBXAUPNC-UHFFFAOYSA-N 0 0 354.362 2.793 20 10 FFCDRN COc1ccccc1[C@](N)(C(=O)N(C)Cc1ccccc1O)C(F)(F)F ZINC000782166704 1029595485 /nfs/dbraw/zinc/59/54/85/1029595485.db2.gz JSAREMXUJCFTLB-KRWDZBQOSA-N 0 0 368.355 2.776 20 10 FFCDRN COc1c(NC(=O)NCc2c(O)ccc3c2CCCC3)cccc1C(N)=O ZINC000782708677 1029791892 /nfs/dbraw/zinc/79/18/92/1029791892.db2.gz GISZSPJMRMIFFZ-UHFFFAOYSA-N 0 0 369.421 2.700 20 10 FFCDRN COc1cccc(O)c1CNc1ccc(C(=O)N2CCOCC2)cc1C ZINC000840952832 1029941086 /nfs/dbraw/zinc/94/10/86/1029941086.db2.gz VPVDFHOYGQKWSV-UHFFFAOYSA-N 0 0 356.422 2.794 20 10 FFCDRN O=C(COC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccc(O)c(O)c1 ZINC000783176574 1029947882 /nfs/dbraw/zinc/94/78/82/1029947882.db2.gz VBLKYQLTSQQSDP-UHFFFAOYSA-N 0 0 374.364 2.711 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)ccc1[N+](=O)[O-] ZINC000840978938 1029957897 /nfs/dbraw/zinc/95/78/97/1029957897.db2.gz XQADISODLLOCAP-AWEZNQCLSA-N 0 0 361.373 2.817 20 10 FFCDRN C[C@@H](O)[C@@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)CCO1 ZINC000840976011 1029958405 /nfs/dbraw/zinc/95/84/05/1029958405.db2.gz BAWXQSCCLLWDIW-VGSWGCGISA-N 0 0 352.478 2.831 20 10 FFCDRN CC[C@@H](C)C(=O)Nc1cccc(CNC(=O)C(=O)Nc2ccc(N)cc2)c1 ZINC000841009299 1029974265 /nfs/dbraw/zinc/97/42/65/1029974265.db2.gz MNGMGTRUUWBTHX-CYBMUJFWSA-N 0 0 368.437 2.508 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)Nc2cc(N)ccc2C)cc1 ZINC000841017559 1029978682 /nfs/dbraw/zinc/97/86/82/1029978682.db2.gz XLGPRNMVBNVCJL-UHFFFAOYSA-N 0 0 354.454 2.678 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000841111362 1030045591 /nfs/dbraw/zinc/04/55/91/1030045591.db2.gz CKENXWKNDDBOQV-IRXDYDNUSA-N 0 0 371.437 2.695 20 10 FFCDRN Nc1ccc(NC(=O)C(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)cc1 ZINC000841138669 1030068454 /nfs/dbraw/zinc/06/84/54/1030068454.db2.gz DVSHGOUJMLQKRM-KRWDZBQOSA-N 0 0 363.421 2.837 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)Nc2cccc(N3CCCCC3)c2)cc1 ZINC000841174318 1030092288 /nfs/dbraw/zinc/09/22/88/1030092288.db2.gz HPVWBFVYUNUVQW-UHFFFAOYSA-N 0 0 366.465 2.557 20 10 FFCDRN COC(=O)c1ccnc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1 ZINC000841385151 1030246409 /nfs/dbraw/zinc/24/64/09/1030246409.db2.gz RSMQJLMTAJRGQX-UHFFFAOYSA-N 0 0 353.422 2.789 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NC[C@H](CC(C)C)OC)CC2)cc1F ZINC000841593006 1030355303 /nfs/dbraw/zinc/35/53/03/1030355303.db2.gz VDMBXRIYMYXARE-INIZCTEOSA-N 0 0 367.465 2.727 20 10 FFCDRN COC(=O)c1cncc(NC(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)c1 ZINC000841673569 1030392964 /nfs/dbraw/zinc/39/29/64/1030392964.db2.gz VINXUOHLKIXJQW-AWEZNQCLSA-N 0 0 370.453 2.995 20 10 FFCDRN CCOc1ccc(-n2c(C)cc(C(=O)Cn3ncc([N+](=O)[O-])n3)c2C)cc1 ZINC001166681928 1030478166 /nfs/dbraw/zinc/47/81/66/1030478166.db2.gz CPTXFUKABLSFFM-UHFFFAOYSA-N 0 0 369.381 2.875 20 10 FFCDRN CN(C)[C@H](CNC(=O)NCCc1ccc(N)cc1)c1c(F)cccc1F ZINC000841822554 1030487682 /nfs/dbraw/zinc/48/76/82/1030487682.db2.gz SKUIURNWHFDDES-QGZVFWFLSA-N 0 0 362.424 2.692 20 10 FFCDRN CC[C@H](NC(=O)NCCc1ccc(N)cc1)c1nnc2n1CCCCC2 ZINC000841851164 1030501798 /nfs/dbraw/zinc/50/17/98/1030501798.db2.gz LESGCKCCSOZHPS-INIZCTEOSA-N 0 0 356.474 2.580 20 10 FFCDRN COc1cccc2[nH]cc(CCNC(=O)NCCc3ccc(N)cc3)c21 ZINC000841876141 1030514487 /nfs/dbraw/zinc/51/44/87/1030514487.db2.gz WTOZKNVVWHLJDA-UHFFFAOYSA-N 0 0 352.438 2.843 20 10 FFCDRN C[C@H](NC(=O)N1CCNC[C@H]1c1cccnc1)c1ccc(N(C)C)cc1 ZINC000841880568 1030519571 /nfs/dbraw/zinc/51/95/71/1030519571.db2.gz COXBURJUYLSTEP-KXBFYZLASA-N 0 0 353.470 2.565 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cc(C(N)=O)c(Cl)cn2)C1 ZINC001166815759 1030530891 /nfs/dbraw/zinc/53/08/91/1030530891.db2.gz HIDKRXWAWVBGHE-UHFFFAOYSA-N 0 0 370.840 2.897 20 10 FFCDRN COc1ccc2c(c1)c1c(n2C)CCN(c2cncc(-n3ccnc3)n2)C1 ZINC001166817901 1030532932 /nfs/dbraw/zinc/53/29/32/1030532932.db2.gz JVLJOIXZHFUPHM-UHFFFAOYSA-N 0 0 360.421 2.725 20 10 FFCDRN Nc1ccc(CCNC(=O)NC[C@H]2CCN(c3ccccc3F)C2)cc1 ZINC000841908810 1030535472 /nfs/dbraw/zinc/53/54/72/1030535472.db2.gz AMTKXFYRSCXCCN-MRXNPFEDSA-N 0 0 356.445 2.776 20 10 FFCDRN CC(C)N(C[C@H](O)COc1ccccc1)C(=O)NCCc1ccc(N)cc1 ZINC000841957477 1030558607 /nfs/dbraw/zinc/55/86/07/1030558607.db2.gz BRLGHFQPCSXBSG-IBGZPJMESA-N 0 0 371.481 2.671 20 10 FFCDRN CCN1C[C@H](CN(C)C(=O)NCCc2ccc(N)cc2)Oc2ccccc21 ZINC000841963106 1030561808 /nfs/dbraw/zinc/56/18/08/1030561808.db2.gz WMHUVBZVYCHZGX-SFHVURJKSA-N 0 0 368.481 2.740 20 10 FFCDRN Oc1cc(F)c(F)cc1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001142513104 1030562367 /nfs/dbraw/zinc/56/23/67/1030562367.db2.gz XUAWHLMXNXYUHO-KVSKMBFKSA-N 0 0 362.376 2.876 20 10 FFCDRN COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(Cc1cc(F)c(F)cc1O)C2 ZINC001142512812 1030563129 /nfs/dbraw/zinc/56/31/29/1030563129.db2.gz MBKCRLYPMKSNSC-JXFKEZNVSA-N 0 0 366.452 2.851 20 10 FFCDRN COCCn1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)n1 ZINC000784319690 1030568131 /nfs/dbraw/zinc/56/81/31/1030568131.db2.gz SGIKLCLQJLCFKV-UHFFFAOYSA-N 0 0 366.465 2.910 20 10 FFCDRN O=C(NCc1cccnc1)[C@H]1C[C@]12CC[N@@H+](Cc1cc(F)c(F)cc1[O-])C2 ZINC001142521039 1030569971 /nfs/dbraw/zinc/56/99/71/1030569971.db2.gz VDSHUTBRPBVADJ-QRWLVFNGSA-N 0 0 373.403 2.594 20 10 FFCDRN O=C1NCCN(Cc2cc(F)c(F)cc2O)[C@@H]1c1ccc(Cl)cc1 ZINC001142530288 1030581482 /nfs/dbraw/zinc/58/14/82/1030581482.db2.gz BWACMIZLLSQHDF-MRXNPFEDSA-N 0 0 352.768 2.997 20 10 FFCDRN Cc1ccc([C@@H]2C[C@H](C)N(C(=O)C(=O)NCCc3ccc(N)cc3)C2)cc1 ZINC000842235112 1030651463 /nfs/dbraw/zinc/65/14/63/1030651463.db2.gz CXLPYEPAPVSISF-QFBILLFUSA-N 0 0 365.477 2.641 20 10 FFCDRN C[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)C(=O)N1CCCCC1 ZINC000784670507 1030745045 /nfs/dbraw/zinc/74/50/45/1030745045.db2.gz FLPYTGCMFOPYGJ-ZDUSSCGKSA-N 0 0 373.478 2.874 20 10 FFCDRN Oc1ccccc1CN1Cc2nccn2C[C@@H](COCc2ccccn2)C1 ZINC001203552570 1030762458 /nfs/dbraw/zinc/76/24/58/1030762458.db2.gz OLLLXSIEEADGIQ-KRWDZBQOSA-N 0 0 364.449 2.833 20 10 FFCDRN CC(=O)Nc1ccc(F)c(C(=O)NCc2ccc3cccnc3c2O)c1 ZINC001142727632 1030769792 /nfs/dbraw/zinc/76/97/92/1030769792.db2.gz BWQFAHCEVOLBQC-UHFFFAOYSA-N 0 0 353.353 2.968 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)N[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000842517556 1030777647 /nfs/dbraw/zinc/77/76/47/1030777647.db2.gz MADRVDWNXFUSDW-GBESFXJTSA-N 0 0 369.509 2.940 20 10 FFCDRN CC(=O)CCC(=O)N1CCN(c2ccc(OCc3cccnc3)cc2)CC1 ZINC001142749766 1030788769 /nfs/dbraw/zinc/78/87/69/1030788769.db2.gz RIXZPSHIEXEFQV-UHFFFAOYSA-N 0 0 367.449 2.678 20 10 FFCDRN CCN(C(C)=O)C1CC[NH+](Cc2cc(Br)ccc2O)CC1 ZINC001203649809 1030802842 /nfs/dbraw/zinc/80/28/42/1030802842.db2.gz HHFVCSXNLXPQMI-UHFFFAOYSA-N 0 0 355.276 2.988 20 10 FFCDRN CCOC[C@H]1CN(Cc2cc(OC)ccc2O)Cc2nnn(CC3CC3)c21 ZINC001203671359 1030817740 /nfs/dbraw/zinc/81/77/40/1030817740.db2.gz OZPJQYIYJFIFQI-MRXNPFEDSA-N 0 0 372.469 2.538 20 10 FFCDRN COC[C@H]1CN(Cc2cc(OC)ccc2O)Cc2nn(CC3CC3)cc21 ZINC001203671277 1030819115 /nfs/dbraw/zinc/81/91/15/1030819115.db2.gz MCDFNVPVDDJRPD-MRXNPFEDSA-N 0 0 357.454 2.753 20 10 FFCDRN CC[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)c1ccc(F)cc1[O-] ZINC000796731531 1030898567 /nfs/dbraw/zinc/89/85/67/1030898567.db2.gz WGKNLQBLQNPFDV-LJQANCHMSA-N 0 0 371.456 2.921 20 10 FFCDRN CCOc1ccc(CN[C@@H](C(=O)OC(C)(C)C)c2ccnn2C)c(O)c1 ZINC000842775186 1030954104 /nfs/dbraw/zinc/95/41/04/1030954104.db2.gz OOEVXLAUSPOOFK-QGZVFWFLSA-N 0 0 361.442 2.697 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)c3cn(C4CCC4)nn3)C2)cc1 ZINC000842872648 1031004556 /nfs/dbraw/zinc/00/45/56/1031004556.db2.gz BWQYZMBAWKYCKH-CQSZACIVSA-N 0 0 356.426 2.695 20 10 FFCDRN COc1ccc(N2CC[C@@H](COC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)C2)cc1 ZINC000842873376 1031006090 /nfs/dbraw/zinc/00/60/90/1031006090.db2.gz HIYHCJPVLAYWLM-MDASCCDHSA-N 0 0 355.438 2.602 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)c3cnc4nccnc4c3)C2)cc1 ZINC000842874219 1031008368 /nfs/dbraw/zinc/00/83/68/1031008368.db2.gz ARTQUZFMERYRJH-AWEZNQCLSA-N 0 0 364.405 2.717 20 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/nfs/dbraw/zinc/13/96/21/1031139621.db2.gz VKHJZAHIXMKQTN-WBVHZDCISA-N 0 0 374.485 2.939 20 10 FFCDRN CNC(=O)[C@@]1(C)CC[N@H+](CC(=O)c2cc(C)n(-c3ccccc3)c2C)C1 ZINC000797525941 1031144500 /nfs/dbraw/zinc/14/45/00/1031144500.db2.gz UTRJYSKOJCYFDT-NRFANRHFSA-N 0 0 353.466 2.735 20 10 FFCDRN CNC(=O)C[C@H](NC(=O)N(C)Cc1ccc(N(C)C)cc1)c1ccccc1 ZINC000797546423 1031150719 /nfs/dbraw/zinc/15/07/19/1031150719.db2.gz CAKPIHSDKVELRP-IBGZPJMESA-N 0 0 368.481 2.771 20 10 FFCDRN COCCOc1ccccc1NC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000797619293 1031164298 /nfs/dbraw/zinc/16/42/98/1031164298.db2.gz KQFXCEHLZHTSSG-ZDUSSCGKSA-N 0 0 360.410 2.876 20 10 FFCDRN COC(=O)N(C)c1ccc(NC(=O)NCc2ccc(OC)cc2O)cc1 ZINC000797618131 1031164362 /nfs/dbraw/zinc/16/43/62/1031164362.db2.gz GIGDBLXCZWAUIE-UHFFFAOYSA-N 0 0 359.382 2.925 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc(N3CCO[C@H](C)C3)cc2)c(O)c1 ZINC000797628328 1031168215 /nfs/dbraw/zinc/16/82/15/1031168215.db2.gz NLBOXRZUVIXPAO-CQSZACIVSA-N 0 0 371.437 2.948 20 10 FFCDRN CC(=O)OCCc1cccc(NC(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000797642955 1031173080 /nfs/dbraw/zinc/17/30/80/1031173080.db2.gz MTOCIQCBRFNNAX-CYBMUJFWSA-N 0 0 372.421 2.956 20 10 FFCDRN COCCOc1ccc(N2CCN(Cc3ccc4nccn4c3)CC2)cc1 ZINC001143034157 1031174029 /nfs/dbraw/zinc/17/40/29/1031174029.db2.gz XVJHMENFVXGUOL-UHFFFAOYSA-N 0 0 366.465 2.682 20 10 FFCDRN CCNC(=O)N(C)c1cccc(NC(=O)NCc2ccc(OC)cc2O)c1 ZINC000797664464 1031179770 /nfs/dbraw/zinc/17/97/70/1031179770.db2.gz KZITVXOBXDUNGF-UHFFFAOYSA-N 0 0 372.425 2.888 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2O)CC1(F)F ZINC001204278773 1031203713 /nfs/dbraw/zinc/20/37/13/1031203713.db2.gz JTXIMZPFAMMQKX-CQSZACIVSA-N 0 0 358.385 2.832 20 10 FFCDRN Nc1ccc(Cc2noc(CS(=O)(=O)CCCc3ccccc3)n2)cc1 ZINC000843161842 1031217388 /nfs/dbraw/zinc/21/73/88/1031217388.db2.gz PMAJRVGPGGGOQA-UHFFFAOYSA-N 0 0 371.462 2.790 20 10 FFCDRN COc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)OC(C)(C)C)C2)cc(O)c1O ZINC001204343066 1031238560 /nfs/dbraw/zinc/23/85/60/1031238560.db2.gz OSSPMHSDCKENKC-ZDUSSCGKSA-N 0 0 366.458 2.843 20 10 FFCDRN COc1cc(CN2CCN(Cc3c(F)cccc3F)CC2)cc(O)c1O ZINC001204349112 1031244531 /nfs/dbraw/zinc/24/45/31/1031244531.db2.gz PGBSLNXYBUZVDR-UHFFFAOYSA-N 0 0 364.392 2.702 20 10 FFCDRN COc1cc(CN2CCC(NC(=O)c3ccc(F)cc3)CC2)cc(O)c1O ZINC001204349832 1031245935 /nfs/dbraw/zinc/24/59/35/1031245935.db2.gz BZFFVBJYNUSLEV-UHFFFAOYSA-N 0 0 374.412 2.640 20 10 FFCDRN O=C(c1nnc2ccccc2n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000798169600 1031326937 /nfs/dbraw/zinc/32/69/37/1031326937.db2.gz JZADRDOGHCLMGX-OAHLLOKOSA-N 0 0 364.405 2.552 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2c2ncccn2)cc1 ZINC000843343185 1031336508 /nfs/dbraw/zinc/33/65/08/1031336508.db2.gz WGOGNELINYJKSA-UHOSZYNNSA-N 0 0 365.481 2.555 20 10 FFCDRN Cc1cc(CNC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)c(C)n1-c1ccccc1 ZINC001535143490 1069733560 /nfs/dbraw/zinc/73/35/60/1069733560.db2.gz LZDKWCMINKYJJM-MOPGFXCFSA-N 0 0 369.465 2.523 20 10 FFCDRN CC(C)n1ncc2cc(C=CC(=O)N3CCNc4ccccc43)c(=O)[nH]c21 ZINC000843479595 1031421484 /nfs/dbraw/zinc/42/14/84/1031421484.db2.gz DAMWCERZWRCPGX-FPLPWBNLSA-N 0 0 363.421 2.777 20 10 FFCDRN Cn1ncc2c1C[C@@H](C(=O)Nc1c(-c3ccccn3)nc3ccccn31)CC2 ZINC000798464001 1031423466 /nfs/dbraw/zinc/42/34/66/1031423466.db2.gz FRGKPOCSFKICCS-AWEZNQCLSA-N 0 0 372.432 2.873 20 10 FFCDRN Nc1cccc2c1C(=O)c1cccc(Nc3cnn([C@H]4CCOC4)c3)c1C2=O ZINC001205205398 1031593290 /nfs/dbraw/zinc/59/32/90/1031593290.db2.gz NUQWSQOANUOLAP-ZDUSSCGKSA-N 0 0 374.400 2.946 20 10 FFCDRN CO[C@H](C(=O)N(Cc1ccco1)Cc1ccccc1O)c1cnn(C)c1 ZINC000798976184 1031601533 /nfs/dbraw/zinc/60/15/33/1031601533.db2.gz DYZAUFLLKJVRDM-SFHVURJKSA-N 0 0 355.394 2.635 20 10 FFCDRN CCOC(=O)[C@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)CCC1(F)F ZINC001149865417 1031611587 /nfs/dbraw/zinc/61/15/87/1031611587.db2.gz XVLIJJIYWNXIBZ-GFCCVEGCSA-N 0 0 368.340 2.510 20 10 FFCDRN CCOC(=O)[C@H](C(=O)N[C@H](C)c1cc(OC)ccc1O)c1ccccc1 ZINC001150542476 1031736224 /nfs/dbraw/zinc/73/62/24/1031736224.db2.gz AREZGRLNLPHBRP-ACJLOTCBSA-N 0 0 357.406 2.925 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N1CCCC[C@H]1C(F)F ZINC000799887075 1031920627 /nfs/dbraw/zinc/92/06/27/1031920627.db2.gz LJOUIIQUTHRMQD-INIZCTEOSA-N 0 0 371.403 2.992 20 10 FFCDRN [NH3+]C[C@H]1CN(Cc2cc(Br)c(F)cc2[O-])CCC1(F)F ZINC001205781730 1031987593 /nfs/dbraw/zinc/98/75/93/1031987593.db2.gz YIWBVENAGFMCOU-VIFPVBQESA-N 0 0 353.182 2.710 20 10 FFCDRN CC[C@@H](NC(=O)N(C)CCN(C)c1ccc(OC)cc1)c1noc(C)n1 ZINC001223166651 1033316585 /nfs/dbraw/zinc/31/65/85/1033316585.db2.gz UVOHINOCWBLOPV-MRXNPFEDSA-N 0 0 361.446 2.616 20 10 FFCDRN CC[C@H](NC(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000830314667 1033565263 /nfs/dbraw/zinc/56/52/63/1033565263.db2.gz HPTUKDLVIVWFNU-IBGZPJMESA-N 0 0 357.498 2.940 20 10 FFCDRN CCc1c[nH]c(=O)c(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000830899730 1033850438 /nfs/dbraw/zinc/85/04/38/1033850438.db2.gz KVRJCJKFLYKEPS-MRXNPFEDSA-N 0 0 356.422 2.877 20 10 FFCDRN COC[C@H]1c2nnn(C)c2CCN1Cc1ccc(N2CCCCC2)cc1 ZINC001138217099 1033968938 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20 10 FFCDRN Nc1ccc(CC(=O)NCc2ccc(OCC3CCOCC3)cc2)cc1 ZINC001221078544 1034537030 /nfs/dbraw/zinc/53/70/30/1034537030.db2.gz JSCRIHBORWOTJK-UHFFFAOYSA-N 0 0 354.450 2.933 20 10 FFCDRN Brc1cc(CN2CCOC3(CC3)C2)ccc1N1CCOCC1 ZINC001138678020 1034537810 /nfs/dbraw/zinc/53/78/10/1034537810.db2.gz UXKOPYQIQSIWDJ-UHFFFAOYSA-N 0 0 367.287 2.651 20 10 FFCDRN CC1(C)COCCN1Cc1ccc(N2CCOCC2)c(Br)c1 ZINC001138679295 1034538549 /nfs/dbraw/zinc/53/85/49/1034538549.db2.gz WYRMZZBFJMRSKD-UHFFFAOYSA-N 0 0 369.303 2.897 20 10 FFCDRN CC[C@@H]1CCN(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)[C@@H]1C ZINC001221263134 1034634685 /nfs/dbraw/zinc/63/46/85/1034634685.db2.gz BNBKIQRCCZHKHJ-KBAYOESNSA-N 0 0 372.513 2.718 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)C(=O)Nc3cccnc3F)cc2)CC1 ZINC000832231317 1034654676 /nfs/dbraw/zinc/65/46/76/1034654676.db2.gz AWDRQIOVMQRMAP-UHFFFAOYSA-N 0 0 370.428 2.712 20 10 FFCDRN CCS(=O)(=O)c1ccc(CN2CCCc3cc(O)c(O)cc3C2)cc1 ZINC001138815738 1034703379 /nfs/dbraw/zinc/70/33/79/1034703379.db2.gz 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CNC(=O)[C@H]1CC12CC[NH+](Cc1cc(C)c(Br)cc1O)CC2 ZINC001277191481 1034977971 /nfs/dbraw/zinc/97/79/71/1034977971.db2.gz KKPYIBVBQNZUCQ-CYBMUJFWSA-N 0 0 367.287 2.811 20 10 FFCDRN COc1cncc(C(=O)NCc2cccc(Br)c2O)c1C ZINC001139975113 1035294766 /nfs/dbraw/zinc/29/47/66/1035294766.db2.gz UUNTXLOPSOPBNR-UHFFFAOYSA-N 0 0 351.200 2.797 20 10 FFCDRN CC(C)(C)OC(=O)N1CCO[C@@]2(CC[N@H+](Cc3cc(F)ccc3O)C2)C1 ZINC001140056515 1035325212 /nfs/dbraw/zinc/32/52/12/1035325212.db2.gz ZRBBRUJQOBLJHU-LJQANCHMSA-N 0 0 366.433 2.743 20 10 FFCDRN Cc1cc(CC(=O)N2CC[C@@H](N3CCCC3=O)C2)c(C)n1-c1ccccc1 ZINC000834334148 1035365350 /nfs/dbraw/zinc/36/53/50/1035365350.db2.gz COUJDDHDAFYSLB-HXUWFJFHSA-N 0 0 365.477 2.860 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)C[C@H](O)CCC ZINC000834514785 1035402609 /nfs/dbraw/zinc/40/26/09/1035402609.db2.gz VXSMQLYSZSGXFZ-QGZVFWFLSA-N 0 0 364.486 2.926 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H]2CC[C@H]3C[C@H]3C2)cc1F ZINC000834711154 1035433476 /nfs/dbraw/zinc/43/34/76/1035433476.db2.gz LYQVNMMWMRNXAI-HRCADAONSA-N 0 0 361.461 2.593 20 10 FFCDRN CC(C)[C@H](NCC=Cc1ccc(N(C)C)cc1)c1nc(-c2nc[nH]n2)no1 ZINC000835040207 1035491646 /nfs/dbraw/zinc/49/16/46/1035491646.db2.gz BQRQQRNEOLWKKY-KJPDOMRESA-N 0 0 367.457 2.921 20 10 FFCDRN OC[C@@H]1CN(Cc2ccc(N3CCOCC3)c(Cl)c2)CC(F)(F)C1 ZINC001232194258 1035493933 /nfs/dbraw/zinc/49/39/33/1035493933.db2.gz GUBUNNQDYXTWIT-AWEZNQCLSA-N 0 0 360.832 2.626 20 10 FFCDRN Clc1cc(CN2CCN(c3ccccn3)CC2)ccc1N1CCOCC1 ZINC001232198084 1035495194 /nfs/dbraw/zinc/49/51/94/1035495194.db2.gz HNYXFBRJEOUEQE-UHFFFAOYSA-N 0 0 372.900 2.894 20 10 FFCDRN Clc1cc(CN2CC(Oc3cccnc3)C2)ccc1N1CCOCC1 ZINC001232202598 1035499087 /nfs/dbraw/zinc/49/90/87/1035499087.db2.gz BXWHJCGSIRFADI-UHFFFAOYSA-N 0 0 359.857 2.835 20 10 FFCDRN CCCCN1C[C@@]2(F)CN(Cc3c(C)cc(C)cc3O)C[C@@]2(F)C1=O ZINC001277204659 1035527534 /nfs/dbraw/zinc/52/75/34/1035527534.db2.gz SNJOYLQCDDBDJF-RBUKOAKNSA-N 0 0 352.425 2.884 20 10 FFCDRN O=C(c1cccc(F)c1)N1CCN(Cc2cc(Cl)c(O)cc2O)CC1 ZINC001232261686 1035534255 /nfs/dbraw/zinc/53/42/55/1035534255.db2.gz MAIWEMPCVYLNBM-UHFFFAOYSA-N 0 0 364.804 2.848 20 10 FFCDRN CCOC[C@H]1Cn2nccc2CN(Cc2cc(Cl)c(OC)cc2O)C1 ZINC001232265784 1035538167 /nfs/dbraw/zinc/53/81/67/1035538167.db2.gz QIBPLBFUOUEASS-CYBMUJFWSA-N 0 0 365.861 2.919 20 10 FFCDRN C[C@@H](O)CCCC(=O)Oc1c(O)ccc2c1C(=O)c1ccccc1C2=O ZINC001227580293 1035616581 /nfs/dbraw/zinc/61/65/81/1035616581.db2.gz LLBUBDPFAZSTNU-LLVKDONJSA-N 0 0 354.358 2.624 20 10 FFCDRN CC1=C(Oc2c(O)ccc3c2C(=O)c2ccccc2C3=O)C(=O)O[C@H]1C ZINC001227581271 1035617943 /nfs/dbraw/zinc/61/79/43/1035617943.db2.gz YUAYRINZOHYZHZ-JTQLQIEISA-N 0 0 350.326 2.766 20 10 FFCDRN O=C1NC[C@H](c2ccccc2)[C@@]12CC[N@@H+](Cc1c([O-])cc(F)cc1F)C2 ZINC001140581066 1035661032 /nfs/dbraw/zinc/66/10/32/1035661032.db2.gz PKNTYUIWSUCKEM-UZLBHIALSA-N 0 0 358.388 2.776 20 10 FFCDRN CCOC(=O)c1coc2c1CN(Cc1ccc(N3CCOCC3)cc1F)C2 ZINC001140664168 1035818031 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FFCDRN Cc1cc(Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccccc2O)on1 ZINC001290964666 1048554250 /nfs/dbraw/zinc/55/42/50/1048554250.db2.gz QMXHKLOMTDDZFK-UHFFFAOYSA-N 0 0 364.409 2.960 20 10 FFCDRN CC[C@@H](C)c1nnc(N(C)Cc2ccccc2O)n1CCCn1ccnn1 ZINC001291445726 1048676678 /nfs/dbraw/zinc/67/66/78/1048676678.db2.gz STACYAZHLNHTMT-OAHLLOKOSA-N 0 0 369.473 2.815 20 10 FFCDRN Cc1ccc(C[C@H](C)[N@H+](C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)cc1 ZINC000738267475 1048676821 /nfs/dbraw/zinc/67/68/21/1048676821.db2.gz FSYUNMGZZYIJIN-ZDUSSCGKSA-N 0 0 354.410 2.505 20 10 FFCDRN CSC[C@H](CCO)NC(=O)Cc1ccc(-n2c(C)cc(C=O)c2C)cc1 ZINC001329371195 1048690471 /nfs/dbraw/zinc/69/04/71/1048690471.db2.gz FAUZMUIKQKMFTF-SFHVURJKSA-N 0 0 374.506 2.679 20 10 FFCDRN Cc1cc(CCNC(=O)NCC(=O)N2CCCC2)c(C)n1-c1ccccc1 ZINC001329380118 1048694669 /nfs/dbraw/zinc/69/46/69/1048694669.db2.gz NAGHRKZKMRNWDN-UHFFFAOYSA-N 0 0 368.481 2.558 20 10 FFCDRN CN1CCN(c2ccc(CNc3ccn(C4CCOCC4)n3)cc2F)CC1 ZINC001329557736 1048775464 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CCn1c(-c2sc3ncccc3c2[O-])nnc1N1CCC[N@H+](CC)CC1 ZINC001340358169 1050753515 /nfs/dbraw/zinc/75/35/15/1050753515.db2.gz VADAPRPZKKUBFA-UHFFFAOYSA-N 0 0 372.498 2.812 20 10 FFCDRN CC(=O)[C@H]1CC(C(=O)NCc2cc(C)ccc2O)=NN1c1ccccc1 ZINC001301046670 1050800099 /nfs/dbraw/zinc/80/00/99/1050800099.db2.gz HKHACLPSRSSGOM-GOSISDBHSA-N 0 0 351.406 2.541 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NC[C@@H]1OCc2ccccc21 ZINC001340497553 1050894921 /nfs/dbraw/zinc/89/49/21/1050894921.db2.gz IYRCZYASJJQDON-FQEVSTJZSA-N 0 0 367.449 2.594 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCc2ccccc2CC1 ZINC001342395796 1050990080 /nfs/dbraw/zinc/99/00/80/1050990080.db2.gz ZQYQAYCOTYBTNJ-UHFFFAOYSA-N 0 0 370.478 2.964 20 10 FFCDRN Cn1c(SCC(=O)N2Cc3cccc(O)c3C2)nnc1-c1cccs1 ZINC001302788593 1051198894 /nfs/dbraw/zinc/19/88/94/1051198894.db2.gz YHELDRYJJWEMCY-UHFFFAOYSA-N 0 0 372.475 2.884 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1c(Cl)ccnc1Br ZINC001303195195 1051299983 /nfs/dbraw/zinc/29/99/83/1051299983.db2.gz 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COC(=O)c1cc(OCc2nc(-c3cc(C)ccn3)no2)ccc1N(C)C ZINC001307389241 1052298747 /nfs/dbraw/zinc/29/87/47/1052298747.db2.gz PDDQIBXTTYMCLB-UHFFFAOYSA-N 0 0 368.393 2.872 20 10 FFCDRN CNC(=O)c1ccc(C)c(NCc2ccc(N3CCN(C)CC3)c(F)c2)c1 ZINC001308320341 1052446334 /nfs/dbraw/zinc/44/63/34/1052446334.db2.gz UQYSVAZWYSXHNL-UHFFFAOYSA-N 0 0 370.472 2.858 20 10 FFCDRN Cc1cc(S(N)(=O)=O)c(C)cc1NCc1cc(F)c(N(C)C)cc1F ZINC001308518716 1052464284 /nfs/dbraw/zinc/46/42/84/1052464284.db2.gz VVDPBMTZJADJNJ-UHFFFAOYSA-N 0 0 369.437 2.907 20 10 FFCDRN Cc1cc(O)c(CNc2ccc3c(=O)n(C)c(=O)n(C)c3c2)cc1Cl ZINC001308948585 1052525205 /nfs/dbraw/zinc/52/52/05/1052525205.db2.gz POTAKBHPPNXKFY-UHFFFAOYSA-N 0 0 359.813 2.517 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3ncoc3[C@@H]3CCCO3)C2)cc1 ZINC001345629273 1052545963 /nfs/dbraw/zinc/54/59/63/1052545963.db2.gz QUCFXTOMHQRATC-PBHICJAKSA-N 0 0 371.437 2.791 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1Cc2cccnc2C1 ZINC001345632575 1052547974 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FFCDRN Cc1cc(CNC(=O)C(=O)NCCC(F)(F)F)c(C)n1-c1ccccc1 ZINC001336094192 1053764005 /nfs/dbraw/zinc/76/40/05/1053764005.db2.gz OGEQLCPNCSVQNY-UHFFFAOYSA-N 0 0 367.371 2.779 20 10 FFCDRN C[C@H](NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccccc1O ZINC001336613394 1054091440 /nfs/dbraw/zinc/09/14/40/1054091440.db2.gz ZOGBEUSFNCSHCL-JTQLQIEISA-N 0 0 353.344 2.974 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(C)(C)C(F)(F)F ZINC001347593829 1054137922 /nfs/dbraw/zinc/13/79/22/1054137922.db2.gz TXCCBXMZKALIDT-UHFFFAOYSA-N 0 0 373.419 2.806 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1sc(N2CCCC2)nc1Cl ZINC001348046902 1054590503 /nfs/dbraw/zinc/59/05/03/1054590503.db2.gz KLJWPYJCDSNNDQ-UHFFFAOYSA-N 0 0 353.831 2.738 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3c(c2)C[C@H](C)O3)c1 ZINC001337793977 1055020477 /nfs/dbraw/zinc/02/04/77/1055020477.db2.gz AAFNZIDVOZCUKW-RYUDHWBXSA-N 0 0 370.405 2.540 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ccc3c(c2)C[C@@H](C)O3)c1 ZINC001337793978 1055021055 /nfs/dbraw/zinc/02/10/55/1055021055.db2.gz AAFNZIDVOZCUKW-VXGBXAGGSA-N 0 0 370.405 2.540 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)NC[C@H]1CCCC12CC2 ZINC001349167683 1055129494 /nfs/dbraw/zinc/12/94/94/1055129494.db2.gz WOYMSOYKSRVHDG-QGZVFWFLSA-N 0 0 355.482 2.600 20 10 FFCDRN C[C@H]1CN(c2nnc(C3SC=CC3=O)n2C)C[C@H](CC(F)(F)F)O1 ZINC001338086156 1055220535 /nfs/dbraw/zinc/22/05/35/1055220535.db2.gz FKCCJWGIWHZKDE-IUCAKERBSA-N 0 0 362.377 2.795 20 10 FFCDRN C[C@H](NCc1ccc(N2CCOCC2)c(F)c1)C(=O)OCc1ccccc1 ZINC000848921717 1055368270 /nfs/dbraw/zinc/36/82/70/1055368270.db2.gz VTPQNMMRVNLKNS-INIZCTEOSA-N 0 0 372.440 2.884 20 10 FFCDRN Cc1cc(C(=O)NCc2ccc(N3CCC(C(N)=O)CC3)cc2)oc1C ZINC001338263982 1055369472 /nfs/dbraw/zinc/36/94/72/1055369472.db2.gz MEYHAZSXJCNXSZ-UHFFFAOYSA-N 0 0 355.438 2.528 20 10 FFCDRN C[C@H](Cc1ccccn1)NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000847298934 1055416857 /nfs/dbraw/zinc/41/68/57/1055416857.db2.gz SWYIRDMXUXLIQB-IAGOWNOFSA-N 0 0 368.481 2.910 20 10 FFCDRN Cc1c(Br)cnn1CC(=O)Nc1c2nonc2ccc1Cl ZINC001543805940 1071548541 /nfs/dbraw/zinc/54/85/41/1071548541.db2.gz PYDAPMANBWXJCQ-UHFFFAOYSA-N 0 0 370.594 2.782 20 10 FFCDRN Cc1cccc([C@H]2C(=O)NCCN2Cc2ccc(N3CCOCC3)cc2)c1 ZINC000848951139 1055426388 /nfs/dbraw/zinc/42/63/88/1055426388.db2.gz OJEMFUDBFSXRRD-NRFANRHFSA-N 0 0 365.477 2.505 20 10 FFCDRN C/C(=C/c1cccnc1)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000847304447 1055434874 /nfs/dbraw/zinc/43/48/74/1055434874.db2.gz QTBUQULJLLNHKR-VKAVYKQESA-N 0 0 351.450 2.980 20 10 FFCDRN CCNC(=O)CN(CC)C(=O)Cn1c2ccc(OC)cc2c2c1CCCC2 ZINC001352411474 1055450130 /nfs/dbraw/zinc/45/01/30/1055450130.db2.gz AXOXRGQHQUGVLJ-UHFFFAOYSA-N 0 0 371.481 2.513 20 10 FFCDRN COC(=O)c1sccc1C(=O)N[C@H]1CCN(c2ccc(OC)cc2)C1 ZINC001350065505 1055602243 /nfs/dbraw/zinc/60/22/43/1055602243.db2.gz AXFBPDXSLMYTGL-LBPRGKRZSA-N 0 0 360.435 2.552 20 10 FFCDRN CC(C)O[C@@H]1CCN(c2nnc(C3Sc4ncccc4C3=O)n2C)C1 ZINC001338590129 1055649680 /nfs/dbraw/zinc/64/96/80/1055649680.db2.gz ZDVSVYRLXQEFKY-LLVKDONJSA-N 0 0 359.455 2.801 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(OC(F)F)n(C)n1 ZINC001352614925 1055652749 /nfs/dbraw/zinc/65/27/49/1055652749.db2.gz JCKCISNFTRTBGT-UHFFFAOYSA-N 0 0 364.396 2.894 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccnc(NC)c1[N+](=O)[O-] ZINC000847399435 1055702979 /nfs/dbraw/zinc/70/29/79/1055702979.db2.gz QAKMHOKFLXEXEL-UHFFFAOYSA-N 0 0 357.414 2.760 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@H]1CC(=O)NCc1cccc(O)c1O ZINC001350300607 1055714464 /nfs/dbraw/zinc/71/44/64/1055714464.db2.gz UUKRPDVNQXRXDM-ZDUSSCGKSA-N 0 0 350.415 2.504 20 10 FFCDRN COc1nc(Cl)c(/C=C2\SC(=S)N(c3cccnc3)C2=O)n1C ZINC001338685387 1055729332 /nfs/dbraw/zinc/72/93/32/1055729332.db2.gz JYGSCZUOVJFKQN-POHAHGRESA-N 0 0 366.855 2.883 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N(Cc2ccccc2F)CC2CC2)cc1 ZINC001350342048 1055734164 /nfs/dbraw/zinc/73/41/64/1055734164.db2.gz KUKFLIDZTBBBLZ-UHFFFAOYSA-N 0 0 369.440 2.505 20 10 FFCDRN CC(C)CCn1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2O)n1 ZINC001338714133 1055753550 /nfs/dbraw/zinc/75/35/50/1055753550.db2.gz YCHRFCLPJZZPBJ-UHFFFAOYSA-N 0 0 364.833 2.543 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCN(c2ccccc2F)CC1 ZINC001338750197 1055783599 /nfs/dbraw/zinc/78/35/99/1055783599.db2.gz KITVVLHTQHZEBP-UHFFFAOYSA-N 0 0 359.430 2.715 20 10 FFCDRN CC(C)(C)C(=O)N1CCC(NC(=O)NCc2cccc(Cl)c2O)CC1 ZINC001357158710 1055798698 /nfs/dbraw/zinc/79/86/98/1055798698.db2.gz CYFRMTWRKQYDNR-UHFFFAOYSA-N 0 0 367.877 2.882 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000847459451 1055828742 /nfs/dbraw/zinc/82/87/42/1055828742.db2.gz QMOSWXHSXYOQDK-SFHVURJKSA-N 0 0 374.485 2.656 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H]1CNc2ccccc21 ZINC001357338132 1055869021 /nfs/dbraw/zinc/86/90/21/1055869021.db2.gz OXXWDXOLCMAJJF-IBGZPJMESA-N 0 0 351.450 2.691 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000847500715 1055941677 /nfs/dbraw/zinc/94/16/77/1055941677.db2.gz NPILCIQUDOQWMQ-QFIPXVFZSA-N 0 0 365.477 2.525 20 10 FFCDRN CC(C)(CNC(=O)NCc1ccc(N)cc1)c1ccc2c(c1)OCCO2 ZINC001357646378 1055972312 /nfs/dbraw/zinc/97/23/12/1055972312.db2.gz GWUMPBDGKQGBCL-UHFFFAOYSA-N 0 0 355.438 2.817 20 10 FFCDRN Cn1nc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1C(F)(F)F ZINC001350892028 1055984523 /nfs/dbraw/zinc/98/45/23/1055984523.db2.gz JXBVHSIUKBDFHY-UHFFFAOYSA-N 0 0 352.360 2.969 20 10 FFCDRN Cc1nn(C(C)C)cc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000847538962 1056011129 /nfs/dbraw/zinc/01/11/29/1056011129.db2.gz LQICKKFBPGTNPW-UHFFFAOYSA-N 0 0 374.460 2.803 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)[C@@]1(C2CCCC2)CCNC1=O ZINC001351177756 1056123102 /nfs/dbraw/zinc/12/31/02/1056123102.db2.gz OJWRAOHUMNAAKD-JOCHJYFZSA-N 0 0 369.509 2.942 20 10 FFCDRN C[C@@H](NC(=O)c1cccc2[nH]cnc21)c1ccc(N2CCOCC2)cc1 ZINC001544214800 1071613060 /nfs/dbraw/zinc/61/30/60/1071613060.db2.gz FCQMKAQTCMNCKZ-CQSZACIVSA-N 0 0 350.422 2.891 20 10 FFCDRN CCn1c(Cc2cn3ccccc3n2)nnc1N(C)Cc1ccccc1O ZINC001339257297 1056258627 /nfs/dbraw/zinc/25/86/27/1056258627.db2.gz HDWHHFBYHYZLDF-UHFFFAOYSA-N 0 0 362.437 2.879 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCO[C@]2(CCc3ccccc32)C1 ZINC001339458023 1056473107 /nfs/dbraw/zinc/47/31/07/1056473107.db2.gz PRAMIYJBPDOEBE-LJQANCHMSA-N 0 0 368.462 2.928 20 10 FFCDRN CN(Cc1ccc([S@](C)=O)cc1)c1nnc(C2SC=CC2=O)n1C ZINC001339575338 1056600602 /nfs/dbraw/zinc/60/06/02/1056600602.db2.gz YMUVVYPCMHMTTR-DEOSSOPVSA-N 0 0 362.480 2.623 20 10 FFCDRN CNC(=O)CN1c2ccccc2C(=O)N(C)[C@@H]1c1cc(Cl)c(C)cc1O ZINC000849183073 1056792066 /nfs/dbraw/zinc/79/20/66/1056792066.db2.gz PILSHXDJSWUTHX-SFHVURJKSA-N 0 0 373.840 2.691 20 10 FFCDRN COc1ccc(N2CC[C@@H](N3C(=O)N[C@H](c4ccccc4F)C3=O)C2)cc1 ZINC000849356464 1056841302 /nfs/dbraw/zinc/84/13/02/1056841302.db2.gz FICIEZDMCIRZRS-RDTXWAMCSA-N 0 0 369.396 2.706 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@H]2CC(=O)N(C(C)C)C2)c1 ZINC001544967455 1071717604 /nfs/dbraw/zinc/71/76/04/1071717604.db2.gz QJMVQZORCZQXBT-SFHVURJKSA-N 0 0 367.449 2.646 20 10 FFCDRN CC(C)[C@@H](C(=O)N(C)Cc1ccc(N2CCCC2)cc1)N1CCCC1=O ZINC001353910036 1058364529 /nfs/dbraw/zinc/36/45/29/1058364529.db2.gz FOFTVJLELUCXOQ-FQEVSTJZSA-N 0 0 357.498 2.892 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1ccccc1S(=O)(=O)C(F)(F)F ZINC001545501129 1071792766 /nfs/dbraw/zinc/79/27/66/1071792766.db2.gz INJHKEZFZNMHQA-UHFFFAOYSA-N 0 0 373.352 2.958 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\c1ccc(C)nc1 ZINC001446812904 1058557012 /nfs/dbraw/zinc/55/70/12/1058557012.db2.gz CLOSLXSEJZMQDA-YVMONPNESA-N 0 0 374.824 2.964 20 10 FFCDRN COC(=O)c1n[nH]c2ccc(NC(=O)NCc3c(O)cccc3F)cc21 ZINC001200607211 1058762749 /nfs/dbraw/zinc/76/27/49/1058762749.db2.gz UWCSCPTWQDDHQW-UHFFFAOYSA-N 0 0 358.329 2.516 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCN(c2ccc(F)cc2)CC1 ZINC001519508087 1058792105 /nfs/dbraw/zinc/79/21/05/1058792105.db2.gz OQMZQSYTPSAETB-UHFFFAOYSA-N 0 0 359.430 2.715 20 10 FFCDRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001546285369 1059091550 /nfs/dbraw/zinc/09/15/50/1059091550.db2.gz UZBVBERGMYIBJO-LLVKDONJSA-N 0 0 363.418 2.882 20 10 FFCDRN O=C(NCc1ccc(O)cc1O)C(F)(F)c1ncccc1Br ZINC001451749476 1059141378 /nfs/dbraw/zinc/14/13/78/1059141378.db2.gz GEGRFBCGISSRJA-UHFFFAOYSA-N 0 0 373.153 2.664 20 10 FFCDRN CC(C)(C)OC(=O)NCC1(C(=O)NCc2ccc(O)cc2O)CCCC1 ZINC001451773388 1059145091 /nfs/dbraw/zinc/14/50/91/1059145091.db2.gz XLXGQKHATZZYLK-UHFFFAOYSA-N 0 0 364.442 2.799 20 10 FFCDRN CCCN1Cc2cccc(NC(=O)C(=O)NCc3c(O)cccc3F)c2C1 ZINC001354550576 1059149346 /nfs/dbraw/zinc/14/93/46/1059149346.db2.gz LKHULBXLSRXUMO-UHFFFAOYSA-N 0 0 371.412 2.512 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(C[C@@H](O)C2CC2)n1C ZINC001520101583 1059393525 /nfs/dbraw/zinc/39/35/25/1059393525.db2.gz GHUNACGPVQNQLD-LJQANCHMSA-N 0 0 369.513 2.755 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cc(=O)[nH]c(C2CC2)n1 ZINC000848226492 1059410977 /nfs/dbraw/zinc/41/09/77/1059410977.db2.gz UERIKCGVRZGLKN-ZDUSSCGKSA-N 0 0 354.454 2.795 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cn(C(C)C)nc1C ZINC000848231547 1059430375 /nfs/dbraw/zinc/43/03/75/1059430375.db2.gz GCRFNODFFBKLIX-UHFFFAOYSA-N 0 0 359.426 2.684 20 10 FFCDRN COC(=O)CC(C)(C)CNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC001354817346 1059532736 /nfs/dbraw/zinc/53/27/36/1059532736.db2.gz BPMUTAIQLKFCTD-UHFFFAOYSA-N 0 0 361.467 2.635 20 10 FFCDRN CC[C@H](O)[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@H]1CCOC1 ZINC001515415008 1059650309 /nfs/dbraw/zinc/65/03/09/1059650309.db2.gz MCQZLTOIADZWIB-UXLLHSPISA-N 0 0 374.485 2.531 20 10 FFCDRN Cc1cc(C(=O)N[C@]2(C(N)=O)CCOC2)c(C)n1-c1cccc(C(C)C)c1 ZINC000848318974 1059732926 /nfs/dbraw/zinc/73/29/26/1059732926.db2.gz DFFNPLLOKXZTRL-OAQYLSRUSA-N 0 0 369.465 2.592 20 10 FFCDRN CC(C)(C)n1ncc(C(=O)NCc2cccc(O)c2O)c1C(F)(F)F ZINC001520502177 1059739303 /nfs/dbraw/zinc/73/93/03/1059739303.db2.gz WFRSZTPPBNLKFU-UHFFFAOYSA-N 0 0 357.332 2.998 20 10 FFCDRN CCOC(=O)[C@@H]1Cc2cc(F)ccc2N(C(=O)/C=C\c2cncc(O)c2)C1 ZINC001455348758 1059765285 /nfs/dbraw/zinc/76/52/85/1059765285.db2.gz XJKYYTGSBGOCLQ-OMVNSRBRSA-N 0 0 370.380 2.708 20 10 FFCDRN Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCc3cc(O)ccc3O)C2)cc1 ZINC001455357435 1059771358 /nfs/dbraw/zinc/77/13/58/1059771358.db2.gz QQBHXZOAHCKBQR-MRXNPFEDSA-N 0 0 368.433 2.575 20 10 FFCDRN COC(=O)[C@H](NC(=O)c1cccc(O)c1O)c1cccc2ccccc21 ZINC001455839120 1059928939 /nfs/dbraw/zinc/92/89/39/1059928939.db2.gz MCPYVECIKVZKFA-QGZVFWFLSA-N 0 0 351.358 2.895 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)NCc2c(O)cccc2O)CC1 ZINC001456326132 1060087815 /nfs/dbraw/zinc/08/78/15/1060087815.db2.gz WVGGBYVFBSJIEL-CYBMUJFWSA-N 0 0 364.442 2.751 20 10 FFCDRN COc1nccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)n1 ZINC001355507260 1060302103 /nfs/dbraw/zinc/30/21/03/1060302103.db2.gz IKUGCQHUYAWMPZ-UHFFFAOYSA-N 0 0 359.341 2.513 20 10 FFCDRN CCc1csc(CC2CCN(C(=O)C(=O)Nc3ccc(N)cc3)CC2)n1 ZINC000848601733 1060333723 /nfs/dbraw/zinc/33/37/23/1060333723.db2.gz HSOAGVBZARJLHN-UHFFFAOYSA-N 0 0 372.494 2.708 20 10 FFCDRN COC[C@]1(C)CN(c2nnc(C3SC=CC3=O)n2CC(C)C)CCO1 ZINC001517458754 1060511483 /nfs/dbraw/zinc/51/14/83/1060511483.db2.gz KZOMQDCPAQDHGZ-KRWDZBQOSA-N 0 0 366.487 2.610 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccn(C)c(=O)c2)CCCC1 ZINC001460155141 1060908412 /nfs/dbraw/zinc/90/84/12/1060908412.db2.gz VKJNGBFRVLURFG-UHFFFAOYSA-N 0 0 365.433 2.866 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)[C@@H]3CNc4ccccc43)C2)cc1 ZINC001521734865 1061098568 /nfs/dbraw/zinc/09/85/68/1061098568.db2.gz FWGHLZRGPXGWJX-DNVCBOLYSA-N 0 0 351.450 2.847 20 10 FFCDRN CCOC(=O)N1CCN(C(=O)Cc2cc(C)n(-c3ccccc3)c2C)CC1 ZINC001522032987 1061485528 /nfs/dbraw/zinc/48/55/28/1061485528.db2.gz QAPMITZOYSGGRJ-UHFFFAOYSA-N 0 0 369.465 2.937 20 10 FFCDRN C[C@H](NC(=O)N1CC[C@@H]1[C@@H]1CCCOC1)c1ccc(N2CCOCC2)cc1 ZINC001527427585 1061493694 /nfs/dbraw/zinc/49/36/94/1061493694.db2.gz XEBVOGMTOHZOML-ILZDJORESA-N 0 0 373.497 2.795 20 10 FFCDRN CCCN1C[C@H](C(=O)NCc2cc(C)n(-c3ccccc3)c2C)CC1=O ZINC001462085721 1061498860 /nfs/dbraw/zinc/49/88/60/1061498860.db2.gz MMMUPHKFFKYDPO-GOSISDBHSA-N 0 0 353.466 2.969 20 10 FFCDRN COC1(C)CN(c2nnc(C3SC=CC3=O)n2Cc2ccccc2)C1 ZINC001522100448 1061547934 /nfs/dbraw/zinc/54/79/34/1061547934.db2.gz FNEKEPNJVDZSRA-UHFFFAOYSA-N 0 0 356.451 2.986 20 10 FFCDRN CC[C@@H]1C[C@H]1C(=O)N[C@H](C)CCNC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001527614624 1061550791 /nfs/dbraw/zinc/55/07/91/1061550791.db2.gz RNBQAOIRHHZLQH-LALPHHSUSA-N 0 0 359.430 2.520 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCc2cccc3c2OCCO3)cc1 ZINC001477443544 1061702088 /nfs/dbraw/zinc/70/20/88/1061702088.db2.gz LIGRYXMORPWZDR-UHFFFAOYSA-N 0 0 355.438 2.566 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H](C)CCSC)CC2)c(OC)c1 ZINC001477958410 1061850973 /nfs/dbraw/zinc/85/09/73/1061850973.db2.gz MUOCJYXXDMVOFJ-CQSZACIVSA-N 0 0 367.515 2.677 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)c1 ZINC001478025868 1061874840 /nfs/dbraw/zinc/87/48/40/1061874840.db2.gz SDLXGPRZTONZKB-YOEHRIQHSA-N 0 0 353.422 2.694 20 10 FFCDRN Cc1nccn1CCn1c(C(C)C)nnc1N(C)Cc1ccccc1O ZINC001492709743 1062177937 /nfs/dbraw/zinc/17/79/37/1062177937.db2.gz SUXKNZOEYITAKJ-UHFFFAOYSA-N 0 0 354.458 2.949 20 10 FFCDRN COc1ccc(CNC(=O)NCc2ccc(C(C)(C)C)[nH]c2=O)c(O)c1 ZINC001479109753 1062232936 /nfs/dbraw/zinc/23/29/36/1062232936.db2.gz VOAGQGKATRURDF-UHFFFAOYSA-N 0 0 359.426 2.798 20 10 FFCDRN O=C(Nc1ccc(-n2nccn2)nc1)c1cc2cc(O)c(O)cc2s1 ZINC001464304981 1062537686 /nfs/dbraw/zinc/53/76/86/1062537686.db2.gz IPESORFLPIGZGI-UHFFFAOYSA-N 0 0 353.363 2.541 20 10 FFCDRN COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(N)c1F ZINC001464526174 1062663875 /nfs/dbraw/zinc/66/38/75/1062663875.db2.gz BZTXNNLCUAHNPF-ZDUSSCGKSA-N 0 0 373.428 2.744 20 10 FFCDRN CC[C@H](CNC(=O)[C@@H]1C[C@H]1CC)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001531511223 1062786918 /nfs/dbraw/zinc/78/69/18/1062786918.db2.gz VLZRFEAWWXQZBA-UXIGCNINSA-N 0 0 359.430 2.520 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc(-c2ccn(C)n2)on1 ZINC001531693334 1062850596 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CC[C@@H](NC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1)c1noc(C)n1 ZINC001468323373 1063965914 /nfs/dbraw/zinc/96/59/14/1063965914.db2.gz UPZFMASLGMJYML-CXAGYDPISA-N 0 0 373.457 2.726 20 10 FFCDRN O=C(NCc1ccc2cccnc2c1O)c1ccc(C(=O)NC2CC2)cc1 ZINC001469251517 1064117802 /nfs/dbraw/zinc/11/78/02/1064117802.db2.gz XSTJXSMLDISMLL-UHFFFAOYSA-N 0 0 361.401 2.763 20 10 FFCDRN C[C@H](CO[C@@H]1CCOC1)NC(=O)N(C)Cc1ccc(N2CCCC2)cc1 ZINC001469355631 1064133874 /nfs/dbraw/zinc/13/38/74/1064133874.db2.gz VAGVPTRFBHNZCZ-VQIMIIECSA-N 0 0 361.486 2.622 20 10 FFCDRN O=C(N[C@H]1CCC2(C1)OCCO2)N(Cc1ccco1)Cc1ccccc1O ZINC001469571037 1064170847 /nfs/dbraw/zinc/17/08/47/1064170847.db2.gz RUAVSPVNUKAKJQ-INIZCTEOSA-N 0 0 372.421 2.993 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](O)C[C@]2(C)CO)c(C)n1-c1cccc(Cl)c1 ZINC001470302533 1064299732 /nfs/dbraw/zinc/29/97/32/1064299732.db2.gz FCXWXJSUYARUSH-VQIMIIECSA-N 0 0 362.857 2.705 20 10 FFCDRN Cn1ncc(C(F)(F)F)c1CNC(=O)c1cc2cc(O)c(O)cc2s1 ZINC001470499010 1064352493 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Cc1ccc(O)c(CNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c1 ZINC001557552912 1075861549 /nfs/dbraw/zinc/86/15/49/1075861549.db2.gz PRQQWFQJDXLYKR-UHFFFAOYSA-N 0 0 366.377 2.784 20 10 FFCDRN COC1(OC)CCOC[C@@H]1NC(=O)c1sccc1-n1c(C)ccc1C ZINC001557586672 1075863768 /nfs/dbraw/zinc/86/37/68/1075863768.db2.gz OTVDSFRREXLYTB-HNNXBMFYSA-N 0 0 364.467 2.663 20 10 FFCDRN COc1c[nH]c(C(=O)NCc2cc(C)n(-c3ccccc3)c2C)cc1=O ZINC001557887197 1075906500 /nfs/dbraw/zinc/90/65/00/1075906500.db2.gz FWJKJFVRMQGPJY-UHFFFAOYSA-N 0 0 351.406 2.721 20 10 FFCDRN O=C(CN1C(=S)N=NC1c1cccs1)N1Cc2cccc(O)c2C1 ZINC001558036448 1075932650 /nfs/dbraw/zinc/93/26/50/1075932650.db2.gz SWZHJKNQFLNNCT-UHFFFAOYSA-N 0 0 358.448 2.543 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1ccn2cc(C(F)(F)F)nc2c1 ZINC001558161469 1075953012 /nfs/dbraw/zinc/95/30/12/1075953012.db2.gz NTGCZBPLOABBCF-UHFFFAOYSA-N 0 0 351.284 2.694 20 10 FFCDRN COc1cc(C(=O)NCc2cccc(O)c2O)ccc1Br ZINC001558162145 1075953844 /nfs/dbraw/zinc/95/38/44/1075953844.db2.gz 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1076275199 /nfs/dbraw/zinc/27/51/99/1076275199.db2.gz WUWOEGRJMRYBTN-HNNXBMFYSA-N 0 0 352.774 2.786 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CN(Cc1cc(F)ccc1O)CCO2 ZINC001561057782 1076326375 /nfs/dbraw/zinc/32/63/75/1076326375.db2.gz XOZIWJRYZVNHOE-IBGZPJMESA-N 0 0 366.433 2.743 20 10 FFCDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1ccccc1O ZINC001561837074 1076431780 /nfs/dbraw/zinc/43/17/80/1076431780.db2.gz BBNTXVWRUDJVFX-LLVKDONJSA-N 0 0 350.396 2.902 20 10 FFCDRN Cc1cncc([N+](=O)[O-])c1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC001562587269 1076505955 /nfs/dbraw/zinc/50/59/55/1076505955.db2.gz XLUBWMLYBIATTI-UHFFFAOYSA-N 0 0 355.398 2.642 20 10 FFCDRN CCOC(=O)c1cnn2ccc(NC(=O)NCc3cc(C)ccc3O)cc12 ZINC001563341551 1076542974 /nfs/dbraw/zinc/54/29/74/1076542974.db2.gz MBWWFJBCXXXTCR-UHFFFAOYSA-N 0 0 368.393 2.847 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2C[C@H]3C[C@@H](C(=O)OC)C[C@H]32)cc1 ZINC001563693568 1076576162 /nfs/dbraw/zinc/57/61/62/1076576162.db2.gz UXVNPYOAMCNOHX-RWQQGDIJSA-N 0 0 373.497 2.920 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3CC[C@@H]4[C@H](C3)C4(F)F)CC2)cc1 ZINC001563891058 1076590594 /nfs/dbraw/zinc/59/05/94/1076590594.db2.gz WGLWQLPVKAVSML-SJORKVTESA-N 0 0 365.424 2.961 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCC[C@H]3C3OCCO3)cc2)CC1 ZINC001563974677 1076596701 /nfs/dbraw/zinc/59/67/01/1076596701.db2.gz FIBCDBOPQMOQCA-IBGZPJMESA-N 0 0 373.497 2.970 20 10 FFCDRN COc1ccc(CNC(=O)N[C@H]2C[C@@]2(C)c2ccccc2OC)c(O)c1 ZINC001564138642 1076608708 /nfs/dbraw/zinc/60/87/08/1076608708.db2.gz NURGTURYBHJYDT-ICSRJNTNSA-N 0 0 356.422 2.939 20 10 FFCDRN CCC(=O)N1CCN(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)C1 ZINC001565162882 1076692626 /nfs/dbraw/zinc/69/26/26/1076692626.db2.gz ZNYOUHGXIXUJCZ-UHFFFAOYSA-N 0 0 368.481 2.858 20 10 FFCDRN CC(=O)Nc1cccc(OCCNC(=O)c2ccc(N=NC(N)=O)cc2)c1 ZINC001565643744 1076749468 /nfs/dbraw/zinc/74/94/68/1076749468.db2.gz ULEYCILGWQLLFO-UHFFFAOYSA-N 0 0 369.381 2.616 20 10 FFCDRN O=C(c1cc2n(n1)CCC[C@H]2O)N(Cc1ccco1)Cc1ccccc1O ZINC001566302828 1076943699 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FFCDRN CCC[C@@H](O)[C@@H](CO)NC(=O)c1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC001570211179 1077191054 /nfs/dbraw/zinc/19/10/54/1077191054.db2.gz POEUXIRHZJRCNJ-WOJBJXKFSA-N 0 0 358.482 2.963 20 10 FFCDRN C[C@@H](Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H](C)c1ccccc1O ZINC001589897843 1080846445 /nfs/dbraw/zinc/84/64/45/1080846445.db2.gz OMVPYIJUSDNOJU-STQMWFEESA-N 0 0 351.410 2.628 20 10 FFCDRN C[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC001589950923 1080894936 /nfs/dbraw/zinc/89/49/36/1080894936.db2.gz YJMIXDKGLFWSHV-MNOVXSKESA-N 0 0 354.370 2.892 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2)C1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589962602 1080906253 /nfs/dbraw/zinc/90/62/53/1080906253.db2.gz HRMNHKHMAMOYHL-LSDHHAIUSA-N 0 0 364.453 2.749 20 10 FFCDRN C[C@H](OC(=O)C=Cc1ccc(O)c(O)c1)c1cccc(-c2nn[nH]n2)c1 ZINC001590006560 1080933251 /nfs/dbraw/zinc/93/32/51/1080933251.db2.gz AAGSNXYOSPJSJH-IOCXFXADSA-N 0 0 352.350 2.596 20 10 FFCDRN COCCCN(C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 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CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 ZINC000093908129 508160104 /nfs/dbraw/zinc/16/01/04/508160104.db2.gz PNCNJPOLRUMFIX-IUODEOHRSA-N 0 0 352.456 2.559 20 10 FFCDRN CCc1cc(N2CCC[C@H](NC(=O)N(C)Cc3ccccc3O)C2)ncn1 ZINC000112509964 508191851 /nfs/dbraw/zinc/19/18/51/508191851.db2.gz HGBLCWLOECQYRU-KRWDZBQOSA-N 0 0 369.469 2.555 20 10 FFCDRN CSc1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)ccn1 ZINC000097029548 508217676 /nfs/dbraw/zinc/21/76/76/508217676.db2.gz FHLOQOVDLDZWKF-UHFFFAOYSA-N 0 0 361.442 2.709 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc1F ZINC000084814766 508294029 /nfs/dbraw/zinc/29/40/29/508294029.db2.gz WDLXMLVFHVVQGO-UHFFFAOYSA-N 0 0 366.396 2.740 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCc3nc(C)cs3)CC2)cc1F ZINC000084850936 508294538 /nfs/dbraw/zinc/29/45/38/508294538.db2.gz SWAZNZIJCBJBRK-UHFFFAOYSA-N 0 0 364.446 2.631 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC[C@](C)(O)c2ccsc2)cc1F ZINC000077800354 508376130 /nfs/dbraw/zinc/37/61/30/508376130.db2.gz 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508568431 /nfs/dbraw/zinc/56/84/31/508568431.db2.gz URMKQUQSGZWWFJ-UHFFFAOYSA-N 0 0 354.366 2.820 20 10 FFCDRN CNc1c(Cl)ncnc1NCc1ccc(N2CCOCC2)c(F)c1 ZINC000136025412 508665735 /nfs/dbraw/zinc/66/57/35/508665735.db2.gz KRCLDKAWMMBUMN-UHFFFAOYSA-N 0 0 351.813 2.760 20 10 FFCDRN CN1CCCc2cc(CNc3ncnc4c3cnn4-c3ncccn3)ccc21 ZINC000119167204 508739737 /nfs/dbraw/zinc/73/97/37/508739737.db2.gz KUOCSQFLXUHGEB-UHFFFAOYSA-N 0 0 372.436 2.600 20 10 FFCDRN Cc1cc(C(=O)N2CCOC3(CCOCC3)C2)c(C)n1-c1ccccn1 ZINC000119369857 508782598 /nfs/dbraw/zinc/78/25/98/508782598.db2.gz DHSGDIUMZZSNHD-UHFFFAOYSA-N 0 0 355.438 2.511 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2CCOC[C@H]2C[C@H](O)c2ccco2)c1O ZINC000159556841 508857832 /nfs/dbraw/zinc/85/78/32/508857832.db2.gz VXLHUZGXVUEROP-WBVHZDCISA-N 0 0 363.385 2.651 20 10 FFCDRN CN(C)c1ccc(/N=N/c2ccccc2C(=O)N2CCNC(=O)C2)cc1 ZINC000131431814 508931125 /nfs/dbraw/zinc/93/11/25/508931125.db2.gz DLOCVUCHGGENBF-QURGRASLSA-N 0 0 351.410 2.740 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Cc3c(C)noc3Cl)CC2)cc1 ZINC000160713506 509023254 /nfs/dbraw/zinc/02/32/54/509023254.db2.gz SZGNANIVFLDEDO-UHFFFAOYSA-N 0 0 363.845 2.926 20 10 FFCDRN CC[C@@H]1CCCCN1C(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000125754193 509025865 /nfs/dbraw/zinc/02/58/65/509025865.db2.gz PCPIAEKCMCHMNL-CQSZACIVSA-N 0 0 350.459 2.940 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1cc(F)ccc1OC ZINC000125783336 509029118 /nfs/dbraw/zinc/02/91/18/509029118.db2.gz OXIINQZHFYAEMP-UHFFFAOYSA-N 0 0 360.385 2.917 20 10 FFCDRN CCN(C(C)=O)c1nc(CN2CCOc3cc(N(C)C)ccc32)cs1 ZINC000120681788 509044483 /nfs/dbraw/zinc/04/44/83/509044483.db2.gz KPRUZESPULKGLQ-UHFFFAOYSA-N 0 0 360.483 2.981 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000156218056 509146341 /nfs/dbraw/zinc/14/63/41/509146341.db2.gz XEJOTBJAVPQJSA-UHFFFAOYSA-N 0 0 353.465 2.910 20 10 FFCDRN COc1cc(N2CCN(C(=O)C(C3CC3)C3CC3)CC2)cc(OC)c1OC ZINC000185496380 509205309 /nfs/dbraw/zinc/20/53/09/509205309.db2.gz MDESUCNMFFHMES-UHFFFAOYSA-N 0 0 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O=C(CCCCCC(=O)NCc1ccccc1O)NCc1ccccc1O ZINC000264276552 509429470 /nfs/dbraw/zinc/42/94/70/509429470.db2.gz PCTILSYAWCYKKG-UHFFFAOYSA-N 0 0 370.449 2.981 20 10 FFCDRN CCOc1ccc(OCC(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000173191808 509446841 /nfs/dbraw/zinc/44/68/41/509446841.db2.gz UUOHWAULDAZXKM-UHFFFAOYSA-N 0 0 356.422 2.956 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1nc(C(C)(C)C)no1 ZINC000173195819 509449589 /nfs/dbraw/zinc/44/95/89/509449589.db2.gz XJQAKCIBDWCDRU-UHFFFAOYSA-N 0 0 358.442 2.791 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC000173204161 509453547 /nfs/dbraw/zinc/45/35/47/509453547.db2.gz SHKVETZMAZMRCA-UHFFFAOYSA-N 0 0 367.365 2.576 20 10 FFCDRN COc1ccc2c(c1)C(=O)N(C1CC1)[C@@H](c1cc3c(cc1O)OCO3)N2 ZINC000264398670 509503883 /nfs/dbraw/zinc/50/38/83/509503883.db2.gz GLICRKJBURMIIO-SFHVURJKSA-N 0 0 354.362 2.858 20 10 FFCDRN CC(=O)N1CCN(c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)CC1 ZINC000189329361 509523909 /nfs/dbraw/zinc/52/39/09/509523909.db2.gz LJBGWBBWUJRBOD-UHFFFAOYSA-N 0 0 359.376 2.886 20 10 FFCDRN COCCN(C[C@@H](O)COc1ccccc1)c1ccc(OC)c(OC)c1 ZINC000267566273 509543318 /nfs/dbraw/zinc/54/33/18/509543318.db2.gz CABQBDZQBIHJBZ-QGZVFWFLSA-N 0 0 361.438 2.597 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1ccc(OCC(N)=O)cc1 ZINC000264494961 509562219 /nfs/dbraw/zinc/56/22/19/509562219.db2.gz FHOWJDCWMYXUHE-UHFFFAOYSA-N 0 0 357.410 2.700 20 10 FFCDRN Cc1ccc(C(N)=O)cc1NC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000183052034 509568024 /nfs/dbraw/zinc/56/80/24/509568024.db2.gz ZIFAGGYEHPNXMH-UHFFFAOYSA-N 0 0 354.410 2.591 20 10 FFCDRN O=C(NC[C@@H](O)C1CC1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000267653737 509584763 /nfs/dbraw/zinc/58/47/63/509584763.db2.gz BBVGSUMMUGBTAH-DUPNKOKHSA-N 0 0 352.394 2.928 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)c1nc2ccccc2c(=O)[nH]1 ZINC000264635094 509619793 /nfs/dbraw/zinc/61/97/93/509619793.db2.gz LMNBBJHIHATJFF-UHFFFAOYSA-N 0 0 350.422 2.808 20 10 FFCDRN COc1ccc(C(=O)C2CCN(C(=O)Cc3ccc(N)cc3)CC2)cc1 ZINC000237425331 509643003 /nfs/dbraw/zinc/64/30/03/509643003.db2.gz RVQFSXIWUNVPQJ-UHFFFAOYSA-N 0 0 352.434 2.941 20 10 FFCDRN Nc1ccc(CC(=O)N[C@@H]2CCCN(Cc3c(F)cccc3F)C2)cc1 ZINC000168590743 509648796 /nfs/dbraw/zinc/64/87/96/509648796.db2.gz ZYULACBEKDYYOZ-MRXNPFEDSA-N 0 0 359.420 2.870 20 10 FFCDRN Cc1ccc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)c(Br)n1 ZINC000186398257 509689013 /nfs/dbraw/zinc/68/90/13/509689013.db2.gz DWVKRMVUEFQRDE-SNVBAGLBSA-N 0 0 365.227 2.925 20 10 FFCDRN CN(CCCOc1cccc(S(C)(=O)=O)c1)Cc1cc(F)ccc1O ZINC000179994995 509703455 /nfs/dbraw/zinc/70/34/55/509703455.db2.gz IQXPSUHMIICHOG-UHFFFAOYSA-N 0 0 367.442 2.836 20 10 FFCDRN O=C(/C=C/c1ccc(O)cc1)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000180037068 509721132 /nfs/dbraw/zinc/72/11/32/509721132.db2.gz GDXPXUYIHPTLQC-BJMVGYQFSA-N 0 0 366.461 2.931 20 10 FFCDRN Cc1sc2ncc(C(=O)NCc3ccc(N(C)C)c(F)c3)c(=O)n2c1C ZINC000180096911 509749428 /nfs/dbraw/zinc/74/94/28/509749428.db2.gz HLUVDNFDASAFHX-UHFFFAOYSA-N 0 0 374.441 2.508 20 10 FFCDRN O=C(CCc1ccc(O)cc1)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000180097636 509749756 /nfs/dbraw/zinc/74/97/56/509749756.db2.gz YJGZFPWXDMCTLG-UHFFFAOYSA-N 0 0 372.440 2.741 20 10 FFCDRN CN(CCNC(=O)NCc1ccc(N2CCCC2)cc1)CC(F)(F)F ZINC000264887165 509758327 /nfs/dbraw/zinc/75/83/27/509758327.db2.gz ZMOQXKUJPYESHA-UHFFFAOYSA-N 0 0 358.408 2.580 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 ZINC000237945771 509781560 /nfs/dbraw/zinc/78/15/60/509781560.db2.gz ZEICZBMBEGMDGP-MRXNPFEDSA-N 0 0 357.479 2.684 20 10 FFCDRN CC(C)C(=O)N1CCC(NC(=O)NCc2c(O)ccc3c2CCCC3)CC1 ZINC000173920814 509855242 /nfs/dbraw/zinc/85/52/42/509855242.db2.gz NVNPVYCTCFZTSG-UHFFFAOYSA-N 0 0 373.497 2.717 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)[C@H]1COCCN1C1CCCC1 ZINC000193373909 509885525 /nfs/dbraw/zinc/88/55/25/509885525.db2.gz HIGCCKVKEYLHMC-HXUWFJFHSA-N 0 0 357.498 2.546 20 10 FFCDRN COC(=O)CCCCCCCNC(=O)NCc1cccc(OC)c1O ZINC000268466291 509948680 /nfs/dbraw/zinc/94/86/80/509948680.db2.gz WPPLUSHSPJQELM-UHFFFAOYSA-N 0 0 352.431 2.714 20 10 FFCDRN Cc1cc(Br)cc(CN(CCS(C)(=O)=O)C(C)C)c1O ZINC000180499618 509957322 /nfs/dbraw/zinc/95/73/22/509957322.db2.gz VLLZBWDZGLYTEB-UHFFFAOYSA-N 0 0 364.305 2.718 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)NCC1(CCO)CCCC1 ZINC000268556970 510007711 /nfs/dbraw/zinc/00/77/11/510007711.db2.gz FNUAQBMSFFZMPC-VMPITWQZSA-N 0 0 358.482 2.595 20 10 FFCDRN CCCNC(=O)c1cccc(NC(=O)NCCc2ccc(O)c(O)c2)c1 ZINC000268632069 510045269 /nfs/dbraw/zinc/04/52/69/510045269.db2.gz WGWHYKQSZNFJMA-UHFFFAOYSA-N 0 0 357.410 2.602 20 10 FFCDRN COC(=O)[C@@H]1CCN(Cc2ccc(N3CCCCC3)cc2)[C@H](C(=O)OC)C1 ZINC000180832268 510134419 /nfs/dbraw/zinc/13/44/19/510134419.db2.gz IQEVSPRSZJTANT-MJGOQNOKSA-N 0 0 374.481 2.604 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCCc2cccnc21 ZINC000194076155 510205169 /nfs/dbraw/zinc/20/51/69/510205169.db2.gz MLJVRUQIWMBYHE-QGZVFWFLSA-N 0 0 369.440 2.794 20 10 FFCDRN COc1cc(OC)c(OC)cc1/C=C/C(=O)NCc1cccc(OC)c1O ZINC000269197266 510286372 /nfs/dbraw/zinc/28/63/72/510286372.db2.gz QEHBOHDFTHMVDY-CMDGGOBGSA-N 0 0 373.405 2.756 20 10 FFCDRN CN(C)C(=O)C[C@@H]1CN(C(=O)/C=C/c2cnccn2)c2ccc(Cl)cc21 ZINC000265947340 510317245 /nfs/dbraw/zinc/31/72/45/510317245.db2.gz KCAZLGWTILLMCD-DIECRNLCSA-N 0 0 370.840 2.752 20 10 FFCDRN COc1cccc(CNC(=O)NCc2cc3c(cc2OC)C[C@H](C)O3)c1O ZINC000269466318 510420604 /nfs/dbraw/zinc/42/06/04/510420604.db2.gz FGPWCGWWVNWUFM-LBPRGKRZSA-N 0 0 372.421 2.732 20 10 FFCDRN Cc1cc(C(=O)NCCc2ccc(O)c(O)c2)c2cnn(C(C)C)c2n1 ZINC000269511187 510442253 /nfs/dbraw/zinc/44/22/53/510442253.db2.gz WUOXBJMBMOJOCY-UHFFFAOYSA-N 0 0 354.410 2.704 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCOC2(CCSCC2)C1 ZINC000269510527 510442298 /nfs/dbraw/zinc/44/22/98/510442298.db2.gz ONYDMYZBWOOPFO-OAHLLOKOSA-N 0 0 350.484 2.978 20 10 FFCDRN COc1cc(Cl)cc(CN2CCC[C@H]2C(=O)NCc2ccco2)c1O ZINC000184678229 510456684 /nfs/dbraw/zinc/45/66/84/510456684.db2.gz NJQGKYZZNBLOJM-HNNXBMFYSA-N 0 0 364.829 2.928 20 10 FFCDRN C[C@@H](NC(=O)C1CCCC1)C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000269841261 510567151 /nfs/dbraw/zinc/56/71/51/510567151.db2.gz RNYOCCHNIYNPFO-QAPCUYQASA-N 0 0 374.481 2.595 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCC[C@@H]1CCCCO1 ZINC000181835605 510618333 /nfs/dbraw/zinc/61/83/33/510618333.db2.gz FUJZNPPBXAUQGC-IBGZPJMESA-N 0 0 361.486 2.624 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccn(CC(=O)N(C)C)n1 ZINC000263668810 510778487 /nfs/dbraw/zinc/77/84/87/510778487.db2.gz DZNJQLIFTDCFAR-UHFFFAOYSA-N 0 0 371.466 2.693 20 10 FFCDRN CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])c1 ZINC000185322576 510807161 /nfs/dbraw/zinc/80/71/61/510807161.db2.gz OFIROCGHLVIYRN-VXGBXAGGSA-N 0 0 352.431 2.851 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCc3ccc(O)c(F)c3)CC2)cc1 ZINC000172626456 510828087 /nfs/dbraw/zinc/82/80/87/510828087.db2.gz LRWBLYCRTDMKOT-UHFFFAOYSA-N 0 0 373.428 2.962 20 10 FFCDRN CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)Cc2ccccc21 ZINC000270467414 510878725 /nfs/dbraw/zinc/87/87/25/510878725.db2.gz BAOHFOQWNFYHSU-UHFFFAOYSA-N 0 0 374.462 2.697 20 10 FFCDRN O=C(Cc1cnccc1Cl)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000293893972 510889366 /nfs/dbraw/zinc/88/93/66/510889366.db2.gz ZYHZVCZSBMTHAC-UHFFFAOYSA-N 0 0 363.820 2.570 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCC(C)CC2)cc1)c1ncn(C)n1 ZINC000275600367 510907268 /nfs/dbraw/zinc/90/72/68/510907268.db2.gz DRSALAIIPASJIM-HNNXBMFYSA-N 0 0 356.474 2.612 20 10 FFCDRN COc1ccc(OC)c(CCCNC(=O)NCc2cccc(OC)c2O)c1 ZINC000270578238 510912822 /nfs/dbraw/zinc/91/28/22/510912822.db2.gz WKOSSJBUNBKXQB-UHFFFAOYSA-N 0 0 374.437 2.850 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3ncnc4sccc43)cc2)CC1 ZINC000276273119 510932034 /nfs/dbraw/zinc/93/20/34/510932034.db2.gz HGLXHKDPHFKLLW-UHFFFAOYSA-N 0 0 367.478 2.972 20 10 FFCDRN CC[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1[O-] ZINC000285513091 510936797 /nfs/dbraw/zinc/93/67/97/510936797.db2.gz DKEJWBBBNXXEBD-GOSISDBHSA-N 0 0 373.476 2.574 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3OC)CC2)cc1 ZINC000277127849 510954768 /nfs/dbraw/zinc/95/47/68/510954768.db2.gz SSDCAMDWVDYCKB-UHFFFAOYSA-N 0 0 371.393 2.574 20 10 FFCDRN Cc1nn(C)c(C)c1CNC(=O)NCc1cccc(Br)c1O ZINC000277275058 510958268 /nfs/dbraw/zinc/95/82/68/510958268.db2.gz ALWDKLGYTURUCL-UHFFFAOYSA-N 0 0 367.247 2.504 20 10 FFCDRN CCCC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Br)c1O ZINC000277387579 510962380 /nfs/dbraw/zinc/96/23/80/510962380.db2.gz AHAGTLFMCCGXKH-CYBMUJFWSA-N 0 0 369.259 2.562 20 10 FFCDRN CC/C=C(\C)c1nc(CC(=O)N2CCN(c3ccc(OC)cc3)CC2)no1 ZINC000277781875 510972283 /nfs/dbraw/zinc/97/22/83/510972283.db2.gz DHKLPWMYNUHFFZ-PJQLUOCWSA-N 0 0 370.453 2.783 20 10 FFCDRN CCNC(=O)C1(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)CCC1 ZINC000277891313 510976399 /nfs/dbraw/zinc/97/63/99/510976399.db2.gz PTVHPEULSZHXCT-UHFFFAOYSA-N 0 0 354.454 2.525 20 10 FFCDRN CN(C(=O)c1cn(C)nc1-c1cnn(C)c1)c1ccc(-c2ccccc2)nn1 ZINC000364639271 510986636 /nfs/dbraw/zinc/98/66/36/510986636.db2.gz UVBBBBKNHXCGHZ-UHFFFAOYSA-N 0 0 373.420 2.554 20 10 FFCDRN COC(C)(C)CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000278299733 510988107 /nfs/dbraw/zinc/98/81/07/510988107.db2.gz SCEWOLFIVBLTBX-KBPBESRZSA-N 0 0 352.450 2.871 20 10 FFCDRN CN(C)c1ccc(CNC(=O)Nc2nnc(C3CCOCC3)s2)cc1 ZINC000297563855 510993236 /nfs/dbraw/zinc/99/32/36/510993236.db2.gz XSTFUSPLQMQDAY-UHFFFAOYSA-N 0 0 361.471 2.820 20 10 FFCDRN C[C@@H]1CN(C(=O)NCc2ccc3c(c2)CCCN3C)CC2(CCOCC2)O1 ZINC000279266401 511023646 /nfs/dbraw/zinc/02/36/46/511023646.db2.gz JYEXZQGSPQPBIX-MRXNPFEDSA-N 0 0 373.497 2.549 20 10 FFCDRN C[C@](O)(C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000286404544 511024433 /nfs/dbraw/zinc/02/44/33/511024433.db2.gz UMROXNRXFGFTBZ-FZKQIMNGSA-N 0 0 354.397 2.534 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000282599910 511040476 /nfs/dbraw/zinc/04/04/76/511040476.db2.gz XYQZKCCLTHPLSM-UHFFFAOYSA-N 0 0 365.437 2.739 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccncc1C ZINC000287502069 511051497 /nfs/dbraw/zinc/05/14/97/511051497.db2.gz KOELCAMKLUUURH-UHFFFAOYSA-N 0 0 369.465 2.583 20 10 FFCDRN CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cccc(Cl)c1[O-] ZINC000287592333 511053161 /nfs/dbraw/zinc/05/31/61/511053161.db2.gz ICUFSDJINLTEOV-FZMZJTMJSA-N 0 0 350.850 2.839 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)NCCC1(O)CCC1 ZINC000287680098 511055372 /nfs/dbraw/zinc/05/53/72/511055372.db2.gz CAYFSIMOPZZLGG-UHFFFAOYSA-N 0 0 371.275 2.991 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cn(CCOC)c(C)cc1=O ZINC000288012508 511062789 /nfs/dbraw/zinc/06/27/89/511062789.db2.gz YEDCRUFPUNXCPY-UHFFFAOYSA-N 0 0 372.465 2.951 20 10 FFCDRN COc1ccc(N2CCN(c3ccc(S(C)(=O)=O)cc3F)CC2)cc1 ZINC000288037312 511063707 /nfs/dbraw/zinc/06/37/07/511063707.db2.gz DGJUZWDNZXMWBH-UHFFFAOYSA-N 0 0 364.442 2.564 20 10 FFCDRN CS(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)cc2)c(F)c1 ZINC000288110900 511065005 /nfs/dbraw/zinc/06/50/05/511065005.db2.gz KSTSUKJGLWWRJW-UHFFFAOYSA-N 0 0 364.442 2.678 20 10 FFCDRN COc1cc(O)c(CN(C)Cc2nccn2CC(F)(F)F)cc1OC ZINC000271107435 511084795 /nfs/dbraw/zinc/08/47/95/511084795.db2.gz SIESWUWYGGZHDV-UHFFFAOYSA-N 0 0 359.348 2.800 20 10 FFCDRN CS[C@@H]1CCC[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000288803872 511086824 /nfs/dbraw/zinc/08/68/24/511086824.db2.gz ZFORXXFYFLKBNR-NVXWUHKLSA-N 0 0 363.527 2.501 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000289603442 511106449 /nfs/dbraw/zinc/10/64/49/511106449.db2.gz SYHFYFIHHLHDMK-YSIASYRMSA-N 0 0 358.482 2.687 20 10 FFCDRN C[C@H]1CN(c2ccc(CNC(=O)c3cnn4c3CCC4)cc2F)C[C@H](C)O1 ZINC000294573799 511107607 /nfs/dbraw/zinc/10/76/07/511107607.db2.gz UQQLJEDPFBJMJN-KBPBESRZSA-N 0 0 372.444 2.512 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3nccnc3C(F)F)cc2)CC1 ZINC000289739871 511112418 /nfs/dbraw/zinc/11/24/18/511112418.db2.gz UBSXPQPNRDCDRQ-UHFFFAOYSA-N 0 0 361.396 2.695 20 10 FFCDRN Cc1cnn([C@H]2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)c1 ZINC000290649764 511147445 /nfs/dbraw/zinc/14/74/45/511147445.db2.gz FJRGWYLPZHSXGC-IBGZPJMESA-N 0 0 351.454 2.724 20 10 FFCDRN Cc1cnn([C@H]2CCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)c1 ZINC000290659195 511147788 /nfs/dbraw/zinc/14/77/88/511147788.db2.gz JMKZJOPCHBRNRK-IBGZPJMESA-N 0 0 353.470 2.948 20 10 FFCDRN C[C@H]1CN(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCC1(F)F ZINC000290712768 511148719 /nfs/dbraw/zinc/14/87/19/511148719.db2.gz LRYFDOYMMJXQFM-ZDUSSCGKSA-N 0 0 371.403 2.849 20 10 FFCDRN O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1c(F)ccc(O)c1O ZINC000294704419 511149136 /nfs/dbraw/zinc/14/91/36/511149136.db2.gz AZNZTHSVHZAXRK-UHFFFAOYSA-N 0 0 372.396 2.793 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N[C@H](CO)c1ccc(F)cc1 ZINC000271303497 511156699 /nfs/dbraw/zinc/15/66/99/511156699.db2.gz KVBCBBBFVOUHKE-CHIDQSDUSA-N 0 0 370.424 2.525 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)O[C@@]2(CCCOC2)C1 ZINC000332976061 511166260 /nfs/dbraw/zinc/16/62/60/511166260.db2.gz LEWJUIFAYNHJGS-VFNWGFHPSA-N 0 0 371.481 2.966 20 10 FFCDRN COC[C@@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)[C@@H]1CCCO1 ZINC000279718394 511188154 /nfs/dbraw/zinc/18/81/54/511188154.db2.gz LKDXCGRLOYAFNC-MOPGFXCFSA-N 0 0 361.486 2.621 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C[C@@H]1Oc2ccccc2NC1=O ZINC000298167351 511196707 /nfs/dbraw/zinc/19/67/07/511196707.db2.gz XAPOYIWFXQQCKA-IBGZPJMESA-N 0 0 367.449 2.891 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1cnc(C2OCCO2)s1 ZINC000283042829 511212081 /nfs/dbraw/zinc/21/20/81/511212081.db2.gz NOROTNZDXYPFFM-UHFFFAOYSA-N 0 0 359.451 2.719 20 10 FFCDRN Clc1ccc(C2=CCN(c3cc(N4CCOCC4)ncn3)CC2)cn1 ZINC000365031962 511217279 /nfs/dbraw/zinc/21/72/79/511217279.db2.gz ZGHAYCHPPJBEIL-UHFFFAOYSA-N 0 0 357.845 2.655 20 10 FFCDRN COC(=O)CN(Cc1ncnn1C(C)(C)C)Cc1cc(Cl)ccc1O ZINC000283157262 511257182 /nfs/dbraw/zinc/25/71/82/511257182.db2.gz OUYMZLZLJXDVNI-UHFFFAOYSA-N 0 0 366.849 2.567 20 10 FFCDRN Cn1cc(NC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)cn1 ZINC000365115961 511265564 /nfs/dbraw/zinc/26/55/64/511265564.db2.gz 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CC[C@@]1(C(=O)NCc2ccc(O)c(O)c2)CCN(C(=O)OC(C)(C)C)C1 ZINC000378508554 512797453 /nfs/dbraw/zinc/79/74/53/512797453.db2.gz QIVWUYDIYSTMNE-LJQANCHMSA-N 0 0 364.442 2.751 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H](C)C(=O)NC(C)C)ccc21 ZINC000412854706 513305040 /nfs/dbraw/zinc/30/50/40/513305040.db2.gz KPYGOOIXLSJOJZ-AWEZNQCLSA-N 0 0 359.470 2.547 20 10 FFCDRN CO[C@@H](C)c1noc(CCC(=O)NCc2c(C)c3ccccc3n2C)n1 ZINC000471227135 514805015 /nfs/dbraw/zinc/80/50/15/514805015.db2.gz IGVFGSZKFXQMLZ-ZDUSSCGKSA-N 0 0 356.426 2.826 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CNC(=O)c1ccc(F)cc1F ZINC000473266003 515556108 /nfs/dbraw/zinc/55/61/08/515556108.db2.gz ZQTSEAVWKOJKLL-UHFFFAOYSA-N 0 0 371.387 2.811 20 10 FFCDRN CCOC(=O)c1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000463955375 515670979 /nfs/dbraw/zinc/67/09/79/515670979.db2.gz RSZOBURVMGXXKY-UHFFFAOYSA-N 0 0 354.406 2.969 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@]3(CCOC)CCOC3)ccc21 ZINC000487481880 515875165 /nfs/dbraw/zinc/87/51/65/515875165.db2.gz RNZWGPQRGZXOGM-OAQYLSRUSA-N 0 0 374.481 2.830 20 10 FFCDRN CC[C@H](C)NC(=O)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000483464562 516100892 /nfs/dbraw/zinc/10/08/92/516100892.db2.gz MWYBMTCMRNJTRY-AWEZNQCLSA-N 0 0 373.497 2.939 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)c(C)c(C)n3CCOC)[C@@H]1OC ZINC000460490966 516167422 /nfs/dbraw/zinc/16/74/22/516167422.db2.gz MSMPLLWSVQYFFP-RLLQIKCJSA-N 0 0 374.481 2.827 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N[C@H]1CCCc2occc21 ZINC000550901765 516474884 /nfs/dbraw/zinc/47/48/84/516474884.db2.gz AUSHDPHYQIJMAT-INIZCTEOSA-N 0 0 365.433 2.890 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)Cn1cncc1C ZINC000528833082 516737987 /nfs/dbraw/zinc/73/79/87/516737987.db2.gz QSYLALFQOKZOSF-UHFFFAOYSA-N 0 0 352.232 2.708 20 10 FFCDRN C[C@H]1CN(C)c2ccccc2N(C(=O)c2cn(C)nc2-c2cnn(C)c2)C1 ZINC000527326001 517641752 /nfs/dbraw/zinc/64/17/52/517641752.db2.gz NNCOURVXKFQURN-AWEZNQCLSA-N 0 0 364.453 2.553 20 10 FFCDRN C[C@H]([NH2+]C[C@@H](O)[C@@H]1CCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000527958384 518011753 /nfs/dbraw/zinc/01/17/53/518011753.db2.gz VPUJVFOIYLXJTQ-CKLFPEKLSA-N 0 0 364.667 2.999 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N1CCS[C@@H](C(C)C)C1 ZINC000564003031 518265673 /nfs/dbraw/zinc/26/56/73/518265673.db2.gz KGLQHEQLRCKKKY-GOSISDBHSA-N 0 0 373.522 2.703 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cc1ccccc1S(C)(=O)=O ZINC000581658001 518394815 /nfs/dbraw/zinc/39/48/15/518394815.db2.gz DXRISSDCCMLQOS-UHFFFAOYSA-N 0 0 370.474 2.749 20 10 FFCDRN CCCN1CCN(C(=O)c2ccnc3c2CC(=O)N3)c2ccc(F)cc21 ZINC000613917610 520726098 /nfs/dbraw/zinc/72/60/98/520726098.db2.gz GZSXWOQLDBRLHN-UHFFFAOYSA-N 0 0 354.385 2.592 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](O)C(F)(F)C3)ccc21 ZINC000617813447 520732123 /nfs/dbraw/zinc/73/21/23/520732123.db2.gz IUQHHQXDYXLDHF-KRWDZBQOSA-N 0 0 366.408 2.747 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@@H](O)C(F)(F)C3)ccc21 ZINC000617813448 520732876 /nfs/dbraw/zinc/73/28/76/520732876.db2.gz IUQHHQXDYXLDHF-QGZVFWFLSA-N 0 0 366.408 2.747 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N(C)Cc3nnc(C)o3)ccc21 ZINC000618067556 520863992 /nfs/dbraw/zinc/86/39/92/520863992.db2.gz KJUUAEMDWHQLHC-UHFFFAOYSA-N 0 0 356.426 2.868 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCC[C@H](O)C(F)F)ccc21 ZINC000633997256 523123951 /nfs/dbraw/zinc/12/39/51/523123951.db2.gz AQVVCFFXAORUIY-INIZCTEOSA-N 0 0 354.397 2.650 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737269274 599104929 /nfs/dbraw/zinc/10/49/29/599104929.db2.gz BJZGJKKKYKSKFE-UHFFFAOYSA-N 0 0 351.414 2.563 20 10 FFCDRN CCN(CC)c1ccc(CNc2nnc(C)c(C)c2-c2nn[nH]n2)cc1F ZINC000736533299 598556349 /nfs/dbraw/zinc/55/63/49/598556349.db2.gz YANJZXQZKDVSNW-UHFFFAOYSA-N 0 0 370.436 2.871 20 10 FFCDRN COc1ccc(O)c([C@@H](C)Nc2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)c1 ZINC000737104910 598756276 /nfs/dbraw/zinc/75/62/76/598756276.db2.gz AZCCARNRLUZJDY-SECBINFHSA-N 0 0 356.342 2.662 20 10 FFCDRN COc1ccc(N2CCN(c3c(Cl)cccc3-c3nn[nH]n3)CC2)cc1 ZINC000821831871 599465700 /nfs/dbraw/zinc/46/57/00/599465700.db2.gz QKJKDSCGUIDGKU-UHFFFAOYSA-N 0 0 370.844 2.855 20 10 FFCDRN CC(C)CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)C1=CC(=O)CS1 ZINC000735831692 599494050 /nfs/dbraw/zinc/49/40/50/599494050.db2.gz SWURYMUGTNYICW-UHFFFAOYSA-N 0 0 357.439 2.932 20 10 FFCDRN COc1ccccc1[C@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)NC(=O)[O-] ZINC000739965048 602875116 /nfs/dbraw/zinc/87/51/16/602875116.db2.gz VFHDGRDSPJIEMX-INIZCTEOSA-N 0 0 361.417 2.999 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCC[C@H]1CNC(=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000825473513 604371956 /nfs/dbraw/zinc/37/19/56/604371956.db2.gz RHTNHPOFQGFLOQ-QRTARXTBSA-N 0 0 365.449 2.749 20 10 FFCDRN C[NH+](C)CCN(Cc1ccccn1)c1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000830609183 604811388 /nfs/dbraw/zinc/81/13/88/604811388.db2.gz XGCLVVITZVXVBY-CLFYSBASSA-N 0 0 370.409 2.656 20 10 FFCDRN CN(C)c1ccc(C[N@H+](CC(=O)NC2(C(=O)[O-])CCCCC2)C2CC2)cc1 ZINC000830635873 604967834 /nfs/dbraw/zinc/96/78/34/604967834.db2.gz TUZMWRPKQOYSPL-UHFFFAOYSA-N 0 0 373.497 2.621 20 10 FFCDRN C[C@H](C[C@H]1CCCN1C(=O)[O-])[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000824767389 605490786 /nfs/dbraw/zinc/49/07/86/605490786.db2.gz HYBGTVRISRTIEG-GDBMZVCRSA-N 0 0 365.449 2.673 20 10 FFCDRN CN(C)C(=O)CC1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000833687298 605787414 /nfs/dbraw/zinc/78/74/14/605787414.db2.gz DEABYXZCPODVPO-UHFFFAOYSA-N 0 0 370.449 2.934 20 10 FFCDRN Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822210950 606712942 /nfs/dbraw/zinc/71/29/42/606712942.db2.gz YIDHKZWLQYTASP-UHFFFAOYSA-N 0 0 373.438 2.805 20 10 FFCDRN Oc1ccc(Cl)cc1CN1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511193 608854632 /nfs/dbraw/zinc/85/46/32/608854632.db2.gz GLWXTMSXJKVMSK-QGZVFWFLSA-N 0 0 371.828 2.799 20 10 FFCDRN Cc1c(NCc2ccc(N3CCOCC3)cc2)cccc1-c1nn[nH]n1 ZINC000826242435 609485785 /nfs/dbraw/zinc/48/57/85/609485785.db2.gz OKJMDIWNVPJNQM-UHFFFAOYSA-N 0 0 350.426 2.624 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1cc(=O)[nH]c2ccccc12 ZINC000154421544 728804258 /nfs/dbraw/zinc/80/42/58/728804258.db2.gz RXQLIZRORSPJDR-UHFFFAOYSA-N 0 0 374.491 2.966 20 10 FFCDRN Cc1cccc([C@@H](C)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)c1 ZINC000157210073 728868247 /nfs/dbraw/zinc/86/82/47/728868247.db2.gz AVHUJUMEHCMSLG-ZDUSSCGKSA-N 0 0 362.451 2.606 20 10 FFCDRN COc1cc(Br)cc(CN[C@@H](C)C(=O)OC(C)(C)C)c1O ZINC000158060750 728881755 /nfs/dbraw/zinc/88/17/55/728881755.db2.gz VBVBILGBKCSDLN-VIFPVBQESA-N 0 0 360.248 2.983 20 10 FFCDRN COC(=O)C1CCN(Cc2cc(Br)cc(OC)c2O)CC1 ZINC000159186130 728902189 /nfs/dbraw/zinc/90/21/89/728902189.db2.gz ZSWUFLXRHVKZJU-UHFFFAOYSA-N 0 0 358.232 2.548 20 10 FFCDRN Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)N(C)Cc1ccccc1O ZINC000159625711 728909719 /nfs/dbraw/zinc/90/97/19/728909719.db2.gz MFMOSXCZDJAGJU-UHFFFAOYSA-N 0 0 350.396 2.738 20 10 FFCDRN COC(=O)CN(Cc1cnc2ccccn12)Cc1cc(Cl)ccc1O ZINC000160305437 728920120 /nfs/dbraw/zinc/92/01/20/728920120.db2.gz JTFQLBKXICXHGY-UHFFFAOYSA-N 0 0 359.813 2.869 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)nc2)c1 ZINC000161162862 728929779 /nfs/dbraw/zinc/92/97/79/728929779.db2.gz VTNQQMGWMONDNR-JTQLQIEISA-N 0 0 356.831 2.630 20 10 FFCDRN O=S(=O)([N-]c1ccc(-c2csnn2)cc1)c1cccc2nonc21 ZINC000162195944 728940513 /nfs/dbraw/zinc/94/05/13/728940513.db2.gz QAUYXIHEUNGAGV-UHFFFAOYSA-N 0 0 359.392 2.542 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000007146407 727790350 /nfs/dbraw/zinc/79/03/50/727790350.db2.gz OAPGMUXRJVISNA-UHFFFAOYSA-N 0 0 358.385 2.991 20 10 FFCDRN COc1ccc(N2CCN(S(=O)(=O)c3cc(C)sc3C)CC2)cc1 ZINC000047982679 728040816 /nfs/dbraw/zinc/04/08/16/728040816.db2.gz RIWIBRHBMLQASZ-UHFFFAOYSA-N 0 0 366.508 2.884 20 10 FFCDRN O=S(=O)(NCc1ccc(N2CCSCC2)cc1)c1cccs1 ZINC000056101993 728100722 /nfs/dbraw/zinc/10/07/22/728100722.db2.gz ZOQFLMGTAXOOMJ-UHFFFAOYSA-N 0 0 354.522 2.780 20 10 FFCDRN CCCCC(=O)N1CSC[C@H]1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000076196281 728256744 /nfs/dbraw/zinc/25/67/44/728256744.db2.gz UPAODIFGCOXZRV-KRWDZBQOSA-N 0 0 363.527 2.803 20 10 FFCDRN CN1CCCc2cc(CNC(=O)CSCC(=O)OC(C)(C)C)ccc21 ZINC000078099158 728291317 /nfs/dbraw/zinc/29/13/17/728291317.db2.gz WUZLZWXOUNNHHY-UHFFFAOYSA-N 0 0 364.511 2.760 20 10 FFCDRN O=C(NCCCSc1nccs1)c1ccccc1Cn1cncn1 ZINC000080245273 728323879 /nfs/dbraw/zinc/32/38/79/728323879.db2.gz KRXVUANBOZOCHS-UHFFFAOYSA-N 0 0 359.480 2.695 20 10 FFCDRN Cn1nnnc1-c1cccc(NCc2cccc(Br)c2O)c1 ZINC000098039196 728484160 /nfs/dbraw/zinc/48/41/60/728484160.db2.gz OTUSWGLGOJTQJP-UHFFFAOYSA-N 0 0 360.215 2.957 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2sccc2S(=O)(=O)C(F)F)cc1 ZINC000108153643 728519929 /nfs/dbraw/zinc/51/99/29/728519929.db2.gz CKCDURISNBKFOY-UHFFFAOYSA-N 0 0 374.434 2.740 20 10 FFCDRN Cc1cc(C(=O)N2CC(CO)C2)c(C)n1-c1ccc(Br)cc1 ZINC000122607922 728649558 /nfs/dbraw/zinc/64/95/58/728649558.db2.gz DOAHGOGJGKRPBC-UHFFFAOYSA-N 0 0 363.255 2.921 20 10 FFCDRN O=[N+]([O-])c1ccc([O-])c(C[NH2+]CCOc2ncccc2C(F)(F)F)c1 ZINC000122907133 728653076 /nfs/dbraw/zinc/65/30/76/728653076.db2.gz POZVYBVODCYPLR-UHFFFAOYSA-N 0 0 357.288 2.883 20 10 FFCDRN CCNc1nc(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cs1 ZINC000123512030 728659566 /nfs/dbraw/zinc/65/95/66/728659566.db2.gz OSEJOOGTUHDRRA-ZDUSSCGKSA-N 0 0 360.483 2.903 20 10 FFCDRN CC(C)C(=O)N1CCC[N@H+](Cc2cccc(Br)c2[O-])CC1 ZINC000123579179 728660234 /nfs/dbraw/zinc/66/02/34/728660234.db2.gz VLGVFUYHLUQBEY-UHFFFAOYSA-N 0 0 355.276 2.845 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)NCCOc1ncccc1Cl ZINC000126222304 728696184 /nfs/dbraw/zinc/69/61/84/728696184.db2.gz SZDSOWVWMCLPJE-UHFFFAOYSA-N 0 0 362.861 2.988 20 10 FFCDRN Cc1ccc(Cl)cc1NC(=O)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000134610241 728731367 /nfs/dbraw/zinc/73/13/67/728731367.db2.gz CNAWWCBYPMEAKB-NSHDSACASA-N 0 0 362.813 2.746 20 10 FFCDRN Cc1c(Cl)cccc1NC(=O)C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC000134612734 728731408 /nfs/dbraw/zinc/73/14/08/728731408.db2.gz DWJZEJPXKYAPQD-SNVBAGLBSA-N 0 0 362.813 2.746 20 10 FFCDRN COc1ccc(N(CCCS(=O)(=O)N(C)C)Cc2ccco2)cc1F ZINC000150864391 728743622 /nfs/dbraw/zinc/74/36/22/728743622.db2.gz SWAZXLWLNDSYBY-UHFFFAOYSA-N 0 0 370.446 2.715 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@](C)(O)CSC)c2C)cc1 ZINC000151075787 728744206 /nfs/dbraw/zinc/74/42/06/728744206.db2.gz DMQCQSCBEGDHDK-IBGZPJMESA-N 0 0 362.495 2.947 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)OCCCS(C)(=O)=O)c2C)cc1 ZINC000171491203 729005403 /nfs/dbraw/zinc/00/54/03/729005403.db2.gz QYYPSPYBRIAHBM-UHFFFAOYSA-N 0 0 365.451 2.694 20 10 FFCDRN CCn1cc(Br)cc1C(=O)NCc1cc(OC)ccc1O ZINC000172042871 729018408 /nfs/dbraw/zinc/01/84/08/729018408.db2.gz RYRMGHLTGUTCIC-UHFFFAOYSA-N 0 0 353.216 2.915 20 10 FFCDRN NC(=O)c1ccc(C(=O)N(Cc2ccco2)Cc2ccccc2O)s1 ZINC000173672917 729052072 /nfs/dbraw/zinc/05/20/72/729052072.db2.gz MBVNNFRTLZFOBW-UHFFFAOYSA-N 0 0 356.403 2.988 20 10 FFCDRN CCCCS(=O)(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173805487 729054525 /nfs/dbraw/zinc/05/45/25/729054525.db2.gz BSDMUGBHUOONJN-ZDUSSCGKSA-N 0 0 362.442 2.976 20 10 FFCDRN COc1cccc(CNC(=O)NCCOc2cccc(Cl)c2)c1O ZINC000174078065 729062362 /nfs/dbraw/zinc/06/23/62/729062362.db2.gz ZWMXTAQGDMNOOC-UHFFFAOYSA-N 0 0 350.802 2.932 20 10 FFCDRN CC(C)OCCS(=O)(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000175109070 729087549 /nfs/dbraw/zinc/08/75/49/729087549.db2.gz QNZNCDKOJUARLG-UHFFFAOYSA-N 0 0 354.516 2.767 20 10 FFCDRN Cc1ccc(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)c(O)c1O ZINC000177685874 729143189 /nfs/dbraw/zinc/14/31/89/729143189.db2.gz GUWLWKALDXMNHR-CQSZACIVSA-N 0 0 350.365 2.717 20 10 FFCDRN O=C(COc1ccc(F)cc1Br)NCc1ccc(O)c(O)c1 ZINC000778919395 738420902 /nfs/dbraw/zinc/42/09/02/738420902.db2.gz CQDKFRRUQLDLIK-UHFFFAOYSA-N 0 0 370.174 2.695 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1csc(-c2ccccn2)n1 ZINC000183439194 729304360 /nfs/dbraw/zinc/30/43/60/729304360.db2.gz HLPORWCJVGTKRI-LLVKDONJSA-N 0 0 355.419 2.977 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3csc4cncn43)CC2)cc1F ZINC000753738087 736090700 /nfs/dbraw/zinc/09/07/00/736090700.db2.gz LONWHHYLOVNODF-UHFFFAOYSA-N 0 0 360.414 2.506 20 10 FFCDRN CSc1c(F)cc(NC(=O)C(=O)N(C)Cc2ccccc2O)cc1F ZINC000184323928 729325182 /nfs/dbraw/zinc/32/51/82/729325182.db2.gz SLANEJIZCWXUKN-UHFFFAOYSA-N 0 0 366.389 2.989 20 10 FFCDRN C[C@H]1CCCN1S(=O)(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000184867426 729335319 /nfs/dbraw/zinc/33/53/19/729335319.db2.gz VJXTUFNAJBLVPK-INIZCTEOSA-N 0 0 351.516 2.838 20 10 FFCDRN Cc1ncsc1/C=C/C(=O)N(CCN1CCOCC1)c1ccccc1 ZINC000186344912 729363465 /nfs/dbraw/zinc/36/34/65/729363465.db2.gz IRXUTCWOAVDRKJ-BQYQJAHWSA-N 0 0 357.479 2.830 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnc(-c2ccncc2)s1 ZINC000186422724 729364981 /nfs/dbraw/zinc/36/49/81/729364981.db2.gz TWSNHPDRGVSCKP-NSHDSACASA-N 0 0 355.419 2.977 20 10 FFCDRN CCOC1CC(CC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)C1 ZINC000189894684 729403566 /nfs/dbraw/zinc/40/35/66/729403566.db2.gz GVYGZPRBVQNQPQ-UHFFFAOYSA-N 0 0 350.434 2.688 20 10 FFCDRN COc1cc(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)ccc1F ZINC000190586930 729409488 /nfs/dbraw/zinc/40/94/88/729409488.db2.gz CAWNOOVBAQEKLG-UHFFFAOYSA-N 0 0 364.442 2.695 20 10 FFCDRN Cc1ccc(CN(Cc2nnn(C)n2)c2ccc3c(c2)OCCO3)s1 ZINC000193466688 729480089 /nfs/dbraw/zinc/48/00/89/729480089.db2.gz MLUNVLKXFRIDCC-UHFFFAOYSA-N 0 0 357.439 2.558 20 10 FFCDRN COc1ccc(C)cc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC000195195112 729532263 /nfs/dbraw/zinc/53/22/63/729532263.db2.gz JGWUGOQOHXLSKK-UHFFFAOYSA-N 0 0 360.479 2.865 20 10 FFCDRN Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)N2CCCCC2)cc1 ZINC000238015385 729565994 /nfs/dbraw/zinc/56/59/94/729565994.db2.gz ODHRJSPXUDCILX-UHFFFAOYSA-N 0 0 359.451 2.696 20 10 FFCDRN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000779028340 738430942 /nfs/dbraw/zinc/43/09/42/738430942.db2.gz HFFXNQPYMBQTGY-BLLLJJGKSA-N 0 0 354.422 2.645 20 10 FFCDRN Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2O)c(C)c1[N+](=O)[O-] ZINC000856736041 730351971 /nfs/dbraw/zinc/35/19/71/730351971.db2.gz ARYFLMPPOTZOQK-UHFFFAOYSA-N 0 0 350.396 2.738 20 10 FFCDRN COc1cc(Cl)cc(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000857057546 730376531 /nfs/dbraw/zinc/37/65/31/730376531.db2.gz AMCGDHNYCGAGSU-OAHLLOKOSA-N 0 0 367.854 2.814 20 10 FFCDRN C[C@H]1CCc2nc(C(=O)NCc3cc(Br)ccc3O)cn2C1 ZINC000857954896 730414520 /nfs/dbraw/zinc/41/45/20/730414520.db2.gz RCZRLGZUPAFNEZ-JTQLQIEISA-N 0 0 364.243 2.864 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCC[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000858194219 730419415 /nfs/dbraw/zinc/41/94/15/730419415.db2.gz AGSSQNDVJXZGJC-ZDUSSCGKSA-N 0 0 351.447 2.803 20 10 FFCDRN C[C@@H](NC(=O)NC[C@@H]1CCCN1CC(F)F)c1ccc(N(C)C)cc1 ZINC000858369157 730424059 /nfs/dbraw/zinc/42/40/59/730424059.db2.gz RGOHJMCKRIJXPT-CJNGLKHVSA-N 0 0 354.445 2.842 20 10 FFCDRN CC[C@H]([NH2+]C[C@]1(CO)COCC2(CCC2)N1C)c1cccc(Cl)c1[O-] ZINC000858465914 730426513 /nfs/dbraw/zinc/42/65/13/730426513.db2.gz QGRITCHIIRMCOK-LPHOPBHVSA-N 0 0 368.905 2.702 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(S(C)(=O)=O)oc1C ZINC000858826814 730434348 /nfs/dbraw/zinc/43/43/48/730434348.db2.gz PIYJEISLEBGZTB-UHFFFAOYSA-N 0 0 364.467 2.720 20 10 FFCDRN CS[C@@H](CO)[C@@H](C)NC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000860162385 730482656 /nfs/dbraw/zinc/48/26/56/730482656.db2.gz NSDYWEAFXKDZHP-ACJLOTCBSA-N 0 0 360.479 2.749 20 10 FFCDRN CC(C)[C@H](NCC(F)(F)F)C(=O)NCc1ccc2cccnc2c1O ZINC000862024546 730662296 /nfs/dbraw/zinc/66/22/96/730662296.db2.gz AMWCPQIZVWSXPK-ZDUSSCGKSA-N 0 0 355.360 2.733 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2c(Cl)nn(C)c2Cl)cc1 ZINC000862129882 730669011 /nfs/dbraw/zinc/66/90/11/730669011.db2.gz WCYIMLCGBBFWHL-UHFFFAOYSA-N 0 0 371.268 2.944 20 10 FFCDRN CCc1[nH]nc(Cl)c1C(=O)N(C)CCN(C)c1ccc(OC)cc1 ZINC000862129983 730669035 /nfs/dbraw/zinc/66/90/35/730669035.db2.gz YOFJPTDFJGRVFB-UHFFFAOYSA-N 0 0 350.850 2.843 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000862221278 730677655 /nfs/dbraw/zinc/67/76/55/730677655.db2.gz XWKDGGVCKROMMF-UHFFFAOYSA-N 0 0 353.457 2.575 20 10 FFCDRN CCc1[nH]nc(Cl)c1C(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000862226229 730678374 /nfs/dbraw/zinc/67/83/74/730678374.db2.gz WYHXTKIGPZNTSK-UHFFFAOYSA-N 0 0 362.861 2.517 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)cc1F ZINC000862246813 730681406 /nfs/dbraw/zinc/68/14/06/730681406.db2.gz CWSGVFBEOYUBBK-INIZCTEOSA-N 0 0 356.413 2.573 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)c1 ZINC000862758004 730723799 /nfs/dbraw/zinc/72/37/99/730723799.db2.gz LMEMGHPXYSUDOB-JTQLQIEISA-N 0 0 353.344 2.864 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)[C@]23CCC(=O)N2c2ccccc2S3)c1 ZINC000862759769 730724098 /nfs/dbraw/zinc/72/40/98/730724098.db2.gz LCNPFTSZSJWKHC-LJQANCHMSA-N 0 0 354.431 2.946 20 10 FFCDRN Cc1cc(CNC(=O)CSc2nncn2C)c(C)n1-c1ccccc1 ZINC000863165290 730753548 /nfs/dbraw/zinc/75/35/48/730753548.db2.gz RWGYLKLAOKOCKL-UHFFFAOYSA-N 0 0 355.467 2.631 20 10 FFCDRN Cc1cc(CNC(=O)CS(=O)(=O)C(C)(C)C)c(C)n1-c1ccccc1 ZINC000863166168 730753554 /nfs/dbraw/zinc/75/35/54/730753554.db2.gz VERXMNALHQCCBB-UHFFFAOYSA-N 0 0 362.495 2.924 20 10 FFCDRN CC1=C(C(=O)OC(C)C)[C@H](c2cc(F)c(N(C)C)cc2F)NC(=S)N1 ZINC000863391734 730775598 /nfs/dbraw/zinc/77/55/98/730775598.db2.gz NTUGEEYJKQSLCW-HNNXBMFYSA-N 0 0 369.437 2.775 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCc3ncc(C)o3)CC2)cc1 ZINC000863402275 730776603 /nfs/dbraw/zinc/77/66/03/730776603.db2.gz YLCVUNKCWUXUAG-UHFFFAOYSA-N 0 0 361.467 2.574 20 10 FFCDRN CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000863406133 730777459 /nfs/dbraw/zinc/77/74/59/730777459.db2.gz VDDLXOJSYRENAW-MRXNPFEDSA-N 0 0 353.415 2.839 20 10 FFCDRN Cc1cccc(NC(=O)CSCC(=O)NCc2cc(C)ccc2O)c1 ZINC000863936887 730816629 /nfs/dbraw/zinc/81/66/29/730816629.db2.gz AOOVVKUUNUUQCJ-UHFFFAOYSA-N 0 0 358.463 2.997 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCO[C@@](C)(C(F)(F)F)C2)cc1OC ZINC000866157385 731035730 /nfs/dbraw/zinc/03/57/30/731035730.db2.gz BWOGCCJXDPREDD-CYBMUJFWSA-N 0 0 350.293 2.770 20 10 FFCDRN C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(Br)cc(Cl)c1[O-] ZINC000866497849 731067461 /nfs/dbraw/zinc/06/74/61/731067461.db2.gz MYFDKXGTTWHUHL-UPZJHPNMSA-N 0 0 350.640 2.609 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc(N=S(C)(C)=O)cc1 ZINC000867302458 731167849 /nfs/dbraw/zinc/16/78/49/731167849.db2.gz OYZCKDSKWHRCJD-LBPRGKRZSA-N 0 0 362.451 2.818 20 10 FFCDRN CCC(C)(C)CCS(=O)(=O)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000867532535 731196672 /nfs/dbraw/zinc/19/66/72/731196672.db2.gz ZKSBFKCWLCFRTE-UHFFFAOYSA-N 0 0 368.543 2.893 20 10 FFCDRN O=S(=O)(c1cc2c(cc1Cl)OCCO2)N1Cc2cccc(O)c2C1 ZINC000867691526 731214024 /nfs/dbraw/zinc/21/40/24/731214024.db2.gz ZKPOZAPBAKGABG-UHFFFAOYSA-N 0 0 367.810 2.521 20 10 FFCDRN O=C(/C=C/COC1CCOCC1)NCc1cccc(Br)c1O ZINC000867830765 731231670 /nfs/dbraw/zinc/23/16/70/731231670.db2.gz IIVRKJKQBHDDPF-GORDUTHDSA-N 0 0 370.243 2.523 20 10 FFCDRN CCO[C@H]1COCC[C@@H]1CC(=O)NCc1cc(Br)ccc1O ZINC000868307129 731279861 /nfs/dbraw/zinc/27/98/61/731279861.db2.gz PJJRDZRNHXIRBB-ABAIWWIYSA-N 0 0 372.259 2.603 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(Cl)ccn3)CC2)c(OC)c1 ZINC000870163288 731477415 /nfs/dbraw/zinc/47/74/15/731477415.db2.gz WUZSRHVJQOUOBJ-UHFFFAOYSA-N 0 0 361.829 2.715 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@]1(C(=O)N2Cc3cccc(O)c3C2)CC1(F)F ZINC000871198371 731605406 /nfs/dbraw/zinc/60/54/06/731605406.db2.gz IOHHJKJTQBVTEO-MRXNPFEDSA-N 0 0 354.353 2.537 20 10 FFCDRN O=C(c1c(Br)nc2n1CCCC2)N1Cc2cccc(O)c2C1 ZINC000871206065 731605994 /nfs/dbraw/zinc/60/59/94/731605994.db2.gz QEFICGNRBNKLFD-UHFFFAOYSA-N 0 0 362.227 2.844 20 10 FFCDRN CCn1ncc(C(=O)NCc2ccc(N(C)C)cc2)c1Br ZINC000873828865 731969582 /nfs/dbraw/zinc/96/95/82/731969582.db2.gz BMILGYFGBFTNIP-UHFFFAOYSA-N 0 0 351.248 2.662 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000780682006 738568094 /nfs/dbraw/zinc/56/80/94/738568094.db2.gz PGWHWKQVRWADIY-LLVKDONJSA-N 0 0 357.501 2.751 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCCCCCNC(=O)CC1 ZINC000875374790 732149261 /nfs/dbraw/zinc/14/92/61/732149261.db2.gz QEXHITLIMKDXGG-UHFFFAOYSA-N 0 0 370.544 2.717 20 10 FFCDRN COC(C)(C)CCNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000876080581 732214088 /nfs/dbraw/zinc/21/40/88/732214088.db2.gz FNVQQLSZNIAPBM-INIZCTEOSA-N 0 0 350.459 2.898 20 10 FFCDRN Nc1ccc(CCNC(=O)[C@@H]2CCCn3cc(C(F)(F)F)nc32)cc1 ZINC000876527339 732254501 /nfs/dbraw/zinc/25/45/01/732254501.db2.gz ASDAYHKTBHMNGR-CYBMUJFWSA-N 0 0 352.360 2.720 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2c(Cl)ccc3cccnc32)SC1=S ZINC000781099520 738598587 /nfs/dbraw/zinc/59/85/87/738598587.db2.gz GOMRHQLNTYZPLU-IZZDOVSWSA-N 0 0 363.851 2.575 20 10 FFCDRN CC(=O)NCC1CCC([NH2+]Cc2cccc(Br)c2[O-])CC1 ZINC000877479818 732369940 /nfs/dbraw/zinc/36/99/40/732369940.db2.gz YLVLUACVYNMIFG-UHFFFAOYSA-N 0 0 355.276 2.939 20 10 FFCDRN COC(=O)c1cc(C2CC[NH+](Cc3ccc(F)c(F)c3[O-])CC2)no1 ZINC000877704433 732417040 /nfs/dbraw/zinc/41/70/40/732417040.db2.gz ORRCJGVLRZCSRO-UHFFFAOYSA-N 0 0 352.337 2.825 20 10 FFCDRN C[C@]1(C(F)(F)F)CN(Cc2ccc(N3CCC(O)CC3)cc2)CCO1 ZINC000877715894 732418700 /nfs/dbraw/zinc/41/87/00/732418700.db2.gz LPFFTBSDRWZYEH-QGZVFWFLSA-N 0 0 358.404 2.801 20 10 FFCDRN Cc1cc(O)c(CN2CCc3c(cccc3S(N)(=O)=O)C2)c(Cl)c1 ZINC000877761891 732425074 /nfs/dbraw/zinc/42/50/74/732425074.db2.gz SJTHWRMNZRSFOT-UHFFFAOYSA-N 0 0 366.870 2.560 20 10 FFCDRN CCN(CC(F)(F)F)C(=O)CN(C)c1cc(OC)c(OC)c(OC)c1 ZINC000878128834 732486638 /nfs/dbraw/zinc/48/66/38/732486638.db2.gz IJEFOPISLJUWGP-UHFFFAOYSA-N 0 0 364.364 2.559 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C/c2ccc(SC(F)F)cc2)SC1=S ZINC000781549680 738635920 /nfs/dbraw/zinc/63/59/20/738635920.db2.gz HYDMVUFVZLDPDO-UITAMQMPSA-N 0 0 360.432 2.688 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926626710 738638434 /nfs/dbraw/zinc/63/84/34/738638434.db2.gz JIUQZTKXGHJMKE-UHTWSYAYSA-N 0 0 367.243 2.545 20 10 FFCDRN COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1O ZINC000880539776 732921183 /nfs/dbraw/zinc/92/11/83/732921183.db2.gz GVJMZDPBYRZNEL-CYBMUJFWSA-N 0 0 372.849 2.592 20 10 FFCDRN COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Cl)ccc1O ZINC000880539777 732921308 /nfs/dbraw/zinc/92/13/08/732921308.db2.gz GVJMZDPBYRZNEL-ZDUSSCGKSA-N 0 0 372.849 2.592 20 10 FFCDRN CC(=O)NC[C@H]1CCC[N@H+](Cc2cc(C)cc(Br)c2[O-])C1 ZINC000781901898 738669860 /nfs/dbraw/zinc/66/98/60/738669860.db2.gz WBBLUJNLBDLBLG-CYBMUJFWSA-N 0 0 355.276 2.811 20 10 FFCDRN C[C@H](CCS(C)(=O)=O)[NH2+]Cc1cc(Cl)cc(Br)c1[O-] ZINC000883045428 733325561 /nfs/dbraw/zinc/32/55/61/733325561.db2.gz YJNOPHQOBQONOM-MRVPVSSYSA-N 0 0 370.696 2.721 20 10 FFCDRN CC(C)(C)[C@H](O)C[C@H](CO)[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883113652 733336293 /nfs/dbraw/zinc/33/62/93/733336293.db2.gz ZKCCNAPMPXXPMI-DGCLKSJQSA-N 0 0 364.255 2.541 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000883146442 733342327 /nfs/dbraw/zinc/34/23/27/733342327.db2.gz NDKJNXQUYDEYSQ-TVQRCGJNSA-N 0 0 364.667 2.685 20 10 FFCDRN CO[C@H](C[NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CCOC1 ZINC000883164363 733344930 /nfs/dbraw/zinc/34/49/30/733344930.db2.gz CJQPTWPBYYMVEW-TVQRCGJNSA-N 0 0 364.667 2.949 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000883179777 733346735 /nfs/dbraw/zinc/34/67/35/733346735.db2.gz JEGHUJGMBDKALH-AWEZNQCLSA-N 0 0 373.266 2.637 20 10 FFCDRN C[C@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cc(Br)c(F)cc1[O-] ZINC000883375000 733376532 /nfs/dbraw/zinc/37/65/32/733376532.db2.gz ZDNOTPBWJOPJER-CIUDSAMLSA-N 0 0 366.252 2.520 20 10 FFCDRN CSc1nnc(CNC(=O)NCc2ccc(N(C)C)cc2C)s1 ZINC000782652064 738743629 /nfs/dbraw/zinc/74/36/29/738743629.db2.gz DGBBMXGVGKYDOO-UHFFFAOYSA-N 0 0 351.501 2.634 20 10 FFCDRN c1csc(CN(CCN2CCOCC2)c2ccc3c(c2)OCCO3)c1 ZINC000782722320 738751524 /nfs/dbraw/zinc/75/15/24/738751524.db2.gz IKZDEFAOLNZFHB-UHFFFAOYSA-N 0 0 360.479 2.858 20 10 FFCDRN CN(Cc1ncnn1CC(F)F)Cc1cc(C(C)(C)C)cc(O)c1O ZINC000782990626 738770956 /nfs/dbraw/zinc/77/09/56/738770956.db2.gz JEWBVZOLLNVPJA-UHFFFAOYSA-N 0 0 354.401 2.884 20 10 FFCDRN CN(C)Cc1csc(CNC(=O)c2cc3cc(O)c(O)cc3s2)n1 ZINC000927763649 738779426 /nfs/dbraw/zinc/77/94/26/738779426.db2.gz IATMUGZEIJBCQM-UHFFFAOYSA-N 0 0 363.464 2.761 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)Nc1ccns1 ZINC000889126701 734142369 /nfs/dbraw/zinc/14/23/69/734142369.db2.gz CHCHPHYUVQSHBB-UHFFFAOYSA-N 0 0 350.419 2.565 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCN2C(=O)C1=CC(=O)CS1 ZINC000890819126 734342932 /nfs/dbraw/zinc/34/29/32/734342932.db2.gz PHRZHCMSYANFKL-DIFFPNOSSA-N 0 0 352.456 2.973 20 10 FFCDRN CC(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708055081 734362603 /nfs/dbraw/zinc/36/26/03/734362603.db2.gz AYGYEDNUELBOKD-UHFFFAOYSA-N 0 0 361.667 2.909 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)c2s[n-]c(=O)c2Cl)[NH+](C)C)cc1 ZINC000891250298 734405111 /nfs/dbraw/zinc/40/51/11/734405111.db2.gz WKJKTSNZYFRRSH-GFCCVEGCSA-N 0 0 368.890 2.601 20 10 FFCDRN O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C1CCCCCC1 ZINC000726159979 734411413 /nfs/dbraw/zinc/41/14/13/734411413.db2.gz WVTJFAAAMVCLSI-UHFFFAOYSA-N 0 0 364.511 2.508 20 10 FFCDRN NC(=O)c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1 ZINC000726458555 734426675 /nfs/dbraw/zinc/42/66/75/734426675.db2.gz ZKJBHDNDHVIGLI-UHFFFAOYSA-N 0 0 354.479 2.872 20 10 FFCDRN CCOCCCNC(=S)NC1CCN(c2ccc(OC)cc2)CC1 ZINC000726492997 734431067 /nfs/dbraw/zinc/43/10/67/734431067.db2.gz INALKTVKEGAYAE-UHFFFAOYSA-N 0 0 351.516 2.555 20 10 FFCDRN C[C@@H](NC(=O)c1cc(N)nc(Cl)c1)c1ccc(N2CCOCC2)cc1 ZINC000726770570 734443883 /nfs/dbraw/zinc/44/38/83/734443883.db2.gz XJXLTKUXVUSYOJ-GFCCVEGCSA-N 0 0 360.845 2.645 20 10 FFCDRN Cc1ccc(C(=O)OCC(=O)N2CCSc3ccccc32)c(O)c1O ZINC000727005146 734459412 /nfs/dbraw/zinc/45/94/12/734459412.db2.gz IATKWZIZTAUUAL-UHFFFAOYSA-N 0 0 359.403 2.702 20 10 FFCDRN Cc1ccc(C(=O)OCc2ccc(S(=O)(=O)C(F)F)cc2)c(O)c1O ZINC000727005198 734459473 /nfs/dbraw/zinc/45/94/73/734459473.db2.gz KANOBXPKYAWPRL-UHFFFAOYSA-N 0 0 372.345 2.760 20 10 FFCDRN COc1ccc(N2CCCN(c3ccc(Br)nn3)CC2)cc1 ZINC000891933472 734497125 /nfs/dbraw/zinc/49/71/25/734497125.db2.gz HNQBLYBNLKQFQZ-UHFFFAOYSA-N 0 0 363.259 2.964 20 10 FFCDRN OCc1cnc(N[C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)cn1 ZINC000892703969 734593338 /nfs/dbraw/zinc/59/33/38/734593338.db2.gz DQQHULWPDKFMLG-GFCCVEGCSA-N 0 0 350.369 2.651 20 10 FFCDRN CC[C@H](CO)Nc1cc(NCc2cccc(Br)c2O)ncn1 ZINC000893514720 734712676 /nfs/dbraw/zinc/71/26/76/734712676.db2.gz DQGNGLGNJNPWBE-LLVKDONJSA-N 0 0 367.247 2.740 20 10 FFCDRN COc1ccc(NC(=O)[C@@H](C)OC(=O)C2=CC(=O)CS2)c([N+](=O)[O-])c1 ZINC000732354933 734736814 /nfs/dbraw/zinc/73/68/14/734736814.db2.gz XECPUJBQNRNTAY-MRVPVSSYSA-N 0 0 366.351 2.555 20 10 FFCDRN CC(C)[C@@H](C(=O)NCCCSc1nccs1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000733878610 734855385 /nfs/dbraw/zinc/85/53/85/734855385.db2.gz BHJVFXOVVOXOAK-ZNMIVQPWSA-N 0 0 371.572 2.875 20 10 FFCDRN CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCCCSc1nccs1 ZINC000733972884 734865081 /nfs/dbraw/zinc/86/50/81/734865081.db2.gz NNTMRVNVDPRADI-VXGBXAGGSA-N 0 0 373.569 2.689 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+](CCO)C1CCSCC1 ZINC000894930150 734938475 /nfs/dbraw/zinc/93/84/75/734938475.db2.gz XXTUEIKEZKFRTQ-UHFFFAOYSA-N 0 0 364.280 2.984 20 10 FFCDRN C[NH+]1CCC2(CC1)CN(Cc1cc(Br)cc(F)c1[O-])CCO2 ZINC000895088429 734962214 /nfs/dbraw/zinc/96/22/14/734962214.db2.gz YUOFSFMWVGENCN-UHFFFAOYSA-N 0 0 373.266 2.590 20 10 FFCDRN CSCC(C)(C)NC(=O)NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000895291934 734987973 /nfs/dbraw/zinc/98/79/73/734987973.db2.gz OXDLQYCNXUNRHI-UHFFFAOYSA-N 0 0 373.469 2.742 20 10 FFCDRN CN1C[C@H]([N@H+](C)Cc2cc(Cl)cc(Br)c2[O-])CCC1=O ZINC000895389533 734999581 /nfs/dbraw/zinc/99/95/81/734999581.db2.gz PPKHPTPDKJDGAQ-LLVKDONJSA-N 0 0 361.667 2.861 20 10 FFCDRN COC(=O)[C@@H](CC1CCOCC1)NCc1cc(Cl)cc(OC)c1O ZINC000895592239 735028612 /nfs/dbraw/zinc/02/86/12/735028612.db2.gz RWWOOQPHELUHFL-CQSZACIVSA-N 0 0 357.834 2.502 20 10 FFCDRN CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(F)c(N(C)C)cc1F ZINC000895867371 735067418 /nfs/dbraw/zinc/06/74/18/735067418.db2.gz WQTOVHSEVWHSHZ-CZUORRHYSA-N 0 0 356.413 2.621 20 10 FFCDRN Cc1cc(O)ccc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000740701173 735081631 /nfs/dbraw/zinc/08/16/31/735081631.db2.gz WZXUFVGRZFXWJO-UHFFFAOYSA-N 0 0 352.799 2.649 20 10 FFCDRN O=C(N[C@@H]1CCN(CC(F)(F)F)C1)c1cc2cc(O)c(O)cc2s1 ZINC000895984198 735083725 /nfs/dbraw/zinc/08/37/25/735083725.db2.gz BHPKCNUYSMWYQR-SECBINFHSA-N 0 0 360.357 2.679 20 10 FFCDRN COc1cc(Br)cc(C[N@@H+]2CC[C@@H](c3noc(C)n3)C2)c1O ZINC000896240245 735123843 /nfs/dbraw/zinc/12/38/43/735123843.db2.gz PDWNUPCPHVCCKF-SNVBAGLBSA-N 0 0 368.231 2.844 20 10 FFCDRN CN(C)[C@H](CCNC(=O)NCc1cccc(Cl)c1O)C(F)(F)F ZINC000896685279 735180032 /nfs/dbraw/zinc/18/00/32/735180032.db2.gz ZUNOZJVLXBJQMM-LLVKDONJSA-N 0 0 353.772 2.727 20 10 FFCDRN Cc1nc(CC(F)(F)F)sc1CC(=O)NCCc1ccc(O)c(O)c1 ZINC000897066445 735193621 /nfs/dbraw/zinc/19/36/21/735193621.db2.gz AAPOTNXKGGGRFT-UHFFFAOYSA-N 0 0 374.384 2.869 20 10 FFCDRN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)CCN1C(=O)OC(C)(C)C ZINC000742159557 735207617 /nfs/dbraw/zinc/20/76/17/735207617.db2.gz SUPDKJXYACHOII-LBPRGKRZSA-N 0 0 350.415 2.562 20 10 FFCDRN Cc1cccc(CN2CCn3ncc(I)c3C2)c1O ZINC000897291372 735216079 /nfs/dbraw/zinc/21/60/79/735216079.db2.gz LTHMJVDQGDJKHI-UHFFFAOYSA-N 0 0 369.206 2.518 20 10 FFCDRN Cc1ccccc1S(=O)(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000747253283 735549619 /nfs/dbraw/zinc/54/96/19/735549619.db2.gz LOHSFPILPUWEJL-MRXNPFEDSA-N 0 0 360.479 2.871 20 10 FFCDRN O=C(NCc1ccccc1O)c1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000748347203 735636565 /nfs/dbraw/zinc/63/65/65/735636565.db2.gz ZJRCREDSOPZSEC-UHFFFAOYSA-N 0 0 359.325 2.616 20 10 FFCDRN CCOC(=O)[C@H]1CSCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000750035512 735767875 /nfs/dbraw/zinc/76/78/75/735767875.db2.gz FNGBLUOFKDLVBG-CQSZACIVSA-N 0 0 357.859 2.729 20 10 FFCDRN COc1ccc(S(=O)(=O)NCc2cccc(OC)c2O)cc1Cl ZINC000751309127 735862974 /nfs/dbraw/zinc/86/29/74/735862974.db2.gz HGEVPQAOCIHECW-UHFFFAOYSA-N 0 0 357.815 2.541 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1 ZINC000751316751 735863398 /nfs/dbraw/zinc/86/33/98/735863398.db2.gz ARPXGXHOMMADQB-VXGBXAGGSA-N 0 0 363.435 2.764 20 10 FFCDRN CN1CCc2ccc(S(=O)(=O)NCCCSc3nccs3)cc21 ZINC000753371134 736061129 /nfs/dbraw/zinc/06/11/29/736061129.db2.gz PHJCEHMHLSTYLV-UHFFFAOYSA-N 0 0 369.537 2.596 20 10 FFCDRN CCNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(F)cc(F)c2[O-])c1 ZINC000903234626 736063265 /nfs/dbraw/zinc/06/32/65/736063265.db2.gz PBNFNMIKFCSYFB-NSHDSACASA-N 0 0 370.421 2.819 20 10 FFCDRN [O-]c1c(Br)cccc1C[NH2+][C@@H](CO)C[C@H](O)c1ccccc1 ZINC000754079904 736122589 /nfs/dbraw/zinc/12/25/89/736122589.db2.gz LIMXXSYSPQESFS-ZBFHGGJFSA-N 0 0 366.255 2.729 20 10 FFCDRN C[C@@H](CNC(=O)N(Cc1ccccc1O)C1CCCCC1)S(C)(=O)=O ZINC000754674590 736185962 /nfs/dbraw/zinc/18/59/62/736185962.db2.gz LELNNRYSQVGVDO-AWEZNQCLSA-N 0 0 368.499 2.670 20 10 FFCDRN O=C([O-])N[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2O)C12CCC2 ZINC000904238819 736237138 /nfs/dbraw/zinc/23/71/38/736237138.db2.gz FPCSXZJCKREKKG-OLZOCXBDSA-N 0 0 355.232 2.823 20 10 FFCDRN O=C(Nc1cnns1)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000755346977 736250411 /nfs/dbraw/zinc/25/04/11/736250411.db2.gz HBESUKPKLOAAJE-UHFFFAOYSA-N 0 0 369.397 2.930 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc(F)c(OC)cc2OC)c1O ZINC000755832682 736282502 /nfs/dbraw/zinc/28/25/02/736282502.db2.gz HPEQFNCYACOZIZ-UHFFFAOYSA-N 0 0 350.346 2.879 20 10 FFCDRN C[C@@H]([NH2+]CCNC(=O)C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756370397 736325804 /nfs/dbraw/zinc/32/58/04/736325804.db2.gz GWKJFGXECDMGEV-MRVPVSSYSA-N 0 0 361.667 2.985 20 10 FFCDRN C[C@H]([NH2+]C[C@@H]1COCCO1)c1cc(Br)cc(Cl)c1[O-] ZINC000756434441 736330713 /nfs/dbraw/zinc/33/07/13/736330713.db2.gz NNSHRCCTMWFCKS-WCBMZHEXSA-N 0 0 350.640 2.874 20 10 FFCDRN C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)c1ccc(F)cc1[O-] ZINC000756556595 736342593 /nfs/dbraw/zinc/34/25/93/736342593.db2.gz OVCDQSOGSGXVPH-LBPRGKRZSA-N 0 0 353.415 2.664 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2C)C1)c1cc(Br)cc(F)c1[O-] ZINC000756732002 736356332 /nfs/dbraw/zinc/35/63/32/736356332.db2.gz KLWDBPUTDJABSH-CITXGKJTSA-N 0 0 371.250 2.954 20 10 FFCDRN COC[C@@](C)(CC(=O)OC)[NH2+]Cc1cc(C)cc(Br)c1[O-] ZINC000757926087 736436107 /nfs/dbraw/zinc/43/61/07/736436107.db2.gz JSGNEUYTJBLDIM-OAHLLOKOSA-N 0 0 360.248 2.521 20 10 FFCDRN CC[C@H]1c2ccsc2CCN1C(=O)COC(=O)c1cccc(O)c1O ZINC000758562505 736501933 /nfs/dbraw/zinc/50/19/33/736501933.db2.gz SDDLVIHOEYCNPI-ZDUSSCGKSA-N 0 0 361.419 2.852 20 10 FFCDRN O=C(COC(=O)c1cccc(O)c1O)c1cccc(Br)c1 ZINC000758570825 736502547 /nfs/dbraw/zinc/50/25/47/736502547.db2.gz AVHKWPZVPCLUKZ-UHFFFAOYSA-N 0 0 351.152 2.900 20 10 FFCDRN Cc1cc(C(=O)OCCCS(=O)(=O)C(C)C)c(C)n1-c1ccccn1 ZINC000758932731 736533333 /nfs/dbraw/zinc/53/33/33/736533333.db2.gz ZQFVJYLPCBCBIF-UHFFFAOYSA-N 0 0 364.467 2.859 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(C2CC2)nn1C ZINC000906818890 736547357 /nfs/dbraw/zinc/54/73/57/736547357.db2.gz PZZUAWVGVXAJEO-UHFFFAOYSA-N 0 0 362.499 2.574 20 10 FFCDRN CCn1nc(C)c(CNC(=O)NCCCSc2nccs2)c1C ZINC000759574299 736578042 /nfs/dbraw/zinc/57/80/42/736578042.db2.gz ODJXTHHXKIXXHK-UHFFFAOYSA-N 0 0 353.517 2.958 20 10 FFCDRN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)NCCCSc2nccs2)C1 ZINC000759579787 736578387 /nfs/dbraw/zinc/57/83/87/736578387.db2.gz LJBIWHKRZOAXPP-OLZOCXBDSA-N 0 0 370.544 2.572 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000759589281 736579147 /nfs/dbraw/zinc/57/91/47/736579147.db2.gz HITANDUWZGZTHU-SECBINFHSA-N 0 0 355.407 2.598 20 10 FFCDRN COc1cccc(CNC(=O)NCCCSc2nccs2)c1O ZINC000759602269 736580144 /nfs/dbraw/zinc/58/01/44/736580144.db2.gz SOWOSQQFCBUVNJ-UHFFFAOYSA-N 0 0 353.469 2.839 20 10 FFCDRN COC(=O)C12CCC(C(=O)NCCCSc3nccs3)(CC1)C2 ZINC000760333922 736630314 /nfs/dbraw/zinc/63/03/14/736630314.db2.gz XZWBUJFJWLYQQP-UHFFFAOYSA-N 0 0 354.497 2.865 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CCOc1ccccc1 ZINC000760939145 736681496 /nfs/dbraw/zinc/68/14/96/736681496.db2.gz NSDPMQNXCNYRHX-UHFFFAOYSA-N 0 0 360.797 2.889 20 10 FFCDRN COc1ccc(/C=C2/SC(=S)N(C)C2=O)c(Br)c1O ZINC000761010479 736687785 /nfs/dbraw/zinc/68/77/85/736687785.db2.gz JHPRFFLUVWDSQV-VMPITWQZSA-N 0 0 360.254 2.994 20 10 FFCDRN C[C@@H]1C(=O)N(Cc2ccc(N3CCSCC3)cc2)C(=O)N1C1CCC1 ZINC000761101853 736696107 /nfs/dbraw/zinc/69/61/07/736696107.db2.gz WDUUZDRCFFVMOZ-CQSZACIVSA-N 0 0 359.495 2.945 20 10 FFCDRN CO[C@@H]1CCC[C@@H]1CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000761207661 736707767 /nfs/dbraw/zinc/70/77/67/736707767.db2.gz HIXHMHOMHFUCNY-IAQYHMDHSA-N 0 0 352.818 2.625 20 10 FFCDRN CC(C)CC1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000761602877 736747816 /nfs/dbraw/zinc/74/78/16/736747816.db2.gz NSAIQFNICFNZEM-UHFFFAOYSA-N 0 0 354.472 2.662 20 10 FFCDRN CC(C)Oc1cc(O)ccc1NS(=O)(=O)N1CCc2ccccc2C1 ZINC000761999685 736781268 /nfs/dbraw/zinc/78/12/68/736781268.db2.gz ICEHWFIJMIXRFU-UHFFFAOYSA-N 0 0 362.451 2.894 20 10 FFCDRN CN(C)[C@@H](C(=O)NCCc1ccc(O)c(O)c1)c1c(F)cccc1Cl ZINC000762264476 736808785 /nfs/dbraw/zinc/80/87/85/736808785.db2.gz ZSFVYCFUGZADLA-QGZVFWFLSA-N 0 0 366.820 2.852 20 10 FFCDRN COC(=O)/C=C\c1ccc(N(C)[C@H](C)C(=O)OC(C)C)c([N+](=O)[O-])c1 ZINC000762959508 736887873 /nfs/dbraw/zinc/88/78/73/736887873.db2.gz VXMCTGMHIWKKPL-ZVTBTPLYSA-N 0 0 350.371 2.557 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3SCCS[C@H]23)c1O ZINC000763059288 736896929 /nfs/dbraw/zinc/89/69/29/736896929.db2.gz ANOBXFZPAJJMFW-OSAQELSMSA-N 0 0 354.497 2.580 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2scnc2C2CC2)c1 ZINC000763133882 736905119 /nfs/dbraw/zinc/90/51/19/736905119.db2.gz BZHAIUJUWUNFHA-SECBINFHSA-N 0 0 361.423 2.551 20 10 FFCDRN Cc1cccc(CNC(=O)NCc2cccc(Br)c2O)n1 ZINC000764761616 737047064 /nfs/dbraw/zinc/04/70/64/737047064.db2.gz BSRJUPQRAGDECV-UHFFFAOYSA-N 0 0 350.216 2.858 20 10 FFCDRN C[C@H](Cc1ccncc1)NC(=O)NCc1cccc(Br)c1O ZINC000764790939 737050144 /nfs/dbraw/zinc/05/01/44/737050144.db2.gz KYDCZUXXUMNACX-LLVKDONJSA-N 0 0 364.243 2.980 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C(=O)OC(C)(C)C ZINC000764872298 737058141 /nfs/dbraw/zinc/05/81/41/737058141.db2.gz CIJXVDSSNNEMCE-UHFFFAOYSA-N 0 0 358.232 2.845 20 10 FFCDRN COc1cccc(OCC(=O)NCc2cccc(Br)c2O)c1 ZINC000765730595 737149983 /nfs/dbraw/zinc/14/99/83/737149983.db2.gz DOEZQIAEJUKBGL-UHFFFAOYSA-N 0 0 366.211 2.859 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cccc(-n2ccnn2)c1 ZINC000765766533 737156443 /nfs/dbraw/zinc/15/64/43/737156443.db2.gz YMZDAOXBOQRBLG-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cnn2c1CCCC2 ZINC000804739596 740901898 /nfs/dbraw/zinc/90/18/98/740901898.db2.gz KYKYTPTUUNZKHY-UHFFFAOYSA-N 0 0 350.216 2.618 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)CCCCC(N)=O)cc1 ZINC000912110142 737266336 /nfs/dbraw/zinc/26/63/36/737266336.db2.gz NONNKECDOLPSBW-UHFFFAOYSA-N 0 0 359.392 2.689 20 10 FFCDRN Cc1cc(C(=O)N2CCC(CO)(CO)C2)c(C)n1-c1cccc(Cl)c1 ZINC000912555679 737318721 /nfs/dbraw/zinc/31/87/21/737318721.db2.gz FIHOVWZEJXJLBM-UHFFFAOYSA-N 0 0 362.857 2.564 20 10 FFCDRN Cc1cc(N2CCC[C@@H]([NH2+]Cc3c([O-])ccc(Cl)c3F)C2)n(C)n1 ZINC000767741785 737362779 /nfs/dbraw/zinc/36/27/79/737362779.db2.gz SFUAKMZPLCTZJT-GFCCVEGCSA-N 0 0 352.841 2.985 20 10 FFCDRN COc1ccc(F)cc1NC(=O)C(=O)NCCCSc1nccs1 ZINC000768968843 737483216 /nfs/dbraw/zinc/48/32/16/737483216.db2.gz OQTIRLMOYNJVNE-UHFFFAOYSA-N 0 0 369.443 2.528 20 10 FFCDRN C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)NCc1ccccc1O ZINC000769358917 737520842 /nfs/dbraw/zinc/52/08/42/737520842.db2.gz CZCFUZHAOWXFSJ-LBPRGKRZSA-N 0 0 362.426 2.908 20 10 FFCDRN CC1(CC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCCC1 ZINC000809616393 741322361 /nfs/dbraw/zinc/32/23/61/741322361.db2.gz WNWOAKBYJFPGIR-UHFFFAOYSA-N 0 0 364.511 2.508 20 10 FFCDRN C[N@H+](CC(=O)NCc1cccs1)Cc1cccc(Br)c1[O-] ZINC000769429173 737529132 /nfs/dbraw/zinc/52/91/32/737529132.db2.gz VMYXORIUEYRPLO-UHFFFAOYSA-N 0 0 369.284 2.964 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)NCC3CSC3)cc2F)C[C@H](C)O1 ZINC000914242538 737537048 /nfs/dbraw/zinc/53/70/48/737537048.db2.gz MNVLFJUPULTMIP-BETUJISGSA-N 0 0 367.490 2.602 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH+]2CCC(O[C@H]3CCOC3)CC2)c1[O-] ZINC000769526333 737539226 /nfs/dbraw/zinc/53/92/26/737539226.db2.gz KHSVPQVVZUBODT-AWEZNQCLSA-N 0 0 356.806 2.724 20 10 FFCDRN CC[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CCCCC1 ZINC000769746278 737560765 /nfs/dbraw/zinc/56/07/65/737560765.db2.gz INVCUBXKIAXMGM-HNNXBMFYSA-N 0 0 354.472 2.852 20 10 FFCDRN COc1ccc(CNS(=O)(=O)[C@@H]2C[C@H]2c2cccc(F)c2)c(O)c1 ZINC000915164943 737611361 /nfs/dbraw/zinc/61/13/61/737611361.db2.gz PPPMMJUJNCWYBH-DOTOQJQBSA-N 0 0 351.399 2.515 20 10 FFCDRN CC(C)C1CCC(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1 ZINC000771089475 737695545 /nfs/dbraw/zinc/69/55/45/737695545.db2.gz DLULAGZZENYCFS-UHFFFAOYSA-N 0 0 368.499 2.956 20 10 FFCDRN CC[C@@H]1CO[C@@H](C)CN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000916625662 737716532 /nfs/dbraw/zinc/71/65/32/737716532.db2.gz NQSYRSAQNMEMIC-DOTOQJQBSA-N 0 0 363.527 2.949 20 10 FFCDRN Cc1cc(C(=O)NCCCO)c(C)n1-c1ccccc1Br ZINC000918066587 737791651 /nfs/dbraw/zinc/79/16/51/737791651.db2.gz DOZHWOBZKAACSO-UHFFFAOYSA-N 0 0 351.244 2.969 20 10 FFCDRN COc1cccc(OC)c1S(=O)(=O)NCc1ccc(N(C)C)cc1C ZINC000772685642 737832994 /nfs/dbraw/zinc/83/29/94/737832994.db2.gz HKBXNDWSFSFGDC-UHFFFAOYSA-N 0 0 364.467 2.557 20 10 FFCDRN COc1cccc(OC)c1S(=O)(=O)NCCCSc1nccs1 ZINC000772677526 737833015 /nfs/dbraw/zinc/83/30/15/737833015.db2.gz QKKVXAKTZDJUHU-UHFFFAOYSA-N 0 0 374.509 2.621 20 10 FFCDRN C[C@H](NC(=O)c1ccccc1SCC(N)=O)c1ccc(N(C)C)cc1 ZINC000773016658 737864018 /nfs/dbraw/zinc/86/40/18/737864018.db2.gz ALBKCXRELSCHOJ-ZDUSSCGKSA-N 0 0 357.479 2.821 20 10 FFCDRN COC(=O)c1cccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1 ZINC000773083631 737869626 /nfs/dbraw/zinc/86/96/26/737869626.db2.gz GUXZPVYMKXVSQB-CYBMUJFWSA-N 0 0 362.451 2.579 20 10 FFCDRN C[C@H](NS(=O)(=O)Cc1ccc(Cl)nc1)c1ccc(N(C)C)cc1 ZINC000773086712 737870003 /nfs/dbraw/zinc/87/00/03/737870003.db2.gz GCADHDPOZBNMIV-LBPRGKRZSA-N 0 0 353.875 2.982 20 10 FFCDRN CC(C)CN1C(=O)C(=CNc2ccc(C(F)(F)F)cc2)C(=O)NC1=S ZINC000920976590 737937301 /nfs/dbraw/zinc/93/73/01/737937301.db2.gz YCWRREOCYLOZKK-KPKJPENVSA-N 0 0 371.384 2.901 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCC23OCCO3)cc1F ZINC000773954385 737948356 /nfs/dbraw/zinc/94/83/56/737948356.db2.gz HYNIKCLMNBUZHA-HNNXBMFYSA-N 0 0 350.434 2.831 20 10 FFCDRN C[C@H]([NH2+][C@H]1CCCN(S(C)(=O)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000774143980 737964274 /nfs/dbraw/zinc/96/42/74/737964274.db2.gz OOQLQQDROYUYNS-UWVGGRQHSA-N 0 0 367.298 2.774 20 10 FFCDRN CCc1ccc(NC(=S)NCc2cccc(N3CCOCC3)n2)cc1 ZINC000774256413 737974485 /nfs/dbraw/zinc/97/44/85/737974485.db2.gz INJXSHNIWBCWQX-UHFFFAOYSA-N 0 0 356.495 2.967 20 10 FFCDRN Cn1nccc1[C@@H]1CCCN1C(=O)NCCCSc1nccs1 ZINC000921447244 737985946 /nfs/dbraw/zinc/98/59/46/737985946.db2.gz CBIWIKBGELBDJO-ZDUSSCGKSA-N 0 0 351.501 2.906 20 10 FFCDRN COC(=O)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCCCC1 ZINC000774942772 738042890 /nfs/dbraw/zinc/04/28/90/738042890.db2.gz UQIQODOORVRPCO-UHFFFAOYSA-N 0 0 352.387 2.665 20 10 FFCDRN COc1c(O)c(CNc2cccc(OCC(F)F)n2)ccc1[N+](=O)[O-] ZINC000775040569 738056292 /nfs/dbraw/zinc/05/62/92/738056292.db2.gz RLWJRBDYWJDWIG-UHFFFAOYSA-N 0 0 355.297 2.960 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NCc2ccc(Cl)o2)cc1 ZINC000775230945 738074776 /nfs/dbraw/zinc/07/47/76/738074776.db2.gz LEDKTMXKSWAUTO-UHFFFAOYSA-N 0 0 363.845 2.712 20 10 FFCDRN Cc1cccc(CN2CCO[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C2)c1O ZINC000775740006 738119895 /nfs/dbraw/zinc/11/98/95/738119895.db2.gz JJEQWTLPFXSPGE-GDBMZVCRSA-N 0 0 350.459 2.815 20 10 FFCDRN CCOC(=O)C[C@@H]1C[C@H](OC)CN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000775878337 738134983 /nfs/dbraw/zinc/13/49/83/738134983.db2.gz AQXDNHZROVYOTA-GJZGRUSLSA-N 0 0 369.845 2.791 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)c1 ZINC000776521339 738202376 /nfs/dbraw/zinc/20/23/76/738202376.db2.gz WMVGBHYDJMBIGY-MRXNPFEDSA-N 0 0 374.275 2.645 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C/c2cc(OC)cc(C)n2)SC1=S ZINC000776727244 738226112 /nfs/dbraw/zinc/22/61/12/738226112.db2.gz TZWAJCGGYFUJOH-LCYFTJDESA-N 0 0 366.464 2.553 20 10 FFCDRN Oc1cccc(Br)c1CNC1(c2ncccn2)CCOCC1 ZINC000923011205 738230192 /nfs/dbraw/zinc/23/01/92/738230192.db2.gz MLIQWMKILNDXNB-UHFFFAOYSA-N 0 0 364.243 2.740 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)OCc2ccc(CF)cc2)c1 ZINC000777071643 738258628 /nfs/dbraw/zinc/25/86/28/738258628.db2.gz JJIFZPOPZHYTBO-UHFFFAOYSA-N 0 0 353.371 2.590 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)NOC1CCCCC1 ZINC000777458903 738291745 /nfs/dbraw/zinc/29/17/45/738291745.db2.gz KPUYZLYSYZMRDL-UHFFFAOYSA-N 0 0 351.422 2.726 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2cccc3c(C)ccnc32)c1 ZINC000777966827 738336352 /nfs/dbraw/zinc/33/63/52/738336352.db2.gz ITZVDRJPLHLMHI-UHFFFAOYSA-N 0 0 358.419 2.736 20 10 FFCDRN CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1c(O)cccc1F ZINC000928710898 738898712 /nfs/dbraw/zinc/89/87/12/738898712.db2.gz XFWPDSFALHHDNQ-ZDUSSCGKSA-N 0 0 372.462 2.794 20 10 FFCDRN COCc1ccccc1S(=O)(=O)NCc1ccc(N2CCCC2)cc1 ZINC000778610824 738398766 /nfs/dbraw/zinc/39/87/66/738398766.db2.gz XQOZWJHNIAUJQJ-UHFFFAOYSA-N 0 0 360.479 2.912 20 10 FFCDRN CO[C@@H](CCNC(=O)NCCCSc1nccs1)C(F)(F)F ZINC000786788086 739076910 /nfs/dbraw/zinc/07/69/10/739076910.db2.gz CUSQACUXRNHKCU-VIFPVBQESA-N 0 0 357.423 2.892 20 10 FFCDRN CSC1(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCC1 ZINC000787404380 739134344 /nfs/dbraw/zinc/13/43/44/739134344.db2.gz ZLIHATWXYGWTEV-UHFFFAOYSA-N 0 0 352.475 2.689 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCCC1CS(=O)(=O)C1 ZINC000787453419 739138315 /nfs/dbraw/zinc/13/83/15/739138315.db2.gz LSUBZCNJLLNCHO-UHFFFAOYSA-N 0 0 360.479 2.567 20 10 FFCDRN CCc1ccc(CNC(=O)C(=O)NCCCSc2nccs2)s1 ZINC000788712678 739275278 /nfs/dbraw/zinc/27/52/78/739275278.db2.gz RNKLFWVTBQZFHM-UHFFFAOYSA-N 0 0 369.537 2.682 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N2CCC[C@@H]2CSC)cc1 ZINC000788950770 739301348 /nfs/dbraw/zinc/30/13/48/739301348.db2.gz KGTXCCHSJGKHJB-QGZVFWFLSA-N 0 0 363.527 2.503 20 10 FFCDRN CCN(CC(N)=O)CC(=O)c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C ZINC000789519198 739363031 /nfs/dbraw/zinc/36/30/31/739363031.db2.gz XSTOGLSIOFEMDI-UHFFFAOYSA-N 0 0 365.836 2.877 20 10 FFCDRN CCC[C@@H](CCCS(C)(=O)=O)C(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000789996870 739403800 /nfs/dbraw/zinc/40/38/00/739403800.db2.gz VUOGEZQGEBSIPE-KBPBESRZSA-N 0 0 371.499 2.819 20 10 FFCDRN COC[C@](C)(NC(=O)N[C@@H](C)c1cc(OC)ccc1O)C(F)(F)F ZINC000932344150 739436345 /nfs/dbraw/zinc/43/63/45/739436345.db2.gz VFESTPXMPUPXEN-XPTSAGLGSA-N 0 0 350.337 2.728 20 10 FFCDRN Cc1nc(CS(=O)(=O)NCc2ccc(N3CCCC3)cc2)cs1 ZINC000790347791 739440829 /nfs/dbraw/zinc/44/08/29/739440829.db2.gz NGYDXAAGKAJLSH-UHFFFAOYSA-N 0 0 351.497 2.671 20 10 FFCDRN COc1cc(Br)cc(CNC(C)(C)c2nc(C)no2)c1O ZINC000790622751 739476496 /nfs/dbraw/zinc/47/64/96/739476496.db2.gz OGOLNKFVIMGUDK-UHFFFAOYSA-N 0 0 356.220 2.880 20 10 FFCDRN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1cccc(O)c1O ZINC000790899112 739510564 /nfs/dbraw/zinc/51/05/64/739510564.db2.gz IPYJYXJZNMYGFT-VXGBXAGGSA-N 0 0 350.415 2.616 20 10 FFCDRN CC(C)OC(=O)CC[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000792057676 739631920 /nfs/dbraw/zinc/63/19/20/739631920.db2.gz HVXPTSRJRUBMAP-CYBMUJFWSA-N 0 0 353.438 2.811 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)CCC(=O)OC(C)C)c1 ZINC000792303079 739660269 /nfs/dbraw/zinc/66/02/69/739660269.db2.gz HQUYALMIQNDIMN-OLZOCXBDSA-N 0 0 352.431 2.881 20 10 FFCDRN CSc1cc(O)ccc1NS(=O)(=O)c1ccc(O)c(NC(C)=O)c1 ZINC000792702891 739695875 /nfs/dbraw/zinc/69/58/75/739695875.db2.gz HLPPAWOERFAUAR-UHFFFAOYSA-N 0 0 368.436 2.579 20 10 FFCDRN O=C(NCCCSc1nccs1)Nc1ccnn1[C@@H]1CCOC1 ZINC000934128106 739733663 /nfs/dbraw/zinc/73/36/63/739733663.db2.gz PSWDMKBELQPGQX-LLVKDONJSA-N 0 0 353.473 2.605 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](C)c2ccc([S@](C)=O)cc2)c(O)c1 ZINC000793127580 739742554 /nfs/dbraw/zinc/74/25/54/739742554.db2.gz QQDKJNMXCIUKGU-VDBVYFBLSA-N 0 0 362.451 2.699 20 10 FFCDRN C[C@H](Cc1ccsc1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000793788321 739814112 /nfs/dbraw/zinc/81/41/12/739814112.db2.gz IBFBLOXVGYTTHK-LLVKDONJSA-N 0 0 369.537 2.550 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)Nc1ccnn1[C@H]1CCCOC1 ZINC000934672410 739821855 /nfs/dbraw/zinc/82/18/55/739821855.db2.gz JYGQKRKIHRIULE-ZDUSSCGKSA-N 0 0 350.806 2.915 20 10 FFCDRN CC1(O)CCC(N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CC1 ZINC000794789309 739930206 /nfs/dbraw/zinc/93/02/06/739930206.db2.gz APMNWFKZFOSYES-UHFFFAOYSA-N 0 0 352.818 2.503 20 10 FFCDRN CCOC[C@H](C(C)C)N1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000794790835 739930467 /nfs/dbraw/zinc/93/04/67/739930467.db2.gz QKDLWCAWDATXQU-CQSZACIVSA-N 0 0 354.834 2.871 20 10 FFCDRN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc(O)c(OC)c2)ccc1C ZINC000795363224 740010427 /nfs/dbraw/zinc/01/04/27/740010427.db2.gz VHKUGUYUPLTLRM-UHFFFAOYSA-N 0 0 365.407 2.687 20 10 FFCDRN O=S(=O)(Nc1c2c(ccc1Cl)OCC2)c1cccc2nonc21 ZINC000795662047 740050001 /nfs/dbraw/zinc/05/00/01/740050001.db2.gz GNNIXHMMFFWKJT-UHFFFAOYSA-N 0 0 351.771 2.612 20 10 FFCDRN COC(=O)c1ncc(NCc2ccc(N3CCOCC3)cc2)cc1Cl ZINC000795808756 740066747 /nfs/dbraw/zinc/06/67/47/740066747.db2.gz PPZRIFYIIPZSHP-UHFFFAOYSA-N 0 0 361.829 2.970 20 10 FFCDRN COc1ccc(CNC(=O)C(=O)Nc2c(F)cc(Cl)cc2F)c(O)c1 ZINC000797389122 740241838 /nfs/dbraw/zinc/24/18/38/740241838.db2.gz QFGHDSNKYWZHBM-UHFFFAOYSA-N 0 0 370.739 2.587 20 10 FFCDRN Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1cccc(Br)c1O ZINC000799003474 740380431 /nfs/dbraw/zinc/38/04/31/740380431.db2.gz YCMXBEIXXDGVFN-NSHDSACASA-N 0 0 364.243 2.625 20 10 FFCDRN Cc1cc(NS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c(C)c(C)c1O ZINC000799123851 740389480 /nfs/dbraw/zinc/38/94/80/740389480.db2.gz JGPWQXSWWIZHKF-UHFFFAOYSA-N 0 0 368.842 2.871 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1cn2c(n1)CCCC2 ZINC000799728732 740446103 /nfs/dbraw/zinc/44/61/03/740446103.db2.gz FXLPXWPTMHAIIG-UHFFFAOYSA-N 0 0 350.216 2.618 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCNC(=O)C3)cc2Cl)C1 ZINC000800048435 740478099 /nfs/dbraw/zinc/47/80/99/740478099.db2.gz BCKDSPQFSMGUMZ-DZGCQCFKSA-N 0 0 363.889 2.719 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)C(=O)NCCF)c(C)n1-c1cccc(Cl)c1 ZINC000800598357 740537926 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COC(=O)[C@@H]1CCC[C@H](C(=O)NCc2cc(Br)ccc2O)C1 ZINC000804739898 740902272 /nfs/dbraw/zinc/90/22/72/740902272.db2.gz XVPUCOUOWMCLPK-WDEREUQCSA-N 0 0 370.243 2.750 20 10 FFCDRN CC1(C)[C@H](NC(=O)NCc2cc(Br)ccc2O)[C@@H]2CCO[C@H]21 ZINC000805147805 740946069 /nfs/dbraw/zinc/94/60/69/740946069.db2.gz MNRBKZZAVNCNKY-IACUBPJLSA-N 0 0 369.259 2.767 20 10 FFCDRN O=C(NCc1cc(Cl)cc(Cl)c1[O-])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000805181322 740947991 /nfs/dbraw/zinc/94/79/91/740947991.db2.gz JAGQHMQTSSJTMC-JTQLQIEISA-N 0 0 358.269 2.983 20 10 FFCDRN CC[C@@H]([NH2+]CCN1CCN(C(C)=O)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC000806131312 741042086 /nfs/dbraw/zinc/04/20/86/741042086.db2.gz IQWUVFLVFQFLPD-MRXNPFEDSA-N 0 0 374.312 2.904 20 10 FFCDRN CC(C)C[C@@H]1CCN(C(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806277435 741049414 /nfs/dbraw/zinc/04/94/14/741049414.db2.gz CBHDRSHHBUJILP-ZDUSSCGKSA-N 0 0 355.529 2.636 20 10 FFCDRN CS[C@H]1CCCCN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000807672186 741147964 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O=C1OCCN1C1CC[NH+](Cc2cccc(Br)c2[O-])CC1 ZINC000827741364 744969163 /nfs/dbraw/zinc/96/91/63/744969163.db2.gz QWEAGOYZURTYPG-UHFFFAOYSA-N 0 0 355.232 2.571 20 10 FFCDRN CSCC[C@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1ccccc1O ZINC000827922912 745002089 /nfs/dbraw/zinc/00/20/89/745002089.db2.gz CUCRZJTZOLKSLL-OCCSQVGLSA-N 0 0 362.451 2.714 20 10 FFCDRN C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C1CCN(CC(F)(F)F)CC1 ZINC000829595938 745230478 /nfs/dbraw/zinc/23/04/78/745230478.db2.gz USZNEPAILDMUIN-SECBINFHSA-N 0 0 364.339 2.630 20 10 FFCDRN Cc1cc(C(=O)OCCCO)c(C)n1-c1ccc(Br)cn1 ZINC000829764074 745256681 /nfs/dbraw/zinc/25/66/81/745256681.db2.gz FZMGOOBFSWHWKL-UHFFFAOYSA-N 0 0 353.216 2.791 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C[C@@H](C)[C@@H]3CCCO3)CC2)cc1F ZINC000829869471 745272449 /nfs/dbraw/zinc/27/24/49/745272449.db2.gz RCHLFPRGAWNZJH-PBHICJAKSA-N 0 0 350.434 2.688 20 10 FFCDRN CCOC[C@H](C)CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000830119438 745310862 /nfs/dbraw/zinc/31/08/62/745310862.db2.gz 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746703660 /nfs/dbraw/zinc/70/36/60/746703660.db2.gz LAQSWJRQDPCHSZ-UHFFFAOYSA-N 0 0 353.413 2.743 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ncc(OC)s1 ZINC000839547213 746852360 /nfs/dbraw/zinc/85/23/60/746852360.db2.gz GEBNLMRMSHUNPG-UHFFFAOYSA-N 0 0 363.439 2.625 20 10 FFCDRN COC(=O)[C@H]1CSCCN(Cc2cc(Cl)cc(C(C)=O)c2O)C1 ZINC000839676453 746889828 /nfs/dbraw/zinc/88/98/28/746889828.db2.gz LBZFNIVRFOLCSA-GFCCVEGCSA-N 0 0 357.859 2.586 20 10 FFCDRN C[C@H](CC(=O)NCc1cccc(Br)c1O)c1cnn(C)c1 ZINC000839738691 746907637 /nfs/dbraw/zinc/90/76/37/746907637.db2.gz CMOQQFOXPILGNN-SNVBAGLBSA-N 0 0 352.232 2.698 20 10 FFCDRN CC(=O)Nc1nc(C(=O)N[C@H](C)Cc2ccc(N(C)C)cc2C)cs1 ZINC000839917036 746960758 /nfs/dbraw/zinc/96/07/58/746960758.db2.gz YDHYMAPJYWMTRZ-GFCCVEGCSA-N 0 0 360.483 2.837 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)CSc1nncs1 ZINC000839919448 746960790 /nfs/dbraw/zinc/96/07/90/746960790.db2.gz QUQZRUSXASZARR-GFCCVEGCSA-N 0 0 350.513 2.752 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc(N2CCSCC2)cc1)[C@@H](O)C(C)C ZINC000840256977 747049987 /nfs/dbraw/zinc/04/99/87/747049987.db2.gz GEQFPQAOYNOBAZ-MSOLQXFVSA-N 0 0 365.543 2.835 20 10 FFCDRN C[C@H]1[C@@H](CO)CCCN1C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000840257349 747050089 /nfs/dbraw/zinc/05/00/89/747050089.db2.gz IDOYQIVVEZLCJF-DOTOQJQBSA-N 0 0 363.527 2.542 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@@H](C)c3csnn3)CC2)cc1 ZINC000840283292 747055589 /nfs/dbraw/zinc/05/55/89/747055589.db2.gz LCGCXJHDXPGEQH-LBPRGKRZSA-N 0 0 361.471 2.576 20 10 FFCDRN CCOc1nccnc1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000840326367 747066183 /nfs/dbraw/zinc/06/61/83/747066183.db2.gz SUGBUVNUQDRBPJ-UHFFFAOYSA-N 0 0 350.369 2.602 20 10 FFCDRN CN(C)c1ccc(CN(C)S(=O)(=O)CCOCC2CCCC2)cc1 ZINC000841476073 747360895 /nfs/dbraw/zinc/36/08/95/747360895.db2.gz GSSWWPJPVYRUEG-UHFFFAOYSA-N 0 0 354.516 2.721 20 10 FFCDRN C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)cc1[O-] ZINC000841752017 747448691 /nfs/dbraw/zinc/44/86/91/747448691.db2.gz PYGSNTCRDHBXGB-LLVKDONJSA-N 0 0 358.891 2.653 20 10 FFCDRN C[C@H]([NH2+]CC1(N2CCOCC2)CCOCC1)c1ccc(Cl)cc1[O-] ZINC000841758015 747451697 /nfs/dbraw/zinc/45/16/97/747451697.db2.gz RCXKFDGGLMQFSL-AWEZNQCLSA-N 0 0 354.878 2.578 20 10 FFCDRN CC[C@@H](C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@H](C)O ZINC000842229376 747552253 /nfs/dbraw/zinc/55/22/53/747552253.db2.gz IGQDZOZVSVFCHS-BLLLJJGKSA-N 0 0 356.413 2.780 20 10 FFCDRN Cc1cc(Br)c([O-])c(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000842721124 747668276 /nfs/dbraw/zinc/66/82/76/747668276.db2.gz PZTRVYMWBDQGNU-ZDUSSCGKSA-N 0 0 355.276 2.952 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@H]1CCC(=O)C1 ZINC000843784125 747893856 /nfs/dbraw/zinc/89/38/56/747893856.db2.gz LEHLSWJLSVNVBH-GFCCVEGCSA-N 0 0 352.381 2.742 20 10 FFCDRN COCCONC(=O)c1cc(C)n(-c2ccc(Br)cn2)c1C ZINC000843816011 747902390 /nfs/dbraw/zinc/90/23/90/747902390.db2.gz ZHGAKYPXSCHJML-UHFFFAOYSA-N 0 0 368.231 2.559 20 10 FFCDRN CCOC(=O)C1(C(=O)NCc2cc(Br)ccc2O)CCCC1 ZINC000843885964 747919738 /nfs/dbraw/zinc/91/97/38/747919738.db2.gz LFBZMKMWQVMVLC-UHFFFAOYSA-N 0 0 370.243 2.894 20 10 FFCDRN CCOC(=O)Cc1csc(NC(=O)NCc2cc(Cl)ccc2O)n1 ZINC000844482017 748039489 /nfs/dbraw/zinc/03/94/89/748039489.db2.gz NVUKGHIMYJSMGY-UHFFFAOYSA-N 0 0 369.830 2.929 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)Nc1cnn(C[C@H]2CCCO2)c1 ZINC000844544039 748049742 /nfs/dbraw/zinc/04/97/42/748049742.db2.gz MWBXGGTVCSSRPC-CQSZACIVSA-N 0 0 350.806 2.743 20 10 FFCDRN Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1cc(Cl)ccc1O ZINC000844649167 748064801 /nfs/dbraw/zinc/06/48/01/748064801.db2.gz DYYANVUBYBKKCX-CQSZACIVSA-N 0 0 350.806 2.952 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)CCC(=O)OC(C)(C)C)cc1 ZINC000844857250 748117698 /nfs/dbraw/zinc/11/76/98/748117698.db2.gz ZLDVGWKUYPXQPO-UHFFFAOYSA-N 0 0 350.459 2.712 20 10 FFCDRN O=C(COC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc(O)c(O)c1 ZINC000845316010 748225944 /nfs/dbraw/zinc/22/59/44/748225944.db2.gz FAMCKYHVIKRTFA-GHMZBOCLSA-N 0 0 362.300 2.571 20 10 FFCDRN O=S(=O)(NC1CC1)c1cc(NCc2cc(F)ccc2O)ccc1F ZINC000845991463 748377299 /nfs/dbraw/zinc/37/72/99/748377299.db2.gz AYNOIBRKNMQPOF-UHFFFAOYSA-N 0 0 354.378 2.723 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)NCC[C@@]2(C)C[C@@]2(F)Cl)cc1 ZINC000846236631 748437148 /nfs/dbraw/zinc/43/71/48/748437148.db2.gz VPSHVLDGGVOWBD-ROUUACIJSA-N 0 0 369.868 2.532 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc([S@](C)=O)cc2)cc1 ZINC000846446195 748480782 /nfs/dbraw/zinc/48/07/82/748480782.db2.gz JVDCJAOOLCENNG-VWLOTQADSA-N 0 0 360.479 2.641 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)Cc2c(C)noc2Cl)cc1 ZINC000846446480 748481524 /nfs/dbraw/zinc/48/15/24/748481524.db2.gz MHPUDMABMSKJLG-UHFFFAOYSA-N 0 0 351.834 2.782 20 10 FFCDRN CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846472000 748486864 /nfs/dbraw/zinc/48/68/64/748486864.db2.gz FBTQXLHQSMMPBX-LBPRGKRZSA-N 0 0 356.875 2.609 20 10 FFCDRN COCCN(CC(=O)NCc1cc(Cl)ccc1O)C(=O)OC(C)(C)C ZINC000846476185 748489026 /nfs/dbraw/zinc/48/90/26/748489026.db2.gz LQJKJVBYYLMGSD-UHFFFAOYSA-N 0 0 372.849 2.545 20 10 FFCDRN CN(C[C@H]1CCN(S(C)(=O)=O)C1)c1ccc(-c2nccs2)cc1 ZINC000846991976 748593566 /nfs/dbraw/zinc/59/35/66/748593566.db2.gz IHIYMJCRXKRAGE-CYBMUJFWSA-N 0 0 351.497 2.528 20 10 FFCDRN CC1(NC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CC=CC1 ZINC000847383402 748689855 /nfs/dbraw/zinc/68/98/55/748689855.db2.gz AUIADYODRBDNJV-UHFFFAOYSA-N 0 0 351.397 2.709 20 10 FFCDRN COc1cccc(S(=O)(=O)N[C@H](C)c2ccc(N(C)C)cc2)c1F ZINC000848449677 748928718 /nfs/dbraw/zinc/92/87/18/748928718.db2.gz VISMGRNTQNHLFW-GFCCVEGCSA-N 0 0 352.431 2.940 20 10 FFCDRN COc1c(O)c(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000848927277 749036802 /nfs/dbraw/zinc/03/68/02/749036802.db2.gz DSIBTBMIJSWCAB-ZYHUDNBSSA-N 0 0 364.320 2.899 20 10 FFCDRN CO[C@H](COC(=O)c1sc2nc(C)cc(C)c2c1N)[C@@H]1CCOC1 ZINC000849660496 749195657 /nfs/dbraw/zinc/19/56/57/749195657.db2.gz QQNDVNSCWPDJLD-VXGBXAGGSA-N 0 0 350.440 2.704 20 10 FFCDRN Cc1sc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)nc1C(C)C ZINC000850338305 749344181 /nfs/dbraw/zinc/34/41/81/749344181.db2.gz CHPOEONKUSQDRI-UHFFFAOYSA-N 0 0 360.483 2.896 20 10 FFCDRN C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000850532538 749383055 /nfs/dbraw/zinc/38/30/55/749383055.db2.gz VMSSHLRTEYBBDC-GFCCVEGCSA-N 0 0 356.444 2.699 20 10 FFCDRN COc1cc(F)ccc1S(=O)(=O)NCc1ccc2c(c1)CCCN2C ZINC000851759406 749665080 /nfs/dbraw/zinc/66/50/80/749665080.db2.gz UENLFWBAFGJKAX-UHFFFAOYSA-N 0 0 364.442 2.695 20 10 FFCDRN C[C@@H]1CCC[C@H](CNC(=O)NCc2ccc(N3CCSCC3)cc2)O1 ZINC000851991709 749745233 /nfs/dbraw/zinc/74/52/33/749745233.db2.gz UXBBHQVQEGJXEK-CRAIPNDOSA-N 0 0 363.527 2.997 20 10 FFCDRN COc1ccc(N2CC[C@@H](Nc3ccc(S(C)(=O)=O)cc3F)C2)cc1 ZINC000853760633 750155383 /nfs/dbraw/zinc/15/53/83/750155383.db2.gz LWPZRXCDPVLIMB-CYBMUJFWSA-N 0 0 364.442 2.929 20 10 FFCDRN CC(C)c1nnc(NCc2ccc(N3CCS(=O)(=O)CC3)cc2)s1 ZINC000853791481 750165257 /nfs/dbraw/zinc/16/52/57/750165257.db2.gz OBOULVCLXMUYQK-UHFFFAOYSA-N 0 0 366.512 2.508 20 10 FFCDRN CC(C)(C)N1C[C@H](CNC(=O)NCCCSc2nccs2)CC1=O ZINC000853857444 750183726 /nfs/dbraw/zinc/18/37/26/750183726.db2.gz CJLYHZUXBUDSRV-LBPRGKRZSA-N 0 0 370.544 2.572 20 10 FFCDRN CC(C)(C)OC(=O)N1CCN(C(=O)C2=CC(=O)CS2)[C@H](C(F)F)C1 ZINC000854481568 750316389 /nfs/dbraw/zinc/31/63/89/750316389.db2.gz KNEZRWZNGSVBLW-JTQLQIEISA-N 0 0 362.398 2.780 20 10 FFCDRN Cc1cc(CC(=O)NCCS(=O)(=O)C(C)C)c(C)n1-c1ccccc1 ZINC000854492674 750319560 /nfs/dbraw/zinc/31/95/60/750319560.db2.gz LCNNKYXIVDDKAW-UHFFFAOYSA-N 0 0 362.495 2.576 20 10 FFCDRN O=C(N[C@@H]1CCCC[C@H]1NC(=O)C1=CC(=O)CS1)C1=CC(=O)CS1 ZINC000855082180 750422987 /nfs/dbraw/zinc/42/29/87/750422987.db2.gz XTYZLTNKYDFDGO-VXGBXAGGSA-N 0 0 366.464 2.692 20 10 FFCDRN COc1ccc(N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000055669597 845337607 /nfs/dbraw/zinc/33/76/07/845337607.db2.gz QFMJSXMZQPIHNC-UHFFFAOYSA-N 0 0 360.479 2.905 20 10 FFCDRN Cc1cccc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1F ZINC000180523306 970826904 /nfs/dbraw/zinc/82/69/04/970826904.db2.gz VDGDPJVOTNTPMQ-UHFFFAOYSA-N 0 0 355.413 2.771 20 10 FFCDRN Cc1ccc([C@@H](CNC(=O)c2ccc(C)c(O)c2O)N2CCOCC2)cc1 ZINC000182148768 970999905 /nfs/dbraw/zinc/99/99/05/970999905.db2.gz FRLCMUAEOYSEEM-GOSISDBHSA-N 0 0 370.449 2.518 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCCc2nn(C)c3ccccc23)cc1 ZINC000185497173 971291779 /nfs/dbraw/zinc/29/17/79/971291779.db2.gz XMBXHHWAHKVHMU-UHFFFAOYSA-N 0 0 351.454 2.681 20 10 FFCDRN O=C(NC[C@H]1CC[C@@H](O)C1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888587144 1013070078 /nfs/dbraw/zinc/07/00/78/1013070078.db2.gz BJPVSNWITKWUQE-UONOGXRCSA-N 0 0 351.410 2.679 20 10 FFCDRN COc1ccc(CCC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cn1 ZINC000896269617 971388641 /nfs/dbraw/zinc/38/86/41/971388641.db2.gz JUTNMXCASAJKCD-GOSISDBHSA-N 0 0 370.449 2.936 20 10 FFCDRN CC(=O)c1cncc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000896270591 971391672 /nfs/dbraw/zinc/39/16/72/971391672.db2.gz RUMIOQXYXSJMRB-GOSISDBHSA-N 0 0 354.406 2.811 20 10 FFCDRN COc1ccc(N(C)CC(O)CN(C)c2ccc(OC)c(F)c2)cc1F ZINC000194636616 971884840 /nfs/dbraw/zinc/88/48/40/971884840.db2.gz AOFFOPRGKBSTAL-UHFFFAOYSA-N 0 0 366.408 2.916 20 10 FFCDRN CCOC(=O)[C@H](C)NC(=O)c1ccc(NCc2cc(C)ccc2O)cc1 ZINC000195154236 971925873 /nfs/dbraw/zinc/92/58/73/971925873.db2.gz LIFSNPVTFJZUMS-AWEZNQCLSA-N 0 0 356.422 2.994 20 10 FFCDRN CC(C)c1ccc(O)c(C[N@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c1 ZINC001603106939 972181519 /nfs/dbraw/zinc/18/15/19/972181519.db2.gz JSGUNOABLPZTHV-RDJZCZTQSA-N 0 0 357.454 2.939 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2CCc3c[nH]nc3C2)CCCC1 ZINC000651560738 972237462 /nfs/dbraw/zinc/23/74/62/972237462.db2.gz KTVFITIPLDPGOA-UHFFFAOYSA-N 0 0 364.449 2.837 20 10 FFCDRN CC(=O)N/C(=C\c1ccccc1)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000255000013 959819666 /nfs/dbraw/zinc/81/96/66/959819666.db2.gz SQMVNJZTLIFYBK-PDGQHHTCSA-N 0 0 355.413 2.685 20 10 FFCDRN Cc1cc(C(=O)NCc2nc(C(N)=O)cs2)c(C)n1-c1ccccc1C ZINC001167196726 960384611 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COc1ccc(CNC(=O)NCCc2cccc3oc(C)nc32)c(O)c1 ZINC000926939618 1018300961 /nfs/dbraw/zinc/30/09/61/1018300961.db2.gz WTFVCTXRALUCGB-UHFFFAOYSA-N 0 0 355.394 2.892 20 10 FFCDRN O=C(NC1CCN(C(=O)c2cccc(O)c2O)CC1)OCc1ccccc1 ZINC000827513958 1018365064 /nfs/dbraw/zinc/36/50/64/1018365064.db2.gz ABDADIOSHBVSQX-UHFFFAOYSA-N 0 0 370.405 2.629 20 10 FFCDRN C/C(=C/C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1)c1cnccn1 ZINC000827556712 1018478074 /nfs/dbraw/zinc/47/80/74/1018478074.db2.gz BHVIXDRHVUZINM-HKBKRHGFSA-N 0 0 353.422 2.793 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCCOC2CCOCC2)C2CC2)cc1 ZINC000927499027 1018550200 /nfs/dbraw/zinc/55/02/00/1018550200.db2.gz IRKZNAUHQOXJEX-UHFFFAOYSA-N 0 0 361.486 2.622 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@]2(c3ccccc3)CCCO2)c1O ZINC000927676650 1018617950 /nfs/dbraw/zinc/61/79/50/1018617950.db2.gz QFBYLZNDFQEBCY-FQEVSTJZSA-N 0 0 356.422 2.906 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC[C@H](C4OCCO4)C3)ccc21 ZINC000928001754 1018735763 /nfs/dbraw/zinc/73/57/63/1018735763.db2.gz SVYVXTJTNCXZIX-KRWDZBQOSA-N 0 0 372.465 2.740 20 10 FFCDRN CCn1c(CCCNC(=O)C(C)(C)C)nnc1N(C)Cc1ccccc1O ZINC000828620818 1032781653 /nfs/dbraw/zinc/78/16/53/1032781653.db2.gz GFAXCLCGGIDOIL-UHFFFAOYSA-N 0 0 373.501 2.735 20 10 FFCDRN CN(C)c1ccc(CN2CCN(c3nccn3C)CC2)c(C(F)(F)F)c1 ZINC000827884401 1018903164 /nfs/dbraw/zinc/90/31/64/1018903164.db2.gz AYBCWJMBZXFCTG-UHFFFAOYSA-N 0 0 367.419 2.827 20 10 FFCDRN Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N[C@H](C)c1ccccc1O ZINC000827922930 1019001195 /nfs/dbraw/zinc/00/11/95/1019001195.db2.gz DPBLKAUFKRINPH-CYBMUJFWSA-N 0 0 374.462 2.632 20 10 FFCDRN C[C@@H](NC(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O)c1ccccc1O ZINC000827923347 1019001748 /nfs/dbraw/zinc/00/17/48/1019001748.db2.gz PJPPROTYZWOEEO-CYBMUJFWSA-N 0 0 374.462 2.595 20 10 FFCDRN CC[NH+]1CCN(c2cccc(NC(=O)c3c(F)ccc(O)c3[O-])c2)CC1 ZINC000828756535 1032825417 /nfs/dbraw/zinc/82/54/17/1032825417.db2.gz ZBRAHECZPSEGSR-UHFFFAOYSA-N 0 0 359.401 2.631 20 10 FFCDRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N[C@H](C)c2ccccc2O)cc1 ZINC000827946733 1019396532 /nfs/dbraw/zinc/39/65/32/1019396532.db2.gz QRPJNCAURMSKHX-KDOFPFPSSA-N 0 0 368.433 2.883 20 10 FFCDRN COC(=O)[C@@]1(C(=O)NCc2ccc(N(C)C)cc2)C[C@@H]1c1ccccc1 ZINC000929404686 1019409730 /nfs/dbraw/zinc/40/97/30/1019409730.db2.gz LFWXRFPUYNUPLG-NQIIRXRSSA-N 0 0 352.434 2.716 20 10 FFCDRN CC(C)[C@H](NC(=O)COc1ccccc1)C(=O)N[C@H](C)c1ccccc1O ZINC000827952268 1019474937 /nfs/dbraw/zinc/47/49/37/1019474937.db2.gz MARQUWRHCLKMSB-QRWLVFNGSA-N 0 0 370.449 2.789 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1nncc2ccccc21 ZINC000929536343 1019490704 /nfs/dbraw/zinc/49/07/04/1019490704.db2.gz ADXUXJPFNJASRZ-UHFFFAOYSA-N 0 0 362.433 2.739 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)N[C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000802225140 1019905419 /nfs/dbraw/zinc/90/54/19/1019905419.db2.gz YKNFMOJUKIHUOQ-DJIMGWMZSA-N 0 0 359.470 2.713 20 10 FFCDRN Cc1cc(C(=O)CN2C(=O)NC[C@@H](C)C2=O)c(C)n1-c1ccc(Cl)cn1 ZINC000902154275 1019910409 /nfs/dbraw/zinc/91/04/09/1019910409.db2.gz HGQLMCJZZMGARB-SNVBAGLBSA-N 0 0 374.828 2.513 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CSC(c2ccccc2O)=N1 ZINC000827955362 1020108016 /nfs/dbraw/zinc/10/80/16/1020108016.db2.gz FRUQOVRXTHVQLR-QGZVFWFLSA-N 0 0 369.490 2.945 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2O)[C@H]1Oc1ccccc1 ZINC000828862702 1032877076 /nfs/dbraw/zinc/87/70/76/1032877076.db2.gz XPQRQPASXUQERU-DDUZABMNSA-N 0 0 361.369 2.592 20 10 FFCDRN O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1c(F)ccc(O)c1O ZINC000828860865 1032877219 /nfs/dbraw/zinc/87/72/19/1032877219.db2.gz IYMKFHGYJUPZTK-UHFFFAOYSA-N 0 0 374.290 2.546 20 10 FFCDRN C[C@H](NC(=O)c1c2c(ccc1F)OCO2)c1ccc(N2CCOCC2)cc1 ZINC000930745436 1020158859 /nfs/dbraw/zinc/15/88/59/1020158859.db2.gz XSRJPQPPMNCCMR-ZDUSSCGKSA-N 0 0 372.396 2.882 20 10 FFCDRN Cc1cc(C)n2nc(NC(=O)NCc3ccc(N4CCCC4)cc3)nc2n1 ZINC000725855434 1020271358 /nfs/dbraw/zinc/27/13/58/1020271358.db2.gz UTRVYYKCQYWCCL-UHFFFAOYSA-N 0 0 365.441 2.663 20 10 FFCDRN C[C@H](NC(=S)NCCc1ccccn1)c1ccc(N2CCOCC2)cc1 ZINC000726131737 1020420387 /nfs/dbraw/zinc/42/03/87/1020420387.db2.gz PMYAXXRQSSRSJX-INIZCTEOSA-N 0 0 370.522 2.686 20 10 FFCDRN Cc1cc(CCNC(=O)C2(C(=O)NC3CC3)CC2)c(C)n1-c1ccccc1 ZINC000726158211 1020424382 /nfs/dbraw/zinc/42/43/82/1020424382.db2.gz ZPONYBSXLJDBFY-UHFFFAOYSA-N 0 0 365.477 2.812 20 10 FFCDRN Cc1nccn1CCNC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000726253936 1020445167 /nfs/dbraw/zinc/44/51/67/1020445167.db2.gz UZGBTRCPMYITHY-UHFFFAOYSA-N 0 0 354.410 2.902 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCCN(C(=O)OC)C2)cc1 ZINC000726612394 1020494087 /nfs/dbraw/zinc/49/40/87/1020494087.db2.gz ZAKPWWQKCJGXRY-MRXNPFEDSA-N 0 0 362.474 2.563 20 10 FFCDRN CO[C@@H](C)CCNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726713611 1020511572 /nfs/dbraw/zinc/51/15/72/1020511572.db2.gz JRRNPEYPTHSKQX-ZDUSSCGKSA-N 0 0 371.428 2.981 20 10 FFCDRN Cc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCC3)cc2)c(O)c1O ZINC000727004271 1020570391 /nfs/dbraw/zinc/57/03/91/1020570391.db2.gz QQDMNXAEOURQSW-UHFFFAOYSA-N 0 0 370.405 2.802 20 10 FFCDRN O=C(c1c(F)ccc(O)c1O)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000900749742 1020629497 /nfs/dbraw/zinc/62/94/97/1020629497.db2.gz BNXLDFOEZBBVIF-MRVPVSSYSA-N 0 0 371.290 2.675 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2cccc(C(C)(F)F)c2)c1O ZINC000187416274 1020660390 /nfs/dbraw/zinc/66/03/90/1020660390.db2.gz LJLCZBRGAUCQOI-UHFFFAOYSA-N 0 0 364.348 2.767 20 10 FFCDRN Cc1cc(C(=O)OCC(=O)c2cnnn2C)c(C)n1-c1cccc(Cl)c1 ZINC000803311497 1020760045 /nfs/dbraw/zinc/76/00/45/1020760045.db2.gz WEWFJEHCMPJYEZ-UHFFFAOYSA-N 0 0 372.812 2.916 20 10 FFCDRN COc1cc(O[C@H]2CCC[NH2+]CC2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001217995291 1032939237 /nfs/dbraw/zinc/93/92/37/1032939237.db2.gz NKMASASYSAXPPT-NSHDSACASA-N 0 0 371.389 2.887 20 10 FFCDRN C[C@@H]1COc2ccccc2N1CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000749366270 1020956029 /nfs/dbraw/zinc/95/60/29/1020956029.db2.gz INMGHYGTNOKBMW-MRXNPFEDSA-N 0 0 353.466 2.999 20 10 FFCDRN Cc1cccc(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000933826091 1021099439 /nfs/dbraw/zinc/09/94/39/1021099439.db2.gz XVAVRQGFHXJKID-UHFFFAOYSA-N 0 0 370.424 2.594 20 10 FFCDRN COc1nc(Cl)c(CN(C)Cc2ccc(N3CCOCC3)cc2)n1C ZINC001116439556 1021218049 /nfs/dbraw/zinc/21/80/49/1021218049.db2.gz GWRRQKPLZOJCLI-UHFFFAOYSA-N 0 0 364.877 2.551 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)NCc1ccc(NC(=O)C2CC2)cc1 ZINC001116501934 1021249622 /nfs/dbraw/zinc/24/96/22/1021249622.db2.gz LDWCJHDCSHEUAL-ONNFQVAWSA-N 0 0 352.390 2.776 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccnn1C1CC1 ZINC000934514491 1021270374 /nfs/dbraw/zinc/27/03/74/1021270374.db2.gz UGHIEWIDIGXNQY-UHFFFAOYSA-N 0 0 359.405 2.515 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)CC2)cc1 ZINC001116742455 1021389736 /nfs/dbraw/zinc/38/97/36/1021389736.db2.gz SIIWOUHXNLTHRY-UHFFFAOYSA-N 0 0 370.409 2.538 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccn(C3CCCCC3)n2)cc1 ZINC001116817654 1021434709 /nfs/dbraw/zinc/43/47/09/1021434709.db2.gz ZMUHCNXRZBHDRO-UHFFFAOYSA-N 0 0 369.469 2.709 20 10 FFCDRN C[C@@H](NC(=O)COc1ccc(C#N)cc1)c1ccc(N2CCOCC2)cc1 ZINC000145479002 1021472342 /nfs/dbraw/zinc/47/23/42/1021472342.db2.gz WYNOPDYIMXWUEK-MRXNPFEDSA-N 0 0 365.433 2.651 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3snnc3C3CC3)CC2)cc1 ZINC001117668971 1021807386 /nfs/dbraw/zinc/80/73/86/1021807386.db2.gz ADRYSNNYOVWTMX-UHFFFAOYSA-N 0 0 358.467 2.777 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc3nsnc3c([N+](=O)[O-])c2)c1 ZINC000778391920 1021899103 /nfs/dbraw/zinc/89/91/03/1021899103.db2.gz ZFIYCHISZWNAAS-QMMMGPOBSA-N 0 0 374.378 2.805 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](CO)c2cnn(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000778401782 1021920696 /nfs/dbraw/zinc/92/06/96/1021920696.db2.gz GJVNXNAAHVXNTP-FQEVSTJZSA-N 0 0 366.465 2.908 20 10 FFCDRN COCC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CC1 ZINC000778622486 1022170007 /nfs/dbraw/zinc/17/00/07/1022170007.db2.gz HNRAWDXMNTZIGD-UHFFFAOYSA-N 0 0 372.387 2.585 20 10 FFCDRN COC[C@@](C)(NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C)C(=O)OC ZINC000155234191 1022229421 /nfs/dbraw/zinc/22/94/21/1022229421.db2.gz VCTICGGMBKGRGK-HXUWFJFHSA-N 0 0 358.438 2.710 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@H]3[C@@H](O)C(F)(F)F)ccc21 ZINC000750637980 1022274556 /nfs/dbraw/zinc/27/45/56/1022274556.db2.gz DFFHUFGCEZJRHE-JKSUJKDBSA-N 0 0 371.403 2.666 20 10 FFCDRN NC(=O)[C@@H]1CCCN(c2ccc(CNc3ncc4ccccc4n3)cc2)C1 ZINC001118804758 1022415077 /nfs/dbraw/zinc/41/50/77/1022415077.db2.gz GRNGISJTEOPNGQ-QGZVFWFLSA-N 0 0 361.449 2.944 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@@]3(C)COc4ccccc4O3)ccc21 ZINC001118812350 1022419108 /nfs/dbraw/zinc/41/91/08/1022419108.db2.gz VWSFJDQENDLHQX-OAQYLSRUSA-N 0 0 352.434 2.915 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N[C@@H]2CCOC[C@@H]2C)cc1 ZINC001118858215 1022444944 /nfs/dbraw/zinc/44/49/44/1022444944.db2.gz XQSWCQVKNCXGRQ-VBKZILBWSA-N 0 0 354.450 2.990 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N2CC(=O)N(C)[C@@H](C)C2)ccc1C ZINC001118862287 1022447277 /nfs/dbraw/zinc/44/72/77/1022447277.db2.gz MEVKARSHMUYLQW-HNNXBMFYSA-N 0 0 367.449 2.518 20 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COc1ccc(O)c([C@H](C)NC(=O)c2cnn(Cc3ccccc3)c2N)c1 ZINC001150542799 1031736917 /nfs/dbraw/zinc/73/69/17/1031736917.db2.gz FCIGHSQPQPZKKP-ZDUSSCGKSA-N 0 0 366.421 2.719 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(Cc3nnc[nH]3)cc2)c1 ZINC001150543646 1031737749 /nfs/dbraw/zinc/73/77/49/1031737749.db2.gz RVJBBMXLUDZTIH-GFCCVEGCSA-N 0 0 352.394 2.601 20 10 FFCDRN COc1cc(Cl)cc(C[NH2+]Cc2cc(S(C)(=O)=O)ccc2F)c1O ZINC001205514709 1031802724 /nfs/dbraw/zinc/80/27/24/1031802724.db2.gz XSAPYDZKHJEJBY-UHFFFAOYSA-N 0 0 373.833 2.887 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001115946423 1032029888 /nfs/dbraw/zinc/02/98/88/1032029888.db2.gz IJWQJWHWJLIETG-GOSISDBHSA-N 0 0 367.449 2.838 20 10 FFCDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2O)C1 ZINC000829817045 1033354161 /nfs/dbraw/zinc/35/41/61/1033354161.db2.gz KXQVKRGALZVTDP-GHMZBOCLSA-N 0 0 368.405 2.803 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCCc3cccnc3)CC2)cc1F ZINC000829869755 1033372709 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COc1cc(C)nc(OC2CC[NH+](Cc3c([O-])cc(F)cc3F)CC2)n1 ZINC001140585523 1035671537 /nfs/dbraw/zinc/67/15/37/1035671537.db2.gz MEEHQLQBQGDHNY-UHFFFAOYSA-N 0 0 365.380 2.821 20 10 FFCDRN OCCN(Cc1cccs1)Cc1ccc(N2CCOCC2)cc1F ZINC001140661774 1035814304 /nfs/dbraw/zinc/81/43/04/1035814304.db2.gz SCQPPPJOZOEFLU-UHFFFAOYSA-N 0 0 350.459 2.718 20 10 FFCDRN COC(=O)[C@@H]1C[C@@H](Oc2ccc(N(C)C)cc2)CN1C(=O)OC(C)(C)C ZINC001227940559 1035821644 /nfs/dbraw/zinc/82/16/44/1035821644.db2.gz MFLMUUVAPNZKHV-CVEARBPZSA-N 0 0 364.442 2.682 20 10 FFCDRN COc1cc2c(cn1)CCN(Cc1ccc(N3CCOCC3)cc1F)C2 ZINC001140667512 1035828075 /nfs/dbraw/zinc/82/80/75/1035828075.db2.gz VPPBTPTZSOJJEL-UHFFFAOYSA-N 0 0 357.429 2.624 20 10 FFCDRN Cc1cc(O)c2c(c1)C(=O)c1cc([O-])cc(O[C@@H]3CCOC[C@@H]3F)c1C2=O ZINC001227993360 1035856376 /nfs/dbraw/zinc/85/63/76/1035856376.db2.gz BERVLCHLOVPSBI-DZGCQCFKSA-N 0 0 372.348 2.687 20 10 FFCDRN CC1=C(Oc2c(O)c(O)ccc2C(=O)c2ccc(O)cc2)C(=O)O[C@@H]1C ZINC001228110795 1035937041 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Cc1cccc(O)c1C[NH+]1CCC2(C[C@@H]2C(=O)NCc2cnoc2)CC1 ZINC001277314621 1036190650 /nfs/dbraw/zinc/19/06/50/1036190650.db2.gz AQZDZKQQELIPRG-QGZVFWFLSA-N 0 0 355.438 2.607 20 10 FFCDRN Cc1cccc(O)c1C[N@@H+]1CC[C@@]2(CCN(Cc3ccncc3)C2=O)C1 ZINC001277316009 1036196201 /nfs/dbraw/zinc/19/62/01/1036196201.db2.gz OUCPXNITUXAICN-OAQYLSRUSA-N 0 0 351.450 2.720 20 10 FFCDRN CCOC[C@@H]1CN(Cc2cc(O)c(O)c(O)c2)Cc2cnn(CC3CC3)c21 ZINC001233011877 1036245092 /nfs/dbraw/zinc/24/50/92/1036245092.db2.gz HLDBXJCMAZCDFT-INIZCTEOSA-N 0 0 373.453 2.546 20 10 FFCDRN COc1cc(N2CCN(Cc3cc(O)c(O)c(O)c3)CC2)ccc1Cl ZINC001233015316 1036251485 /nfs/dbraw/zinc/25/14/85/1036251485.db2.gz KHMIHGBVTUZYFN-UHFFFAOYSA-N 0 0 364.829 2.788 20 10 FFCDRN [O-]c1cc(Br)cc(F)c1C[N@H+]1CCC[C@@](F)(CO)CC1 ZINC001233028501 1036267570 /nfs/dbraw/zinc/26/75/70/1036267570.db2.gz PEXMQHSMBFOKCY-AWEZNQCLSA-N 0 0 350.203 2.980 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)C(=O)c1ccc[nH]1 ZINC000836193154 1036297649 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/nfs/dbraw/zinc/58/99/21/1054589921.db2.gz GIVKCLDLXOVHSH-KBPBESRZSA-N 0 0 356.422 2.641 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccc(C(C)(C)C)nn1 ZINC001348449471 1054702389 /nfs/dbraw/zinc/70/23/89/1054702389.db2.gz IXANWXAKPAVUCZ-UHFFFAOYSA-N 0 0 370.453 2.857 20 10 FFCDRN CN1CCN(c2ccc(CNCc3nnc(C4CC4)s3)cc2F)CC1 ZINC001348500011 1054744044 /nfs/dbraw/zinc/74/40/44/1054744044.db2.gz VHDLWSBGNXKJFF-UHFFFAOYSA-N 0 0 361.490 2.596 20 10 FFCDRN Cc1nc2c(s1)[C@@H](N(C)C(=O)C(=O)N1Cc3cccc(O)c3C1)CCC2 ZINC001348600533 1054813606 /nfs/dbraw/zinc/81/36/06/1054813606.db2.gz YEAUDLRIVCOEGT-HNNXBMFYSA-N 0 0 371.462 2.535 20 10 FFCDRN Cc1cccc(C)c1NC(=O)CN1CCN(Cc2ccc(N)cc2)CC1 ZINC001337837699 1055050054 /nfs/dbraw/zinc/05/00/54/1055050054.db2.gz DEKDGJOFHBVGPU-UHFFFAOYSA-N 0 0 352.482 2.642 20 10 FFCDRN Cc1ccnc(NC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)c1 ZINC001337930216 1055110009 /nfs/dbraw/zinc/11/00/09/1055110009.db2.gz ZYTIAVDPVKMWRQ-UHFFFAOYSA-N 0 0 354.454 2.832 20 10 FFCDRN COc1cccc(N2CCN(c3nnc(C4SC=CC4=O)n3C)CC2)c1 ZINC001338087954 1055222048 /nfs/dbraw/zinc/22/20/48/1055222048.db2.gz OTFGAPQXQUEVOF-UHFFFAOYSA-N 0 0 371.466 2.584 20 10 FFCDRN CS(=O)(=O)c1cccc2c1CCCN2C(=O)/C=C\c1cncc(F)c1 ZINC001356022489 1055224256 /nfs/dbraw/zinc/22/42/56/1055224256.db2.gz KCIRUKINDZOQRM-FPLPWBNLSA-N 0 0 360.410 2.617 20 10 FFCDRN COc1ccc(N2CCC([NH2+][C@H](C)C3(C(=O)[O-])CCOCC3)CC2)cc1 ZINC001356120268 1055305366 /nfs/dbraw/zinc/30/53/66/1055305366.db2.gz VIXCOWSKSURNJC-OAHLLOKOSA-N 0 0 362.470 2.524 20 10 FFCDRN COc1c(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cnn1-c1ccccc1 ZINC001338277182 1055383501 /nfs/dbraw/zinc/38/35/01/1055383501.db2.gz RQOZQGBDCKRORI-ZDUSSCGKSA-N 0 0 367.405 2.653 20 10 FFCDRN CC(C)(C)OC(=O)N1CCC[C@@]2(C[C@@H]2C(=O)NCc2ccc(N)cc2)C1 ZINC000848940874 1055404577 /nfs/dbraw/zinc/40/45/77/1055404577.db2.gz YTRIGCVOLLIFBN-OXQOHEQNSA-N 0 0 359.470 2.922 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@H](C(F)(F)F)O[C@@H](C)C1 ZINC001356279534 1055432097 /nfs/dbraw/zinc/43/20/97/1055432097.db2.gz YQCHCCQAXZFAPG-WCBMZHEXSA-N 0 0 362.377 2.888 20 10 FFCDRN COc1ccc(CCNC(=S)N2CCc3cccc(O)c3C2)cc1OC ZINC001200082129 1055634887 /nfs/dbraw/zinc/63/48/87/1055634887.db2.gz XLIUKIDFIYCZQP-UHFFFAOYSA-N 0 0 372.490 2.885 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)c3cccc4[nH]c(=O)[nH]c43)CC2)cc1 ZINC000847425810 1055756515 /nfs/dbraw/zinc/75/65/15/1055756515.db2.gz UAQKLEOAXHURBW-UHFFFAOYSA-N 0 0 366.421 2.676 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)[C@H]2CC(c3ccccn3)=NO2)C2CC2)cc1 ZINC001352744418 1055757936 /nfs/dbraw/zinc/75/79/36/1055757936.db2.gz NDOGFFIBQOEGHP-HXUWFJFHSA-N 0 0 364.449 2.832 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCCc2nccn2C)CCCC1 ZINC001350512117 1055809215 /nfs/dbraw/zinc/80/92/15/1055809215.db2.gz SVIPMRVMIZTTRT-UHFFFAOYSA-N 0 0 366.465 2.621 20 10 FFCDRN CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)NCc1ccc(N)cc1 ZINC001338798148 1055825778 /nfs/dbraw/zinc/82/57/78/1055825778.db2.gz JLMWNMUSLLICFT-UHFFFAOYSA-N 0 0 352.438 2.503 20 10 FFCDRN C[C@@H]1CN(CC[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CCO1 ZINC001200253430 1056162132 /nfs/dbraw/zinc/16/21/32/1056162132.db2.gz BBZLJUDFUVSKCU-SNVBAGLBSA-N 0 0 363.683 2.618 20 10 FFCDRN CCC[C@@H]1C[C@H]1C(=O)NC[C@@H](C)NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001358225960 1056202298 /nfs/dbraw/zinc/20/22/98/1056202298.db2.gz ATNRIUBWXIGMBN-UXIGCNINSA-N 0 0 359.430 2.520 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cc(C=O)ccc3F)CC2)cc1 ZINC001351499797 1056293101 /nfs/dbraw/zinc/29/31/01/1056293101.db2.gz QCOKFMNDXWZEPK-UHFFFAOYSA-N 0 0 356.397 2.999 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N(CCO)Cc1ccccc1OC ZINC001339368485 1056381819 /nfs/dbraw/zinc/38/18/19/1056381819.db2.gz ZSEVEQDDNNECEA-UHFFFAOYSA-N 0 0 374.466 2.740 20 10 FFCDRN C[C@H](CC(=O)N[C@@H](C)Cc1ccc(O)c(O)c1)N1CCc2ccccc21 ZINC000847695895 1056385578 /nfs/dbraw/zinc/38/55/78/1056385578.db2.gz IMTMGWIWFFQRFK-LSDHHAIUSA-N 0 0 354.450 2.986 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 ZINC001353539616 1056514064 /nfs/dbraw/zinc/51/40/64/1056514064.db2.gz OETIRTGJYVJSRE-QPJJXVBHSA-N 0 0 350.466 2.809 20 10 FFCDRN C[C@H](NC(=O)[C@]1(c2ccccc2)CCC(=O)NC1)c1ccc(N(C)C)cc1 ZINC000847760327 1056558425 /nfs/dbraw/zinc/55/84/25/1056558425.db2.gz IEUKOJHBCIYZPV-KSFYIVLOSA-N 0 0 365.477 2.778 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)OC[C@@H]3CCN(C)C3=O)c2C)cc1 ZINC000847791568 1056628009 /nfs/dbraw/zinc/62/80/09/1056628009.db2.gz ZUFDCGRVYROXHO-HNNXBMFYSA-N 0 0 356.422 2.738 20 10 FFCDRN COc1ccc(CNC(=S)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000849270302 1056815323 /nfs/dbraw/zinc/81/53/23/1056815323.db2.gz AYRBAOHGQSWAIV-INIZCTEOSA-N 0 0 371.506 2.947 20 10 FFCDRN CCOc1cc2c(cc1CNC(=O)Cc1ccc(O)c(O)c1)O[C@H](C)C2 ZINC001443100682 1058181953 /nfs/dbraw/zinc/18/19/53/1058181953.db2.gz HLOHBBLFNGHAJC-GFCCVEGCSA-N 0 0 357.406 2.679 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H](C)c2nnnn2C)c1 ZINC001353860059 1058295857 /nfs/dbraw/zinc/29/58/57/1058295857.db2.gz ZBVJIPQDTYBAEC-GFCCVEGCSA-N 0 0 358.833 2.762 20 10 FFCDRN CN(C)c1ccc(C[NH2+][C@@H]2CCO[C@](C)(C(=O)[O-])C2)c(C(F)(F)F)c1 ZINC001353963692 1058433065 /nfs/dbraw/zinc/43/30/65/1058433065.db2.gz SYKJNHKWEFTZHT-WBMJQRKESA-N 0 0 360.376 2.883 20 10 FFCDRN CCc1nnc(N(C)Cc2ccccc2O)n1CCN(C)CC(F)(F)F ZINC001513792656 1058561688 /nfs/dbraw/zinc/56/16/88/1058561688.db2.gz AOXOTCUVMDTBJN-UHFFFAOYSA-N 0 0 371.407 2.677 20 10 FFCDRN CCc1nnc(N(C)Cc2cnn(C)c2)n1Cc1ccc(N(C)C)cc1C ZINC001513793962 1058563502 /nfs/dbraw/zinc/56/35/02/1058563502.db2.gz MCIJKDUWSWQGNC-UHFFFAOYSA-N 0 0 367.501 2.633 20 10 FFCDRN C[C@H]1CC[C@@](C)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1(C)C ZINC001300519206 1058615080 /nfs/dbraw/zinc/61/50/80/1058615080.db2.gz HPRDMAJGRZCABV-SGTLLEGYSA-N 0 0 368.499 2.956 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCO[C@@H](c2cccc(F)c2)C1 ZINC001519509021 1058792006 /nfs/dbraw/zinc/79/20/06/1058792006.db2.gz QBZCPXJBFXMLGS-CQSZACIVSA-N 0 0 360.414 2.966 20 10 FFCDRN COCCn1c(C2SC=CC2=O)nnc1N1CCCC(F)(F)CC1 ZINC001514773383 1059087470 /nfs/dbraw/zinc/08/74/70/1059087470.db2.gz FSSPFKHQPYEYOI-UHFFFAOYSA-N 0 0 358.414 2.984 20 10 FFCDRN Cc1c(C)n(C)c2ccc(OC(=O)[C@H]3CC34CCS(=O)(=O)CC4)cc12 ZINC001514842683 1059122573 /nfs/dbraw/zinc/12/25/73/1059122573.db2.gz JISFEMNEVLHHHY-MRXNPFEDSA-N 0 0 361.463 2.915 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@H]3CCCC34OCCO4)ccc21 ZINC001453743600 1059405346 /nfs/dbraw/zinc/40/53/46/1059405346.db2.gz ZWVFKFGAIZBNCF-IBGZPJMESA-N 0 0 372.465 2.930 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2cc(-c3ccn(C)c3)n[nH]2)cc1 ZINC000848243623 1059467776 /nfs/dbraw/zinc/46/77/76/1059467776.db2.gz NFURTKNMCKHHCT-UHFFFAOYSA-N 0 0 367.453 2.632 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCc2nc([C@H]3CCCO3)n[nH]2)cc1 ZINC000848275339 1059566295 /nfs/dbraw/zinc/56/62/95/1059566295.db2.gz MNZWUVXAICGNSW-QGZVFWFLSA-N 0 0 365.437 2.994 20 10 FFCDRN CC(C)c1cncc(NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC001515458517 1059666524 /nfs/dbraw/zinc/66/65/24/1059666524.db2.gz MHGBGSKKZRSQPR-UHFFFAOYSA-N 0 0 366.465 2.842 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@@]34CCC[C@]3(OC)OCC4)CC2)cc1 ZINC001355030399 1059796697 /nfs/dbraw/zinc/79/66/97/1059796697.db2.gz AXGPWSIOHVUETM-SFTDATJTSA-N 0 0 374.481 2.667 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NCCCc2nnnn2C)c1 ZINC001355060451 1059841885 /nfs/dbraw/zinc/84/18/85/1059841885.db2.gz LIXLUBDUGNFPEW-UHFFFAOYSA-N 0 0 372.860 2.634 20 10 FFCDRN CC1=C(C(=O)NCc2c(O)ccc3ccccc32)[C@H](C)n2ncnc2N1C ZINC001456309873 1060084879 /nfs/dbraw/zinc/08/48/79/1060084879.db2.gz MMNHEOGKRDDZSB-ZDUSSCGKSA-N 0 0 363.421 2.738 20 10 FFCDRN COc1cccc([C@H]2CN(c3nnc(C4SC=CC4=O)n3C)CCO2)c1 ZINC001355344107 1060151061 /nfs/dbraw/zinc/15/10/61/1060151061.db2.gz IPFBMFOOGCNURZ-OAHLLOKOSA-N 0 0 372.450 2.836 20 10 FFCDRN CCn1c([C@H]2CCc3c[nH]nc3C2)nnc1N(C)Cc1ccccc1O ZINC001520980462 1060270034 /nfs/dbraw/zinc/27/00/34/1060270034.db2.gz GDOPSMWGSCWYEY-ZDUSSCGKSA-N 0 0 352.442 2.636 20 10 FFCDRN CN1C(=O)Cc2cc(CNC(=O)c3cc4cc(O)c(O)cc4s3)ccc21 ZINC001457160299 1060294923 /nfs/dbraw/zinc/29/49/23/1060294923.db2.gz JBIKMCZRFFDZSZ-UHFFFAOYSA-N 0 0 368.414 2.761 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc([C@@H]2CC=NO2)n1C ZINC001355569863 1060369057 /nfs/dbraw/zinc/36/90/57/1060369057.db2.gz DDUXCRXAZPGJLN-KRWDZBQOSA-N 0 0 354.458 2.889 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@H](C)Cc3ccccn3)CC2)cc1 ZINC000848667209 1060423948 /nfs/dbraw/zinc/42/39/48/1060423948.db2.gz IELJEMKMGFGKJK-QGZVFWFLSA-N 0 0 368.481 2.943 20 10 FFCDRN CC(C)(C)OC(=O)C1(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC=CC1 ZINC000849944873 1060916030 /nfs/dbraw/zinc/91/60/30/1060916030.db2.gz ZKUWXRXQBXWMSL-UHFFFAOYSA-N 0 0 362.378 2.502 20 10 FFCDRN CC[C@@](COC)(NC(=O)c1ccc(-n2c(C)ccc2C)cc1)C(=O)OC ZINC001460699558 1061067932 /nfs/dbraw/zinc/06/79/32/1061067932.db2.gz AVMMGFLISVXLLG-FQEVSTJZSA-N 0 0 358.438 2.792 20 10 FFCDRN CC1(C)[C@@H]2CN(c3nnc(C4SC=CC4=O)n3C[C@H]3CCOC3)C[C@@H]21 ZINC001526317336 1061078827 /nfs/dbraw/zinc/07/88/27/1061078827.db2.gz UMLWZSBRKMTWJC-UPJWGTAASA-N 0 0 360.483 2.841 20 10 FFCDRN CCC(CC)CS(=O)(=O)N1CCN(c2ccc(OC)cc2OC)CC1 ZINC001475603232 1061159914 /nfs/dbraw/zinc/15/99/14/1061159914.db2.gz WWQQYXOIWMGNLB-UHFFFAOYSA-N 0 0 370.515 2.592 20 10 FFCDRN Cc1cc(Br)c(O)c(CN[C@H](C(N)=O)c2ccc(F)cc2)c1 ZINC001461417203 1061314531 /nfs/dbraw/zinc/31/45/31/1061314531.db2.gz KMZFRKTVFZNPHX-AWEZNQCLSA-N 0 0 367.218 2.918 20 10 FFCDRN COC(=O)c1ccc2c(n1)CCCN2C(=O)/C=C\c1ccc(Cl)nc1 ZINC001461553018 1061347605 /nfs/dbraw/zinc/34/76/05/1061347605.db2.gz YNGDTAGDRAGJQJ-UITAMQMPSA-N 0 0 357.797 2.909 20 10 FFCDRN COCCN(Cc1c2cc(F)ccc2n(C)c1C(=O)OC)CC(F)F ZINC001461853174 1061428698 /nfs/dbraw/zinc/42/86/98/1061428698.db2.gz MFYGAPWIWMGCBC-UHFFFAOYSA-N 0 0 358.360 2.818 20 10 FFCDRN COC(=O)c1c(F)ccc(NC(=O)NCc2c(O)cccc2F)c1F ZINC001476697171 1061460286 /nfs/dbraw/zinc/46/02/86/1061460286.db2.gz SFLVNFSTAMCYJT-UHFFFAOYSA-N 0 0 354.284 2.918 20 10 FFCDRN O=C(NCC[C@@H](O)C(F)F)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001476768482 1061475603 /nfs/dbraw/zinc/47/56/03/1061475603.db2.gz HZRXWIOKUBQQMC-GFCCVEGCSA-N 0 0 361.352 2.534 20 10 FFCDRN Cn1cc(-c2cc3c(nn2)CCN(Cc2ccc(Cl)cc2O)C3)cn1 ZINC001462475212 1061639073 /nfs/dbraw/zinc/63/90/73/1061639073.db2.gz FBVOGYVZIICAEX-UHFFFAOYSA-N 0 0 355.829 2.794 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1-c1ncco1 ZINC000766410028 1061697803 /nfs/dbraw/zinc/69/78/03/1061697803.db2.gz XEQWBBYHZFQAFA-UHFFFAOYSA-N 0 0 351.362 2.611 20 10 FFCDRN CCn1cccc1C(=O)N(CC(=O)OC)Cc1cc(Cl)ccc1O ZINC001528088146 1061745255 /nfs/dbraw/zinc/74/52/55/1061745255.db2.gz LKXWUXGCYZKIBP-UHFFFAOYSA-N 0 0 350.802 2.682 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccc(-c3ncco3)cc2)c1 ZINC000767157642 1061746713 /nfs/dbraw/zinc/74/67/13/1061746713.db2.gz URGPLIFNZMWXOS-UHFFFAOYSA-N 0 0 373.390 2.671 20 10 FFCDRN Cc1csc([C@@](O)(CC(=O)N(C)c2ccc(N)cc2)C(F)(F)F)n1 ZINC001522216258 1061746657 /nfs/dbraw/zinc/74/66/57/1061746657.db2.gz JBWVVTJAXBTXNR-AWEZNQCLSA-N 0 0 359.373 2.837 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc(OC3CC3)cc2)cc1F ZINC001462942119 1061857108 /nfs/dbraw/zinc/85/71/08/1061857108.db2.gz HKBHFAILQHGGNA-UHFFFAOYSA-N 0 0 364.442 2.911 20 10 FFCDRN CCOCc1cccc(S(=O)(=O)NCc2ccc(N(C)C)c(F)c2)c1 ZINC001462949369 1061858955 /nfs/dbraw/zinc/85/89/55/1061858955.db2.gz YBERJSPIZGKGMN-UHFFFAOYSA-N 0 0 366.458 2.907 20 10 FFCDRN COC(=O)c1cc2ccccc2cc1S(=O)(=O)NCc1ccccc1O ZINC001463153029 1061961973 /nfs/dbraw/zinc/96/19/73/1061961973.db2.gz HBRCTFNSZISDOG-UHFFFAOYSA-N 0 0 371.414 2.811 20 10 FFCDRN C[C@H](NC(=O)NCc1c(O)cccc1F)c1ccc([S@@](C)=O)cc1 ZINC001478374582 1061991815 /nfs/dbraw/zinc/99/18/15/1061991815.db2.gz MRXRUSKVSNTHRG-APXPCNQMSA-N 0 0 350.415 2.829 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)c1cccc2c1OCC2 ZINC001463901985 1062322709 /nfs/dbraw/zinc/32/27/09/1062322709.db2.gz ARSUFUUXSXWNBJ-OAHLLOKOSA-N 0 0 374.506 2.905 20 10 FFCDRN CCOC(=O)c1cc(S(=O)(=O)N[C@@H](C)c2ccccc2O)ccc1F ZINC001464275909 1062518950 /nfs/dbraw/zinc/51/89/50/1062518950.db2.gz XLHBUDNRRGGVOR-NSHDSACASA-N 0 0 367.398 2.748 20 10 FFCDRN O=S(=O)(c1sccc1Br)N1Cc2cccc(O)c2C1 ZINC001464325223 1062546726 /nfs/dbraw/zinc/54/67/26/1062546726.db2.gz BUBPSUCNLQBTIG-UHFFFAOYSA-N 0 0 360.254 2.921 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)COc2ccc(F)cc2F)cc1 ZINC001530898339 1062656830 /nfs/dbraw/zinc/65/68/30/1062656830.db2.gz XNEGEUYQZJRWTA-UHFFFAOYSA-N 0 0 364.392 2.947 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3ccccc3-n3cccn3)C2)cc1 ZINC001531729373 1062862890 /nfs/dbraw/zinc/86/28/90/1062862890.db2.gz DSPUUJJGWRKOHH-MRXNPFEDSA-N 0 0 362.433 2.890 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)Nc1nnc(Cc2ccccc2F)s1 ZINC001465020115 1062947808 /nfs/dbraw/zinc/94/78/08/1062947808.db2.gz HSGZHFYLXAYKGU-UHFFFAOYSA-N 0 0 359.382 2.860 20 10 FFCDRN COc1nsc(C(=O)N(C)Cc2ccccc2O)c1Br ZINC001465844256 1063234975 /nfs/dbraw/zinc/23/49/75/1063234975.db2.gz KTFYUEIEXTZFQL-UHFFFAOYSA-N 0 0 357.229 2.892 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)[C@@H](O)c1ccccc1C(F)(F)F ZINC001465981375 1063288531 /nfs/dbraw/zinc/28/85/31/1063288531.db2.gz LSJVHBMAUZJCKS-HNNXBMFYSA-N 0 0 355.312 2.509 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC001466398456 1063422058 /nfs/dbraw/zinc/42/20/58/1063422058.db2.gz NSRILHWVIJDOSR-IAQYHMDHSA-N 0 0 367.829 2.553 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H]2CCC3(C2)OCCO3)c1 ZINC001466454474 1063441669 /nfs/dbraw/zinc/44/16/69/1063441669.db2.gz JGSJDWTVUAMPHD-GOSISDBHSA-N 0 0 368.433 2.932 20 10 FFCDRN CS(=O)(=O)c1ccc(N)c(C(=O)Nc2cccc(N3CCCCC3)c2)c1 ZINC001442247283 1063514044 /nfs/dbraw/zinc/51/40/44/1063514044.db2.gz CFNLRHIVDFZNET-UHFFFAOYSA-N 0 0 373.478 2.915 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(Nc2cnccn2)c1 ZINC001466790084 1063559088 /nfs/dbraw/zinc/55/90/88/1063559088.db2.gz BMLCADDTTZECTB-CYBMUJFWSA-N 0 0 364.405 2.992 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nnc([C@@H]2CCCO2)s1 ZINC001467161986 1063656540 /nfs/dbraw/zinc/65/65/40/1063656540.db2.gz AWUVHGFFPDWQQJ-ZANVPECISA-N 0 0 364.427 2.554 20 10 FFCDRN C[C@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C3CCCCC3)cc2)C(=O)O1 ZINC001468340494 1063970138 /nfs/dbraw/zinc/97/01/38/1063970138.db2.gz ZEDSGTPRJPYGOY-KBXCAEBGSA-N 0 0 359.470 2.959 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1ccc(Br)[nH]c1=O ZINC001469877559 1064222767 /nfs/dbraw/zinc/22/27/67/1064222767.db2.gz QRGBUNMJKRNKHO-UHFFFAOYSA-N 0 0 357.591 2.839 20 10 FFCDRN Cc1cc(CNC(=O)NC[C@]2(O)CCO[C@@H]2C)c(C)n1-c1cccc(C)c1 ZINC001471036704 1064532805 /nfs/dbraw/zinc/53/28/05/1064532805.db2.gz YYQOJBVCICBHFA-DYESRHJHSA-N 0 0 371.481 2.742 20 10 FFCDRN O=C(NCc1cccc(O)c1O)c1nn(-c2ccc(F)cc2)c2c1CCC2 ZINC001471643090 1064743906 /nfs/dbraw/zinc/74/39/06/1064743906.db2.gz CYDQOUBFLOPUTK-UHFFFAOYSA-N 0 0 367.380 2.841 20 10 FFCDRN NS(=O)(=O)c1ccc(OCCSc2ncc(Cl)s2)cc1 ZINC001473066935 1065191009 /nfs/dbraw/zinc/19/10/09/1065191009.db2.gz UTGGQYXVMLMARP-UHFFFAOYSA-N 0 0 350.874 2.615 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001473574418 1065287877 /nfs/dbraw/zinc/28/78/77/1065287877.db2.gz XGKJVQASHWQUQG-ZFWWWQNUSA-N 0 0 361.360 2.867 20 10 FFCDRN O=C(Cn1cc(NCc2ccc(N3CCCCC3)cc2)cn1)NC1CC1 ZINC001473977787 1065430559 /nfs/dbraw/zinc/43/05/59/1065430559.db2.gz MGARQQDXMDEZJB-UHFFFAOYSA-N 0 0 353.470 2.764 20 10 FFCDRN COc1ccc(O)c(CN2CCO[C@H](c3ccc(OC)c(OC)c3)C2)c1 ZINC001474753663 1065598597 /nfs/dbraw/zinc/59/85/97/1065598597.db2.gz ZTBKTCMFWPOQAK-FQEVSTJZSA-N 0 0 359.422 2.992 20 10 FFCDRN C[C@@H]1Cc2cccc(S(=O)(=O)NCc3ccc(N(C)C)c(F)c3)c2O1 ZINC001474890776 1065638644 /nfs/dbraw/zinc/63/86/44/1065638644.db2.gz BQYLEEHMBCUCFI-GFCCVEGCSA-N 0 0 364.442 2.694 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](c2cn[nH]n2)c2ccccc2)c1 ZINC001577072823 1078300278 /nfs/dbraw/zinc/30/02/78/1078300278.db2.gz PHCZJGRWLLRVMX-SGTLLEGYSA-N 0 0 367.409 2.669 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cc(C)cc(-c3nn[nH]n3)c2)c1 ZINC001580046227 1078738279 /nfs/dbraw/zinc/73/82/79/1078738279.db2.gz HQBWQUCCQVDKRN-NSHDSACASA-N 0 0 368.397 2.772 20 10 FFCDRN CC[C@H](CNC(=O)c1ccc(N=NC(N)=O)cc1)NC(=O)[C@@H]1C[C@H]1CC ZINC001582483031 1079051678 /nfs/dbraw/zinc/05/16/78/1079051678.db2.gz RSHDYFBTTUWBGX-UXIGCNINSA-N 0 0 359.430 2.520 20 10 FFCDRN O=[N+]([O-])c1c(NCc2ccc(N3CC=CC3)cc2)cccc1-c1nn[nH]n1 ZINC001582802334 1079108796 /nfs/dbraw/zinc/10/87/96/1079108796.db2.gz PQNKRFJDRWDVLQ-UHFFFAOYSA-N 0 0 363.381 2.763 20 10 FFCDRN O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1NCCCSc1nccs1 ZINC001582804109 1079109844 /nfs/dbraw/zinc/10/98/44/1079109844.db2.gz JGKQWJRTROESON-UHFFFAOYSA-N 0 0 363.428 2.826 20 10 FFCDRN C=CC(=O)Nc1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 ZINC001583335017 1079195400 /nfs/dbraw/zinc/19/54/00/1079195400.db2.gz RIIYYNHKMGEXOO-UHFFFAOYSA-N 0 0 365.433 2.578 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)[C@H]1CC(=O)N(CC(C)C)C1 ZINC001584089639 1079304816 /nfs/dbraw/zinc/30/48/16/1079304816.db2.gz SADYZMOVYINHNW-AEFFLSMTSA-N 0 0 359.514 2.613 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)/C=C\c2scnc2C)c2ccc(F)cc2O1 ZINC001585159827 1079433251 /nfs/dbraw/zinc/43/32/51/1079433251.db2.gz BPQHMFMLTDUZCK-GXMNPTEKSA-N 0 0 362.382 2.571 20 10 FFCDRN COC[C@@H]1CCCN(c2nnc(C)n2Cc2ccc(N(C)C)c(F)c2)C1 ZINC001555346788 1075658958 /nfs/dbraw/zinc/65/89/58/1075658958.db2.gz YRZPXUMEXVPNPY-MRXNPFEDSA-N 0 0 361.465 2.703 20 10 FFCDRN Cc1ccc(N2CCNC2=O)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001556377900 1075734424 /nfs/dbraw/zinc/73/44/24/1075734424.db2.gz VNXUICDBNBBQRR-UHFFFAOYSA-N 0 0 366.381 2.939 20 10 FFCDRN CCCCC(=O)N1CSC[C@H]1C(=O)C(=O)CC(C)(C)CC(=O)OCC ZINC001556515959 1075748975 /nfs/dbraw/zinc/74/89/75/1075748975.db2.gz TVQKJTMEKCXJKP-ZDUSSCGKSA-N 0 0 371.499 2.586 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)NCc2c[nH]c(=O)[nH]2)ccc1C ZINC001556862190 1075782799 /nfs/dbraw/zinc/78/27/99/1075782799.db2.gz XCHBGMAAJKEEFY-UHFFFAOYSA-N 0 0 352.394 2.574 20 10 FFCDRN Cc1csc2nc(CC(=O)NCc3ccc4cccnc4c3O)cn12 ZINC001557122380 1075811004 /nfs/dbraw/zinc/81/10/04/1075811004.db2.gz HZMMKIQNGGENFT-UHFFFAOYSA-N 0 0 352.419 2.817 20 10 FFCDRN O=C(NCc1cc(Cl)ccc1O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001557386203 1075844352 /nfs/dbraw/zinc/84/43/52/1075844352.db2.gz QOYYPWPIXPQIES-UHFFFAOYSA-N 0 0 350.714 2.613 20 10 FFCDRN CCn1cc(Cl)c(C(=O)NC[C@@H]2CCN(c3ccc(OC)cc3)C2)n1 ZINC001585665166 1079485423 /nfs/dbraw/zinc/48/54/23/1079485423.db2.gz MYLNNPCDUZRQNX-ZDUSSCGKSA-N 0 0 362.861 2.821 20 10 FFCDRN O=C(N[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1)c1cc2cc(O)c(O)cc2s1 ZINC001557905960 1075909776 /nfs/dbraw/zinc/90/97/76/1075909776.db2.gz OWCXXYSNFKQCEL-DIFFPNOSSA-N 0 0 372.402 2.673 20 10 FFCDRN CNC(=O)c1cncc(/C=C/C(=O)NCc2c(O)ccc3ccccc32)c1 ZINC001558553942 1076031820 /nfs/dbraw/zinc/03/18/20/1076031820.db2.gz GXUVMAGKFPCBTF-RMKNXTFCSA-N 0 0 361.401 2.630 20 10 FFCDRN COCc1nnc2n1CCN(Cc1ccc(N3CCCCC3)c(C)c1)C2 ZINC001559973915 1076209546 /nfs/dbraw/zinc/20/95/46/1076209546.db2.gz MBWLOQLNPLFJOG-UHFFFAOYSA-N 0 0 355.486 2.739 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cnc(OC)s2)cc1 ZINC001561104232 1076332884 /nfs/dbraw/zinc/33/28/84/1076332884.db2.gz BDKRJUSKWJDDGB-UHFFFAOYSA-N 0 0 369.512 2.819 20 10 FFCDRN Cc1nc(-c2ccc(S(=O)(=O)NCc3ccc(O)cc3O)cc2)co1 ZINC001561670908 1076404911 /nfs/dbraw/zinc/40/49/11/1076404911.db2.gz VXPXJNHTXGIDHA-UHFFFAOYSA-N 0 0 360.391 2.540 20 10 FFCDRN O=[N+]([O-])c1ccccc1CCS(=O)(=O)NCc1cc(Cl)ccc1O ZINC001561724739 1076413224 /nfs/dbraw/zinc/41/32/24/1076413224.db2.gz AVKNAYVWXDYTLE-UHFFFAOYSA-N 0 0 370.814 2.616 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N(C)[C@@H]2CCCCN(C)C2=O)cc1 ZINC001563693131 1076576252 /nfs/dbraw/zinc/57/62/52/1076576252.db2.gz FQXYRTQZPGOJKB-GOSISDBHSA-N 0 0 360.502 2.685 20 10 FFCDRN C[C@H](NC(=O)NCCCNC(=O)/C=C\c1ccccc1)c1ccccc1O ZINC001564647391 1076651044 /nfs/dbraw/zinc/65/10/44/1076651044.db2.gz ZOLMHTOJCBYDNM-AHKFDXCISA-N 0 0 367.449 2.972 20 10 FFCDRN C[C@H](c1ccccc1F)[C@@H](O)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC001566007937 1076842459 /nfs/dbraw/zinc/84/24/59/1076842459.db2.gz MOEICRMXAHOLNF-BFUOFWGJSA-N 0 0 358.413 2.782 20 10 FFCDRN O=C(c1cc2n(n1)CCC[C@@H]2O)N(Cc1ccco1)Cc1ccccc1O ZINC001566302827 1076943606 /nfs/dbraw/zinc/94/36/06/1076943606.db2.gz MEYJPQAKVVSEMT-IBGZPJMESA-N 0 0 367.405 2.852 20 10 FFCDRN COC(=O)c1ccccc1C(=O)NCc1cccc(Br)c1O ZINC001568610408 1077102718 /nfs/dbraw/zinc/10/27/18/1077102718.db2.gz NYDXXSVHLSPTDZ-UHFFFAOYSA-N 0 0 364.195 2.871 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](C)N(CCO)C[C@@H]2C)c(C)n1-c1ccccc1C ZINC001570455729 1077207203 /nfs/dbraw/zinc/20/72/03/1077207203.db2.gz BLGUOWTXCHJTJI-ROUUACIJSA-N 0 0 369.509 2.930 20 10 FFCDRN COC(=O)c1ccc(/C=C/C(=O)NCc2ccc3cccnc3c2O)o1 ZINC001570533910 1077213858 /nfs/dbraw/zinc/21/38/58/1077213858.db2.gz WNXDGKMGJAKFKY-VQHVLOKHSA-N 0 0 352.346 2.650 20 10 FFCDRN C[C@@H](NC(=O)c1cnn2cc(Br)cnc12)c1ccccc1O ZINC001587447338 1079793820 /nfs/dbraw/zinc/79/38/20/1079793820.db2.gz QCSIXOJPBRSDSR-SECBINFHSA-N 0 0 361.199 2.688 20 10 FFCDRN COC(=O)C[C@@H](NC(=O)c1ccc(N=NC(N)=O)cc1)c1cccs1 ZINC001587934989 1079894421 /nfs/dbraw/zinc/89/44/21/1079894421.db2.gz RMNODDGHQLBPKH-GFCCVEGCSA-N 0 0 360.395 2.945 20 10 FFCDRN 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COc1ccc(C(=O)CCC(=O)NCc2cccc(OC)c2O)cc1F ZINC000267644441 509579937 /nfs/dbraw/zinc/57/99/37/509579937.db2.gz ZLBUHGVYNKHJAX-UHFFFAOYSA-N 0 0 361.369 2.828 20 10 FFCDRN COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000237203747 509591938 /nfs/dbraw/zinc/59/19/38/509591938.db2.gz POBUJODKLSDVDN-SFHVURJKSA-N 0 0 367.449 2.758 20 10 FFCDRN C[C@@H](Nc1ccc(NC(=O)CN2CCOCC2)cc1)c1cc(F)ccc1O ZINC000186403442 509691386 /nfs/dbraw/zinc/69/13/86/509691386.db2.gz VNBHQRSIMRYVER-CQSZACIVSA-N 0 0 373.428 2.975 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1cnn(CCC(F)(F)F)c1 ZINC000186417684 509698886 /nfs/dbraw/zinc/69/88/86/509698886.db2.gz PIHSKHMSYOBRBD-SNVBAGLBSA-N 0 0 357.332 2.608 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)C[C@@H]1CCCO1 ZINC000170657207 509702188 /nfs/dbraw/zinc/70/21/88/509702188.db2.gz GKILJNXJODCENV-SFHVURJKSA-N 0 0 352.500 2.618 20 10 FFCDRN Cc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)n1 ZINC000193002086 509732646 /nfs/dbraw/zinc/73/26/46/509732646.db2.gz 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509915636 /nfs/dbraw/zinc/91/56/36/509915636.db2.gz PHOWRBSGFZLOFI-UHFFFAOYSA-N 0 0 362.451 2.797 20 10 FFCDRN CCCCN(Cc1cc(F)cc(C(C)=O)c1O)[C@H]1CCS(=O)(=O)C1 ZINC000177279352 509976239 /nfs/dbraw/zinc/97/62/39/509976239.db2.gz FKNRCOBTZCOKAH-HNNXBMFYSA-N 0 0 357.447 2.523 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)C(C)C)CC2)c1O ZINC000177285472 509979542 /nfs/dbraw/zinc/97/95/42/509979542.db2.gz FNIMSUPDOSMWFH-UHFFFAOYSA-N 0 0 352.862 2.939 20 10 FFCDRN COc1cc(Br)cc(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1O ZINC000180560357 509983569 /nfs/dbraw/zinc/98/35/69/509983569.db2.gz DGUSYHMOSKYJFK-ZFWWWQNUSA-N 0 0 372.259 2.543 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1cccc(N2CCCNC2=O)c1 ZINC000174178936 509986370 /nfs/dbraw/zinc/98/63/70/509986370.db2.gz VYWGGFNKWHLEIK-UHFFFAOYSA-N 0 0 354.410 2.976 20 10 FFCDRN CC(=O)N1CCCc2cc(NC(=O)NCCc3ccc(O)c(O)c3)ccc21 ZINC000268571151 510015359 /nfs/dbraw/zinc/01/53/59/510015359.db2.gz LSFSNCSTCJTNNZ-UHFFFAOYSA-N 0 0 369.421 2.761 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@]23CCOC3=O)cc1F ZINC000187061743 510033612 /nfs/dbraw/zinc/03/36/12/510033612.db2.gz RBYYECXKWXHPRK-IBGZPJMESA-N 0 0 363.433 2.663 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)Nc2ccc(COC(C)C)cc2)c1O ZINC000265510293 510092585 /nfs/dbraw/zinc/09/25/85/510092585.db2.gz DPGWRDGFJGLCTP-UHFFFAOYSA-N 0 0 372.421 2.581 20 10 FFCDRN COc1ccc(N(C)Cc2c(C)nn(C)c2N2CCOCC2)cc1Cl ZINC000180771231 510100077 /nfs/dbraw/zinc/10/00/77/510100077.db2.gz XFBROTAMDVNOEE-UHFFFAOYSA-N 0 0 364.877 2.864 20 10 FFCDRN COc1cccc(N2CCC[C@H](NC(=O)/C=C/c3ccc(O)c(O)c3)C2)c1 ZINC000180791316 510111330 /nfs/dbraw/zinc/11/13/30/510111330.db2.gz FRLGLAZZRVERSY-DZZUKKPASA-N 0 0 368.433 2.905 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)COc3ccc(C=O)cc3)CC2)cc1 ZINC000171389261 510126030 /nfs/dbraw/zinc/12/60/30/510126030.db2.gz GXDRRZMFZHXJNF-UHFFFAOYSA-N 0 0 368.433 2.625 20 10 FFCDRN CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000269057916 510213978 /nfs/dbraw/zinc/21/39/78/510213978.db2.gz AJYXCVNEWSQFBY-ZDUSSCGKSA-N 0 0 350.415 2.504 20 10 FFCDRN C[C@H](CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1)c1nccs1 ZINC000184294969 510246111 /nfs/dbraw/zinc/24/61/11/510246111.db2.gz KNKCWKRWVJVRAR-NFBGWVBBSA-N 0 0 357.479 2.913 20 10 FFCDRN O=C(NCc1ccccc1)NC1(C(=O)NCc2ccccc2O)CCCC1 ZINC000269154473 510260939 /nfs/dbraw/zinc/26/09/39/510260939.db2.gz RFHDRSMOVNVOIP-UHFFFAOYSA-N 0 0 367.449 2.821 20 10 FFCDRN O=C(Nc1nc2ccccn2n1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000184345487 510274740 /nfs/dbraw/zinc/27/47/40/510274740.db2.gz QPWQTFYVVRSHGE-OAHLLOKOSA-N 0 0 367.409 2.648 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)N1CCN(Cc2ccco2)CC1 ZINC000265942185 510314323 /nfs/dbraw/zinc/31/43/23/510314323.db2.gz RGSHUBNJWOTOHG-UHFFFAOYSA-N 0 0 366.465 2.683 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CCC(O)CC1 ZINC000194360689 510327961 /nfs/dbraw/zinc/32/79/61/510327961.db2.gz YYBQYDCMKVQYGQ-NPCAHTBFSA-N 0 0 368.424 2.924 20 10 FFCDRN CN(Cc1nnnn1CC(F)(F)F)Cc1ccc(N2CCCCC2)cc1 ZINC000190800119 510350295 /nfs/dbraw/zinc/35/02/95/510350295.db2.gz YIBGNAWJALTANL-UHFFFAOYSA-N 0 0 368.407 2.858 20 10 FFCDRN CNC(=O)c1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)c1 ZINC000266031871 510370637 /nfs/dbraw/zinc/37/06/37/510370637.db2.gz UVQJWJQZDJMXIK-UHFFFAOYSA-N 0 0 351.450 2.917 20 10 FFCDRN C[C@H](CS(C)(=O)=O)NC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000174901944 510375505 /nfs/dbraw/zinc/37/55/05/510375505.db2.gz QNAAHDBUHNIPPU-CQSZACIVSA-N 0 0 368.499 2.670 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N[C@H]2CCOC3(CCSCC3)C2)cc1 ZINC000269403303 510386892 /nfs/dbraw/zinc/38/68/92/510386892.db2.gz ZOJFDIADSJJNFA-INIZCTEOSA-N 0 0 363.527 2.997 20 10 FFCDRN CCN(CCS(=O)(=O)C(C)C)Cc1cc(Br)ccc1O ZINC000178235469 510503524 /nfs/dbraw/zinc/50/35/24/510503524.db2.gz LLODGISMIUPPJE-UHFFFAOYSA-N 0 0 364.305 2.800 20 10 FFCDRN NC(=O)Nc1cccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000269779163 510543487 /nfs/dbraw/zinc/54/34/87/510543487.db2.gz FQHWCBPEBUXGBC-QGZVFWFLSA-N 0 0 369.421 2.704 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NCC[C@H]3CCCCO3)CC2)cc1 ZINC000181802445 510601988 /nfs/dbraw/zinc/60/19/88/510601988.db2.gz NSYOZZUILDIIJY-LJQANCHMSA-N 0 0 361.486 2.876 20 10 FFCDRN CCc1cnc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000266494432 510622590 /nfs/dbraw/zinc/62/25/90/510622590.db2.gz FUSCDTPIKGRXIW-UHFFFAOYSA-N 0 0 360.483 2.542 20 10 FFCDRN COc1cccc(CNC(=O)N[C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000270086848 510669785 /nfs/dbraw/zinc/66/97/85/510669785.db2.gz ALPJQOJNLFYKDJ-XELLLNAOSA-N 0 0 362.451 2.699 20 10 FFCDRN CCS(=O)(=O)C1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000195164104 510696532 /nfs/dbraw/zinc/69/65/32/510696532.db2.gz GZRLSOJZKFXVQE-UHFFFAOYSA-N 0 0 362.289 2.554 20 10 FFCDRN CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2[O-])cc1 ZINC000185122865 510697363 /nfs/dbraw/zinc/69/73/63/510697363.db2.gz DGZMBAOYTIMNBM-VXGBXAGGSA-N 0 0 352.431 2.851 20 10 FFCDRN CC(C)CO[C@H](C)c1noc(CN(C)Cc2cc3c(cc2O)OCO3)n1 ZINC000266631466 510698923 /nfs/dbraw/zinc/69/89/23/510698923.db2.gz PPMJWEGLXBFZPQ-GFCCVEGCSA-N 0 0 363.414 2.870 20 10 FFCDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000175725764 510755884 /nfs/dbraw/zinc/75/58/84/510755884.db2.gz COCODELYLMKILB-UHFFFAOYSA-N 0 0 365.437 2.914 20 10 FFCDRN O=C(CCCNC(=O)c1cccnc1)NCc1ccc(N2CCCC2)cc1 ZINC000178820930 510789016 /nfs/dbraw/zinc/78/90/16/510789016.db2.gz JMPCMXPJAJQRGT-UHFFFAOYSA-N 0 0 366.465 2.508 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)NCc1ccc(F)cc1F ZINC000263727911 510813058 /nfs/dbraw/zinc/81/30/58/510813058.db2.gz MROBYXBUOCPWJP-UHFFFAOYSA-N 0 0 361.392 2.801 20 10 FFCDRN O=C(N[C@H]1CCCOC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000247047092 510816064 /nfs/dbraw/zinc/81/60/64/510816064.db2.gz VVUXNVPFEPTJTJ-KBPBESRZSA-N 0 0 369.412 2.735 20 10 FFCDRN CN(CC(C)(C)C)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000263820948 510849344 /nfs/dbraw/zinc/84/93/44/510849344.db2.gz ZYYOOIXXCLUSHX-UHFFFAOYSA-N 0 0 351.466 2.974 20 10 FFCDRN CN(C)c1ccc(CN(C)c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)cc1 ZINC000276014088 510923939 /nfs/dbraw/zinc/92/39/39/510923939.db2.gz AALYUDMCKSEFTH-UHFFFAOYSA-N 0 0 363.439 2.701 20 10 FFCDRN COCCOc1cccc(/C=C/C(=O)NCc2cccc(OC)c2O)c1 ZINC000276117494 510927782 /nfs/dbraw/zinc/92/77/82/510927782.db2.gz AYTUJBLVVCPJMO-MDZDMXLPSA-N 0 0 357.406 2.756 20 10 FFCDRN CN(Cc1ccccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cn1 ZINC000276154857 510929374 /nfs/dbraw/zinc/92/93/74/510929374.db2.gz FGLMTEFRFYGUOS-UHFFFAOYSA-N 0 0 361.467 2.598 20 10 FFCDRN Cc1nnccc1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000360776192 510948073 /nfs/dbraw/zinc/94/80/73/510948073.db2.gz PSVLBWSGRREFQZ-ZDUSSCGKSA-N 0 0 362.380 2.785 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CCOCC(F)F)cc2F)C[C@@H](C)O1 ZINC000276922247 510950112 /nfs/dbraw/zinc/95/01/12/510950112.db2.gz QEMYVWVDDKHAPS-CHWSQXEVSA-N 0 0 374.403 2.727 20 10 FFCDRN COc1cc([N+](=O)[O-])c(N2CCC[C@@H]([C@H](O)C(F)(F)F)C2)cc1OC ZINC000277294051 510960742 /nfs/dbraw/zinc/96/07/42/510960742.db2.gz BBNWRIFPDRGJPG-OTYXRUKQSA-N 0 0 364.320 2.752 20 10 FFCDRN COCCC(C)(C)CN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277313375 510961067 /nfs/dbraw/zinc/96/10/67/510961067.db2.gz SYOQIZAEVWWOMC-UHFFFAOYSA-N 0 0 354.834 2.873 20 10 FFCDRN Cc1noc(C)c1CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000277991064 510977433 /nfs/dbraw/zinc/97/74/33/510977433.db2.gz SYJRZGKIJDJDJB-UHFFFAOYSA-N 0 0 363.801 2.657 20 10 FFCDRN COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])c(OC)c3O)CCO2)c1 ZINC000278138225 510983282 /nfs/dbraw/zinc/98/32/82/510983282.db2.gz AMDWXLQHNJXTDV-KRWDZBQOSA-N 0 0 374.393 2.891 20 10 FFCDRN COc1cc2c(cc1NCc1ccc([N+](=O)[O-])c(OC)c1O)NC(=O)CC2 ZINC000278487351 510994419 /nfs/dbraw/zinc/99/44/19/510994419.db2.gz KRFXEVNFBLLKEG-UHFFFAOYSA-N 0 0 373.365 2.814 20 10 FFCDRN C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)c1ccc(F)cc1O ZINC000278506288 510995365 /nfs/dbraw/zinc/99/53/65/510995365.db2.gz RANIANCRJNZCKK-LBPRGKRZSA-N 0 0 356.405 2.877 20 10 FFCDRN CCC[C@H](C)C(=O)NCCNC(=O)c1cc(C)n(-c2ccccn2)c1C ZINC000294229613 510998700 /nfs/dbraw/zinc/99/87/00/510998700.db2.gz YYRRVQMHLXFRHF-AWEZNQCLSA-N 0 0 356.470 2.771 20 10 FFCDRN C[C@H]([NH2+]CCCN1CCC[C@@H]1C(N)=O)c1cc(Cl)c(Cl)cc1[O-] ZINC000278733145 511004844 /nfs/dbraw/zinc/00/48/44/511004844.db2.gz MXEIRZNMTTYGMR-IINYFYTJSA-N 0 0 360.285 2.689 20 10 FFCDRN COc1c([O-])c(C[NH2+][C@H](Cc2ccccc2)CN(C)C)ccc1[N+](=O)[O-] ZINC000278902479 511013100 /nfs/dbraw/zinc/01/31/00/511013100.db2.gz RIJHGAKTXMLWCL-MRXNPFEDSA-N 0 0 359.426 2.572 20 10 FFCDRN Cc1cc(C(=O)N(C)Cc2ncnn2CC(F)F)c(C)n1-c1ccccn1 ZINC000278937579 511014188 /nfs/dbraw/zinc/01/41/88/511014188.db2.gz LUULPRYUQWRTFZ-UHFFFAOYSA-N 0 0 374.395 2.618 20 10 FFCDRN COc1c([O-])c(C[NH2+]CCn2c(C)nc3ccccc32)ccc1[N+](=O)[O-] ZINC000278950302 511014565 /nfs/dbraw/zinc/01/45/65/511014565.db2.gz ZJJAQLYKIODYOB-UHFFFAOYSA-N 0 0 356.382 2.757 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000286340068 511023239 /nfs/dbraw/zinc/02/32/39/511023239.db2.gz QTGAMTRWOYQXBX-QGZVFWFLSA-N 0 0 368.433 2.640 20 10 FFCDRN C[C@H](C1CCCCC1)N(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000282565674 511028711 /nfs/dbraw/zinc/02/87/11/511028711.db2.gz UQTLDONEXTVOEO-GFCCVEGCSA-N 0 0 354.472 2.805 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)c1ccnn1CC(F)(F)F ZINC000294380572 511046394 /nfs/dbraw/zinc/04/63/94/511046394.db2.gz HIZZKZVVUDJGPX-UHFFFAOYSA-N 0 0 352.360 2.976 20 10 FFCDRN CC[C@@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)c1ccc(F)cc1[O-] ZINC000287502770 511051516 /nfs/dbraw/zinc/05/15/16/511051516.db2.gz NTUZCZLRPIMDBT-SPYBWZPUSA-N 0 0 360.433 2.668 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@](F)(CO)C2)cc1F ZINC000287770728 511057041 /nfs/dbraw/zinc/05/70/41/511057041.db2.gz QHXQVODSIDDERP-GOSISDBHSA-N 0 0 355.429 2.678 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CCC[C@@](F)(CO)C2)cc1F ZINC000287770729 511057100 /nfs/dbraw/zinc/05/71/00/511057100.db2.gz QHXQVODSIDDERP-SFHVURJKSA-N 0 0 355.429 2.678 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1cncc(-n2ccnn2)c1 ZINC000282647426 511059023 /nfs/dbraw/zinc/05/90/23/511059023.db2.gz LZEKEEXFBAUNMX-UHFFFAOYSA-N 0 0 364.453 2.779 20 10 FFCDRN CN1CCCc2cc(CNC(=O)[C@H]3CCN(CC(F)(F)F)C3)ccc21 ZINC000279373519 511060475 /nfs/dbraw/zinc/06/04/75/511060475.db2.gz SCKBBGNMYRIBFV-HNNXBMFYSA-N 0 0 355.404 2.569 20 10 FFCDRN CCn1c(C)nc([N+](=O)[O-])c1N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000288067118 511063422 /nfs/dbraw/zinc/06/34/22/511063422.db2.gz GLBUASIJFUYNAZ-UHFFFAOYSA-N 0 0 359.430 2.593 20 10 FFCDRN CN(Cc1ccco1)C(=O)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000297774089 511064654 /nfs/dbraw/zinc/06/46/54/511064654.db2.gz IJDZRFXATWTQJZ-UHFFFAOYSA-N 0 0 369.465 2.887 20 10 FFCDRN COCCCn1c(SCC(=O)C(C)=O)nnc1-c1ccccc1Cl ZINC000288821856 511087258 /nfs/dbraw/zinc/08/72/58/511087258.db2.gz IETUXMVPEVLEEK-UHFFFAOYSA-N 0 0 367.858 2.885 20 10 FFCDRN COc1ccc(N2CCN(Cc3cnc([C@H](C)O)s3)CC2)cc1F ZINC000289231311 511095722 /nfs/dbraw/zinc/09/57/22/511095722.db2.gz KEIZHYPBFUHVNV-LBPRGKRZSA-N 0 0 351.447 2.666 20 10 FFCDRN CO[C@@H]1COCC[C@@H]1CC(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000294542900 511098636 /nfs/dbraw/zinc/09/86/36/511098636.db2.gz ICMFBNYZHCUKRX-UYAOXDASSA-N 0 0 360.498 2.981 20 10 FFCDRN COC[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])OCCc2ccccc21 ZINC000289817391 511115834 /nfs/dbraw/zinc/11/58/34/511115834.db2.gz LYGAFRAHWGBXMZ-IBGZPJMESA-N 0 0 358.394 2.505 20 10 FFCDRN CC[C@@H]1CN(Cc2cc(Br)ccc2O)C[C@@H](C)S1(=O)=O ZINC000289875082 511119227 /nfs/dbraw/zinc/11/92/27/511119227.db2.gz ROUZNPSUCMEFNK-ZWNOBZJWSA-N 0 0 362.289 2.552 20 10 FFCDRN COc1ccc(N2CCN(c3nccc4c3C(=O)OC4(C)C)CC2)cc1F ZINC000364870304 511126309 /nfs/dbraw/zinc/12/63/09/511126309.db2.gz AYZFQVVNHDQNQC-UHFFFAOYSA-N 0 0 371.412 2.961 20 10 FFCDRN CCOc1ccc(O)c(CN2CCS(=O)(=O)C3(CCCCC3)C2)c1 ZINC000271272154 511144676 /nfs/dbraw/zinc/14/46/76/511144676.db2.gz NMQUSCNINCFVRS-UHFFFAOYSA-N 0 0 353.484 2.724 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000332940174 511155410 /nfs/dbraw/zinc/15/54/10/511155410.db2.gz HTHPUWCJFKVJDY-JLTOFOAXSA-N 0 0 357.454 2.576 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CC2(CCC2)[C@H]1C1CC1 ZINC000291321761 511165494 /nfs/dbraw/zinc/16/54/94/511165494.db2.gz QMYZTQUUZPLOSZ-LJQANCHMSA-N 0 0 355.482 2.997 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)c1[O-] ZINC000282927359 511165469 /nfs/dbraw/zinc/16/54/69/511165469.db2.gz WGVIQHLYZZZRLP-BZNIZROVSA-N 0 0 370.833 2.611 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)[C@H](O)c1ccc(Cl)cc1 ZINC000291391009 511178986 /nfs/dbraw/zinc/17/89/86/511178986.db2.gz CNYWJIDGMWCGKM-LJQANCHMSA-N 0 0 374.868 2.869 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C(N)=O)c(Cl)n1 ZINC000283031168 511207436 /nfs/dbraw/zinc/20/74/36/511207436.db2.gz MSSWGYQNEQDZHZ-UHFFFAOYSA-N 0 0 360.845 2.562 20 10 FFCDRN COC(=O)c1cnc(S[C@H](C)C(=O)N2CCc3ccccc3C2)s1 ZINC000294911445 511218337 /nfs/dbraw/zinc/21/83/37/511218337.db2.gz BMWMGPSORZXYKK-LLVKDONJSA-N 0 0 362.476 2.995 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2ccoc2CC(=O)OC)cc1F ZINC000283067860 511221631 /nfs/dbraw/zinc/22/16/31/511221631.db2.gz NCAYAONJLLYJJE-UHFFFAOYSA-N 0 0 362.401 2.910 20 10 FFCDRN Cc1cncc(CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)c1 ZINC000295006526 511250511 /nfs/dbraw/zinc/25/05/11/511250511.db2.gz MKYKVXKHQMGFKI-UHFFFAOYSA-N 0 0 367.493 2.848 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2cc(C)nc(N3CCCC3)c2)ccc1[N+](=O)[O-] ZINC000291588809 511257464 /nfs/dbraw/zinc/25/74/64/511257464.db2.gz PPLYBVAYQQJICL-UHFFFAOYSA-N 0 0 372.425 2.902 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccc(F)cc1 ZINC000283207176 511277357 /nfs/dbraw/zinc/27/73/57/511277357.db2.gz FUPWNUTYNOCFNV-UHFFFAOYSA-N 0 0 358.413 2.629 20 10 FFCDRN CC[C@H](C)CONC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000291671264 511290860 /nfs/dbraw/zinc/29/08/60/511290860.db2.gz QDBBZKHZPPHDFH-ZDUSSCGKSA-N 0 0 353.438 2.564 20 10 FFCDRN COc1c(O)c(CNc2cnn(C3CCOCC3)c2C)ccc1[N+](=O)[O-] ZINC000295194782 511316915 /nfs/dbraw/zinc/31/69/15/511316915.db2.gz XTJYOEQUNVRWIJ-UHFFFAOYSA-N 0 0 362.386 2.778 20 10 FFCDRN COc1ccc([C@@H](C)N(C)C(=O)C(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000283457829 511373592 /nfs/dbraw/zinc/37/35/92/511373592.db2.gz KVUDMGRQMLLUPA-OAHLLOKOSA-N 0 0 369.465 2.597 20 10 FFCDRN CC(C)N1CC(=O)N([C@@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O ZINC000365357331 511401818 /nfs/dbraw/zinc/40/18/18/511401818.db2.gz MZYZZUCGSCNJCS-CQSZACIVSA-N 0 0 367.396 2.929 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)cc1 ZINC000280283476 511405751 /nfs/dbraw/zinc/40/57/51/511405751.db2.gz OHAUSPKFSUFTGN-OXJNMPFZSA-N 0 0 361.486 2.622 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N(C)C)cc1)[C@@H](C)c1ccccc1 ZINC000283576950 511421912 /nfs/dbraw/zinc/42/19/12/511421912.db2.gz SGDQBMKSSRFFLK-CVEARBPZSA-N 0 0 353.466 2.677 20 10 FFCDRN CN1CCc2ccc(NC(=O)NCc3ccc(N4CCOCC4)cc3)cc21 ZINC000272102734 511433004 /nfs/dbraw/zinc/43/30/04/511433004.db2.gz OUJISKRQSUCISB-UHFFFAOYSA-N 0 0 366.465 2.837 20 10 FFCDRN O=C(C[C@H]1CCOC1)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000363272018 511455230 /nfs/dbraw/zinc/45/52/30/511455230.db2.gz XOTJBSPATSZVLO-KGLIPLIRSA-N 0 0 354.397 2.800 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)/C=C/c3cnccn3)cc2F)C[C@@H](C)O1 ZINC000298934131 511457107 /nfs/dbraw/zinc/45/71/07/511457107.db2.gz BYKOGPRUQDGLCL-WYVSAIIBSA-N 0 0 370.428 2.559 20 10 FFCDRN CC[C@H](NC(=O)C(=O)NCc1ccc(N(CC)CC)cc1)c1ccncc1 ZINC000283730489 511478116 /nfs/dbraw/zinc/47/81/16/511478116.db2.gz CEFKIFFZPMPSIL-IBGZPJMESA-N 0 0 368.481 2.812 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@H](CCC(=O)NCc2ccc(O)c(O)c2)C1 ZINC000272321658 511490732 /nfs/dbraw/zinc/49/07/32/511490732.db2.gz KNJHCHXUKHNIFH-ZDUSSCGKSA-N 0 0 364.442 2.751 20 10 FFCDRN CCN(Cc1ccccc1)C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000283765836 511492549 /nfs/dbraw/zinc/49/25/49/511492549.db2.gz SHHRSCXUHINNMF-UHFFFAOYSA-N 0 0 363.461 2.728 20 10 FFCDRN COc1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2)cc1O ZINC000272582344 511499790 /nfs/dbraw/zinc/49/97/90/511499790.db2.gz GFXHFSWVIBXXEE-WEVVVXLNSA-N 0 0 368.433 2.567 20 10 FFCDRN Cc1cc(C(=O)NC[C@H](CO)[C@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000280562750 511512203 /nfs/dbraw/zinc/51/22/03/511512203.db2.gz VKJKWRLNUZRFJB-ZWKOTPCHSA-N 0 0 356.466 2.777 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 ZINC000273187444 511518927 /nfs/dbraw/zinc/51/89/27/511518927.db2.gz PEPIADYSZBOTGL-WQVCFCJDSA-N 0 0 369.417 2.720 20 10 FFCDRN C[C@@H]1C[C@H](CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CCO1 ZINC000273148363 511519559 /nfs/dbraw/zinc/51/95/59/511519559.db2.gz LLLNFIMXBFNDMS-IAGOWNOFSA-N 0 0 361.486 2.528 20 10 FFCDRN CC(C)OCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000273284904 511521412 /nfs/dbraw/zinc/52/14/12/511521412.db2.gz JOXUBRXJAHNIPG-HUUCEWRRSA-N 0 0 367.465 2.664 20 10 FFCDRN CCNC(=O)c1ccc(C[NH2+][C@H](C)c2cc(C(=O)OC)ccc2[O-])cc1 ZINC000273386023 511524305 /nfs/dbraw/zinc/52/43/05/511524305.db2.gz JMVUEMCWUKDSLY-CYBMUJFWSA-N 0 0 356.422 2.779 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000273415728 511524741 /nfs/dbraw/zinc/52/47/41/511524741.db2.gz QTJGPYOPJLKUDR-HNNXBMFYSA-N 0 0 369.465 2.889 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(CS(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273464214 511527660 /nfs/dbraw/zinc/52/76/60/511527660.db2.gz DHXBOKXDYFITHT-LBPRGKRZSA-N 0 0 364.423 2.696 20 10 FFCDRN CCc1nnc(C)cc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000273562659 511533846 /nfs/dbraw/zinc/53/38/46/511533846.db2.gz CFXHYVHTTKTWOZ-INIZCTEOSA-N 0 0 355.438 2.874 20 10 FFCDRN C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)N(C)C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273570668 511537655 /nfs/dbraw/zinc/53/76/55/511537655.db2.gz KQJSBWCDWBCGAU-DYVFJYSZSA-N 0 0 357.410 2.651 20 10 FFCDRN C[C@H]([NH2+]CCc1cccc(C(=O)N(C)C)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273590191 511543855 /nfs/dbraw/zinc/54/38/55/511543855.db2.gz OWPAXJFOZANGTR-ZDUSSCGKSA-N 0 0 357.410 2.896 20 10 FFCDRN COc1cc(OC)cc([C@@H](O)C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273592894 511545096 /nfs/dbraw/zinc/54/50/96/511545096.db2.gz PSEPNMYDGTVNQS-ZMZPIMSZSA-N 0 0 362.382 2.702 20 10 FFCDRN C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1ccc(Cl)c(Cl)c1[O-] ZINC000273612649 511552124 /nfs/dbraw/zinc/55/21/24/511552124.db2.gz WQSPKFZQTFDBLY-NSHDSACASA-N 0 0 374.312 2.902 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)N3CC(CO)C3)cc2Cl)C1 ZINC000284010695 511574257 /nfs/dbraw/zinc/57/42/57/511574257.db2.gz ZKOANEDMCJAEHB-ZDUSSCGKSA-N 0 0 351.878 2.710 20 10 FFCDRN COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)c1 ZINC000296008135 511587539 /nfs/dbraw/zinc/58/75/39/511587539.db2.gz QYIFUPFWLJPFHK-DZGCQCFKSA-N 0 0 366.458 2.687 20 10 FFCDRN COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000299319016 511590488 /nfs/dbraw/zinc/59/04/88/511590488.db2.gz HUPNUURSXJFKIN-UHFFFAOYSA-N 0 0 358.413 2.962 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)NC[C@@H](C)c2nccs2)cc1 ZINC000284070359 511594754 /nfs/dbraw/zinc/59/47/54/511594754.db2.gz NBWGKPVVPAXVKP-CQSZACIVSA-N 0 0 374.510 2.525 20 10 FFCDRN CCN(CC)c1ccc(CNc2ccc(C(=O)NCCC(N)=O)cc2)cc1 ZINC000292545651 511636819 /nfs/dbraw/zinc/63/68/19/511636819.db2.gz WWKKUDPKUXKENG-UHFFFAOYSA-N 0 0 368.481 2.750 20 10 FFCDRN Cc1nc2ncnn2c(NCc2ccc(N3CCC(CO)CC3)cc2)c1C ZINC000301287702 511693399 /nfs/dbraw/zinc/69/33/99/511693399.db2.gz NJKYERDNFZSYCJ-UHFFFAOYSA-N 0 0 366.469 2.562 20 10 FFCDRN Oc1ccc(CCNc2ccc3nnc(-c4ccsc4)n3n2)cc1O ZINC000302271201 511708523 /nfs/dbraw/zinc/70/85/23/511708523.db2.gz GZZRPNMKEWWXIP-UHFFFAOYSA-N 0 0 353.407 2.919 20 10 FFCDRN O=C1COc2cc([N+](=O)[O-])c(N3CC[C@]4(C3)OCc3ccccc34)cc2N1 ZINC000302233767 511708539 /nfs/dbraw/zinc/70/85/39/511708539.db2.gz DELDUNHNRPMOTM-LJQANCHMSA-N 0 0 367.361 2.562 20 10 FFCDRN COC(=O)c1cnc(NCc2ccc3c(c2)CCCN3C)c([N+](=O)[O-])c1 ZINC000302758320 511714316 /nfs/dbraw/zinc/71/43/16/511714316.db2.gz JGYKIBVKBOSZBO-UHFFFAOYSA-N 0 0 356.382 2.771 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cc2c(cc1F)NC(=O)CC2 ZINC000281100064 511718680 /nfs/dbraw/zinc/71/86/80/511718680.db2.gz SHUHLJHOVVXBDS-JTQLQIEISA-N 0 0 373.384 2.874 20 10 FFCDRN COCC1(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CCC1 ZINC000296387835 511723300 /nfs/dbraw/zinc/72/33/00/511723300.db2.gz PTAIPXUTNRBVOM-UHFFFAOYSA-N 0 0 361.486 2.529 20 10 FFCDRN COc1ccccc1[C@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284501769 511748633 /nfs/dbraw/zinc/74/86/33/511748633.db2.gz SFNHJWKOCSJZDG-HNNXBMFYSA-N 0 0 369.465 2.597 20 10 FFCDRN COC1CCN(c2ccc(CN3CCN(CC(F)(F)F)CC3)cc2)CC1 ZINC000296561664 511797625 /nfs/dbraw/zinc/79/76/25/511797625.db2.gz PQOIRSLOMBAUBR-UHFFFAOYSA-N 0 0 371.447 2.982 20 10 FFCDRN C[C@H]1CC(CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)C[C@H](C)O1 ZINC000281323753 511804561 /nfs/dbraw/zinc/80/45/61/511804561.db2.gz QBAFPBIYNUIORM-DIYXLRBJSA-N 0 0 358.482 2.856 20 10 FFCDRN COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2)c(O)c1 ZINC000366178836 511883918 /nfs/dbraw/zinc/88/39/18/511883918.db2.gz OGASZWGLEZWIAR-KRWDZBQOSA-N 0 0 369.421 2.714 20 10 FFCDRN Cc1cc2c(NCc3ccc(N4CCC(CO)CC4)cc3)nccn2n1 ZINC000274633880 511895452 /nfs/dbraw/zinc/89/54/52/511895452.db2.gz CRBCSQQXHHOXCS-UHFFFAOYSA-N 0 0 351.454 2.859 20 10 FFCDRN Cc1nnc([C@@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)cc3)C2)[nH]1 ZINC000274871348 511972248 /nfs/dbraw/zinc/97/22/48/511972248.db2.gz STVOIVFRNNWIAO-QGZVFWFLSA-N 0 0 368.485 2.803 20 10 FFCDRN C[C@H](NC(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@H](O)c1ccccc1 ZINC000293490369 511984319 /nfs/dbraw/zinc/98/43/19/511984319.db2.gz RTSYJJZQDSAAQW-OTZOFJHSSA-N 0 0 366.461 2.775 20 10 FFCDRN O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cccc(F)c2[O-])cc1F ZINC000274929429 511990648 /nfs/dbraw/zinc/99/06/48/511990648.db2.gz NWLRFTILTJTGRK-UHFFFAOYSA-N 0 0 368.405 2.500 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCc1nnc(-c2ccccc2)o1 ZINC000274996277 512011101 /nfs/dbraw/zinc/01/11/01/512011101.db2.gz ZOMMXUSMBJQIBR-CYBMUJFWSA-N 0 0 367.405 2.828 20 10 FFCDRN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1C(=O)NCc1ccc(O)c(O)c1 ZINC000293614233 512027275 /nfs/dbraw/zinc/02/72/75/512027275.db2.gz FOSFFOGDUPUCAT-ZIAGYGMSSA-N 0 0 364.442 2.655 20 10 FFCDRN CN(C(=O)/C=C/c1ccc(N2CCOCC2)cc1)[C@H](CO)c1ccccc1 ZINC000297148729 512038471 /nfs/dbraw/zinc/03/84/71/512038471.db2.gz IWEPHTIXMNJVNA-VZOQVYJPSA-N 0 0 366.461 2.728 20 10 FFCDRN CCOC(=O)[C@H](NCc1cccc(OC)c1O)c1ccc(OC)c(F)c1 ZINC000275122307 512047731 /nfs/dbraw/zinc/04/77/31/512047731.db2.gz JJEKGJBKZKDMJM-QGZVFWFLSA-N 0 0 363.385 2.943 20 10 FFCDRN COc1ccc(N(Cc2nnc(S(C)(=O)=O)s2)C(C)C)cc1F ZINC000285234152 512048397 /nfs/dbraw/zinc/04/83/97/512048397.db2.gz YFVYDHLOUDZAQD-UHFFFAOYSA-N 0 0 359.448 2.504 20 10 FFCDRN C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)NCc1ccccc1O ZINC000297200305 512059084 /nfs/dbraw/zinc/05/90/84/512059084.db2.gz OAUUUAKKLVHSSB-ZDUSSCGKSA-N 0 0 351.447 2.885 20 10 FFCDRN C[C@H](CO)N(CC1CCC1)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000275208757 512074772 /nfs/dbraw/zinc/07/47/72/512074772.db2.gz IUGIDDQUMQHHDZ-PYUISTEWSA-N 0 0 358.482 2.546 20 10 FFCDRN C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000293756336 512074932 /nfs/dbraw/zinc/07/49/32/512074932.db2.gz RHCLFMZBZWHGJU-ZDUSSCGKSA-N 0 0 351.406 2.579 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@@H](c3ccnn3C)C2)c([N+](=O)[O-])c1 ZINC000375769065 512497531 /nfs/dbraw/zinc/49/75/31/512497531.db2.gz BZNHEBDJOPBACW-PMGBHYCQSA-N 0 0 370.409 2.899 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCO[C@]3(CCOC3)C2)cc1 ZINC000369737196 512581637 /nfs/dbraw/zinc/58/16/37/512581637.db2.gz GGQUARBCODRORA-FXAWDEMLSA-N 0 0 361.486 2.670 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)N2CCOC[C@H]2c2ncon2)cc1 ZINC000374292351 512749787 /nfs/dbraw/zinc/74/97/87/512749787.db2.gz CRXYJTCFZLEGRQ-KRWDZBQOSA-N 0 0 352.394 2.691 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)N1CCCC[C@H]1c1cc[nH]n1 ZINC000376698746 512946352 /nfs/dbraw/zinc/94/63/52/512946352.db2.gz FKHGWRLMHJXITE-IBGZPJMESA-N 0 0 369.469 2.683 20 10 FFCDRN COc1ccc2c(c1)C=C(C(=O)N1CCOc3cc(N(C)C)ccc31)CO2 ZINC000446029097 513167656 /nfs/dbraw/zinc/16/76/56/513167656.db2.gz OADQGIWSIPABKM-UHFFFAOYSA-N 0 0 366.417 2.963 20 10 FFCDRN Cc1cc(-c2nc(-c3cncn3C)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000445564235 514492990 /nfs/dbraw/zinc/49/29/90/514492990.db2.gz FNSUUWKREOINCH-UHFFFAOYSA-N 0 0 365.418 2.662 20 10 FFCDRN CCO[C@@H]1C[C@](CO)(NC(=O)NCc2c(C)c3ccccc3n2C)C1(C)C ZINC000472218455 515174034 /nfs/dbraw/zinc/17/40/34/515174034.db2.gz CLWHPILPWTXZRP-WIYYLYMNSA-N 0 0 373.497 2.852 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC[C@@H](O)Cc1ccccc1 ZINC000472222742 515175654 /nfs/dbraw/zinc/17/56/54/515175654.db2.gz NXODVRYKKXHUJK-KRWDZBQOSA-N 0 0 351.450 2.890 20 10 FFCDRN CC(=O)N[C@H](C)C1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472239645 515181544 /nfs/dbraw/zinc/18/15/44/515181544.db2.gz LSZYDDJRMGKLFN-OAHLLOKOSA-N 0 0 370.497 2.933 20 10 FFCDRN COc1cccc(NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)c1 ZINC000472778762 515394364 /nfs/dbraw/zinc/39/43/64/515394364.db2.gz NVTOUKBPZMCDMP-UHFFFAOYSA-N 0 0 351.406 2.750 20 10 FFCDRN COc1cc(F)ccc1NC(=O)C(=O)NCc1c(C)c2ccccc2n1C ZINC000472791695 515399814 /nfs/dbraw/zinc/39/98/14/515399814.db2.gz UEFZYFQPKOESTQ-UHFFFAOYSA-N 0 0 369.396 2.889 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnc2c(c1)NC(=O)CS2 ZINC000473292276 515567093 /nfs/dbraw/zinc/56/70/93/515567093.db2.gz NVSKZCDPOGMMDF-UHFFFAOYSA-N 0 0 366.446 2.856 20 10 FFCDRN O=C(Nc1ccc(-c2nc(Cc3cccnc3)no2)cc1)C1=S=CC=C1 ZINC000551031693 516532092 /nfs/dbraw/zinc/53/20/92/516532092.db2.gz CTNSVGICAUGKKS-UHFFFAOYSA-N 0 0 362.414 2.939 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1ccnc(O[C@@H]2CCOC2)c1 ZINC000547773130 516554867 /nfs/dbraw/zinc/55/48/67/516554867.db2.gz XFDZNJMIZSIUHC-MRXNPFEDSA-N 0 0 365.433 2.979 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)c2cc(C)nn2C2CCOCC2)c1 ZINC000528859042 516755197 /nfs/dbraw/zinc/75/51/97/516755197.db2.gz FXLKGNTZIIEYHR-ZDUSSCGKSA-N 0 0 359.426 2.748 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CN1CCc2ccccc2C1=O ZINC000548428431 516979343 /nfs/dbraw/zinc/97/93/43/516979343.db2.gz WHMTWMYAKGSQDM-UHFFFAOYSA-N 0 0 361.445 2.801 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCO[C@H](COC(C)C)C1 ZINC000526927738 517392957 /nfs/dbraw/zinc/39/29/57/517392957.db2.gz SXUFXCRTYBHNLY-INIZCTEOSA-N 0 0 359.470 2.822 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCN(c2ccccn2)CC1 ZINC000527176800 517545144 /nfs/dbraw/zinc/54/51/44/517545144.db2.gz RRXMIDPHKQTFME-UHFFFAOYSA-N 0 0 363.465 2.914 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNc1nccc(N[C@@H]2CCCOC2)n1 ZINC000530429613 517770507 /nfs/dbraw/zinc/77/05/07/517770507.db2.gz MLWLPKKPNJDWIN-OAHLLOKOSA-N 0 0 351.454 2.902 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)NC1CCN(C(=O)C(C)C)CC1 ZINC000575909138 518339014 /nfs/dbraw/zinc/33/90/14/518339014.db2.gz CVAZEYNNFXDXMZ-UHFFFAOYSA-N 0 0 370.497 2.933 20 10 FFCDRN CC(C)(C)C(=O)/C=c1\[nH]c(=O)/c(=C/c2ccc(N3CCCCC3)cc2)s1 ZINC000105741270 534409434 /nfs/dbraw/zinc/40/94/34/534409434.db2.gz IIGHWTCRFZQPHL-QPOYRMPTSA-N 0 0 370.518 2.651 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N(C)Cc2c[nH]cn2)CCCC1 ZINC000616921263 520237312 /nfs/dbraw/zinc/23/73/12/520237312.db2.gz KXYNWOSHNSBGBW-UHFFFAOYSA-N 0 0 352.438 2.910 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3C[C@@H](C)[C@@](C)(CO)C3)ccc21 ZINC000620453158 522242339 /nfs/dbraw/zinc/24/23/39/522242339.db2.gz RJXJSJOLFSITKC-SPLOXXLWSA-N 0 0 358.482 2.995 20 10 FFCDRN Clc1cc(-c2nn[nH]n2)cnc1NCCCSc1nccs1 ZINC000737558208 598943135 /nfs/dbraw/zinc/94/31/35/598943135.db2.gz LYJNZTNRKVZQNW-UHFFFAOYSA-N 0 0 353.864 2.966 20 10 FFCDRN Fc1cc(F)c(NNC(=S)Nc2ccccc2-c2nn[nH]n2)cc1F ZINC000737644651 598977934 /nfs/dbraw/zinc/97/79/34/598977934.db2.gz JIVYKKVYKJWBGD-UHFFFAOYSA-N 0 0 365.344 2.598 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C=Cc1ccccc1-c1nn[nH]n1 ZINC000737269323 599017690 /nfs/dbraw/zinc/01/76/90/599017690.db2.gz CUNQHZRXGQPUDY-LUAWRHEFSA-N 0 0 362.437 2.571 20 10 FFCDRN Cc1cc(C(=O)Nc2nccs2)c(C)n1-c1ccc(-c2nn[nH]n2)cc1 ZINC000737238629 598611130 /nfs/dbraw/zinc/61/11/30/598611130.db2.gz QNFZGASPXKJLJE-UHFFFAOYSA-N 0 0 365.422 2.983 20 10 FFCDRN CO[C@H](C)c1noc(CN(C)Cc2c(O)c(C(=O)[O-])cc3ccccc32)n1 ZINC000831505200 601401768 /nfs/dbraw/zinc/40/17/68/601401768.db2.gz IUTJPHLDWKRRTL-LLVKDONJSA-N 0 0 371.393 2.966 20 10 FFCDRN O=C([O-])N1CCc2cccc(C[NH2+]Cc3ccc(N4CCOCC4)cc3)c21 ZINC000832086938 603855770 /nfs/dbraw/zinc/85/57/70/603855770.db2.gz KRSMGKCAUMOPLX-UHFFFAOYSA-N 0 0 367.449 2.854 20 10 FFCDRN C[C@H]1CN(c2ccc(C[NH2+]C3CCN(C(=O)[O-])CC3)cc2F)C[C@H](C)O1 ZINC000826082277 604179941 /nfs/dbraw/zinc/17/99/41/604179941.db2.gz LZELFXSNRRJLNW-KBPBESRZSA-N 0 0 365.449 2.671 20 10 FFCDRN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(N2CCOCC2)c(F)c1 ZINC000833193910 604467651 /nfs/dbraw/zinc/46/76/51/604467651.db2.gz PGSYANBUPFJLKS-FQEVSTJZSA-N 0 0 370.424 2.674 20 10 FFCDRN C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1CCC(NC(=O)[O-])CC1 ZINC000833874332 605622351 /nfs/dbraw/zinc/62/23/51/605622351.db2.gz IHJVDPBDVIVOLG-UHFFFAOYSA-N 0 0 365.449 2.673 20 10 FFCDRN O=C([O-])N1CCC[C@@H]1[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000834109763 605987745 /nfs/dbraw/zinc/98/77/45/605987745.db2.gz VOCJRGIKZRPRLI-HSALFYBXSA-N 0 0 373.497 2.924 20 10 FFCDRN COc1cc(O)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCN2C(=O)[O-])cc1OC ZINC000833887382 605989335 /nfs/dbraw/zinc/98/93/35/605989335.db2.gz GHIPYQNTPFXUFA-CABCVRRESA-N 0 0 364.442 2.906 20 10 FFCDRN CCN(C(=O)C=Cc1cnc2ccccc2n1)c1ccc(-c2nn[nH]n2)cc1 ZINC000825367006 607796143 /nfs/dbraw/zinc/79/61/43/607796143.db2.gz HWUYCBFLEOFROU-XFXZXTDPSA-N 0 0 371.404 2.876 20 10 FFCDRN C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000825958243 608524673 /nfs/dbraw/zinc/52/46/73/608524673.db2.gz OSOLUWCCAQOOSD-UHFFFAOYSA-N 0 0 374.788 2.766 20 10 FFCDRN Oc1cccc(Cl)c1CN1CCO[C@@H](c2cccc(-c3nn[nH]n3)c2)C1 ZINC000826511076 608854789 /nfs/dbraw/zinc/85/47/89/608854789.db2.gz AZGHLUYDVLAPGO-QGZVFWFLSA-N 0 0 371.828 2.799 20 10 FFCDRN O=C1[C@H](Sc2nccs2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477584 609419606 /nfs/dbraw/zinc/41/96/06/609419606.db2.gz GZXYBOQZOGIBHT-GFCCVEGCSA-N 0 0 358.452 2.611 20 10 FFCDRN O=C(NCCCSc1nccs1)NCc1cn(-c2ccccc2)nn1 ZINC000154437115 728804480 /nfs/dbraw/zinc/80/44/80/728804480.db2.gz RTXZNBHQSJQTSJ-UHFFFAOYSA-N 0 0 374.495 2.705 20 10 FFCDRN CN(Cc1nccn1C(F)F)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000154995261 728817609 /nfs/dbraw/zinc/81/76/09/728817609.db2.gz UIJBCATZNVOVKI-UHFFFAOYSA-N 0 0 354.376 2.886 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(OC)nc1 ZINC000743808740 735320619 /nfs/dbraw/zinc/32/06/19/735320619.db2.gz CTQXAERTKDKRLA-UHFFFAOYSA-N 0 0 366.215 2.616 20 10 FFCDRN [O-]c1c(F)cc(F)cc1C[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000898720888 735399305 /nfs/dbraw/zinc/39/93/05/735399305.db2.gz NOJFBECQUDNMKZ-SNVBAGLBSA-N 0 0 358.186 2.734 20 10 FFCDRN CC[C@@H](O)CCCNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000745591943 735431200 /nfs/dbraw/zinc/43/12/00/735431200.db2.gz DEMLNFDGBCXSHK-QGZVFWFLSA-N 0 0 351.516 2.590 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCC2(SC)CCOCC2)c1 ZINC000745868663 735448274 /nfs/dbraw/zinc/44/82/74/735448274.db2.gz LFTANQZUEUHAKQ-GFCCVEGCSA-N 0 0 354.472 2.673 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cccc(Br)c2)cc1 ZINC000007908374 727799927 /nfs/dbraw/zinc/79/99/27/727799927.db2.gz BEXKRNFIDDVSIX-UHFFFAOYSA-N 0 0 369.284 2.994 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CN1C(=S)N=NC1c1cccs1 ZINC000042117617 727953381 /nfs/dbraw/zinc/95/33/81/727953381.db2.gz OIKDUCYPRKVUHB-UHFFFAOYSA-N 0 0 360.464 2.660 20 10 FFCDRN Cc1nc(-c2ncccn2)sc1C(=O)NCc1ccc(N(C)C)cc1 ZINC000047303195 728030658 /nfs/dbraw/zinc/03/06/58/728030658.db2.gz HQGHMCOLHRINTO-UHFFFAOYSA-N 0 0 353.451 2.905 20 10 FFCDRN Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)s1 ZINC000065277621 728156491 /nfs/dbraw/zinc/15/64/91/728156491.db2.gz ZCDXJLZCRYUMAS-AWEZNQCLSA-N 0 0 366.508 2.933 20 10 FFCDRN C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCCCSc1nccs1 ZINC000074136194 728232165 /nfs/dbraw/zinc/23/21/65/728232165.db2.gz PRTWSEMENCGBFK-BXUZGUMPSA-N 0 0 350.465 2.970 20 10 FFCDRN O=C(CCNC(=O)c1cccs1)NCc1c(O)ccc2c1CCCC2 ZINC000075160152 728244162 /nfs/dbraw/zinc/24/41/62/728244162.db2.gz QPELHWCHHATAFZ-UHFFFAOYSA-N 0 0 358.463 2.769 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N[C@@H](C)c3cccs3)CC2)cc1 ZINC000078868550 728305312 /nfs/dbraw/zinc/30/53/12/728305312.db2.gz PWRVIHPIILASKN-HNNXBMFYSA-N 0 0 359.495 2.756 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@H]3CC[C@H](SC)C3)CC2)cc1F ZINC000084890994 728427212 /nfs/dbraw/zinc/42/72/12/728427212.db2.gz TZRNTUYLIAZFLB-ZFWWWQNUSA-N 0 0 367.490 2.950 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)c1[O-] ZINC000093011395 728473013 /nfs/dbraw/zinc/47/30/13/728473013.db2.gz VBQBJPYXRFIPPR-HNNXBMFYSA-N 0 0 369.849 2.641 20 10 FFCDRN [O-]c1c(Br)cccc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000093011845 728473080 /nfs/dbraw/zinc/47/30/80/728473080.db2.gz IGXLUBYJNKBCEC-OAHLLOKOSA-N 0 0 369.303 2.841 20 10 FFCDRN CCOc1ccc(O)c(CN2CCN(CC(F)(F)C(F)F)CC2)c1 ZINC000093416613 728475990 /nfs/dbraw/zinc/47/59/90/728475990.db2.gz SGKCNUXRCLUUQJ-UHFFFAOYSA-N 0 0 350.356 2.809 20 10 FFCDRN CCCCc1nc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)no1 ZINC000109779920 728528996 /nfs/dbraw/zinc/52/89/96/728528996.db2.gz KLKLCQQLFREKOW-UHFFFAOYSA-N 0 0 367.833 2.946 20 10 FFCDRN CCCCc1noc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)n1 ZINC000109779668 728529021 /nfs/dbraw/zinc/52/90/21/728529021.db2.gz KXKMHCIFGLEMCP-UHFFFAOYSA-N 0 0 367.833 2.946 20 10 FFCDRN CN(C)c1ncc(Br)cc1C(=O)N(C)Cc1ccccc1O ZINC000113418777 728554887 /nfs/dbraw/zinc/55/48/87/728554887.db2.gz QYUDMZLCRPHFNL-UHFFFAOYSA-N 0 0 364.243 2.888 20 10 FFCDRN O=[N+]([O-])c1cc(S(=O)(=O)NCCCSc2nccs2)cs1 ZINC000119759311 728599939 /nfs/dbraw/zinc/59/99/39/728599939.db2.gz TZCXFVBWDHEAKN-UHFFFAOYSA-N 0 0 365.483 2.574 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 ZINC000119835563 728601120 /nfs/dbraw/zinc/60/11/20/728601120.db2.gz UAMPXKDUPSAOEC-UHFFFAOYSA-N 0 0 361.341 2.898 20 10 FFCDRN O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2nc(-c3ccccn3)cs2)cs1 ZINC000119968325 728603244 /nfs/dbraw/zinc/60/32/44/728603244.db2.gz FKGHVJSAPGVNNW-UHFFFAOYSA-N 0 0 368.421 2.976 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)CSCC(=O)N(C)C1CCCCC1 ZINC000120240721 728608384 /nfs/dbraw/zinc/60/83/84/728608384.db2.gz JACKIPQYLVBGNC-UHFFFAOYSA-N 0 0 364.511 2.875 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)C1(O)CCSCC1 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COc1ccc(O)c([C@@H](C)NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)c1 ZINC000170900624 728991506 /nfs/dbraw/zinc/99/15/06/728991506.db2.gz HHMLHFPBZSSXIT-NEPJUHHUSA-N 0 0 360.376 2.852 20 10 FFCDRN CC(C)(C)C[C@H](O)CNC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000172285525 729023233 /nfs/dbraw/zinc/02/32/33/729023233.db2.gz HMBFKMYQGXZFTE-KRWDZBQOSA-N 0 0 365.543 2.836 20 10 FFCDRN COc1ccc(O)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(F)c2)c1 ZINC000751318672 735863848 /nfs/dbraw/zinc/86/38/48/735863848.db2.gz OAMGRSNNHMWQIK-JTQLQIEISA-N 0 0 355.387 2.588 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cccc(F)c2C)cc1 ZINC000174682932 729076584 /nfs/dbraw/zinc/07/65/84/729076584.db2.gz DVPUAJHCJVZLMI-UHFFFAOYSA-N 0 0 372.443 2.697 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccc([S@](C)=O)c(F)c2)c1O ZINC000175879676 729103363 /nfs/dbraw/zinc/10/33/63/729103363.db2.gz ACGJHJSLBPWRBI-DEOSSOPVSA-N 0 0 352.387 2.599 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@@H]2c2ccccc2)c1O ZINC000177261957 729133066 /nfs/dbraw/zinc/13/30/66/729133066.db2.gz 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/nfs/dbraw/zinc/26/63/59/729266359.db2.gz AWXCQQBZFDCJKP-ZDUSSCGKSA-N 0 0 350.346 2.619 20 10 FFCDRN COC(=O)CCCCC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000187344415 729374912 /nfs/dbraw/zinc/37/49/12/729374912.db2.gz TYVNZHNUIJDLDQ-UHFFFAOYSA-N 0 0 350.484 2.589 20 10 FFCDRN COc1cc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)ccc1F ZINC000190519041 729408982 /nfs/dbraw/zinc/40/89/82/729408982.db2.gz BUDXFUNNJBEBPR-UHFFFAOYSA-N 0 0 364.442 2.913 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1c[nH]c(=S)[nH]1 ZINC000193097877 729468171 /nfs/dbraw/zinc/46/81/71/729468171.db2.gz BBFAKPKMVFWEHJ-JTQLQIEISA-N 0 0 368.409 2.699 20 10 FFCDRN CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000246844518 729591355 /nfs/dbraw/zinc/59/13/55/729591355.db2.gz FCXUDYUWOAHMKG-VBNZEHGJSA-N 0 0 354.397 2.798 20 10 FFCDRN O=C1NCCN(Cc2ccccc2O)[C@@H]1c1cccc(Br)c1 ZINC000779029165 738430881 /nfs/dbraw/zinc/43/08/81/738430881.db2.gz FKOIJPJZFASCQO-MRXNPFEDSA-N 0 0 361.239 2.828 20 10 FFCDRN CNC(=O)c1cncc(/C=C\C(=O)N(C)c2ccc(OC)c(Cl)c2)c1 ZINC000255510353 729641749 /nfs/dbraw/zinc/64/17/49/729641749.db2.gz WPQUVUFKKSNOLD-DAXSKMNVSA-N 0 0 359.813 2.779 20 10 FFCDRN COc1cc(Br)cc(CN2CCC(O)(C(F)F)CC2)c1O ZINC000779206761 738443114 /nfs/dbraw/zinc/44/31/14/738443114.db2.gz CMDOFNKOANGOAK-UHFFFAOYSA-N 0 0 366.202 2.755 20 10 FFCDRN COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc2cc(O)c(O)cc2s1 ZINC000907640419 736650760 /nfs/dbraw/zinc/65/07/60/736650760.db2.gz RFXMTNNIKOKOAN-ZXLZKYRFSA-N 0 0 361.419 2.726 20 10 FFCDRN O=C(CCCc1nccs1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000856213296 730316382 /nfs/dbraw/zinc/31/63/82/730316382.db2.gz GRRHIEZHVNUDMY-UHFFFAOYSA-N 0 0 359.495 2.743 20 10 FFCDRN CCOc1cncc(/C=C2\SC(=S)N(CCCC(=O)OC)C2=O)c1 ZINC000856719693 730349638 /nfs/dbraw/zinc/34/96/38/730349638.db2.gz VUHMJOYGPDQIOT-JYRVWZFOSA-N 0 0 366.464 2.635 20 10 FFCDRN CC1CC(CNC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1 ZINC000856863783 730362798 /nfs/dbraw/zinc/36/27/98/730362798.db2.gz 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ZINC000858960253 730438098 /nfs/dbraw/zinc/43/80/98/730438098.db2.gz AFKZFVGCOBAKLE-GOSISDBHSA-N 0 0 366.527 2.910 20 10 FFCDRN Cc1ncc(S(=O)(=O)N(Cc2ccccc2O)C2CCCCC2)n1C ZINC000859001525 730439171 /nfs/dbraw/zinc/43/91/71/730439171.db2.gz MPFYZAPJBFTDQV-UHFFFAOYSA-N 0 0 363.483 2.958 20 10 FFCDRN Cc1cc(CNS(=O)(=O)C[C@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000859363476 730452053 /nfs/dbraw/zinc/45/20/53/730452053.db2.gz ZIYOWXZRTMWNRZ-KRWDZBQOSA-N 0 0 362.495 2.858 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1cccc(N=S(C)(C)=O)c1 ZINC000860697213 730538366 /nfs/dbraw/zinc/53/83/66/730538366.db2.gz PYNBQQZRMHOCKF-LBPRGKRZSA-N 0 0 362.451 2.818 20 10 FFCDRN CCOC(=O)N[C@@H]1CCCN(Cc2c(O)cccc2Br)C1 ZINC000862219296 730677512 /nfs/dbraw/zinc/67/75/12/730677512.db2.gz KFECAEYSNZBCEO-LLVKDONJSA-N 0 0 357.248 2.865 20 10 FFCDRN CN(C)c1cc(F)c(CN2CCCC[C@H]2CN2CCOCC2)cc1F ZINC000862238711 730680019 /nfs/dbraw/zinc/68/00/19/730680019.db2.gz GTSHOXSDFKNFLG-INIZCTEOSA-N 0 0 353.457 2.718 20 10 FFCDRN OCCN(CCOCC(F)(F)F)Cc1c(O)cccc1Br ZINC000862242969 730680732 /nfs/dbraw/zinc/68/07/32/730680732.db2.gz VMTDAKFBZXRKTG-UHFFFAOYSA-N 0 0 372.181 2.528 20 10 FFCDRN CN(C)c1cc(F)c(CN(C)[C@H]2CCCC[C@@H]2S(C)(=O)=O)cc1F ZINC000862249072 730681694 /nfs/dbraw/zinc/68/16/94/730681694.db2.gz WOERASICADTUGJ-RDJZCZTQSA-N 0 0 360.470 2.818 20 10 FFCDRN CO[C@@H]1CC[C@@H]2OCCN(Cc3c(O)cccc3Br)[C@H]2C1 ZINC000862252757 730682374 /nfs/dbraw/zinc/68/23/74/730682374.db2.gz GRGMOOAUUVZMPT-WPGHFRTFSA-N 0 0 356.260 2.923 20 10 FFCDRN COC(=O)[C@@H](C[C@@H]1CCCOC1)NCc1cc(Cl)cc(OC)c1O ZINC000862516237 730706119 /nfs/dbraw/zinc/70/61/19/730706119.db2.gz NLADCSHOXFKGKL-SMDDNHRTSA-N 0 0 357.834 2.502 20 10 FFCDRN CCCS(=O)(=O)Nc1ccc(C(=O)NCc2cc(C)ccc2O)cc1 ZINC000862760329 730724030 /nfs/dbraw/zinc/72/40/30/730724030.db2.gz QHBUAINIJRLWSA-UHFFFAOYSA-N 0 0 362.451 2.782 20 10 FFCDRN Cc1cc(CNC(=O)[C@@H]2CCCS2(=O)=O)c(C)n1-c1cccc(C)c1 ZINC000863159829 730753225 /nfs/dbraw/zinc/75/32/25/730753225.db2.gz 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O=S(=O)(CCC[NH+]1CCCC1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000867269411 731163625 /nfs/dbraw/zinc/16/36/25/731163625.db2.gz DOQMVWHWMAIVQG-UHFFFAOYSA-N 0 0 367.298 2.604 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)N[C@H]1CCCC[C@H]1F ZINC000868116791 731260514 /nfs/dbraw/zinc/26/05/14/731260514.db2.gz NJIZAOUXECJPNA-ZBFHGGJFSA-N 0 0 353.413 2.742 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)C2(C(F)F)CCC2)cc1 ZINC000869708008 731430453 /nfs/dbraw/zinc/43/04/53/731430453.db2.gz OPBVRWADWACPSB-UHFFFAOYSA-N 0 0 354.397 2.690 20 10 FFCDRN COc1ccc(CS(C)(=O)=O)cc1NCc1cccc2c1CCOC2 ZINC000871837887 731687936 /nfs/dbraw/zinc/68/79/36/731687936.db2.gz LAPWTZAWXBFVRS-UHFFFAOYSA-N 0 0 361.463 2.925 20 10 FFCDRN O=c1[nH]nc(Cl)cc1NCc1cc(F)c(N2CCOCC2)c(F)c1 ZINC000872568465 731792324 /nfs/dbraw/zinc/79/23/24/731792324.db2.gz GPBGIXSOBFXCCQ-UHFFFAOYSA-N 0 0 356.760 2.563 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCc3ncc(Cl)s3)C2)cc1 ZINC000873062487 731869718 /nfs/dbraw/zinc/86/97/18/731869718.db2.gz RNKYYLKNPYXTDP-LLVKDONJSA-N 0 0 366.874 2.883 20 10 FFCDRN CCOC1CC2(C[C@H]2NC(=O)NCc2cc(Br)ccc2O)C1 ZINC000873279017 731896681 /nfs/dbraw/zinc/89/66/81/731896681.db2.gz GZLZMOMLZSCHSG-CXOJTPOUSA-N 0 0 369.259 2.912 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)cc1 ZINC000875121045 732129770 /nfs/dbraw/zinc/12/97/70/732129770.db2.gz MBDDXDZORUGCSE-FUMQJTLXSA-N 0 0 363.527 2.728 20 10 FFCDRN O=C(NCCCSc1nccs1)N1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000875375271 732149595 /nfs/dbraw/zinc/14/95/95/732149595.db2.gz ZMGRHLXWUDXXIO-MJBXVCDLSA-N 0 0 355.529 2.960 20 10 FFCDRN COc1ccc(OC)c(C[N@H+](CCO)Cc2ccc(F)c(F)c2[O-])c1 ZINC000876727744 732273207 /nfs/dbraw/zinc/27/32/07/732273207.db2.gz AZBYGTYQRWFXPZ-UHFFFAOYSA-N 0 0 353.365 2.682 20 10 FFCDRN CCOC(=O)c1cc(CN(C)c2cc(OC)c(OC)c(OC)c2)on1 ZINC000877179677 732331878 /nfs/dbraw/zinc/33/18/78/732331878.db2.gz GJTIZGFPZLRFTC-UHFFFAOYSA-N 0 0 350.371 2.514 20 10 FFCDRN C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000877505152 732375298 /nfs/dbraw/zinc/37/52/98/732375298.db2.gz XODYSRAFKBXDHE-LBPRGKRZSA-N 0 0 370.421 2.517 20 10 FFCDRN C[C@@H]1CO[C@H](C(F)(F)F)CN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000877516299 732378709 /nfs/dbraw/zinc/37/87/09/732378709.db2.gz YXBXQBCVLPAKBQ-DYVFJYSZSA-N 0 0 358.404 2.799 20 10 FFCDRN CCOC(=O)[C@@H](C)C1CN(Cc2cc(Br)cc(OC)c2O)C1 ZINC000877829362 732443219 /nfs/dbraw/zinc/44/32/19/732443219.db2.gz ROJIELSAXXWLLQ-JTQLQIEISA-N 0 0 372.259 2.794 20 10 FFCDRN COC(=O)[C@@H](NC1CCN(c2ccc(OC(F)F)cc2)CC1)C1CC1 ZINC000781587201 738638929 /nfs/dbraw/zinc/63/89/29/738638929.db2.gz BJADJCYZFUOFEX-INIZCTEOSA-N 0 0 354.397 2.798 20 10 FFCDRN COC(=O)c1cc(NC(=O)NCc2ccc(OC)cc2O)c(C)s1 ZINC000879856765 732788593 /nfs/dbraw/zinc/78/85/93/732788593.db2.gz ZWJMYGVQIPYCFX-UHFFFAOYSA-N 0 0 350.396 2.879 20 10 FFCDRN Cc1csc([C@H]2CCN(CC(=O)NCc3ccc(N(C)C)cc3)C2)n1 ZINC000880007868 732818007 /nfs/dbraw/zinc/81/80/07/732818007.db2.gz NEVUVGIYWIUWTK-INIZCTEOSA-N 0 0 358.511 2.623 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)c3cc(C(F)F)n[nH]3)C2)cc1 ZINC000880344418 732894148 /nfs/dbraw/zinc/89/41/48/732894148.db2.gz ZAHUVOVXDSECBM-NSHDSACASA-N 0 0 350.369 2.612 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCN(C(=O)C3CC3)CC2)c1 ZINC000781895140 738668808 /nfs/dbraw/zinc/66/88/08/738668808.db2.gz OAYBHTYAIPJJCU-UHFFFAOYSA-N 0 0 353.260 2.517 20 10 FFCDRN C[C@H](NS(=O)(=O)C[C@]1(C)CC1(F)F)c1ccc(N2CCOCC2)cc1 ZINC000881813233 733113782 /nfs/dbraw/zinc/11/37/82/733113782.db2.gz YERUXSBOUSBDGS-BBRMVZONSA-N 0 0 374.453 2.549 20 10 FFCDRN CCc1nn(C)cc1S(=O)(=O)N(Cc1ccccc1O)C1CCCC1 ZINC000881920419 733136625 /nfs/dbraw/zinc/13/66/25/733136625.db2.gz JTBCOAFNEGFFSK-UHFFFAOYSA-N 0 0 363.483 2.822 20 10 FFCDRN O=C(COC(=O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(O)c(O)c1 ZINC000782090499 738687715 /nfs/dbraw/zinc/68/77/15/738687715.db2.gz NLXMKIWTMPMVJP-UHFFFAOYSA-N 0 0 364.737 2.562 20 10 FFCDRN CC(C)(C)[S@@](=O)CC[NH2+]Cc1cc(Br)cc(F)c1[O-] ZINC000883008249 733320455 /nfs/dbraw/zinc/32/04/55/733320455.db2.gz VQUPMNWFRLCBEG-IBGZPJMESA-N 0 0 352.269 2.931 20 10 FFCDRN C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1[O-])[C@H]1CN(C)CCO1 ZINC000883051436 733326214 /nfs/dbraw/zinc/32/62/14/733326214.db2.gz BKRVFMHHUINEHS-NOZJJQNGSA-N 0 0 363.683 2.617 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+][C@@H](CCO)C1CCOCC1 ZINC000883088626 733331146 /nfs/dbraw/zinc/33/11/46/733331146.db2.gz LVTYDTKLRBKGJW-AWEZNQCLSA-N 0 0 362.239 2.561 20 10 FFCDRN CCn1cccc(C[NH2+]Cc2cc(Br)cc(F)c2[O-])c1=O ZINC000883106305 733334545 /nfs/dbraw/zinc/33/45/45/733334545.db2.gz OCXAYFLQGSDRCS-UHFFFAOYSA-N 0 0 355.207 2.765 20 10 FFCDRN [O-]c1c(Br)cc(Cl)cc1C[NH2+]CC[C@@]1(O)CCCOC1 ZINC000883158369 733343800 /nfs/dbraw/zinc/34/38/00/733343800.db2.gz DBGFFRMRPDLYCN-AWEZNQCLSA-N 0 0 364.667 2.829 20 10 FFCDRN CCN1C[C@H](C[NH2+]Cc2cc(Cl)cc(Br)c2[O-])CC1=O ZINC000883158942 733344047 /nfs/dbraw/zinc/34/40/47/733344047.db2.gz VWHDUTYXWUZMKW-VIFPVBQESA-N 0 0 361.667 2.766 20 10 FFCDRN C[C@H](C[NH2+]Cc1cc(F)cc(F)c1[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000883198877 733349547 /nfs/dbraw/zinc/34/95/47/733349547.db2.gz ROHQWLRMENSTMM-LLVKDONJSA-N 0 0 355.406 2.967 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCc2n[nH]c(CSC)n2)cc1 ZINC000884082537 733477229 /nfs/dbraw/zinc/47/72/29/733477229.db2.gz LDOLTFAPFXXPRK-UHFFFAOYSA-N 0 0 362.503 2.513 20 10 FFCDRN COC[C@H]([NH2+]Cc1cc(C)cc(Br)c1[O-])[C@H]1CCCOC1 ZINC000886357236 733776794 /nfs/dbraw/zinc/77/67/94/733776794.db2.gz CTKIKKRITIFLJK-WFASDCNBSA-N 0 0 358.276 2.994 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000890758155 734336370 /nfs/dbraw/zinc/33/63/70/734336370.db2.gz RYFVBQIRIIHXPG-AWEZNQCLSA-N 0 0 362.813 2.950 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)c1ccc(N2CCOCC2)c(F)c1 ZINC000890760599 734336950 /nfs/dbraw/zinc/33/69/50/734336950.db2.gz UWDUHYFVLCNBTI-UHFFFAOYSA-N 0 0 364.804 2.951 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)Cc2ccn(CC(F)(F)F)n2)cc1 ZINC000891664210 734458998 /nfs/dbraw/zinc/45/89/98/734458998.db2.gz AJDKHRFNACLWBJ-UHFFFAOYSA-N 0 0 354.376 2.713 20 10 FFCDRN CCOC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)OCO3)ccc1F ZINC000728500950 734529423 /nfs/dbraw/zinc/52/94/23/734529423.db2.gz AFIQHPSPRWQRTA-UHFFFAOYSA-N 0 0 367.354 2.532 20 10 FFCDRN O=[N+]([O-])c1cc(CN2CC(F)(F)C[C@H]2CO)ccc1N1CCCCC1 ZINC000783702818 738827939 /nfs/dbraw/zinc/82/79/39/738827939.db2.gz HRPKGECIBPQDGY-AWEZNQCLSA-N 0 0 355.385 2.787 20 10 FFCDRN C[S@](=O)CCNc1cccc(F)c1C(=O)c1ccc2c(c1)OCCO2 ZINC000892572211 734574956 /nfs/dbraw/zinc/57/49/56/734574956.db2.gz VEBZYAVALCMGQB-VWLOTQADSA-N 0 0 363.410 2.618 20 10 FFCDRN Cc1nnc(CNCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)s1 ZINC000892620777 734581501 /nfs/dbraw/zinc/58/15/01/734581501.db2.gz CUZLPYKJOIWZSD-RYUDHWBXSA-N 0 0 350.463 2.889 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000893582897 734722079 /nfs/dbraw/zinc/72/20/79/734722079.db2.gz WYPHKRUPHNRHDO-GFCCVEGCSA-N 0 0 364.808 2.658 20 10 FFCDRN O=C(C1=CC(=O)CS1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000732257785 734728502 /nfs/dbraw/zinc/72/85/02/734728502.db2.gz BPWYJLUASAKIJN-UHFFFAOYSA-N 0 0 366.870 2.944 20 10 FFCDRN C[C@H](NC(=O)C1=CC(=O)CS1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000732283338 734730415 /nfs/dbraw/zinc/73/04/15/734730415.db2.gz HJWWYTYTEQABRO-LBPRGKRZSA-N 0 0 359.451 2.811 20 10 FFCDRN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)C2=CC(=O)CS2)c1 ZINC000732353505 734736731 /nfs/dbraw/zinc/73/67/31/734736731.db2.gz RRMYQDRCNSAABT-JTQLQIEISA-N 0 0 363.391 2.733 20 10 FFCDRN O=C(NCc1cccc(Cl)c1O)N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000893752038 734746585 /nfs/dbraw/zinc/74/65/85/734746585.db2.gz IYVWKDUZOGPYPC-LRDDRELGSA-N 0 0 356.875 2.900 20 10 FFCDRN COCC1(O)CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000894034215 734790313 /nfs/dbraw/zinc/79/03/13/734790313.db2.gz MIJGDIVGJWZUEU-UHFFFAOYSA-N 0 0 364.667 2.781 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000894093986 734800706 /nfs/dbraw/zinc/80/07/06/734800706.db2.gz JBPVHJPLMKFGRT-LLVKDONJSA-N 0 0 369.238 2.798 20 10 FFCDRN COc1cc(C)cc(CNc2ccc(N3CCCS3(=O)=O)cc2)c1O ZINC000894101121 734801427 /nfs/dbraw/zinc/80/14/27/734801427.db2.gz KAOCLTSZZXMALH-UHFFFAOYSA-N 0 0 362.451 2.861 20 10 FFCDRN CCS(=O)(=O)C[C@@H](C)NC(=O)c1cc(C)n(-c2cccc(C)c2)c1C ZINC000733290891 734804655 /nfs/dbraw/zinc/80/46/55/734804655.db2.gz CNLRBBIDVSRPHG-CQSZACIVSA-N 0 0 362.495 2.956 20 10 FFCDRN Cc1nn(C)c2nc(C)cc(C(=O)NCCCSc3nccs3)c12 ZINC000733880262 734855801 /nfs/dbraw/zinc/85/58/01/734855801.db2.gz DHOPTHHYBBHNOU-UHFFFAOYSA-N 0 0 361.496 2.954 20 10 FFCDRN Cc1nn(CCC(=O)NCCCSc2nccs2)c(C)c1[N+](=O)[O-] ZINC000733884374 734856306 /nfs/dbraw/zinc/85/63/06/734856306.db2.gz RTPHULHLCPCWNJ-UHFFFAOYSA-N 0 0 369.472 2.553 20 10 FFCDRN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Cl)c1O ZINC000894431485 734857349 /nfs/dbraw/zinc/85/73/49/734857349.db2.gz BLWAKBWCNXHQOM-JTQLQIEISA-N 0 0 357.838 2.758 20 10 FFCDRN CC[N@@H+]1CC[C@H]2OCCN(Cc3cc(Br)cc(F)c3[O-])[C@H]2C1 ZINC000894857467 734928627 /nfs/dbraw/zinc/92/86/27/734928627.db2.gz OAQHKBQODRIWPL-LSDHHAIUSA-N 0 0 373.266 2.589 20 10 FFCDRN CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Cl)cc(OC)c1O ZINC000895862090 735066143 /nfs/dbraw/zinc/06/61/43/735066143.db2.gz BXJTXIZKQIHIAY-ZIAGYGMSSA-N 0 0 357.834 2.645 20 10 FFCDRN CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1ccc(Br)cc1O ZINC000895863228 735066281 /nfs/dbraw/zinc/06/62/81/735066281.db2.gz JPXRVLLMGUXTGV-KBPBESRZSA-N 0 0 372.259 2.745 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](C(F)(F)F)C1 ZINC000740469378 735075732 /nfs/dbraw/zinc/07/57/32/735075732.db2.gz PSLUXBVYMKKTDZ-OAHLLOKOSA-N 0 0 357.376 2.760 20 10 FFCDRN CCO[C@@H]1C[C@](O)(CNC(=O)c2cc3cc(O)c(O)cc3s2)C1(C)C ZINC000897534793 735244031 /nfs/dbraw/zinc/24/40/31/735244031.db2.gz RZFVTSRZONOGMP-QAPCUYQASA-N 0 0 365.451 2.608 20 10 FFCDRN C[C@H]1OCC[C@@]12CN(C(=O)c1cc3cc(O)c(O)cc3s1)C[C@@H](C)O2 ZINC000897611829 735254352 /nfs/dbraw/zinc/25/43/52/735254352.db2.gz XJFXHIAHNLEEKZ-PJYBLOJUSA-N 0 0 363.435 2.721 20 10 FFCDRN Cc1ncccc1CCN1C(=O)CN(Cc2cc(Cl)ccc2O)C1=O ZINC000900176154 735609457 /nfs/dbraw/zinc/60/94/57/735609457.db2.gz FKOXQXRPKXZRJW-UHFFFAOYSA-N 0 0 359.813 2.756 20 10 FFCDRN O=C(Cc1csc(NC(=O)c2ccco2)n1)NCc1ccccc1O ZINC000748352837 735637907 /nfs/dbraw/zinc/63/79/07/735637907.db2.gz GHNHZGHETZROJS-UHFFFAOYSA-N 0 0 357.391 2.553 20 10 FFCDRN O=C(NCc1ccccc1O)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000748482144 735649256 /nfs/dbraw/zinc/64/92/56/735649256.db2.gz QLHWRFRGZFPSCL-UHFFFAOYSA-N 0 0 353.403 2.771 20 10 FFCDRN CC[C@@H](O)[C@@H](C)C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000900509834 735654969 /nfs/dbraw/zinc/65/49/69/735654969.db2.gz ZJOFGJXBVJJBIZ-MLGOLLRUSA-N 0 0 356.413 2.780 20 10 FFCDRN Clc1ccncc1-c1cn(Cc2ccc(N3CCOCC3)cc2)nn1 ZINC000900602395 735667312 /nfs/dbraw/zinc/66/73/12/735667312.db2.gz VTJKUYJHCYQDRN-UHFFFAOYSA-N 0 0 355.829 2.878 20 10 FFCDRN O=C(Cc1cccc(F)c1)N1CCCN(C(=O)C2=CC(=O)CS2)CC1 ZINC000748859473 735677441 /nfs/dbraw/zinc/67/74/41/735677441.db2.gz CYCKILBUTVKNER-UHFFFAOYSA-N 0 0 362.426 2.510 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)CSC(C)(C)C)cc1 ZINC000749162810 735699553 /nfs/dbraw/zinc/69/95/53/735699553.db2.gz BXXHQZKUYXATQZ-UHFFFAOYSA-N 0 0 352.500 2.786 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccccc1OCC(F)F ZINC000901442023 735779255 /nfs/dbraw/zinc/77/92/55/735779255.db2.gz FRHPPSBFTPMRBS-UKTHLTGXSA-N 0 0 354.378 2.633 20 10 FFCDRN CCC[C@H](O)CC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000750352002 735784888 /nfs/dbraw/zinc/78/48/88/735784888.db2.gz CQXXIWMUWNZRBQ-HIFRSBDPSA-N 0 0 356.413 2.924 20 10 FFCDRN CS[C@H](C)CNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1 ZINC000752149905 735961103 /nfs/dbraw/zinc/96/11/03/735961103.db2.gz OVAXNYQYZHUWPD-MELADBBJSA-N 0 0 369.506 2.990 20 10 FFCDRN C[C@H]([NH2+]CCCc1nnnn1C)c1cc(Br)cc(Cl)c1[O-] ZINC000903348843 736078417 /nfs/dbraw/zinc/07/84/17/736078417.db2.gz MKJQQPCFQJXQBI-QMMMGPOBSA-N 0 0 374.670 2.615 20 10 FFCDRN COC[C@H](C)CC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000755199629 736241620 /nfs/dbraw/zinc/24/16/20/736241620.db2.gz DBIBBRJGSHGFDF-KFWWJZLASA-N 0 0 352.450 2.728 20 10 FFCDRN CN1C(=O)C[C@@H](NC(=O)C2=CC(=O)CS2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000755295697 736247682 /nfs/dbraw/zinc/24/76/82/736247682.db2.gz FAJZAKPYLXTMRX-IUODEOHRSA-N 0 0 368.817 2.948 20 10 FFCDRN O=C1N=C(N2CCOCC2)SC1=Cc1c[nH]nc1-c1ccccc1F ZINC000755697969 736271746 /nfs/dbraw/zinc/27/17/46/736271746.db2.gz FEDQTCJQEVJOTR-ZROIWOOFSA-N 0 0 358.398 2.518 20 10 FFCDRN CC(C)C[C@H](C[NH2+]Cc1ccc(N2CCOCC2)c(F)c1)CC(=O)[O-] ZINC000756309216 736321817 /nfs/dbraw/zinc/32/18/17/736321817.db2.gz UPFCFLIFWGKLNL-INIZCTEOSA-N 0 0 352.450 2.889 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000756384958 736326831 /nfs/dbraw/zinc/32/68/31/736326831.db2.gz QGNKYIHINHZTIZ-NSHDSACASA-N 0 0 365.411 2.523 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2nccn2CC(F)(F)F)c1 ZINC000756539470 736339513 /nfs/dbraw/zinc/33/95/13/736339513.db2.gz NRWTTZLWFHUEFN-JTQLQIEISA-N 0 0 357.332 2.788 20 10 FFCDRN CC(C)OC(=O)N1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000756709121 736353908 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FFCDRN C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792829216 739711098 /nfs/dbraw/zinc/71/10/98/739711098.db2.gz PKMNNIOGQIHZHL-RYUDHWBXSA-N 0 0 364.433 2.779 20 10 FFCDRN COc1ccc(CNC(=O)NCc2csc([C@H](C)OC)n2)c(O)c1 ZINC000792977087 739725562 /nfs/dbraw/zinc/72/55/62/739725562.db2.gz INWCYEFCJSXSQB-JTQLQIEISA-N 0 0 351.428 2.564 20 10 FFCDRN CC[C@H]1C[N@H+](Cc2cccc(Br)c2[O-])C[C@@]2(CCOC2)O1 ZINC000793363224 739774002 /nfs/dbraw/zinc/77/40/02/739774002.db2.gz RGKXKXDXHKVBDL-XJKSGUPXSA-N 0 0 356.260 2.925 20 10 FFCDRN C[C@@H](Cc1ccsc1)NC(=O)C(=O)NCCCSc1nccs1 ZINC000793788324 739814054 /nfs/dbraw/zinc/81/40/54/739814054.db2.gz IBFBLOXVGYTTHK-NSHDSACASA-N 0 0 369.537 2.550 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2cc(Br)ccn2)c1 ZINC000794332630 739878295 /nfs/dbraw/zinc/87/82/95/739878295.db2.gz DPWWDKGSVDDQMZ-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN COc1ccc(CNC(=O)c2nc(Br)ccc2F)c(O)c1 ZINC000794380807 739884815 /nfs/dbraw/zinc/88/48/15/739884815.db2.gz 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FFCDRN CC[C@@H](CC(F)F)C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC000894591367 965496905 /nfs/dbraw/zinc/49/69/05/965496905.db2.gz CQGCYIXGNQXTCU-AWEZNQCLSA-N 0 0 367.440 2.686 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)CCc3ccsc3)cc2)CC1 ZINC000894596264 965510967 /nfs/dbraw/zinc/51/09/67/965510967.db2.gz PDKVGHIQLFAOKH-UHFFFAOYSA-N 0 0 371.506 2.699 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)/C=C\c3ccccc3)cc2)CC1 ZINC000894597992 965511850 /nfs/dbraw/zinc/51/18/50/965511850.db2.gz VHPFYDVOLQIQNQ-FLIBITNWSA-N 0 0 363.461 2.718 20 10 FFCDRN CC1(c2nnc(-c3cccc(F)c3)o2)CN(C(=O)c2cccc(O)c2O)C1 ZINC001167521331 966066577 /nfs/dbraw/zinc/06/65/77/966066577.db2.gz SCWSYZPKFMFMLL-UHFFFAOYSA-N 0 0 369.352 2.701 20 10 FFCDRN COc1ccc(N2CCN(CN3C(=O)C[C@@H]3c3ccccc3)CC2)cc1F ZINC000084926039 966214064 /nfs/dbraw/zinc/21/40/64/966214064.db2.gz SMKHREIJENSAJU-LJQANCHMSA-N 0 0 369.440 2.887 20 10 FFCDRN COCCOc1cccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000161146337 966240015 /nfs/dbraw/zinc/24/00/15/966240015.db2.gz 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ZINC001176576206 1013735030 /nfs/dbraw/zinc/73/50/30/1013735030.db2.gz HKOCPSVRFPFYAS-AWEZNQCLSA-N 0 0 364.442 2.894 20 10 FFCDRN CC(C)(C)OC(=O)Cc1cccnc1NCCc1cc(O)c(O)cc1O ZINC001168009085 967733638 /nfs/dbraw/zinc/73/36/38/967733638.db2.gz IOHITXGPJOFQTA-UHFFFAOYSA-N 0 0 360.410 2.737 20 10 FFCDRN Cc1cc(C(=O)NCC2CCS(=O)(=O)CC2)c(C)n1-c1ccccc1C ZINC000161963814 967839063 /nfs/dbraw/zinc/83/90/63/967839063.db2.gz AIJHFRXSTKMWPC-UHFFFAOYSA-N 0 0 374.506 2.957 20 10 FFCDRN O=c1c(NCCc2cc(O)c(O)cc2O)cccn1Cc1ccccc1 ZINC001168014207 968025213 /nfs/dbraw/zinc/02/52/13/968025213.db2.gz PZIYDFZVXSOELD-UHFFFAOYSA-N 0 0 352.390 2.668 20 10 FFCDRN COCc1ccccc1CNC(=O)CN(C)c1ccc(OC)c(OC)c1 ZINC000063617414 968152775 /nfs/dbraw/zinc/15/27/75/968152775.db2.gz FUMIAZJGSJVPSZ-UHFFFAOYSA-N 0 0 358.438 2.603 20 10 FFCDRN CC(C)c1nccn1CC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000874196990 1013784954 /nfs/dbraw/zinc/78/49/54/1013784954.db2.gz CICPZECVIOSBPU-MRXNPFEDSA-N 0 0 356.470 2.721 20 10 FFCDRN Cc1noc(CNC(=O)N(Cc2ccco2)Cc2ccc(N(C)C)cc2)n1 ZINC000727230622 968376099 /nfs/dbraw/zinc/37/60/99/968376099.db2.gz MRNFYMPNPAXXFD-UHFFFAOYSA-N 0 0 369.425 2.949 20 10 FFCDRN CN(C(=O)/C=C\c1cnc2ccccc2n1)c1ccc(S(C)(=O)=O)cc1 ZINC000255769016 968853612 /nfs/dbraw/zinc/85/36/12/968853612.db2.gz GYLVITKGQXIGBC-GHXNOFRVSA-N 0 0 367.430 2.710 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)Cn3ncc4cccnc43)cc2)CC1 ZINC000874445701 1013837448 /nfs/dbraw/zinc/83/74/48/1013837448.db2.gz HIIDGRUQUPPGSV-UHFFFAOYSA-N 0 0 363.465 2.984 20 10 FFCDRN C[C@@H](NC(=O)N[C@H](CO)Cc1ccc(F)cc1)c1ccc(N(C)C)cc1 ZINC000773614287 1013861176 /nfs/dbraw/zinc/86/11/76/1013861176.db2.gz SWSXCFJGDSYSKX-KDOFPFPSSA-N 0 0 359.445 2.856 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)c1O ZINC000178190358 969488743 /nfs/dbraw/zinc/48/87/43/969488743.db2.gz HRYBADSZWWPMQB-UHFFFAOYSA-N 0 0 350.374 2.890 20 10 FFCDRN Cc1cc(NC(=O)C(=O)N(Cc2ccccc2O)C2CCCCC2)nn1C ZINC000164309653 969748811 /nfs/dbraw/zinc/74/88/11/969748811.db2.gz JPXACHYNNXFFBI-UHFFFAOYSA-N 0 0 370.453 2.734 20 10 FFCDRN O=C(NC[C@H](c1cccs1)N1CCOCC1)N1Cc2cccc(O)c2C1 ZINC000874992562 1013941756 /nfs/dbraw/zinc/94/17/56/1013941756.db2.gz MDXRABMAJWQMDN-MRXNPFEDSA-N 0 0 373.478 2.552 20 10 FFCDRN COc1cc(OC)c(OC)cc1CNC(=O)N1Cc2cccc(O)c2C1 ZINC000875015067 1013948128 /nfs/dbraw/zinc/94/81/28/1013948128.db2.gz YNARMOIXMQLZHG-UHFFFAOYSA-N 0 0 358.394 2.643 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2cnc(C)s2)cc1 ZINC000875087158 1013965856 /nfs/dbraw/zinc/96/58/56/1013965856.db2.gz HORBNEHMWXQSOI-ZDUSSCGKSA-N 0 0 374.510 2.791 20 10 FFCDRN CCOc1ccc(O)c(CNc2ccc([C@@H]3CC(=O)NC(=O)N3)cc2)c1 ZINC000895348871 970448491 /nfs/dbraw/zinc/44/84/91/970448491.db2.gz BKWFZYHUDBIZSG-INIZCTEOSA-N 0 0 355.394 2.674 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3C[C@H](OC)CC[C@H]3C)CC2)cc1 ZINC000875210116 1013994030 /nfs/dbraw/zinc/99/40/30/1013994030.db2.gz FTLDHMVQXPRUJJ-DNVCBOLYSA-N 0 0 361.486 2.873 20 10 FFCDRN CCCc1c(C(=O)OCC(=O)c2ccc(O)c(O)c2)[nH]c(C)c1C(C)=O ZINC000783062398 970583145 /nfs/dbraw/zinc/58/31/45/970583145.db2.gz DYYOATWWLDEMTP-UHFFFAOYSA-N 0 0 359.378 2.929 20 10 FFCDRN COc1ccc(CN(CCO)Cc2ccc(N(C)C)c(F)c2)c(OC)c1 ZINC000125393922 1014017686 /nfs/dbraw/zinc/01/76/86/1014017686.db2.gz MUKGSPQFQJKGRM-UHFFFAOYSA-N 0 0 362.445 2.903 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NC3CCC4(CC3)OCCO4)ccc21 ZINC000125415779 1014028705 /nfs/dbraw/zinc/02/87/05/1014028705.db2.gz RRZCPMHNBNEDEQ-UHFFFAOYSA-N 0 0 359.470 2.554 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N3Cc4cccc(O)c4C3)C2)cc1 ZINC000875679019 1014061642 /nfs/dbraw/zinc/06/16/42/1014061642.db2.gz JPSBKPKAWVMNNP-OAHLLOKOSA-N 0 0 367.449 2.953 20 10 FFCDRN C[C@@H](NC(=O)N(C)C[C@H]1CCCCO1)c1ccc(N2CCOCC2)cc1 ZINC000125064627 973053882 /nfs/dbraw/zinc/05/38/82/973053882.db2.gz MONJGUHLEGEXCQ-VQIMIIECSA-N 0 0 361.486 2.795 20 10 FFCDRN Cc1cc(CNC(=O)N2CCn3nc(C)nc3C2)c(C)n1-c1ccccc1 ZINC000875879394 1014091042 /nfs/dbraw/zinc/09/10/42/1014091042.db2.gz XOZLHUQGXNQXDZ-UHFFFAOYSA-N 0 0 364.453 2.719 20 10 FFCDRN COc1c(F)ccc(-c2noc([C@@H](O)Cc3ccc(O)c(O)c3)n2)c1F ZINC001211665312 974034114 /nfs/dbraw/zinc/03/41/14/974034114.db2.gz NZHKQLRABZZXAJ-ZDUSSCGKSA-N 0 0 364.304 2.711 20 10 FFCDRN C[C@H](CNC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C)c1ccncc1 ZINC000893449739 974102806 /nfs/dbraw/zinc/10/28/06/974102806.db2.gz PZNGUNKGZPIXFL-OXQOHEQNSA-N 0 0 369.513 2.853 20 10 FFCDRN Oc1ccc(C[C@@H](O)c2nc(-c3cccc(C(F)(F)F)n3)no2)cc1O ZINC001211668467 974320210 /nfs/dbraw/zinc/32/02/10/974320210.db2.gz OPXZXFTVDJOHIE-GFCCVEGCSA-N 0 0 367.283 2.838 20 10 FFCDRN COc1ccc(CCNC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1O ZINC000876392697 1014253787 /nfs/dbraw/zinc/25/37/87/1014253787.db2.gz CJHSRGKJGMHATR-UHFFFAOYSA-N 0 0 357.454 2.851 20 10 FFCDRN COc1cccc(CNC(=O)c2cc(-c3ccccc3OC)on2)c1O ZINC000729859515 975498136 /nfs/dbraw/zinc/49/81/36/975498136.db2.gz RSXPMUFBZCLKFT-UHFFFAOYSA-N 0 0 354.362 2.994 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)cc1 ZINC000054582376 975784668 /nfs/dbraw/zinc/78/46/68/975784668.db2.gz VOOPAQDQPWQULP-UHFFFAOYSA-N 0 0 352.434 2.521 20 10 FFCDRN C[C@H]1CN(c2ccc(C(=O)NCCc3ccc(N)cc3)cc2)C[C@H](C)O1 ZINC000876527657 1014293330 /nfs/dbraw/zinc/29/33/30/1014293330.db2.gz JNUDSTDNHCMBMT-HOTGVXAUSA-N 0 0 353.466 2.855 20 10 FFCDRN CN(c1ccc2c(c1)CCCC2=O)S(=O)(=O)CCc1ccc(N)cc1 ZINC001213104721 976693747 /nfs/dbraw/zinc/69/37/47/976693747.db2.gz AGRARGNSGCKHQH-UHFFFAOYSA-N 0 0 358.463 2.797 20 10 FFCDRN COc1ccc(CNC(=O)N[C@@H](C)c2cnn(CC3CCC3)c2)c(O)c1 ZINC000898840643 976722836 /nfs/dbraw/zinc/72/28/36/976722836.db2.gz BPIOQFPRATUANB-ZDUSSCGKSA-N 0 0 358.442 2.958 20 10 FFCDRN O=C(C[C@@H]1CCC2(CCC2)O1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000898983630 976832601 /nfs/dbraw/zinc/83/26/01/976832601.db2.gz XCYWKDHZXISASV-IBGZPJMESA-N 0 0 358.482 2.756 20 10 FFCDRN Nc1ccc(CCNC(=O)C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000842238296 976964586 /nfs/dbraw/zinc/96/45/86/976964586.db2.gz NHCZGIFRUDBRTK-GOSISDBHSA-N 0 0 371.868 2.945 20 10 FFCDRN CNC(=O)[C@H]1CCCN1CC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C ZINC000178612646 977475177 /nfs/dbraw/zinc/47/51/77/977475177.db2.gz WCKQUYJJSUNFCX-GOSISDBHSA-N 0 0 357.429 2.626 20 10 FFCDRN Cc1n[nH]c(C)c1[C@H]1COCCN1Cc1ccc(N2CCC(O)CC2)cc1 ZINC000876809395 1014400964 /nfs/dbraw/zinc/40/09/64/1014400964.db2.gz FVSPRGPCHPZYCE-HXUWFJFHSA-N 0 0 370.497 2.561 20 10 FFCDRN Cc1cscc1NC(=O)C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000126220894 1014410833 /nfs/dbraw/zinc/41/08/33/1014410833.db2.gz NOGRXEYJHZTRQZ-CQSZACIVSA-N 0 0 373.478 2.709 20 10 FFCDRN CN(C(=O)/C=C/c1cnn(C)c1)c1cc(CNC(=O)OC(C)(C)C)ccn1 ZINC000894130890 977936457 /nfs/dbraw/zinc/93/64/57/977936457.db2.gz IKBFSXMYGXTQPQ-VOTSOKGWSA-N 0 0 371.441 2.516 20 10 FFCDRN Fc1cc(CNc2ccc(OC(F)F)nn2)cc(F)c1N1CCOCC1 ZINC000894151388 977994824 /nfs/dbraw/zinc/99/48/24/977994824.db2.gz NWGAGOQTNLFHOU-UHFFFAOYSA-N 0 0 372.322 2.805 20 10 FFCDRN COC(=O)c1c(CNCc2ccc(OC)nc2)c2cc(F)ccc2n1C ZINC000894165493 978055036 /nfs/dbraw/zinc/05/50/36/978055036.db2.gz LMPLVDVTWWSSOR-UHFFFAOYSA-N 0 0 357.385 2.797 20 10 FFCDRN CCOC(=O)c1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2O)nc1C ZINC000728978503 978136321 /nfs/dbraw/zinc/13/63/21/978136321.db2.gz QUOMPENOXNTAAW-GFCCVEGCSA-N 0 0 358.394 2.772 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cc(C)nc3c2c(C)nn3C)c1 ZINC000728979999 978145712 /nfs/dbraw/zinc/14/57/12/978145712.db2.gz SWZFYJFVLAUMOJ-LLVKDONJSA-N 0 0 354.410 2.790 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)Nc2cccc(Cn3cncn3)c2)c1 ZINC000729035246 978163971 /nfs/dbraw/zinc/16/39/71/978163971.db2.gz ZPLHPLMKWDCFCK-ZDUSSCGKSA-N 0 0 367.409 2.923 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(=O)Nc2ccc3ncccc3c2)c1 ZINC000729063707 978170084 /nfs/dbraw/zinc/17/00/84/978170084.db2.gz KSSRIWOLDIRYDJ-LBPRGKRZSA-N 0 0 365.389 2.765 20 10 FFCDRN CC(C)[C@H](NC(=O)NC(C)(C)C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000729259723 978221473 /nfs/dbraw/zinc/22/14/73/978221473.db2.gz UIQNFQVXIDDTBI-KRWDZBQOSA-N 0 0 362.518 2.833 20 10 FFCDRN COc1ccc([C@@H]2[C@@H](C(=O)N(C)c3ccc(N)cc3)CCC(=O)N2C)cc1 ZINC000877078360 1014469701 /nfs/dbraw/zinc/46/97/01/1014469701.db2.gz NNKJQFQUCJCNSK-AZUAARDMSA-N 0 0 367.449 2.850 20 10 FFCDRN CN(C)C(=O)c1ccc(NCc2ccc(N3CCC(O)CC3)cc2)cc1 ZINC000877493846 1014599099 /nfs/dbraw/zinc/59/90/99/1014599099.db2.gz IEGKPOXEVDNMOO-UHFFFAOYSA-N 0 0 353.466 2.962 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)N[C@@H](CO)C[C@H]2CCCO2)c1 ZINC000923750719 979834257 /nfs/dbraw/zinc/83/42/57/979834257.db2.gz WUTLTFGRRNVKGV-UYAOXDASSA-N 0 0 370.449 2.566 20 10 FFCDRN Cn1cc([C@H](NCc2ccc(N3CCC(O)CC3)cc2)C(F)(F)F)cn1 ZINC000877519006 1014609928 /nfs/dbraw/zinc/60/99/28/1014609928.db2.gz WCEXWHTZTGWVAB-KRWDZBQOSA-N 0 0 368.403 2.774 20 10 FFCDRN COc1cccc(-c2nc(C(=O)NCc3ccc(N(C)C)cc3)no2)c1 ZINC000760195499 980199225 /nfs/dbraw/zinc/19/92/25/980199225.db2.gz TYXNXMDXPKKMLI-UHFFFAOYSA-N 0 0 352.394 2.741 20 10 FFCDRN CN(C)c1ccc([C@H](C[NH2+][C@H]2C[C@@H](NC(=O)[O-])C23CCC3)N(C)C)cc1 ZINC000904273046 980228018 /nfs/dbraw/zinc/22/80/18/980228018.db2.gz POOYPUWZTBVMLT-OKZBNKHCSA-N 0 0 360.502 2.524 20 10 FFCDRN COc1ccc(N2CCN(CN3C(=O)C[C@@H]3c3ccccc3)CC2)cc1 ZINC000054422617 980589788 /nfs/dbraw/zinc/58/97/88/980589788.db2.gz UWMUXWSRJWNAJW-HXUWFJFHSA-N 0 0 351.450 2.748 20 10 FFCDRN COc1ccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc1F ZINC000054431372 980901756 /nfs/dbraw/zinc/90/17/56/980901756.db2.gz JNAMBKZMFJYUOS-UHFFFAOYSA-N 0 0 359.401 2.993 20 10 FFCDRN CC[C@@H](C)NC(=O)c1cccc(CNC(=O)NCCc2ccc(N)cc2)c1 ZINC000841696193 981201736 /nfs/dbraw/zinc/20/17/36/981201736.db2.gz PKWQUVOIEYIUSY-OAHLLOKOSA-N 0 0 368.481 2.839 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cnn(-c2ccccc2F)c1 ZINC000135173277 981260969 /nfs/dbraw/zinc/26/09/69/981260969.db2.gz JUGTYSSDGHGKNI-UHFFFAOYSA-N 0 0 356.357 2.787 20 10 FFCDRN COC(=O)c1ccccc1NC(=O)CN1CCCc2cc(OC)ccc21 ZINC000027578867 981553369 /nfs/dbraw/zinc/55/33/69/981553369.db2.gz OQZMFDDXPOVDDI-UHFFFAOYSA-N 0 0 354.406 2.873 20 10 FFCDRN 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/nfs/dbraw/zinc/49/15/84/998491584.db2.gz AZOPIRYEPYTTGZ-UHFFFAOYSA-N 0 0 365.231 2.695 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)NCc2nonc2C)CCCC1 ZINC000845548289 998592981 /nfs/dbraw/zinc/59/29/81/998592981.db2.gz GOFZZFWQIDAXEV-UHFFFAOYSA-N 0 0 354.410 2.537 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2ccc3nnc([C@H]4C[C@H]4C)n3n2)cc1 ZINC000845671121 998628269 /nfs/dbraw/zinc/62/82/69/998628269.db2.gz ZFNCABQYWKNLCF-PBHICJAKSA-N 0 0 366.469 2.829 20 10 FFCDRN CCOC[C@H](O)CN1CCCc2cc(CNC(=O)OC(C)(C)C)ccc21 ZINC000733613344 999027944 /nfs/dbraw/zinc/02/79/44/999027944.db2.gz NZNRDKWFJUYLKD-QGZVFWFLSA-N 0 0 364.486 2.861 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC000734060712 999186830 /nfs/dbraw/zinc/18/68/30/999186830.db2.gz GJZHNOPWAYTXQX-UHFFFAOYSA-N 0 0 357.410 2.559 20 10 FFCDRN COc1ccc(O)c(CNC(=O)N[C@H](C)CCc2ccc3c(c2)OCO3)c1 ZINC000734068546 999190047 /nfs/dbraw/zinc/19/00/47/999190047.db2.gz XVJSRERGIUEVHJ-CYBMUJFWSA-N 0 0 372.421 2.950 20 10 FFCDRN Cc1cc(C(=O)CN2CCC[C@@H](OCCO)C2)c(C)n1-c1ccccc1 ZINC000734485241 999296358 /nfs/dbraw/zinc/29/63/58/999296358.db2.gz DWOULTJBYAVBHP-LJQANCHMSA-N 0 0 356.466 2.750 20 10 FFCDRN COc1ccc(N2CCN(C(=O)COC(=O)[C@H](C)C(C)(C)C)CC2)cc1 ZINC000734623772 999301546 /nfs/dbraw/zinc/30/15/46/999301546.db2.gz VGOIJBQXEDJPAR-HNNXBMFYSA-N 0 0 362.470 2.569 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N1CCN(C(=O)CC(C)(C)C)CC1 ZINC000734689289 999312128 /nfs/dbraw/zinc/31/21/28/999312128.db2.gz XSEUXCLZXRIBEV-UHFFFAOYSA-N 0 0 374.529 2.851 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)N[C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000734670015 999315706 /nfs/dbraw/zinc/31/57/06/999315706.db2.gz DEKFEFXCOOEECI-RDJZCZTQSA-N 0 0 360.502 2.507 20 10 FFCDRN COC(=O)[C@H](C)CNC(=O)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000737277939 999597012 /nfs/dbraw/zinc/59/70/12/999597012.db2.gz USTVZIQGRXILAR-CYBMUJFWSA-N 0 0 368.393 2.966 20 10 FFCDRN COc1cccc(C(=O)N2CCN(Cc3cc4c(cc3O)CCC4)CC2)c1 ZINC000738018387 999614572 /nfs/dbraw/zinc/61/45/72/999614572.db2.gz DOMBVNCQMJTVSE-UHFFFAOYSA-N 0 0 366.461 2.848 20 10 FFCDRN COc1ncccc1NC(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 ZINC000065278617 999650076 /nfs/dbraw/zinc/65/00/76/999650076.db2.gz VDVNWHRCSYHDFA-AWEZNQCLSA-N 0 0 356.426 2.810 20 10 FFCDRN COc1ccc(C(=O)Nc2cccc(N3CCC(C(N)=O)CC3)c2)cc1F ZINC000739768157 999654574 /nfs/dbraw/zinc/65/45/74/999654574.db2.gz MBGFVUJRQLPBKR-UHFFFAOYSA-N 0 0 371.412 2.788 20 10 FFCDRN CCc1cc(NC(=O)C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)no1 ZINC000740492525 999674686 /nfs/dbraw/zinc/67/46/86/999674686.db2.gz YDROVJXUZYEJDR-UHFFFAOYSA-N 0 0 370.453 2.824 20 10 FFCDRN COc1ccccc1OCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000740901384 999690336 /nfs/dbraw/zinc/69/03/36/999690336.db2.gz ARQBYDMYRSPRLI-UHFFFAOYSA-N 0 0 367.449 2.950 20 10 FFCDRN COc1ccccc1[C@H](CO)NC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000741090789 999708420 /nfs/dbraw/zinc/70/84/20/999708420.db2.gz ONYTVYNCQUTADB-IBGZPJMESA-N 0 0 367.449 2.604 20 10 FFCDRN Cc1ccc([C@@H](C)C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)o1 ZINC000742565802 999779242 /nfs/dbraw/zinc/77/92/42/999779242.db2.gz GPINZOJCVQXULJ-WBVHZDCISA-N 0 0 369.465 2.710 20 10 FFCDRN COC(=O)Nc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1 ZINC000742952216 999794644 /nfs/dbraw/zinc/79/46/44/999794644.db2.gz HADFJRNQWQFQFX-UHFFFAOYSA-N 0 0 355.394 2.970 20 10 FFCDRN O=C(NCc1c(O)ccc2c1CCCC2)Nc1ccc2c(c1)C(=O)NCC2 ZINC000743160038 999801875 /nfs/dbraw/zinc/80/18/75/999801875.db2.gz NGCZPVBFCKWEIA-UHFFFAOYSA-N 0 0 365.433 2.879 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)cc1 ZINC000743359989 999813640 /nfs/dbraw/zinc/81/36/40/999813640.db2.gz ZRSGCUNQQFUDBE-ROUUACIJSA-N 0 0 374.529 2.505 20 10 FFCDRN CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cc(C)ccc1-n1c(C)ccc1C ZINC000744884258 999882363 /nfs/dbraw/zinc/88/23/63/999882363.db2.gz GOQKMJLHPSQFFN-OAHLLOKOSA-N 0 0 371.437 2.794 20 10 FFCDRN CCC[C@@H](CCO)CNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000745780252 999930525 /nfs/dbraw/zinc/93/05/25/999930525.db2.gz RSGNREZCTMXHGF-SJORKVTESA-N 0 0 363.502 2.682 20 10 FFCDRN COc1cccc(CNC(=O)NCCCOc2ccccc2OC)c1O ZINC000745803762 999932211 /nfs/dbraw/zinc/93/22/11/999932211.db2.gz XFPHRUFNMOAJEN-UHFFFAOYSA-N 0 0 360.410 2.678 20 10 FFCDRN COc1cccc(OCCCNC(=O)NCc2cccc(OC)c2O)c1 ZINC000745833450 999933166 /nfs/dbraw/zinc/93/31/66/999933166.db2.gz XXQHJHNQTCUADR-UHFFFAOYSA-N 0 0 360.410 2.678 20 10 FFCDRN Cc1cc(CCNC(=O)[C@@H](O)C2CCOCC2)c(C)n1-c1ccccc1 ZINC000746106404 999949369 /nfs/dbraw/zinc/94/93/69/999949369.db2.gz RHILGBKEIQCNFW-FQEVSTJZSA-N 0 0 356.466 2.540 20 10 FFCDRN CCN(CC(=O)NC(=O)Nc1ccc(OC)cc1)c1ccc(OC)cc1 ZINC000746109083 999949624 /nfs/dbraw/zinc/94/96/24/999949624.db2.gz JFZQNSBLTVKIHQ-UHFFFAOYSA-N 0 0 357.410 2.878 20 10 FFCDRN CCOC1CCN(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)CC1 ZINC000065434795 999952861 /nfs/dbraw/zinc/95/28/61/999952861.db2.gz VJGBBECRPGDZIA-INIZCTEOSA-N 0 0 361.486 2.795 20 10 FFCDRN COc1ccc2c(c1)CCCN2CN1C(=O)N[C@@H](Cc2ccccc2)C1=O ZINC000766341344 999968526 /nfs/dbraw/zinc/96/85/26/999968526.db2.gz QPLOULPRSWNPPQ-SFHVURJKSA-N 0 0 365.433 2.568 20 10 FFCDRN C[C@@]1(C2CC2)NC(=O)N(CN2CCCc3cc(OC(F)F)ccc32)C1=O ZINC000766350823 999986141 /nfs/dbraw/zinc/98/61/41/999986141.db2.gz JQBHCYFTUCOVRD-SFHVURJKSA-N 0 0 365.380 2.719 20 10 FFCDRN Cc1cc(CC(=O)N2CCNC(=O)CC2(C)C)c(C)n1-c1ccccc1 ZINC001169460582 1000051613 /nfs/dbraw/zinc/05/16/13/1000051613.db2.gz UTBFNYJWVGFNJN-UHFFFAOYSA-N 0 0 353.466 2.764 20 10 FFCDRN COC(=O)C[C@]1(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)CCOC1 ZINC000766777784 1000067255 /nfs/dbraw/zinc/06/72/55/1000067255.db2.gz ALXDWELTCAXLGC-HXUWFJFHSA-N 0 0 356.422 2.546 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N[C@@H]3CCCc4c[nH]nc43)CC2)cc1 ZINC000766939083 1000093386 /nfs/dbraw/zinc/09/33/86/1000093386.db2.gz IXZHWIPGYXSGDL-GOSISDBHSA-N 0 0 369.469 2.764 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)C3(C)COC(C)(C)OC3)CC2)cc1 ZINC000767171763 1000101513 /nfs/dbraw/zinc/10/15/13/1000101513.db2.gz VOOSJGJNDYFHGG-UHFFFAOYSA-N 0 0 362.470 2.569 20 10 FFCDRN Cc1cc(F)ccc1-n1cc(C(=O)NCc2ccc(N(C)C)c(F)c2)nn1 ZINC000767334503 1000109257 /nfs/dbraw/zinc/10/92/57/1000109257.db2.gz MZHKYXJWQJXCHW-UHFFFAOYSA-N 0 0 371.391 2.850 20 10 FFCDRN CC(=O)c1cccc(C(=O)OCC(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000767439362 1000115071 /nfs/dbraw/zinc/11/50/71/1000115071.db2.gz BJKHWEZWUQEVEO-UHFFFAOYSA-N 0 0 368.433 2.771 20 10 FFCDRN CCOc1ccc(O)c(CN2Cc3ccccc3C[C@@H]2C(=O)NC2CC2)c1 ZINC000846000239 1000192251 /nfs/dbraw/zinc/19/22/51/1000192251.db2.gz SOOGPDSAPJWBFO-HXUWFJFHSA-N 0 0 366.461 2.996 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C(=O)Nc2cc(F)ccc2C)cc1 ZINC000846099071 1000207947 /nfs/dbraw/zinc/20/79/47/1000207947.db2.gz WFYBKOQASQYKAF-UHFFFAOYSA-N 0 0 373.428 2.676 20 10 FFCDRN COc1cccc([C@@H](C)Nc2ccc(CC(=O)N3CCOCC3)cc2)c1O ZINC000846160932 1000212405 /nfs/dbraw/zinc/21/24/05/1000212405.db2.gz ZUTIKRFGAATPJI-OAHLLOKOSA-N 0 0 370.449 2.975 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C(=O)N(C2CC2)C2CCCC2)cc1 ZINC000846240630 1000241942 /nfs/dbraw/zinc/24/19/42/1000241942.db2.gz BZJXVTLHYGGWQA-UHFFFAOYSA-N 0 0 373.497 2.523 20 10 FFCDRN C[C@@H]1C[C@H](c2ccccc2F)[N@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846250343 1000244673 /nfs/dbraw/zinc/24/46/73/1000244673.db2.gz ZHZLRJCNRHPSNN-BDJLRTHQSA-N 0 0 370.384 2.855 20 10 FFCDRN COc1cc(N(C)CCN(C)C(=O)OC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000768519949 1000277827 /nfs/dbraw/zinc/27/78/27/1000277827.db2.gz KLXNKNCHWQKGJS-UHFFFAOYSA-N 0 0 369.418 2.915 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)C[C@H](O)c2cccc(F)c2)cc1 ZINC000846442370 1000299188 /nfs/dbraw/zinc/29/91/88/1000299188.db2.gz OMGRTRCBLDNNNM-IBGZPJMESA-N 0 0 360.429 2.853 20 10 FFCDRN COC(=O)[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)c1ccc(F)c(C)c1 ZINC000768627761 1000308357 /nfs/dbraw/zinc/30/83/57/1000308357.db2.gz WHBBYLHBKWFVHG-SBLNNXNXSA-N 0 0 359.353 2.589 20 10 FFCDRN CCCCOc1c(F)c(F)ccc1NC(=O)CN1C(=O)CSC1=S ZINC001144847141 1000334835 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COc1cccc(O)c1CN1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000769129308 1000442070 /nfs/dbraw/zinc/44/20/70/1000442070.db2.gz RRASKIUBFPMYGL-UHFFFAOYSA-N 0 0 374.868 2.941 20 10 FFCDRN COc1cnc(F)c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC000846836089 1000454231 /nfs/dbraw/zinc/45/42/31/1000454231.db2.gz OEGGZMCBPMZQKD-CYBMUJFWSA-N 0 0 359.401 2.557 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)N[C@H]2CCOC3(CCOCC3)C2)cc1 ZINC000769203562 1000462892 /nfs/dbraw/zinc/46/28/92/1000462892.db2.gz CCWRPZYIRVPSAK-KRWDZBQOSA-N 0 0 361.486 2.622 20 10 FFCDRN COC(=O)[C@@H](NC(=O)/C=C\c1ccc(O)c(O)c1)c1cc(C)cc(C)c1 ZINC000769629315 1000554383 /nfs/dbraw/zinc/55/43/83/1000554383.db2.gz PFXPZVYKYKULPV-WPGJWXSHSA-N 0 0 355.390 2.758 20 10 FFCDRN Cc1ccccc1CN(C(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1 ZINC000769673471 1000574296 /nfs/dbraw/zinc/57/42/96/1000574296.db2.gz YHZBGXNKNIIYCF-UHFFFAOYSA-N 0 0 374.462 2.877 20 10 FFCDRN CC[C@]1(C)NC(=O)N(NC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O ZINC000769830148 1000616344 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COc1ccc(CNC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c(O)c1 ZINC000794370608 1003608131 /nfs/dbraw/zinc/60/81/31/1003608131.db2.gz QQJDHLJLZPZYGM-UHFFFAOYSA-N 0 0 370.449 2.745 20 10 FFCDRN COc1ccc(CNC(=O)c2ccc(-c3cncnc3)cc2F)c(O)c1 ZINC000794374909 1003618641 /nfs/dbraw/zinc/61/86/41/1003618641.db2.gz ZBAPGHDQULVWJH-UHFFFAOYSA-N 0 0 353.353 2.927 20 10 FFCDRN COc1ccc(CNC(=O)c2cc(-c3ccccc3OC)on2)c(O)c1 ZINC000794384333 1003622972 /nfs/dbraw/zinc/62/29/72/1003622972.db2.gz ZZGKEESXBZWQJI-UHFFFAOYSA-N 0 0 354.362 2.994 20 10 FFCDRN Cn1cccc1-c1cc(C(=O)N2CCCc3cc(O)c(O)cc3C2)no1 ZINC001196001708 1003629314 /nfs/dbraw/zinc/62/93/14/1003629314.db2.gz PORONLJCFJSMHR-UHFFFAOYSA-N 0 0 353.378 2.680 20 10 FFCDRN C[C@@H](NS(=O)(=O)c1cccc(Br)n1)c1ccccc1O ZINC001196326066 1003743503 /nfs/dbraw/zinc/74/35/03/1003743503.db2.gz ATPYXDYRYZXSDM-SECBINFHSA-N 0 0 357.229 2.589 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1ccc(N2CCC(C)CC2)cc1)C1CCC1 ZINC000805026446 1003923956 /nfs/dbraw/zinc/92/39/56/1003923956.db2.gz 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2.590 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000806948780 1004472360 /nfs/dbraw/zinc/47/23/60/1004472360.db2.gz CJRBUNVINLNEIB-SCAQPMJSSA-N 0 0 362.470 2.593 20 10 FFCDRN COCCn1nc(C)cc1C(=O)NCc1cc(Cl)c2cccnc2c1O ZINC001198098064 1004480992 /nfs/dbraw/zinc/48/09/92/1004480992.db2.gz ISFDIVXJZSKKIF-UHFFFAOYSA-N 0 0 374.828 2.675 20 10 FFCDRN COCc1nc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)co1 ZINC000775824265 1004495451 /nfs/dbraw/zinc/49/54/51/1004495451.db2.gz OSEXYRYVOUBBBY-QGZVFWFLSA-N 0 0 373.453 2.708 20 10 FFCDRN O=S(=O)(NCc1cc2ccccc2cc1O)c1ccc2nccnc2c1 ZINC001198177163 1004521986 /nfs/dbraw/zinc/52/19/86/1004521986.db2.gz HXDXUFSNWVWVGA-UHFFFAOYSA-N 0 0 365.414 2.967 20 10 FFCDRN [NH3+]C1(c2ccc(F)cc2)CCN(C(=O)c2cc(O)c([O-])c(Cl)c2)CC1 ZINC001193633809 1004529943 /nfs/dbraw/zinc/52/99/43/1004529943.db2.gz HNQXZUNTUSBAPJ-UHFFFAOYSA-N 0 0 364.804 2.981 20 10 FFCDRN C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000807289594 1004548969 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COc1ccc(N2CC[C@@H](NC(=O)NCc3ccc4c(c3)CCO4)C2)cc1 ZINC000852037912 1005935656 /nfs/dbraw/zinc/93/56/56/1005935656.db2.gz DHZAZYRVKUICIR-QGZVFWFLSA-N 0 0 367.449 2.708 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)N[C@@H]3CC(C)(C)OC3(C)C)C2)cc1 ZINC000852246419 1005955102 /nfs/dbraw/zinc/95/51/02/1005955102.db2.gz HUSMGGJBHHXCKB-RHSMWYFYSA-N 0 0 361.486 2.919 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)NCCC[C@@H]3CCCCO3)C2)cc1 ZINC000852253924 1005956619 /nfs/dbraw/zinc/95/66/19/1005956619.db2.gz GEJBPUSYPXZZBA-APWZRJJASA-N 0 0 361.486 2.922 20 10 FFCDRN CC(C)NC(=O)[C@@H]1CCCN(C(=O)N[C@H](C)c2ccc(N(C)C)cc2)C1 ZINC000852261519 1005958133 /nfs/dbraw/zinc/95/81/33/1005958133.db2.gz RLGLSOJNDBILDY-NVXWUHKLSA-N 0 0 360.502 2.760 20 10 FFCDRN CC(C)NC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)C1 ZINC000852261518 1005958372 /nfs/dbraw/zinc/95/83/72/1005958372.db2.gz RLGLSOJNDBILDY-DOTOQJQBSA-N 0 0 360.502 2.760 20 10 FFCDRN COCCOCc1ccc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000813513302 1005963416 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Cc1c(CO)cc([N+](=O)[O-])c(N2CC[C@@H](c3ccccn3)C2)c1[N+](=O)[O-] ZINC000798417992 1031403369 /nfs/dbraw/zinc/40/33/69/1031403369.db2.gz XUTMFKRPVQYZLT-GFCCVEGCSA-N 0 0 358.354 2.693 20 10 FFCDRN COCCN(CC(=O)OC)Cc1ccc(OCc2ccccc2)cc1O ZINC001204816246 1031445179 /nfs/dbraw/zinc/44/51/79/1031445179.db2.gz IDWYLVXSTIAJBM-UHFFFAOYSA-N 0 0 359.422 2.593 20 10 FFCDRN CS(=O)(=O)N(c1cnc(Cl)n1[C@H]1CCCCO1)c1ccc(N)cc1 ZINC001205047392 1031494393 /nfs/dbraw/zinc/49/43/93/1031494393.db2.gz BBUGUWZCJTXACZ-CQSZACIVSA-N 0 0 370.862 2.916 20 10 FFCDRN CN(c1ccc2c(c1)OC(F)(F)O2)S(=O)(=O)Cc1ccc(N)cc1 ZINC001205086442 1031516156 /nfs/dbraw/zinc/51/61/56/1031516156.db2.gz UPGQQCMPVXZQBN-UHFFFAOYSA-N 0 0 356.350 2.557 20 10 FFCDRN C[C@H](NC(=O)Nc1ccc2c(c1)OCC(=O)N2C)c1ccc(N(C)C)cc1 ZINC000799244630 1031711825 /nfs/dbraw/zinc/71/18/25/1031711825.db2.gz JEMWTRSTPSIOFM-ZDUSSCGKSA-N 0 0 368.437 2.991 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2c[nH]c(C(N)=O)c2)c1 ZINC001150445905 1031715742 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COCCOCN1C[C@@]2(CC1=O)CCCCN2c1ccc(OC)cc1C ZINC001278091580 1043132706 /nfs/dbraw/zinc/13/27/06/1043132706.db2.gz YWEUETRGRCTEHS-FQEVSTJZSA-N 0 0 362.470 2.586 20 10 FFCDRN COC(=O)c1cccc([C@H]2C[NH2+]CCN2Cc2c([O-])cc(F)cc2F)c1 ZINC001237444109 1043169276 /nfs/dbraw/zinc/16/92/76/1043169276.db2.gz PGHAYFGSRUTHTA-QGZVFWFLSA-N 0 0 362.376 2.604 20 10 FFCDRN CCOc1ccc(N2CCN(Cc3cc(OC)nc(OC)c3)CC2)cc1 ZINC001237560065 1043240424 /nfs/dbraw/zinc/24/04/24/1043240424.db2.gz PDDZTOPFOUYLMI-UHFFFAOYSA-N 0 0 357.454 2.820 20 10 FFCDRN O=C1[C@H]2C[N@H+](Cc3cc(Cl)cc(F)c3[O-])C[C@H]2CN1c1cccnc1 ZINC001237619696 1043278229 /nfs/dbraw/zinc/27/82/29/1043278229.db2.gz BSDQYDUBPNETPI-WFASDCNBSA-N 0 0 361.804 2.675 20 10 FFCDRN COCCN1CCC2(CC[NH+](Cc3cc(Cl)cc(F)c3[O-])CC2)C1=O ZINC001237619962 1043278310 /nfs/dbraw/zinc/27/83/10/1043278310.db2.gz SYGOUQAUHSKJGX-UHFFFAOYSA-N 0 0 370.852 2.646 20 10 FFCDRN CCOCc1cnc2n1CCN(Cc1cc(OC)cc(OC)c1O)[C@H]2C ZINC001237672850 1043304094 /nfs/dbraw/zinc/30/40/94/1043304094.db2.gz KBOJLUHXGYDRPU-ZDUSSCGKSA-N 0 0 361.442 2.719 20 10 FFCDRN Cc1cc(O)c(CN2CCN(c3ccncn3)CC2)cc1Br ZINC001237681089 1043306675 /nfs/dbraw/zinc/30/66/75/1043306675.db2.gz HEYLGYOEIPTCCE-UHFFFAOYSA-N 0 0 363.259 2.575 20 10 FFCDRN CCn1nnc2c1[C@H](COC)CN(Cc1cc(Cl)cc(C)c1O)C2 ZINC001237679254 1043307695 /nfs/dbraw/zinc/30/76/95/1043307695.db2.gz HDTNKYZVDMYSDF-ZDUSSCGKSA-N 0 0 350.850 2.711 20 10 FFCDRN COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(Br)c(C)cc1O ZINC001237682236 1043308674 /nfs/dbraw/zinc/30/86/74/1043308674.db2.gz OJACUOYKMSSEMU-NSHDSACASA-N 0 0 364.186 2.846 20 10 FFCDRN COc1cc(CN2Cc3nnc(C(F)(F)F)n3[C@@H](C)C2)c(O)c(OC)c1 ZINC001237684827 1043311144 /nfs/dbraw/zinc/31/11/44/1043311144.db2.gz SDWCOPBZSGVVRX-VIFPVBQESA-N 0 0 372.347 2.597 20 10 FFCDRN Cc1cc(Cl)cc(CN2CCn3c(Br)nnc3C2)c1O ZINC001237687607 1043314954 /nfs/dbraw/zinc/31/49/54/1043314954.db2.gz OYUWFPCRCHMNSZ-UHFFFAOYSA-N 0 0 357.639 2.724 20 10 FFCDRN O=S(=O)([N-]c1ccc([C@H]2CC[NH2+]C2)cc1)c1cccc2nsnc21 ZINC001237718639 1043328207 /nfs/dbraw/zinc/32/82/07/1043328207.db2.gz ILSBAHUSFLDAHO-LBPRGKRZSA-N 0 0 360.464 2.569 20 10 FFCDRN Oc1c(I)cccc1CN1CCc2ncccc2C1 ZINC001237780088 1043352760 /nfs/dbraw/zinc/35/27/60/1043352760.db2.gz MNZLDTBPMOESNY-UHFFFAOYSA-N 0 0 366.202 2.950 20 10 FFCDRN CC(=O)[C@H]1CCCCN1Cc1cccc(I)c1O ZINC001237782056 1043356433 /nfs/dbraw/zinc/35/64/33/1043356433.db2.gz DAOTUPUWUPZMPB-CYBMUJFWSA-N 0 0 359.207 2.940 20 10 FFCDRN NC(=O)C12CC(NC(=O)c3ccc(NN=C4C=CC(=O)C=C4)cc3)(C1)C2 ZINC001279667130 1043433988 /nfs/dbraw/zinc/43/39/88/1043433988.db2.gz PRHADWJYGNBYFK-UHFFFAOYSA-N 0 0 350.378 2.945 20 10 FFCDRN CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(Cl)cc2O)C[C@H](O)C1 ZINC001237935289 1043441411 /nfs/dbraw/zinc/44/14/11/1043441411.db2.gz UTWJKGBIEZESAM-LBPRGKRZSA-N 0 0 374.840 2.598 20 10 FFCDRN Cc1cc(F)cc(CN2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)c1O ZINC001238059361 1043505641 /nfs/dbraw/zinc/50/56/41/1043505641.db2.gz CHCLPYXSLBJLHQ-HNNXBMFYSA-N 0 0 354.422 2.565 20 10 FFCDRN CO[C@@H](C)CS(=O)(=O)NCc1cc(C)n(-c2cccc(C)c2)c1C ZINC001309752811 1043509529 /nfs/dbraw/zinc/50/95/29/1043509529.db2.gz WXUNBZOIZKORMV-HNNXBMFYSA-N 0 0 350.484 2.857 20 10 FFCDRN CCOC[C@@H]1CN(Cc2cc(F)cc(C)c2O)Cc2nnn(CC3CC3)c21 ZINC001238065704 1043512529 /nfs/dbraw/zinc/51/25/29/1043512529.db2.gz ZAHYBUVCTVKIMI-INIZCTEOSA-N 0 0 374.460 2.977 20 10 FFCDRN O=[N+]([O-])c1c2cccnc2ccc1S(=O)(=O)N1Cc2cccc(O)c2C1 ZINC001309790663 1043528124 /nfs/dbraw/zinc/52/81/24/1043528124.db2.gz ZBTNVXKJGWTLQY-UHFFFAOYSA-N 0 0 371.374 2.553 20 10 FFCDRN COc1ccc(N2C[C@@H]3COC[C@H](C2)N3C(=O)[C@@H]2C=CCC=C2C)cc1 ZINC001279729569 1043544784 /nfs/dbraw/zinc/54/47/84/1043544784.db2.gz TWVHHRUDWBGSCW-WSTZPKSXSA-N 0 0 354.450 2.634 20 10 FFCDRN O=C([O-])[C@@H](CC[NH2+]Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1 ZINC000756307234 1043578933 /nfs/dbraw/zinc/57/89/33/1043578933.db2.gz BSISJWIQTKMUFC-FQEVSTJZSA-N 0 0 368.477 2.946 20 10 FFCDRN O=C([O-])[C@@H]([NH2+]Cc1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000756334154 1043584783 /nfs/dbraw/zinc/58/47/83/1043584783.db2.gz ZESCDMWBTXEQJM-SFHVURJKSA-N 0 0 362.376 2.717 20 10 FFCDRN COc1ccc(N2CC3(C2)CCN(C(=O)NCC(F)(F)F)C3)cc1F ZINC001279761783 1043601919 /nfs/dbraw/zinc/60/19/19/1043601919.db2.gz IVDULBOBBMAEBJ-UHFFFAOYSA-N 0 0 361.339 2.618 20 10 FFCDRN O=C(Cc1ccsc1)N1CCC12CN(c1ccc3c(c1)OCCO3)C2 ZINC001279765253 1043608700 /nfs/dbraw/zinc/60/87/00/1043608700.db2.gz TZRDMFMTNVIQJS-UHFFFAOYSA-N 0 0 356.447 2.553 20 10 FFCDRN COc1ccc(N2CC[C@H]3CN(C(=O)Cn4cc(Cl)cn4)C[C@H]32)c(C)c1 ZINC001279768218 1043612118 /nfs/dbraw/zinc/61/21/18/1043612118.db2.gz IJNMYHJSBDNUJW-KBXCAEBGSA-N 0 0 374.872 2.591 20 10 FFCDRN COc1ccc(N2CCC[C@@]3(CN(Cc4cn[nH]c4)CCO3)C2)c(C)c1 ZINC001279769492 1043613696 /nfs/dbraw/zinc/61/36/96/1043613696.db2.gz XJAKDLQRIOFFEF-HXUWFJFHSA-N 0 0 356.470 2.598 20 10 FFCDRN O=C([C@H]1CCC[C@]12CC[N@@H+](Cc1ccc(O)cc1O)C2)N1CCCCO1 ZINC001279847835 1043769065 /nfs/dbraw/zinc/76/90/65/1043769065.db2.gz UUNWCACCLNKIJN-YLJYHZDGSA-N 0 0 360.454 2.644 20 10 FFCDRN CCC1(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC[NH2+]CC1 ZINC001238858179 1043923148 /nfs/dbraw/zinc/92/31/48/1043923148.db2.gz BVKFDORRSQDLMI-UHFFFAOYSA-N 0 0 353.271 2.510 20 10 FFCDRN CC1(C)CCc2cc(S(=O)(=O)NCCc3ccc(N)cc3)ccc2O1 ZINC001238889739 1043933482 /nfs/dbraw/zinc/93/34/82/1043933482.db2.gz YVMKHCBMKYKNKD-UHFFFAOYSA-N 0 0 360.479 2.893 20 10 FFCDRN C[C@]1(C[NH3+])CCCCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001238975461 1043971751 /nfs/dbraw/zinc/97/17/51/1043971751.db2.gz YQCNFXNWOWZVCJ-CQSZACIVSA-N 0 0 367.298 2.839 20 10 FFCDRN CN(CCC1CC[NH2+]CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001239085502 1044011384 /nfs/dbraw/zinc/01/13/84/1044011384.db2.gz WMRGIBYWCKPMOE-UHFFFAOYSA-N 0 0 367.298 2.709 20 10 FFCDRN COCCN(C)C(=O)C12CC([NH2+]Cc3cc(Cl)cc(Cl)c3[O-])(C1)C2 ZINC001279975824 1044018916 /nfs/dbraw/zinc/01/89/16/1044018916.db2.gz JGTQFXYMABGDNA-UHFFFAOYSA-N 0 0 373.280 2.816 20 10 FFCDRN COCCN(C)C(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC001279983699 1044035734 /nfs/dbraw/zinc/03/57/34/1044035734.db2.gz OLXHSOLXQOZAHQ-XLQHLMKVSA-N 0 0 366.889 2.655 20 10 FFCDRN CCN(C(=O)c1[nH]nc2c1CN(Cc1ccc(C)cc1O)CC2)C(C)C ZINC001280046062 1044132644 /nfs/dbraw/zinc/13/26/44/1044132644.db2.gz GNRFIBSSUYXTIN-UHFFFAOYSA-N 0 0 356.470 2.853 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)N[C@H]2C[C@H](OC)C23CCC3)cc1 ZINC001312835890 1044179111 /nfs/dbraw/zinc/17/91/11/1044179111.db2.gz LXSVUGKTOCIFBZ-ROUUACIJSA-N 0 0 361.486 2.730 20 10 FFCDRN COc1ccc(N2CCCN(c3nnc(C)n3CC(F)(F)F)CC2)cc1 ZINC001315515025 1044639060 /nfs/dbraw/zinc/63/90/60/1044639060.db2.gz CQWZIKTVBIXRRK-UHFFFAOYSA-N 0 0 369.391 2.874 20 10 FFCDRN Cc1cc(-c2nccn2C)c(-c2cnn(CCO[C@H]3CCCCO3)c2)nn1 ZINC001243864067 1045026948 /nfs/dbraw/zinc/02/69/48/1045026948.db2.gz NJQDAPONZUIBPM-KRWDZBQOSA-N 0 0 368.441 2.592 20 10 FFCDRN Cc1cc(C(=O)Nc2ncn(Cc3cccnc3)n2)c(C)n1-c1ccccn1 ZINC001318093126 1045211632 /nfs/dbraw/zinc/21/16/32/1045211632.db2.gz XMZAQPIIMXUBRC-UHFFFAOYSA-N 0 0 373.420 2.776 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NCc2cc(OCC(F)F)ccn2)cc1 ZINC001320020781 1045329837 /nfs/dbraw/zinc/32/98/37/1045329837.db2.gz MMPVOBZXBNYDFD-UHFFFAOYSA-N 0 0 364.396 2.791 20 10 FFCDRN O=C(c1ccccc1O)N1CCN(Cc2ccc(N3CCCC3)cc2)CC1 ZINC001323290840 1045534609 /nfs/dbraw/zinc/53/46/09/1045534609.db2.gz KNPFGPXSESQIMN-UHFFFAOYSA-N 0 0 365.477 2.950 20 10 FFCDRN Cc1coc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1C ZINC001323510564 1045618500 /nfs/dbraw/zinc/61/85/00/1045618500.db2.gz IHJNJNCUHNDRAJ-MRXNPFEDSA-N 0 0 355.438 2.528 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)N[C@H]1C[C@H]1c1ccccc1 ZINC001321657265 1045745067 /nfs/dbraw/zinc/74/50/67/1045745067.db2.gz MWNSIIMYQHRYKA-PMACEKPBSA-N 0 0 363.461 2.575 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3ccc(C(=O)OC)cc3)CC2)cc1 ZINC001324298015 1045959071 /nfs/dbraw/zinc/95/90/71/1045959071.db2.gz MPGCWBWNRMMUQV-UHFFFAOYSA-N 0 0 368.433 2.834 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cnc(C4CC4)nc3)CC2)cc1 ZINC001324417698 1046016221 /nfs/dbraw/zinc/01/62/21/1046016221.db2.gz OLFFZRMZNUHLJS-UHFFFAOYSA-N 0 0 352.438 2.715 20 10 FFCDRN COC(=O)[C@@H](CF)NC(=O)c1cc(-n2c(C)ccc2C)ccc1Cl ZINC001324769168 1046216361 /nfs/dbraw/zinc/21/63/61/1046216361.db2.gz YLUFARHSZBDYEU-OAHLLOKOSA-N 0 0 352.793 2.988 20 10 FFCDRN CC1(C)C[C@H]1CNC(=O)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001322788098 1046224828 /nfs/dbraw/zinc/22/48/28/1046224828.db2.gz PYZSPNOZEZUGMS-HNNXBMFYSA-N 0 0 356.422 2.676 20 10 FFCDRN CN(C(=O)C(=O)NCCCSc1nccs1)[C@@H]1CCC(C)(C)C1 ZINC001323025913 1046311601 /nfs/dbraw/zinc/31/16/01/1046311601.db2.gz JOYCSNPOBNFRER-GFCCVEGCSA-N 0 0 355.529 2.779 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCNc2ccccc2[N+](=O)[O-])c1 ZINC000728979616 1046628427 /nfs/dbraw/zinc/62/84/27/1046628427.db2.gz JLKFJIJVFBTLRW-GFCCVEGCSA-N 0 0 359.382 2.988 20 10 FFCDRN O=C(N[C@@H]1CCC[C@@H](F)C1)C(=O)N(Cc1ccco1)Cc1ccccc1O ZINC001326451274 1046937744 /nfs/dbraw/zinc/93/77/44/1046937744.db2.gz NTTGNIAWKBFYBV-HZPDHXFCSA-N 0 0 374.412 2.911 20 10 FFCDRN CCOC(=O)c1cnccc1N1CCCN(c2ccc(OC)cc2)CC1 ZINC001326879201 1047120322 /nfs/dbraw/zinc/12/03/22/1047120322.db2.gz GXGLOCIEAUQQHW-UHFFFAOYSA-N 0 0 355.438 2.984 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)C(=O)N[C@@H]2CCC(F)(F)C2)C2CC2)cc1 ZINC001326917347 1047133663 /nfs/dbraw/zinc/13/36/63/1047133663.db2.gz SPAVCLFSKBQBSV-CQSZACIVSA-N 0 0 365.424 2.548 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1cccc2cc[nH]c21)c1ccc(N(C)C)cc1 ZINC001326994856 1047155481 /nfs/dbraw/zinc/15/54/81/1047155481.db2.gz ZBRKGPFRYPQZSK-AWEZNQCLSA-N 0 0 364.449 2.728 20 10 FFCDRN Cn1c(CC(=O)Nc2c3nonc3ccc2Cl)nnc1-c1ccccc1 ZINC001327167590 1047217483 /nfs/dbraw/zinc/21/74/83/1047217483.db2.gz RYMFMNLADMQEIL-UHFFFAOYSA-N 0 0 368.784 2.853 20 10 FFCDRN Cc1c(Br)c[nH]c(=O)c1C(=O)NCc1ccc(N(C)C)cc1 ZINC001540494630 1070907628 /nfs/dbraw/zinc/90/76/28/1070907628.db2.gz YWMADGVZODOOHX-UHFFFAOYSA-N 0 0 364.243 2.854 20 10 FFCDRN 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356.374 2.952 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2ocnc2C(F)(F)F)n1C ZINC001338135806 1055259153 /nfs/dbraw/zinc/25/91/53/1055259153.db2.gz GQHSJFDUBHFJRG-UHFFFAOYSA-N 0 0 353.304 2.831 20 10 FFCDRN CC(C)[C@](C)(CNC(=O)OC(C)(C)C)NC(=O)Cc1ccc(O)c(O)c1 ZINC001543802967 1071548521 /nfs/dbraw/zinc/54/85/21/1071548521.db2.gz FJEZCVPREGZEAF-IBGZPJMESA-N 0 0 366.458 2.696 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N(C)[C@H](C)c3nc(C)no3)C2)cc1 ZINC000847386947 1055671298 /nfs/dbraw/zinc/67/12/98/1055671298.db2.gz JLXQGRLTSMZARU-HIFRSBDPSA-N 0 0 373.457 2.616 20 10 FFCDRN CCN1CCc2ccc(NC(=O)C(=O)NCc3cccc(Cl)c3O)cc21 ZINC001338709035 1055749677 /nfs/dbraw/zinc/74/96/77/1055749677.db2.gz MIEGAGWASFKPPJ-UHFFFAOYSA-N 0 0 373.840 2.683 20 10 FFCDRN Cn1cnnc1[C@@H]1CCCN1c1nnc(C2SC=CC2=O)n1CC1CC1 ZINC001350547996 1055827594 /nfs/dbraw/zinc/82/75/94/1055827594.db2.gz RMKGQONRKNJBRE-LBPRGKRZSA-N 0 0 371.470 2.592 20 10 FFCDRN CO[C@]1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCSC1 ZINC001350628708 1055870848 /nfs/dbraw/zinc/87/08/48/1055870848.db2.gz LAUIWVPQXXVQSY-HXUWFJFHSA-N 0 0 367.426 2.923 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(C2CCOCC2)n1C[C@H]1CCOC1 ZINC001352895957 1055907147 /nfs/dbraw/zinc/90/71/47/1055907147.db2.gz WFBLZORRLAVTCH-OAHLLOKOSA-N 0 0 372.469 2.551 20 10 FFCDRN CCOCCCn1c(C2SC=CC2=O)nnc1N1C[C@H]2CC[C@@H](C1)O2 ZINC001357462745 1055909958 /nfs/dbraw/zinc/90/99/58/1055909958.db2.gz BVPKDHAQHYPFAC-BETUJISGSA-N 0 0 364.471 2.506 20 10 FFCDRN Nc1ccc(CNC(=O)N2CCC(O)(Cc3ccccc3F)CC2)cc1 ZINC001357790648 1056014184 /nfs/dbraw/zinc/01/41/84/1056014184.db2.gz FNZOMUUSWYSFJV-UHFFFAOYSA-N 0 0 357.429 2.687 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cn(C(C)C)nc3C)CC2)cc1F ZINC000847556979 1056047358 /nfs/dbraw/zinc/04/73/58/1056047358.db2.gz NBQVPJIUTSEZLC-UHFFFAOYSA-N 0 0 360.433 2.883 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001351035961 1056051345 /nfs/dbraw/zinc/05/13/45/1056051345.db2.gz XFVVDQFQLWTAGR-VHDGCEQUSA-N 0 0 367.392 2.965 20 10 FFCDRN C[C@H](O)Cc1nnc(N(C)Cc2ccccc2O)n1CCc1ccccc1 ZINC001358015446 1056100980 /nfs/dbraw/zinc/10/09/80/1056100980.db2.gz CDRCRRADOSMSMI-INIZCTEOSA-N 0 0 366.465 2.786 20 10 FFCDRN CCN1C[C@@H](c2nnc(N(C)Cc3ccccc3O)n2CC(C)C)CC1=O ZINC001358038235 1056113192 /nfs/dbraw/zinc/11/31/92/1056113192.db2.gz YAVHDAKWSHUDNP-INIZCTEOSA-N 0 0 371.485 2.612 20 10 FFCDRN Cn1c(C2Sc3ncccc3C2=O)nnc1N1C[C@@H]2CSC[C@@H]2C1 ZINC001351382837 1056235765 /nfs/dbraw/zinc/23/57/65/1056235765.db2.gz IKJHRDGAXMYWTD-AOOOYVTPSA-N 0 0 359.480 2.597 20 10 FFCDRN COc1ccc(N(C)CCN(C)c2nnc([C@@H](O)C3CCCC3)n2C)cc1 ZINC001339344664 1056351670 /nfs/dbraw/zinc/35/16/70/1056351670.db2.gz CSULALJPMQJYQL-SFHVURJKSA-N 0 0 373.501 2.620 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)OC[C@H]3CCN(C)C3=O)ccc21 ZINC000847789982 1056627982 /nfs/dbraw/zinc/62/79/82/1056627982.db2.gz DJQOTNAHLXFCIM-MRXNPFEDSA-N 0 0 358.438 2.540 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)OC[C@H]3CCN(C)C3=O)c2C)cc1 ZINC000847791569 1056628326 /nfs/dbraw/zinc/62/83/26/1056628326.db2.gz ZUFDCGRVYROXHO-OAHLLOKOSA-N 0 0 356.422 2.738 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)COC(=O)c2ncc(Cl)s2)cc1 ZINC001339688077 1056710070 /nfs/dbraw/zinc/71/00/70/1056710070.db2.gz HPHOSJJZJSQCFI-UHFFFAOYSA-N 0 0 367.858 2.678 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001544643266 1071672527 /nfs/dbraw/zinc/67/25/27/1071672527.db2.gz ANAHNKDKEXKMSB-KRWDZBQOSA-N 0 0 359.397 2.987 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)c2cc(C(=O)OC)ccn2)cc1F ZINC001443772183 1058241530 /nfs/dbraw/zinc/24/15/30/1058241530.db2.gz PFFUUTIBSBMHKC-UHFFFAOYSA-N 0 0 359.401 2.784 20 10 FFCDRN Cc1nc(NC(=O)c2cc3cc(O)c(O)cc3s2)n(-c2ccccc2)n1 ZINC001445270738 1058385256 /nfs/dbraw/zinc/38/52/56/1058385256.db2.gz HMKCDRHMSCQPIQ-UHFFFAOYSA-N 0 0 366.402 2.876 20 10 FFCDRN COc1ccc(N2CC[C@H](COC(=O)[C@H]3Cc4cccnc4C3)C2)cc1 ZINC001519117113 1058636828 /nfs/dbraw/zinc/63/68/28/1058636828.db2.gz OUWCGHTWNZPCTC-RDJZCZTQSA-N 0 0 352.434 2.875 20 10 FFCDRN CCN(C)C(=O)Cn1c(C2CCCC2)nnc1N(C)Cc1ccccc1O ZINC001501416154 1058662350 /nfs/dbraw/zinc/66/23/50/1058662350.db2.gz CJRDDQKIKYGOKW-UHFFFAOYSA-N 0 0 371.485 2.756 20 10 FFCDRN COc1ccc(CNC(=O)CCN(C(=O)OC(C)(C)C)C2CC2)c(O)c1 ZINC000848022490 1058723229 /nfs/dbraw/zinc/72/32/29/1058723229.db2.gz BKQVEBUUEKRXGZ-UHFFFAOYSA-N 0 0 364.442 2.807 20 10 FFCDRN CCOCc1nnc(N(C)Cc2ccccc2O)n1C[C@@H](OC)C1CC1 ZINC001503018520 1058930053 /nfs/dbraw/zinc/93/00/53/1058930053.db2.gz VGNURCVTRCYJEL-QGZVFWFLSA-N 0 0 360.458 2.582 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2cnn(C)c2)n1Cc1ccoc1 ZINC001503487014 1059035119 /nfs/dbraw/zinc/03/51/19/1059035119.db2.gz DDWOUNAGZJINRM-UHFFFAOYSA-N 0 0 364.409 2.662 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCCC(F)(F)C2)n1C[C@@H]1CCOC1 ZINC001519779858 1059060837 /nfs/dbraw/zinc/06/08/37/1059060837.db2.gz CECJVZDFGXFXJF-NSHDSACASA-N 0 0 370.425 2.984 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3[nH]nc(C(F)(F)F)c3C)C2)cc1 ZINC001300634567 1059101576 /nfs/dbraw/zinc/10/15/76/1059101576.db2.gz YUVQGZRNYHFJQO-NSHDSACASA-N 0 0 368.359 2.754 20 10 FFCDRN CO[C@@H]1CN(c2nnc(C)n2Cc2ccc(N(C)C)cc2C)CC1(C)C ZINC001504499410 1059193955 /nfs/dbraw/zinc/19/39/55/1059193955.db2.gz PFXSYGSIERDZAX-GOSISDBHSA-N 0 0 357.502 2.870 20 10 FFCDRN Oc1ccc(O)c(CNc2ncnc3c2cnn3-c2ccccc2F)c1 ZINC001472869165 1059612532 /nfs/dbraw/zinc/61/25/32/1059612532.db2.gz PATQPTCIDFEZSY-UHFFFAOYSA-N 0 0 351.341 2.978 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)NCC1(c2cccc(F)c2)CCC1 ZINC001354927985 1059656838 /nfs/dbraw/zinc/65/68/38/1059656838.db2.gz IPKBSYQMNDYMNR-UHFFFAOYSA-N 0 0 370.424 2.728 20 10 FFCDRN O=C(NCc1cc(O)ccc1O)C1(Cc2cccc(F)c2)CCOCC1 ZINC001455354502 1059768899 /nfs/dbraw/zinc/76/88/99/1059768899.db2.gz NWPJFQXIRMFMLB-UHFFFAOYSA-N 0 0 359.397 2.893 20 10 FFCDRN CC(C)Cc1nnc(N(C)Cc2ccccc2O)n1CC[C@@H]1COCCO1 ZINC001509138226 1060009516 /nfs/dbraw/zinc/00/95/16/1060009516.db2.gz NBBPXDQZKGOBBV-QGZVFWFLSA-N 0 0 374.485 2.624 20 10 FFCDRN O=C(NCc1c(O)cccc1O)c1cc([N+](=O)[O-])ccc1OC(F)F ZINC001456238061 1060066151 /nfs/dbraw/zinc/06/61/51/1060066151.db2.gz XQEJWLPHOBLJFU-UHFFFAOYSA-N 0 0 354.265 2.537 20 10 FFCDRN Cn1nc(C(=O)NCc2c(O)ccc3ccccc32)c2ccccc2c1=O ZINC001456312422 1060083746 /nfs/dbraw/zinc/08/37/46/1060083746.db2.gz SFKGSJVGJPQFJE-UHFFFAOYSA-N 0 0 359.385 2.722 20 10 FFCDRN O=C(NCc1c(O)ccc2ccccc21)[C@@H]1CC[C@@H](C(F)(F)F)NC1=O ZINC001456308772 1060085520 /nfs/dbraw/zinc/08/55/20/1060085520.db2.gz FYXWEPNSFRFSDJ-WFASDCNBSA-N 0 0 366.339 2.619 20 10 FFCDRN COCCn1c(-c2cc(C)cc(C)n2)nnc1N(C)Cc1ccccc1O ZINC001355338987 1060149086 /nfs/dbraw/zinc/14/90/86/1060149086.db2.gz LMNWXBAIIYNYRA-UHFFFAOYSA-N 0 0 367.453 2.945 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCc3ccccc3NC2=O)c1 ZINC000848558046 1060272892 /nfs/dbraw/zinc/27/28/92/1060272892.db2.gz JGNPFJMLNQVFJH-SJKOYZFVSA-N 0 0 354.406 2.783 20 10 FFCDRN CCOC(=O)Cc1cccc(N(C)C(=O)c2c[nH]nc2-c2cccnc2)c1 ZINC001457106906 1060280332 /nfs/dbraw/zinc/28/03/32/1060280332.db2.gz DIUQVQBIUHARLG-UHFFFAOYSA-N 0 0 364.405 2.854 20 10 FFCDRN COCCn1c(-c2oc(C)nc2C)nnc1N(C)Cc1ccccc1O ZINC001355520493 1060320552 /nfs/dbraw/zinc/32/05/52/1060320552.db2.gz NCGZPLACSNPTHO-UHFFFAOYSA-N 0 0 357.414 2.538 20 10 FFCDRN Cn1ccnc1[C@H](NC(=O)c1ccc(N=NC(N)=O)cc1)C(F)(F)F ZINC001457391488 1060360054 /nfs/dbraw/zinc/36/00/54/1060360054.db2.gz WPOIFUZVICKHLD-JTQLQIEISA-N 0 0 354.292 2.616 20 10 FFCDRN Cc1nnc(N(C)CC2CCOCC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001511791674 1060411676 /nfs/dbraw/zinc/41/16/76/1060411676.db2.gz ZUPHYRPQGRYFFS-UHFFFAOYSA-N 0 0 361.465 2.703 20 10 FFCDRN Cc1nnc(N2CCC[C@@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001511860043 1060446263 /nfs/dbraw/zinc/44/62/63/1060446263.db2.gz FFALFWMQHNXTCL-OAHLLOKOSA-N 0 0 373.476 2.847 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc(OC)nc3Cl)CC2)cc1 ZINC001458046453 1060500883 /nfs/dbraw/zinc/50/08/83/1060500883.db2.gz VZIZWADVOULFHU-UHFFFAOYSA-N 0 0 361.829 2.715 20 10 FFCDRN COC(=O)C1CCN(c2nnc(C3SC=CC3=O)n2CC2CC2)CC1 ZINC001527163880 1061409993 /nfs/dbraw/zinc/40/99/93/1061409993.db2.gz HXPWYIDFJTWESZ-UHFFFAOYSA-N 0 0 362.455 2.512 20 10 FFCDRN O=C(NC[C@H](CO)CC1CC1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001476768584 1061475735 /nfs/dbraw/zinc/47/57/35/1061475735.db2.gz LMOBYYBTPKRXNJ-OAHLLOKOSA-N 0 0 365.437 2.926 20 10 FFCDRN CCOCCOCC[N@H+](C)Cc1c2cc(F)ccc2n(C)c1C(=O)OC ZINC001462101921 1061504137 /nfs/dbraw/zinc/50/41/37/1061504137.db2.gz FRHPTGVISFYJBU-UHFFFAOYSA-N 0 0 366.433 2.589 20 10 FFCDRN COC(=O)c1sccc1C(=O)NC1CCN(c2ccc(OC)cc2)CC1 ZINC001527647558 1061565196 /nfs/dbraw/zinc/56/51/96/1061565196.db2.gz VDWRHTRMFOCESA-UHFFFAOYSA-N 0 0 374.462 2.942 20 10 FFCDRN CC(C)CC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)Cc1ccc(O)c(O)c1 ZINC001528094197 1061747885 /nfs/dbraw/zinc/74/78/85/1061747885.db2.gz FZZWDIZCKTZUJH-GDBMZVCRSA-N 0 0 362.470 2.572 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)NC[C@]3(C)CC3(C)C)CC2)cc1 ZINC001477653583 1061764280 /nfs/dbraw/zinc/76/42/80/1061764280.db2.gz QSARFWQQZVPNNE-NRFANRHFSA-N 0 0 374.529 2.553 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)NCCN1CCOC(C)(C)C1 ZINC001477689169 1061773532 /nfs/dbraw/zinc/77/35/32/1061773532.db2.gz NMSNDCHGQMPDKA-UHFFFAOYSA-N 0 0 374.529 2.539 20 10 FFCDRN COC(=O)/C=C/c1ccc(OCCOC(=O)c2ccc(C)c(O)c2O)cc1 ZINC000767524555 1061778234 /nfs/dbraw/zinc/77/82/34/1061778234.db2.gz PHWNQPBQQYTJAR-UXBLZVDNSA-N 0 0 372.373 2.828 20 10 FFCDRN Cc1c(-c2cc(COC(=O)/C=C/c3ccc(O)c(O)c3)on2)cnn1C ZINC000767573888 1061781402 /nfs/dbraw/zinc/78/14/02/1061781402.db2.gz FASBRLDGQCXFOA-GQCTYLIASA-N 0 0 355.350 2.551 20 10 FFCDRN Cc1ncccc1/C=C/C(=O)N1CCOc2ncc(Br)cc21 ZINC001528421923 1061901329 /nfs/dbraw/zinc/90/13/29/1061901329.db2.gz STRIYWKJSVSNRQ-SNAWJCMRSA-N 0 0 360.211 2.986 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(Cn2cncn2)cc1)c1ccccc1O ZINC001478739758 1062098648 /nfs/dbraw/zinc/09/86/48/1062098648.db2.gz AJOIITNXNQWGQD-CQSZACIVSA-N 0 0 351.410 2.592 20 10 FFCDRN CCON(CC)C(=O)CNC(=O)NCc1cc(C)n(-c2ccccc2)c1C ZINC001478980385 1062169409 /nfs/dbraw/zinc/16/94/09/1062169409.db2.gz QHMBNILAMGQGSW-UHFFFAOYSA-N 0 0 372.469 2.693 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC001479067494 1062212058 /nfs/dbraw/zinc/21/20/58/1062212058.db2.gz IYNWTGCIMBKZHY-GFCCVEGCSA-N 0 0 369.849 2.854 20 10 FFCDRN COc1ccc(N(C)CCN(C)S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC001464009768 1062379084 /nfs/dbraw/zinc/37/90/84/1062379084.db2.gz LENIOWZMVZIIQT-UHFFFAOYSA-N 0 0 366.458 2.900 20 10 FFCDRN CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2C(=O)OC)sc2c1CC[C@H](C)C2 ZINC001529701742 1062381193 /nfs/dbraw/zinc/38/11/93/1062381193.db2.gz MXICPDVXTFCCDA-ZMLRMANQSA-N 0 0 365.451 2.797 20 10 FFCDRN CCOC(=O)c1cc(S(=O)(=O)NCc2cc(C)ccc2O)ccc1C ZINC001464107751 1062428288 /nfs/dbraw/zinc/42/82/88/1062428288.db2.gz FMUHBCQLEMDIAT-UHFFFAOYSA-N 0 0 363.435 2.664 20 10 FFCDRN C[C@H](O)c1ncc(C(=O)NCc2ccc(N3CCSCC3)cc2)s1 ZINC001464263468 1062512630 /nfs/dbraw/zinc/51/26/30/1062512630.db2.gz VVHFEEBTVWXSTD-LBPRGKRZSA-N 0 0 363.508 2.680 20 10 FFCDRN CC(=O)N1CCC[C@@H]1c1nnc(N(C)Cc2ccccc2O)n1CC(C)C ZINC001524814547 1062999679 /nfs/dbraw/zinc/99/96/79/1062999679.db2.gz VSPDDDRWMIAGHX-QGZVFWFLSA-N 0 0 371.485 2.960 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCc1nc(-c2cccc(Cl)c2)no1 ZINC001465238447 1063021186 /nfs/dbraw/zinc/02/11/86/1063021186.db2.gz DZVZEXGKRPCRMO-UHFFFAOYSA-N 0 0 359.769 2.660 20 10 FFCDRN CCc1nnc(N2CC[C@@H](C)[C@H]2C)n1Cc1ccc(N2CCOCC2)cc1 ZINC001546464103 1063196252 /nfs/dbraw/zinc/19/62/52/1063196252.db2.gz IZZGOJZHJGWLJG-IAGOWNOFSA-N 0 0 369.513 2.960 20 10 FFCDRN CCc1nnc(N2CC[C@H](C)C2)n1Cc1ccc(N2CCOCC2)c(F)c1 ZINC001546464832 1063214698 /nfs/dbraw/zinc/21/46/98/1063214698.db2.gz VOKWVYBCESAYQW-HNNXBMFYSA-N 0 0 373.476 2.711 20 10 FFCDRN O=C(NCCNC(=O)c1cc2cc(O)c(O)cc2s1)c1cccs1 ZINC001466101821 1063326716 /nfs/dbraw/zinc/32/67/16/1063326716.db2.gz RWJZZQPIGJMTSG-UHFFFAOYSA-N 0 0 362.432 2.534 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)CCCCN1CCOCC1 ZINC001440715760 1063346482 /nfs/dbraw/zinc/34/64/82/1063346482.db2.gz RYKGULXDYWVOHD-UHFFFAOYSA-N 0 0 359.514 2.748 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)C[C@@H]1CC(C)(C)CO1 ZINC001466398759 1063422031 /nfs/dbraw/zinc/42/20/31/1063422031.db2.gz RPEOLQAIBOUNNR-CQSZACIVSA-N 0 0 369.845 2.752 20 10 FFCDRN CC(C)(CNC(=O)Cc1ccc(O)c(O)c1)c1ccc2c(c1)OCCO2 ZINC001442401573 1063531698 /nfs/dbraw/zinc/53/16/98/1063531698.db2.gz IHPUUKRRYVEWAQ-UHFFFAOYSA-N 0 0 357.406 2.506 20 10 FFCDRN CNC(=O)N[C@@H]1CCN(C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1 ZINC001466739116 1063540131 /nfs/dbraw/zinc/54/01/31/1063540131.db2.gz QOJDHDZNHVQQHD-QGZVFWFLSA-N 0 0 368.481 2.854 20 10 FFCDRN Cc1nccn1CCNC(=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC001466893658 1063585973 /nfs/dbraw/zinc/58/59/73/1063585973.db2.gz AUWQKLWZPXSMHV-UHFFFAOYSA-N 0 0 361.409 2.723 20 10 FFCDRN CCOC(=O)c1nc2ccccn2c1NC(=O)NCc1c(O)cccc1F ZINC001466897039 1063587853 /nfs/dbraw/zinc/58/78/53/1063587853.db2.gz CQEJQFCNJAJUHV-UHFFFAOYSA-N 0 0 372.356 2.677 20 10 FFCDRN CCc1nc(C)ncc1C(=O)NCc1cccc(Br)c1O ZINC001467760537 1063841884 /nfs/dbraw/zinc/84/18/84/1063841884.db2.gz GHXWZRILTAQZJI-UHFFFAOYSA-N 0 0 350.216 2.746 20 10 FFCDRN CCNC(=O)c1cccc(CNC(=O)NCc2cccc(Cl)c2O)c1 ZINC001467857076 1063868510 /nfs/dbraw/zinc/86/85/10/1063868510.db2.gz UZZOZQPMRYFIBH-UHFFFAOYSA-N 0 0 361.829 2.795 20 10 FFCDRN C[C@@H]1CN(C(C)(C)CNC(=O)NCc2cccc(Cl)c2O)C[C@H](C)O1 ZINC001467898376 1063878682 /nfs/dbraw/zinc/87/86/82/1063878682.db2.gz NNIUWOYLMUXACK-BETUJISGSA-N 0 0 369.893 2.733 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cncc2ncn(C)c21 ZINC001469104133 1064092585 /nfs/dbraw/zinc/09/25/85/1064092585.db2.gz MQIGTDXDNJNXEH-CQSZACIVSA-N 0 0 351.454 2.704 20 10 FFCDRN O=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1cc(Cl)ccc1O ZINC001469876004 1064222656 /nfs/dbraw/zinc/22/26/56/1064222656.db2.gz ABRVFXWKJRUZGZ-UHFFFAOYSA-N 0 0 369.808 2.586 20 10 FFCDRN Cc1cc(C(=O)N2C[C@@H](O)C[C@]2(C)CO)c(C)n1-c1ccc(Cl)cc1 ZINC001470304502 1064300101 /nfs/dbraw/zinc/30/01/01/1064300101.db2.gz VERJFMKWTPIHOY-QFBILLFUSA-N 0 0 362.857 2.705 20 10 FFCDRN Cc1cc(C(=O)NCc2nc(O)cc(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC001470582853 1064372364 /nfs/dbraw/zinc/37/23/64/1064372364.db2.gz FCQYNXZWFDVBMI-UHFFFAOYSA-N 0 0 372.812 2.879 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N3C[C@@H](OC)C[C@]3(C)CO)c2C)cc1 ZINC001471080221 1064552410 /nfs/dbraw/zinc/55/24/10/1064552410.db2.gz AUQKGVJKGIKDQN-GHTZIAJQSA-N 0 0 372.465 2.715 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)NCc2ncc(Br)s2)c1 ZINC001471157174 1064583480 /nfs/dbraw/zinc/58/34/80/1064583480.db2.gz OKYOISJBIWBZTI-UHFFFAOYSA-N 0 0 356.245 2.919 20 10 FFCDRN Cc1cc(C(=O)NC2CN(c3ccncn3)C2)c(C)n1-c1ccccc1C ZINC001471308955 1064635163 /nfs/dbraw/zinc/63/51/63/1064635163.db2.gz VZWGIJLJDSNNCC-UHFFFAOYSA-N 0 0 361.449 2.811 20 10 FFCDRN Cc1ccc(C2N=NC(=S)N2CC(=O)N2Cc3cccc(O)c3C2)cc1 ZINC001471355805 1064652177 /nfs/dbraw/zinc/65/21/77/1064652177.db2.gz VWIRSXOKNYGOAD-UHFFFAOYSA-N 0 0 366.446 2.790 20 10 FFCDRN O=C(NCc1c(O)cccc1F)[C@@]12CCC(=O)N1c1ccccc1S2 ZINC001471975420 1064876119 /nfs/dbraw/zinc/87/61/19/1064876119.db2.gz ZHNQKYDFTFOHPW-SFHVURJKSA-N 0 0 358.394 2.777 20 10 FFCDRN C[C@@]12CCC(=O)N1[C@@H](C(=O)NCc1c(O)ccc3ccccc31)CS2 ZINC001472085947 1064925644 /nfs/dbraw/zinc/92/56/44/1064925644.db2.gz FQHINWIYOWHKRW-DNVCBOLYSA-N 0 0 356.447 2.616 20 10 FFCDRN Cn1ccnc1[C@H](NC(=O)c1cccc(O)c1O)c1ccc(F)cc1F ZINC001472277762 1064996721 /nfs/dbraw/zinc/99/67/21/1064996721.db2.gz RACPIGFKEQPLFF-OAHLLOKOSA-N 0 0 359.332 2.629 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1NC(=O)C[C@@H]1c1ccccc1 ZINC001472466213 1065073599 /nfs/dbraw/zinc/07/35/99/1065073599.db2.gz WXDZRAWJWNSBNH-GFCCVEGCSA-N 0 0 354.387 2.931 20 10 FFCDRN CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@H]2CN3C(=O)OC(C)(C)C)c1O ZINC001473697527 1065321500 /nfs/dbraw/zinc/32/15/00/1065321500.db2.gz FBYZLBYPZHLXMN-GJZGRUSLSA-N 0 0 364.417 2.928 20 10 FFCDRN Cc1nc([C@H]2CCCN2CC(=O)NCc2ccc(N(C)C)cc2)[nH]c1C ZINC001473790585 1065363591 /nfs/dbraw/zinc/36/35/91/1065363591.db2.gz LGTQIHYSDDPZNJ-GOSISDBHSA-N 0 0 355.486 2.546 20 10 FFCDRN CNS(=O)(=O)Cc1ccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])cc1 ZINC001473951444 1065425491 /nfs/dbraw/zinc/42/54/91/1065425491.db2.gz FTINCTXVHGYWJC-UHFFFAOYSA-N 0 0 372.849 2.524 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNc1cnn(CCN2CCOCC2)c1 ZINC001474071684 1065451503 /nfs/dbraw/zinc/45/15/03/1065451503.db2.gz ZWTGAIXQJXNKEQ-UHFFFAOYSA-N 0 0 353.470 2.628 20 10 FFCDRN COC(=O)c1nc([C@@H]2CCCN2C(=O)Cc2ccc(N)cc2)sc1C ZINC001578884965 1078539951 /nfs/dbraw/zinc/53/99/51/1078539951.db2.gz HNXHBRAHRLLNFH-AWEZNQCLSA-N 0 0 359.451 2.727 20 10 FFCDRN COc1cc(-c2nn[nH]n2)ccc1NC(=O)NCc1cc(Cl)ccc1O ZINC001579886113 1078708316 /nfs/dbraw/zinc/70/83/16/1078708316.db2.gz HHUBJAPEIJAJQP-UHFFFAOYSA-N 0 0 374.788 2.556 20 10 FFCDRN CO[C@@H]1CCN(c2nnc(CC3CC3)n2Cc2ccc(N(C)C)cc2C)C1 ZINC001555775726 1075681834 /nfs/dbraw/zinc/68/18/34/1075681834.db2.gz PGWXYEXLQKIBIM-LJQANCHMSA-N 0 0 369.513 2.878 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccccc1N=S(C)(C)=O ZINC001556158208 1075710225 /nfs/dbraw/zinc/71/02/25/1075710225.db2.gz UXFBGRDLYMBQFW-GFCCVEGCSA-N 0 0 362.451 2.818 20 10 FFCDRN C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)c2cccc(O)c2O)C1=O ZINC001556730235 1075769488 /nfs/dbraw/zinc/76/94/88/1075769488.db2.gz JCARRLFWGXVTQE-WBMJQRKESA-N 0 0 372.396 2.719 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N(Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC001557183812 1075819162 /nfs/dbraw/zinc/81/91/62/1075819162.db2.gz YDFFEIIBYYXDJU-SFHVURJKSA-N 0 0 355.434 2.830 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H](Cc1ccccc1)c1ncon1 ZINC001557271939 1075831618 /nfs/dbraw/zinc/83/16/18/1075831618.db2.gz VOMLCCVQDBQIQN-LOWQCSRCSA-N 0 0 351.362 2.594 20 10 FFCDRN Cc1cc(CC(=O)N2[C@H](C)C(=O)N[C@H](C)[C@H]2C)c(C)n1-c1ccccc1 ZINC001557312699 1075837286 /nfs/dbraw/zinc/83/72/86/1075837286.db2.gz DPIIIQQZNVAOJI-BFYDXBDKSA-N 0 0 353.466 2.761 20 10 FFCDRN Cn1nc(C2CCOCC2)cc1NC(=O)c1ccc(N=NC(N)=O)cc1 ZINC001557838627 1075897084 /nfs/dbraw/zinc/89/70/84/1075897084.db2.gz YRBXULQPYWBXES-UHFFFAOYSA-N 0 0 356.386 2.729 20 10 FFCDRN CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)c1ccccc1O ZINC001557967869 1075919188 /nfs/dbraw/zinc/91/91/88/1075919188.db2.gz NEPSRGDPLSAXIQ-DJJJIMSYSA-N 0 0 365.433 2.798 20 10 FFCDRN Cc1c(C(=O)NCc2c(O)cccc2F)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-] ZINC001558454680 1076009246 /nfs/dbraw/zinc/00/92/46/1076009246.db2.gz JJPQNTRCKADBJH-UHFFFAOYSA-N 0 0 363.301 2.895 20 10 FFCDRN COc1ccc(CN2CC[C@H]2C(=O)NCc2ccc(N(C)C)cc2C)cc1 ZINC001585786874 1079500575 /nfs/dbraw/zinc/50/05/75/1079500575.db2.gz IFLNPCFOCHRGMG-NRFANRHFSA-N 0 0 367.493 2.960 20 10 FFCDRN COC(=O)CN(CCCOC(F)(F)F)Cc1cc(Cl)ccc1O ZINC001559607220 1076176804 /nfs/dbraw/zinc/17/68/04/1076176804.db2.gz DVEYKQJLDKRCBN-UHFFFAOYSA-N 0 0 355.740 2.947 20 10 FFCDRN C[C@@H](NS(=O)(=O)C[C@H]1CCC[C@@H](C(F)(F)F)O1)c1ccccc1O ZINC001561837860 1076431677 /nfs/dbraw/zinc/43/16/77/1076431677.db2.gz FAEYWSWTBPANOG-GYSYKLTISA-N 0 0 367.389 2.873 20 10 FFCDRN Cc1c(Cl)cc(S(=O)(=O)N2Cc3cccc(O)c3C2)cc1[N+](=O)[O-] ZINC001561857527 1076434727 /nfs/dbraw/zinc/43/47/27/1076434727.db2.gz WTZHMQGBZSZHNC-UHFFFAOYSA-N 0 0 368.798 2.967 20 10 FFCDRN CNC(=O)c1ccc(NC(=O)NCc2c(O)cccc2F)cc1Cl ZINC001562239184 1076484001 /nfs/dbraw/zinc/48/40/01/1076484001.db2.gz OALPVVHZZUKPPS-UHFFFAOYSA-N 0 0 351.765 2.866 20 10 FFCDRN C[C@@H](NC(=O)Nc1ccccc1-c1nnnn1C)c1ccc(N(C)C)cc1 ZINC001563199823 1076528452 /nfs/dbraw/zinc/52/84/52/1076528452.db2.gz USQOELVAVNPVJZ-CYBMUJFWSA-N 0 0 365.441 2.826 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)NCC3=CCCCC3)CC2)cc1 ZINC001563810187 1076584538 /nfs/dbraw/zinc/58/45/38/1076584538.db2.gz AWVNVWHKOLATCW-UHFFFAOYSA-N 0 0 372.513 2.617 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)c2nc(C(F)(F)F)no2)c1 ZINC001565487247 1076735615 /nfs/dbraw/zinc/73/56/15/1076735615.db2.gz JXNWGAHFOXKTNR-JGVFFNPUSA-N 0 0 374.319 2.924 20 10 FFCDRN COc1cccc(CNC(=O)c2ccn(CCc3ccccc3)n2)c1O ZINC001566373877 1076952753 /nfs/dbraw/zinc/95/27/53/1076952753.db2.gz KCONKWVVNFCBPR-UHFFFAOYSA-N 0 0 351.406 2.770 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc2occc2[nH]1 ZINC001566849280 1076985298 /nfs/dbraw/zinc/98/52/98/1076985298.db2.gz IVNUTGZMYDCECL-UHFFFAOYSA-N 0 0 362.769 2.935 20 10 FFCDRN Cn1nccc1C1=CCN(C(=O)c2cc3cc(O)c(O)cc3s2)CC1 ZINC001568895342 1077117037 /nfs/dbraw/zinc/11/70/37/1077117037.db2.gz SFPQHVLEGMVIHJ-UHFFFAOYSA-N 0 0 355.419 2.976 20 10 FFCDRN COC(=O)c1c(C[N@@H+]2C[C@H](C)C[C@@H](C(=O)[O-])C2)c2cc(F)ccc2n1C ZINC001574082055 1077891949 /nfs/dbraw/zinc/89/19/49/1077891949.db2.gz SZCNEVXJANLKHE-VXGBXAGGSA-N 0 0 362.401 2.647 20 10 FFCDRN COc1ccc(N2CC[C@@H](NC(=O)c3cnn(-c4ccccc4)c3)C2)cc1 ZINC001585989232 1079521674 /nfs/dbraw/zinc/52/16/74/1079521674.db2.gz SOWLHCWPMVGNCU-QGZVFWFLSA-N 0 0 362.433 2.890 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)c3cnn(-c4ccccc4)c3)C2)cc1 ZINC001585989231 1079521824 /nfs/dbraw/zinc/52/18/24/1079521824.db2.gz SOWLHCWPMVGNCU-KRWDZBQOSA-N 0 0 362.433 2.890 20 10 FFCDRN CCCC[C@@H](O)CCC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC001586863924 1079697228 /nfs/dbraw/zinc/69/72/28/1079697228.db2.gz BJDVJWXUIBFDHV-MRXNPFEDSA-N 0 0 366.477 2.734 20 10 FFCDRN C[C@@H](NC(=O)c1nccn2c(Br)cnc12)c1ccccc1O ZINC001587446960 1079793724 /nfs/dbraw/zinc/79/37/24/1079793724.db2.gz DNKFVOLSZSYPLH-SECBINFHSA-N 0 0 361.199 2.688 20 10 FFCDRN C[C@@H](NC(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1ccccc1O ZINC001587446880 1079794004 /nfs/dbraw/zinc/79/40/04/1079794004.db2.gz AULVDWRPYYTXQU-LLVKDONJSA-N 0 0 358.350 2.953 20 10 FFCDRN O=C(Cc1nnc(C2CC2)[nH]1)N(Cc1ccco1)Cc1ccccc1O ZINC001588145839 1079935632 /nfs/dbraw/zinc/93/56/32/1079935632.db2.gz PGIZPZWPEZULTL-UHFFFAOYSA-N 0 0 352.394 2.752 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1CCC[C@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589962160 1080905122 /nfs/dbraw/zinc/90/51/22/1080905122.db2.gz HCLBWWGDNUVMRP-OPQQBVKSSA-N 0 0 371.363 2.723 20 10 FFCDRN C[C@H]([NH2+]Cc1cccc2c1OCCCO2)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589968921 1080911106 /nfs/dbraw/zinc/91/11/06/1080911106.db2.gz HUQXNPNHPNQJTR-LBPRGKRZSA-N 0 0 367.409 2.584 20 10 FFCDRN C[C@@H]([NH2+][C@H]1CCOc2c(F)cccc21)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589978613 1080917615 /nfs/dbraw/zinc/91/76/15/1080917615.db2.gz VRCBPFGUBVIQRJ-BMIGLBTASA-N 0 0 355.373 2.886 20 10 FFCDRN C[C@@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cccc(-c2nn[nH]n2)c1O ZINC001589984929 1080922745 /nfs/dbraw/zinc/92/27/45/1080922745.db2.gz XXSYHEVYEDSZNN-BZNIZROVSA-N 0 0 364.409 2.697 20 10 FFCDRN Cn1c2ccc(F)cc2c(C[NH2+][C@@H]2Cc3ccccc3[C@H]2O)c1C(=O)[O-] ZINC001600902414 1126220834 /nfs/dbraw/zinc/22/08/34/1126220834.db2.gz UKOUOHMIRUFNDU-VQIMIIECSA-N 0 0 354.381 2.764 20 10 FFCDRN Cc1cc(C(=O)CSc2nccs2)c(C)n1[C@@H]1CCS(=O)(=O)C1 ZINC000052913823 506278101 /nfs/dbraw/zinc/27/81/01/506278101.db2.gz VNWICBCGVPXMPZ-GFCCVEGCSA-N 0 0 370.521 2.896 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)C(=O)Nc1cccc(F)c1F ZINC000065558880 506322055 /nfs/dbraw/zinc/32/20/55/506322055.db2.gz QABJMHSFDBCJOI-UHFFFAOYSA-N 0 0 359.376 2.820 20 10 FFCDRN Cc1nnccc1C(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000370988754 512166790 /nfs/dbraw/zinc/16/67/90/512166790.db2.gz WMPNURLIVGEVAM-HNNXBMFYSA-N 0 0 360.845 2.538 20 10 FFCDRN C[C@@H]1CN(c2ccc(C(=O)N(C)Cc3ccccc3O)cn2)C[C@H](C)O1 ZINC000053916163 506462258 /nfs/dbraw/zinc/46/22/58/506462258.db2.gz UCWMVJCODBQFCI-GASCZTMLSA-N 0 0 355.438 2.673 20 10 FFCDRN C[C@@H](C(=O)NCc1ccc(N2CCOCC2)cc1)n1cnc2ccccc21 ZINC000054284284 506529382 /nfs/dbraw/zinc/52/93/82/506529382.db2.gz WTPOJWJWECZPCB-INIZCTEOSA-N 0 0 364.449 2.750 20 10 FFCDRN COCc1cccc(CNC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000054787112 506622562 /nfs/dbraw/zinc/62/25/62/506622562.db2.gz JLMKPHCFCDBONH-UHFFFAOYSA-N 0 0 369.465 2.669 20 10 FFCDRN COc1ncccc1CNC(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000045966111 507054230 /nfs/dbraw/zinc/05/42/30/507054230.db2.gz PGUZAKAMLAETIK-KRWDZBQOSA-N 0 0 371.437 2.687 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)OCCO2 ZINC000016134478 507075431 /nfs/dbraw/zinc/07/54/31/507075431.db2.gz GPLSZGXTVNYFPN-UHFFFAOYSA-N 0 0 368.433 2.567 20 10 FFCDRN CC[C@H]1CN(C(=O)NCc2ccc(N3CCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000373419100 512321160 /nfs/dbraw/zinc/32/11/60/512321160.db2.gz UGVWEVUPOASRKP-FPOVZHCZSA-N 0 0 373.497 2.766 20 10 FFCDRN O=S(=O)(Nc1cc2c(cc1Cl)OCO2)c1cccc2nsnc21 ZINC000019100049 507155870 /nfs/dbraw/zinc/15/58/70/507155870.db2.gz UFNXQWPSFJJKMP-UHFFFAOYSA-N 0 0 369.811 2.874 20 10 FFCDRN COc1cccc(CNC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c1O ZINC000068489289 507249273 /nfs/dbraw/zinc/24/92/73/507249273.db2.gz CTTOOKPJQSZHGY-UHFFFAOYSA-N 0 0 363.435 2.513 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COCc1ccccc1 ZINC000068536171 507261128 /nfs/dbraw/zinc/26/11/28/507261128.db2.gz DMWKRDPPEJJSBG-UHFFFAOYSA-N 0 0 354.450 2.698 20 10 FFCDRN COc1ccc(NC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)cn1 ZINC000047524132 507350671 /nfs/dbraw/zinc/35/06/71/507350671.db2.gz OVZLQYBKODSCSC-UHFFFAOYSA-N 0 0 370.453 2.621 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCc3ccncc3)CC2)cc1 ZINC000058028304 507365241 /nfs/dbraw/zinc/36/52/41/507365241.db2.gz SQNRFTMRXDWDCK-UHFFFAOYSA-N 0 0 357.479 2.672 20 10 FFCDRN CCOC(CC(=O)N1CCCN(c2ccc(OC)cc2)CC1)OCC ZINC000367113829 512344465 /nfs/dbraw/zinc/34/44/65/512344465.db2.gz LKPSXERSVURSME-UHFFFAOYSA-N 0 0 350.459 2.523 20 10 FFCDRN CCCc1noc(CN(CC(=O)OC)Cc2cc(Cl)ccc2O)n1 ZINC000072629881 507834364 /nfs/dbraw/zinc/83/43/64/507834364.db2.gz FQLKOXDGEWTFGQ-UHFFFAOYSA-N 0 0 353.806 2.556 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000078896552 507914961 /nfs/dbraw/zinc/91/49/61/507914961.db2.gz SRCQUGBIFVFHOD-HZPDHXFCSA-N 0 0 371.403 2.884 20 10 FFCDRN COc1cccc(CNC(=O)NCCCn2cnc3ccccc32)c1O ZINC000073529880 507928488 /nfs/dbraw/zinc/92/84/88/507928488.db2.gz UGLALQVVEMHQDS-UHFFFAOYSA-N 0 0 354.410 2.640 20 10 FFCDRN Cc1cc(C(=O)NCCc2cn3c(n2)CCCC3)c(C)n1-c1ccccn1 ZINC000073745871 507950961 /nfs/dbraw/zinc/95/09/61/507950961.db2.gz MJIOJTUGPDZACK-UHFFFAOYSA-N 0 0 363.465 2.994 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)C1CCN(C(=O)C(C)C)CC1 ZINC000073906720 507965414 /nfs/dbraw/zinc/96/54/14/507965414.db2.gz HCHHRIBOGJVFFT-UHFFFAOYSA-N 0 0 359.514 2.996 20 10 FFCDRN CCn1c(CCNC(=O)NCc2cccc(OC)c2O)nc2ccccc21 ZINC000073909092 507966398 /nfs/dbraw/zinc/96/63/98/507966398.db2.gz QJKVDBZOKBAVPP-UHFFFAOYSA-N 0 0 368.437 2.812 20 10 FFCDRN COc1cccc(CNc2ccc(S(=O)(=O)C(C)(C)C)nc2)c1O ZINC000091479316 507988929 /nfs/dbraw/zinc/98/89/29/507988929.db2.gz JFJSZTVQPTVVBF-UHFFFAOYSA-N 0 0 350.440 2.980 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2ccccn2)no1 ZINC000074191440 507996106 /nfs/dbraw/zinc/99/61/06/507996106.db2.gz XDTGSZNAIOSNQG-UHFFFAOYSA-N 0 0 350.378 2.842 20 10 FFCDRN CCO[C@H](CCNC(=O)NCc1ccc(N2CCOCC2)cc1)C(C)C ZINC000074858150 508063638 /nfs/dbraw/zinc/06/36/38/508063638.db2.gz PMIGSQZMFAYBGM-LJQANCHMSA-N 0 0 363.502 2.774 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1ccc(C)[nH]c1=O ZINC000075417030 508106653 /nfs/dbraw/zinc/10/66/53/508106653.db2.gz XQZMHYPWARWCJU-UHFFFAOYSA-N 0 0 365.227 2.814 20 10 FFCDRN COCCN(CC(=O)N1CCCCCC1)c1ccc(OC)c(OC)c1 ZINC000081155995 508142205 /nfs/dbraw/zinc/14/22/05/508142205.db2.gz MVUAUNQPHJVLMO-UHFFFAOYSA-N 0 0 350.459 2.559 20 10 FFCDRN Cc1nn(C)c2ncc(S(=O)(=O)Nc3cccc(N4CCCC4)c3)cc12 ZINC000111995412 508142720 /nfs/dbraw/zinc/14/27/20/508142720.db2.gz UHRFTJOWALMXIJ-UHFFFAOYSA-N 0 0 371.466 2.678 20 10 FFCDRN COC(=O)c1ncn(CC(=O)c2cc(C)n(-c3ccccc3C)c2C)n1 ZINC000076608811 508230952 /nfs/dbraw/zinc/23/09/52/508230952.db2.gz NNHCDYFMXIDZAW-UHFFFAOYSA-N 0 0 352.394 2.664 20 10 FFCDRN CCO[C@H](C)c1noc(CN2CCCN(c3ccc(OC)cc3)CC2)n1 ZINC000076721246 508246077 /nfs/dbraw/zinc/24/60/77/508246077.db2.gz UZMDRSVGQIFWIZ-OAHLLOKOSA-N 0 0 360.458 2.888 20 10 FFCDRN Cc1cc(C(=O)NCC2(C(=O)N(C)C)CCCC2)c(C)n1-c1ccccn1 ZINC000113212082 508251068 /nfs/dbraw/zinc/25/10/68/508251068.db2.gz BFQMDFVSDGXQKI-UHFFFAOYSA-N 0 0 368.481 2.868 20 10 FFCDRN CCC[C@H](O)CNC(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000114954365 508362129 /nfs/dbraw/zinc/36/21/29/508362129.db2.gz AKUBOGXTMVRBAG-HNNXBMFYSA-N 0 0 371.428 2.717 20 10 FFCDRN COc1ccc(N(C)C[C@H](O)c2ccc(S(C)(=O)=O)cc2)cc1Cl ZINC000121877654 508438641 /nfs/dbraw/zinc/43/86/41/508438641.db2.gz ATYPBOCDYVTYNE-INIZCTEOSA-N 0 0 369.870 2.922 20 10 FFCDRN Cn1nccc1[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000367245801 512404224 /nfs/dbraw/zinc/40/42/24/512404224.db2.gz GWEFOBFBGWFDDH-GOSISDBHSA-N 0 0 367.497 2.892 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1OCCc2ccccc21 ZINC000137619820 508760972 /nfs/dbraw/zinc/76/09/72/508760972.db2.gz BIKXQZWHARIQPB-HXUWFJFHSA-N 0 0 370.424 2.593 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(OC)ccc3[N+](=O)[O-])CC2)cc1 ZINC000145464523 508845411 /nfs/dbraw/zinc/84/54/11/508845411.db2.gz JSJXJYOBPYFCAH-UHFFFAOYSA-N 0 0 371.393 2.574 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)N[C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CC2)cc1 ZINC000155234050 508954141 /nfs/dbraw/zinc/95/41/41/508954141.db2.gz WCJAIGBYRKDYMO-QRVBRYPASA-N 0 0 373.497 2.730 20 10 FFCDRN COCCCn1ccc(NC(=O)NCc2ccc3c(c2)CCCN3C)n1 ZINC000151408766 509010446 /nfs/dbraw/zinc/01/04/46/509010446.db2.gz FERYDNXMTPHBGL-UHFFFAOYSA-N 0 0 357.458 2.624 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)Nc1ccccc1COC ZINC000125795448 509030586 /nfs/dbraw/zinc/03/05/86/509030586.db2.gz BBZQGCGVQHZHJZ-UHFFFAOYSA-N 0 0 356.422 2.916 20 10 FFCDRN Cc1ccccc1NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000161049279 509064589 /nfs/dbraw/zinc/06/45/89/509064589.db2.gz VXEZYGBCMWDIJK-UHFFFAOYSA-N 0 0 357.429 2.699 20 10 FFCDRN Cc1cc(C(=O)N2CCO[C@@H]([C@@H]3CCCO3)C2)c(C)n1-c1ccccn1 ZINC000151743412 509075804 /nfs/dbraw/zinc/07/58/04/509075804.db2.gz RSUBPCKJVRMMBU-ZWKOTPCHSA-N 0 0 355.438 2.509 20 10 FFCDRN Cc1ccc(F)c(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1 ZINC000263848507 509185487 /nfs/dbraw/zinc/18/54/87/509185487.db2.gz CWBSTXIZDZLGJD-UHFFFAOYSA-N 0 0 362.426 2.621 20 10 FFCDRN CC(C)CC(=O)N[C@@H](C(=O)N1CCOc2cc(N(C)C)ccc21)C(C)C ZINC000188906459 509318612 /nfs/dbraw/zinc/31/86/12/509318612.db2.gz QRMXCWBASAUUOV-LJQANCHMSA-N 0 0 361.486 2.665 20 10 FFCDRN C[C@@H](O)[C@@](C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)Cc1ccccc1 ZINC000192055063 509322263 /nfs/dbraw/zinc/32/22/63/509322263.db2.gz SKACFWMPOTUUPV-POFSWKTNSA-N 0 0 355.434 2.857 20 10 FFCDRN Cc1ccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c(F)c1 ZINC000267226739 509401820 /nfs/dbraw/zinc/40/18/20/509401820.db2.gz XVHITDPJXQEXOA-UHFFFAOYSA-N 0 0 362.426 2.621 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000173190060 509445769 /nfs/dbraw/zinc/44/57/69/509445769.db2.gz FLQLGZAWQWZZLQ-OAHLLOKOSA-N 0 0 373.497 2.763 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(Br)cn1 ZINC000173205146 509455145 /nfs/dbraw/zinc/45/51/45/509455145.db2.gz FMCGCCQIOAXQDJ-UHFFFAOYSA-N 0 0 362.227 2.949 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(-c2ccncc2)on1 ZINC000173208082 509456620 /nfs/dbraw/zinc/45/66/20/509456620.db2.gz OUYPJJDWBMJNEI-UHFFFAOYSA-N 0 0 350.378 2.842 20 10 FFCDRN C[C@@H](NC(=O)CC1CCCCC1)C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173208519 509456822 /nfs/dbraw/zinc/45/68/22/509456822.db2.gz MBZDFQHHMYXFPG-OAHLLOKOSA-N 0 0 373.497 2.953 20 10 FFCDRN CC[C@@H](NC(=O)NCc1cccc(OC)c1O)c1nnc2n1CCCCC2 ZINC000267436269 509481719 /nfs/dbraw/zinc/48/17/19/509481719.db2.gz RNIHBXYPPCJPDU-CQSZACIVSA-N 0 0 373.457 2.669 20 10 FFCDRN CC[C@H]1Cc2ccccc2CN1C(=O)c1cc(NS(C)(=O)=O)ccc1O ZINC000186036431 509494058 /nfs/dbraw/zinc/49/40/58/509494058.db2.gz RAACXYVPLZUUIO-INIZCTEOSA-N 0 0 374.462 2.741 20 10 FFCDRN Cc1nccn1CCCCNC(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000173290162 509508615 /nfs/dbraw/zinc/50/86/15/509508615.db2.gz IEHFTEWDPSASHY-UHFFFAOYSA-N 0 0 353.470 2.847 20 10 FFCDRN CNC(=O)c1ccc(C)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000182964074 509520093 /nfs/dbraw/zinc/52/00/93/509520093.db2.gz LYWUYDCESIRSKF-UHFFFAOYSA-N 0 0 368.437 2.852 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H](C)c2nnc3n2CCC3)cc1 ZINC000264499536 509564809 /nfs/dbraw/zinc/56/48/09/509564809.db2.gz FXZCZKFASCWCFF-CQSZACIVSA-N 0 0 356.474 2.631 20 10 FFCDRN CCOc1ccc(NC(=O)C(=O)NCc2c(O)ccc3c2CCCC3)cc1 ZINC000173396236 509571116 /nfs/dbraw/zinc/57/11/16/509571116.db2.gz DDEDLWKWHIOCBR-UHFFFAOYSA-N 0 0 368.433 2.925 20 10 FFCDRN CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000183068219 509576445 /nfs/dbraw/zinc/57/64/45/509576445.db2.gz WJVIEZMEPBDODZ-GOSISDBHSA-N 0 0 354.450 2.929 20 10 FFCDRN O=C(NC[C@H](O)C1CC1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000267653713 509584647 /nfs/dbraw/zinc/58/46/47/509584647.db2.gz BBVGSUMMUGBTAH-AWZKZOKMSA-N 0 0 352.394 2.928 20 10 FFCDRN COc1cccc([C@H](C)N2CCN(C(=O)Cc3ccc(N)cc3)CC2)c1 ZINC000237310887 509619641 /nfs/dbraw/zinc/61/96/41/509619641.db2.gz IBSRKROSVQOTPM-INIZCTEOSA-N 0 0 353.466 2.725 20 10 FFCDRN Cc1cccnc1/C=C/C(=O)N(C)Cc1ccc(N2CCOCC2)cc1 ZINC000186406804 509693624 /nfs/dbraw/zinc/69/36/24/509693624.db2.gz UTOGIOQFSJXZQG-MDZDMXLPSA-N 0 0 351.450 2.898 20 10 FFCDRN CC(=O)c1ccc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000264803880 509713442 /nfs/dbraw/zinc/71/34/42/509713442.db2.gz ZCUNYFLMIQZYFA-UHFFFAOYSA-N 0 0 352.434 2.998 20 10 FFCDRN C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)c(Cl)cc1[O-] ZINC000193046832 509752442 /nfs/dbraw/zinc/75/24/42/509752442.db2.gz ABVYSIGQBSHQQD-ZJUUUORDSA-N 0 0 367.298 2.631 20 10 FFCDRN O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1cccc(O)c1O ZINC000193055693 509757065 /nfs/dbraw/zinc/75/70/65/509757065.db2.gz FNKNWFVBFQMTAO-UHFFFAOYSA-N 0 0 350.378 2.945 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCCCO[C@@H]1CCOC1 ZINC000268108017 509758689 /nfs/dbraw/zinc/75/86/89/509758689.db2.gz GAQKETZNJPOBCL-LJQANCHMSA-N 0 0 363.502 2.868 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000176978574 509795985 /nfs/dbraw/zinc/79/59/85/509795985.db2.gz MEXWPBYPNOMDBL-UHFFFAOYSA-N 0 0 362.376 2.779 20 10 FFCDRN Cc1oc(-c2cnn(C)c2)nc1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000177003603 509811986 /nfs/dbraw/zinc/81/19/86/509811986.db2.gz UWYKKNRQDUIWRA-UHFFFAOYSA-N 0 0 365.437 2.696 20 10 FFCDRN COC(=O)[C@H]1CC12CCN(C(=O)NCc1ccc(N3CCCC3)cc1)CC2 ZINC000265033571 509830749 /nfs/dbraw/zinc/83/07/49/509830749.db2.gz ABSGSZKIRZUANI-GOSISDBHSA-N 0 0 371.481 2.772 20 10 FFCDRN Cc1csc([C@H](NCC(=O)NCc2ccc(N(C)C)cc2)C2CC2)n1 ZINC000183535632 509846613 /nfs/dbraw/zinc/84/66/13/509846613.db2.gz JJQBXYZGERHSRN-GOSISDBHSA-N 0 0 358.511 2.875 20 10 FFCDRN CC(C)S(=O)(=O)c1ccc(CC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000180337014 509874335 /nfs/dbraw/zinc/87/43/35/509874335.db2.gz VSPVWGCIVYIKAD-UHFFFAOYSA-N 0 0 374.506 2.794 20 10 FFCDRN COc1cccc(CNC(=O)Nc2ccccc2O[C@@H]2CCOC2)c1O ZINC000268367145 509891634 /nfs/dbraw/zinc/89/16/34/509891634.db2.gz NUIFUMRRLRJFNP-CQSZACIVSA-N 0 0 358.394 2.890 20 10 FFCDRN Cc1cc(O)c(CNc2cccc(C(=O)N3CCC[C@@H]3CO)n2)cc1C ZINC000190076410 509923751 /nfs/dbraw/zinc/92/37/51/509923751.db2.gz QRHCPHFDOMWOIO-MRXNPFEDSA-N 0 0 355.438 2.613 20 10 FFCDRN COc1cc(N2CCN(Cc3cnc(C)s3)CC2)cc(OC)c1OC ZINC000183697657 509932237 /nfs/dbraw/zinc/93/22/37/509932237.db2.gz UGCPPEHBTMENEH-UHFFFAOYSA-N 0 0 363.483 2.800 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCOCC(F)(F)C(F)(F)F ZINC000190104660 509938829 /nfs/dbraw/zinc/93/88/29/509938829.db2.gz KFVIRQDEUNRVLI-VIFPVBQESA-N 0 0 371.302 2.749 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCCN(Cc3cscn3)CC2)cc1 ZINC000171145783 509968705 /nfs/dbraw/zinc/96/87/05/509968705.db2.gz QXGZOAPXMYFKFN-UHFFFAOYSA-N 0 0 373.526 2.627 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3n[nH]c4ccccc43)CC2)cc1F ZINC000177271459 509972901 /nfs/dbraw/zinc/97/29/01/509972901.db2.gz PRYHUYTZMWMFAK-UHFFFAOYSA-N 0 0 354.385 2.673 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2noc(-c3ccsc3)n2)cc1 ZINC000183793400 509977484 /nfs/dbraw/zinc/97/74/84/509977484.db2.gz ZMRJVZJOTCBEIG-UHFFFAOYSA-N 0 0 359.407 2.986 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2cccc(C(=O)N(C)C)c2)cc1 ZINC000183802635 509982241 /nfs/dbraw/zinc/98/22/41/509982241.db2.gz LACQLGQDTSEIQZ-UHFFFAOYSA-N 0 0 356.422 2.577 20 10 FFCDRN Cc1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1C(=O)NC(C)C ZINC000268597599 510028338 /nfs/dbraw/zinc/02/83/38/510028338.db2.gz PVPKCVZEGWUARR-UHFFFAOYSA-N 0 0 371.437 2.909 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CSc1nnc2ccccn21 ZINC000183919942 510039257 /nfs/dbraw/zinc/03/92/57/510039257.db2.gz DYHAGXDCUVXMOF-UHFFFAOYSA-N 0 0 356.451 2.966 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C(=O)Nc2ccc3c(c2)CCCO3)cc1 ZINC000171277042 510050267 /nfs/dbraw/zinc/05/02/67/510050267.db2.gz XPLGCSHUUJHORB-UHFFFAOYSA-N 0 0 367.449 2.675 20 10 FFCDRN CC(C)Oc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(N(C)C)cc1 ZINC000171337552 510089151 /nfs/dbraw/zinc/08/91/51/510089151.db2.gz HARITYPOCADWQN-UHFFFAOYSA-N 0 0 373.428 2.934 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000194003524 510171121 /nfs/dbraw/zinc/17/11/21/510171121.db2.gz FUFKUSGXAVDDLM-LBPRGKRZSA-N 0 0 367.409 2.646 20 10 FFCDRN CCOC(=O)C1(O)CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 ZINC000265794379 510234344 /nfs/dbraw/zinc/23/43/44/510234344.db2.gz JEKIZWPMLOBVKH-UHFFFAOYSA-N 0 0 370.449 2.624 20 10 FFCDRN COc1cccc(CNC(=O)c2ccccc2S(=O)(=O)C(C)C)c1O ZINC000269216569 510295981 /nfs/dbraw/zinc/29/59/81/510295981.db2.gz YMHRKSPDDYUCNB-UHFFFAOYSA-N 0 0 363.435 2.513 20 10 FFCDRN CN1CC[C@@H](NC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1c1ccc(F)c(F)c1 ZINC000181277095 510335267 /nfs/dbraw/zinc/33/52/67/510335267.db2.gz OGZYPWIYCRXIRA-IBGMVYNLSA-N 0 0 374.387 2.951 20 10 FFCDRN CC(=O)N1CC(C(=O)N(Cc2ccccc2O)[C@@H](C)c2ccccc2)C1 ZINC000187851913 510469956 /nfs/dbraw/zinc/46/99/56/510469956.db2.gz FSVPZUFHNPDCTF-HNNXBMFYSA-N 0 0 352.434 2.960 20 10 FFCDRN CC(C)c1n[nH]c(C(=O)NCc2c(O)ccc3c2CCCC3)c1[N+](=O)[O-] ZINC000269596749 510475869 /nfs/dbraw/zinc/47/58/69/510475869.db2.gz NWWPQGPFLKXUPS-UHFFFAOYSA-N 0 0 358.398 2.956 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@@H](C)Oc3cccnc3)CC2)cc1 ZINC000172059097 510521386 /nfs/dbraw/zinc/52/13/86/510521386.db2.gz JQJCCGFMOMMWAF-MRXNPFEDSA-N 0 0 355.438 2.596 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)N[C@@H]3CCSC3)cc2F)C[C@H](C)O1 ZINC000266488846 510619006 /nfs/dbraw/zinc/61/90/06/510619006.db2.gz FBCDNDDCBOXMBS-VNHYZAJKSA-N 0 0 367.490 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CCCCN(Cc1ccccc1O)C(=O)CC1(CS(C)(=O)=O)CC1 ZINC000282388524 510957305 /nfs/dbraw/zinc/95/73/05/510957305.db2.gz DJPVIBXIAIBGHF-UHFFFAOYSA-N 0 0 353.484 2.736 20 10 FFCDRN COc1cccc(CN2CCN(c3nc(F)c(F)cc3F)CC2)c1O ZINC000277314225 510960405 /nfs/dbraw/zinc/96/04/05/510960405.db2.gz BSWQOGZDAJACPP-UHFFFAOYSA-N 0 0 353.344 2.535 20 10 FFCDRN CN1C(=O)N(Cc2ccc(N3CCOCC3)cc2)C(=O)C12CCCCC2 ZINC000277343673 510962275 /nfs/dbraw/zinc/96/22/75/510962275.db2.gz NEPFLXRHJPTMBT-UHFFFAOYSA-N 0 0 357.454 2.620 20 10 FFCDRN CCCN1C(=O)N(Cc2ccc(N3CCOCC3)c(F)c2)C(=O)[C@@H]1CC ZINC000277502818 510964587 /nfs/dbraw/zinc/96/45/87/510964587.db2.gz WTKZCIFPWWXHGB-INIZCTEOSA-N 0 0 363.433 2.615 20 10 FFCDRN C[C@@H](NC(=O)NCc1cccc(Br)c1O)C1CCOCC1 ZINC000277588647 510967354 /nfs/dbraw/zinc/96/73/54/510967354.db2.gz TYSMEDKRSDDZTF-SNVBAGLBSA-N 0 0 357.248 2.769 20 10 FFCDRN CCO[C@H]1C[C@]2(NC(=O)N(Cc3ccc4c(c3)CCCN4C)C2=O)C1(C)C ZINC000277874685 510974956 /nfs/dbraw/zinc/97/49/56/510974956.db2.gz 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ZINC000278477271 510993526 /nfs/dbraw/zinc/99/35/26/510993526.db2.gz IPLJFTMXSLCULB-UHFFFAOYSA-N 0 0 365.430 2.628 20 10 FFCDRN CN(CCN1CCOC(C)(C)C1)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000278681886 511002675 /nfs/dbraw/zinc/00/26/75/511002675.db2.gz BAHSKMHGDDRSDF-UHFFFAOYSA-N 0 0 374.529 2.539 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)c1cccc(-n2cnnn2)c1 ZINC000282522492 511011976 /nfs/dbraw/zinc/01/19/76/511011976.db2.gz PQKSKGFQIYBHTA-UHFFFAOYSA-N 0 0 351.410 2.810 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@@H]1[C@H]1CCCO1 ZINC000285812303 511014958 /nfs/dbraw/zinc/01/49/58/511014958.db2.gz NLMPCSWZWJPJCV-DSJULSIBSA-N 0 0 356.466 2.706 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN(C)Cc2ncnn2CC(F)F)c1O ZINC000278969186 511015834 /nfs/dbraw/zinc/01/58/34/511015834.db2.gz PYPZWXZBDVTBDU-UHFFFAOYSA-N 0 0 358.776 2.737 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000278986028 511015928 /nfs/dbraw/zinc/01/59/28/511015928.db2.gz IHOGLXLEMYFAQK-GOSISDBHSA-N 0 0 368.433 2.960 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c[nH]nc1-c1ccoc1 ZINC000279110465 511019281 /nfs/dbraw/zinc/01/92/81/511019281.db2.gz YQLQZERCSGGDCG-UHFFFAOYSA-N 0 0 370.384 2.575 20 10 FFCDRN COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000270901911 511020501 /nfs/dbraw/zinc/02/05/01/511020501.db2.gz RAIQFCDDSXORIN-AWZKZOKMSA-N 0 0 370.409 2.554 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H]3C)C2)c(C)n1-c1ccccn1 ZINC000279229326 511021630 /nfs/dbraw/zinc/02/16/30/511021630.db2.gz GESVXLISSXUAGY-WJPUGNRLSA-N 0 0 369.465 2.898 20 10 FFCDRN Cc1cc(C(=O)CN(C)Cc2nncn2C)c(C)n1-c1ccc(C)cc1 ZINC000287000714 511037472 /nfs/dbraw/zinc/03/74/72/511037472.db2.gz QAULMLVKMADQGA-UHFFFAOYSA-N 0 0 351.454 2.846 20 10 FFCDRN CN1CCCc2cc(CNC(=O)NCc3nccc(C(F)F)n3)ccc21 ZINC000287396349 511048565 /nfs/dbraw/zinc/04/85/65/511048565.db2.gz DKEONEMPMXRHSH-UHFFFAOYSA-N 0 0 361.396 2.796 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC[C@H]1[C@@H]1CCCC1=O ZINC000271004801 511053558 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/nfs/dbraw/zinc/14/37/36/511143736.db2.gz QSNLTJHUMINLSD-NSHDSACASA-N 0 0 364.243 2.538 20 10 FFCDRN C[C@@H]1OCC[C@]12CN(C(=O)NCc1ccc(N3CC=CC3)cc1)C[C@@H](C)O2 ZINC000279636497 511155348 /nfs/dbraw/zinc/15/53/48/511155348.db2.gz VJEIYFQNLCZESG-WWMYMODYSA-N 0 0 371.481 2.541 20 10 FFCDRN CCOc1cccc(CN2CCS(=O)(=O)C3(CCCCC3)C2)c1O ZINC000271318349 511162137 /nfs/dbraw/zinc/16/21/37/511162137.db2.gz YIIXONWQKPMMPG-UHFFFAOYSA-N 0 0 353.484 2.724 20 10 FFCDRN Cc1cc(Br)cc(CN2CCO[C@]3(CCO[C@@H]3C)C2)c1O ZINC000279740303 511195914 /nfs/dbraw/zinc/19/59/14/511195914.db2.gz XGLLXFQJVQTQMQ-MLGOLLRUSA-N 0 0 356.260 2.843 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NC[C@H]1COC2(CCCC2)O1 ZINC000271517699 511230295 /nfs/dbraw/zinc/23/02/95/511230295.db2.gz GLJVENNLJHHALW-SFHVURJKSA-N 0 0 357.454 2.548 20 10 FFCDRN COc1ccc(N2CCN(c3ccc(-c4nc(C)no4)cn3)CC2)cc1F ZINC000362810792 511243219 /nfs/dbraw/zinc/24/32/19/511243219.db2.gz HULCPVWZBKMHCZ-UHFFFAOYSA-N 0 0 369.400 2.914 20 10 FFCDRN CC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])NC(=O)OC(C)(C)C ZINC000295011525 511252501 /nfs/dbraw/zinc/25/25/01/511252501.db2.gz JNDUFKQBZBRPGK-LBPRGKRZSA-N 0 0 369.418 2.702 20 10 FFCDRN Cc1nn(C)c(C)c1C(=O)C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000298352132 511254041 /nfs/dbraw/zinc/25/40/41/511254041.db2.gz LSRPFMKXVXNACQ-UHFFFAOYSA-N 0 0 356.470 2.723 20 10 FFCDRN CCOCCO[C@H]1CC[N@H+](Cc2ccc(N3CCC(OC)CC3)cc2)C1 ZINC000295041288 511261469 /nfs/dbraw/zinc/26/14/69/511261469.db2.gz WSSPSFAQPWEKAX-NRFANRHFSA-N 0 0 362.514 2.929 20 10 FFCDRN CN(C)c1ccc(CN2CCC[C@@H](S(C)(=O)=O)C2)c(C(F)(F)F)c1 ZINC000279932803 511272050 /nfs/dbraw/zinc/27/20/50/511272050.db2.gz NOHZBBQBOMJMMD-CQSZACIVSA-N 0 0 364.433 2.780 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)C(=O)NC2CCCC2)cc1 ZINC000283259510 511298130 /nfs/dbraw/zinc/29/81/30/511298130.db2.gz MFRMRPXNBISOQP-UHFFFAOYSA-N 0 0 369.465 2.933 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2ccccn2)n1C[C@@H]1CCCO1 ZINC000291756248 511324428 /nfs/dbraw/zinc/32/44/28/511324428.db2.gz CPYGTAYOXHQEKD-INIZCTEOSA-N 0 0 365.437 2.861 20 10 FFCDRN CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cc(OC)ccc1O ZINC000271817597 511334790 /nfs/dbraw/zinc/33/47/90/511334790.db2.gz OLBSXJMFHNAHLU-UHFFFAOYSA-N 0 0 371.437 2.820 20 10 FFCDRN CCn1ccnc1[C@H]1CCCCN1CC(=O)NCc1ccc(N(C)C)cc1 ZINC000298607201 511345727 /nfs/dbraw/zinc/34/57/27/511345727.db2.gz SWCGJVRNJJOLDR-LJQANCHMSA-N 0 0 369.513 2.812 20 10 FFCDRN COc1ccc(C2=NO[C@H](CNC(=O)N(C)Cc3ccccc3O)C2)cc1 ZINC000283417202 511359513 /nfs/dbraw/zinc/35/95/13/511359513.db2.gz RHHAYOYFYJLBOX-KRWDZBQOSA-N 0 0 369.421 2.735 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1 ZINC000298644755 511359858 /nfs/dbraw/zinc/35/98/58/511359858.db2.gz PYYUMJSDKAYZRO-OALUTQOASA-N 0 0 371.481 2.550 20 10 FFCDRN COc1cc(O)c(CN2CCOC[C@@H]2C[C@H](O)c2ccccc2)cc1OC ZINC000271901320 511364686 /nfs/dbraw/zinc/36/46/86/511364686.db2.gz ZHIAZEBDPYVNRK-ROUUACIJSA-N 0 0 373.449 2.734 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)cc1 ZINC000298685280 511374314 /nfs/dbraw/zinc/37/43/14/511374314.db2.gz BPGKDDRRTOBGBR-UHFFFAOYSA-N 0 0 356.470 2.689 20 10 FFCDRN CN(C)C(=O)Cn1ccc(NCc2ccc(N(C)C)cc2C(F)(F)F)n1 ZINC000280218657 511380372 /nfs/dbraw/zinc/38/03/72/511380372.db2.gz ISMURWRKPRQVRL-UHFFFAOYSA-N 0 0 369.391 2.668 20 10 FFCDRN CN(Cc1ccccc1O)c1nnc(-c2cccnc2)n1C[C@H]1CCCO1 ZINC000291899913 511383225 /nfs/dbraw/zinc/38/32/25/511383225.db2.gz MWQHGUWYQDZMGK-QGZVFWFLSA-N 0 0 365.437 2.861 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)s1 ZINC000295393844 511388954 /nfs/dbraw/zinc/38/89/54/511388954.db2.gz VKEVHIMSVAECFS-UHFFFAOYSA-N 0 0 368.436 2.636 20 10 FFCDRN CCOCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(C)c2)cc1 ZINC000271982198 511391198 /nfs/dbraw/zinc/39/11/98/511391198.db2.gz XFYFMDGUONFSBS-UHFFFAOYSA-N 0 0 351.424 2.917 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNc3ccc(C(N)=O)cn3)cc2F)C[C@@H](C)O1 ZINC000298733601 511392486 /nfs/dbraw/zinc/39/24/86/511392486.db2.gz OHNPWGXBJDSNRP-CHWSQXEVSA-N 0 0 358.417 2.545 20 10 FFCDRN CCOCCCNC(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000283513748 511396816 /nfs/dbraw/zinc/39/68/16/511396816.db2.gz ZZFBTLSWEINZSI-UHFFFAOYSA-N 0 0 362.470 2.596 20 10 FFCDRN CCN1CC(=O)N([C@H]2CCCN(c3ccc(OC(F)F)cc3)C2)C1=O ZINC000272051878 511413925 /nfs/dbraw/zinc/41/39/25/511413925.db2.gz BLTWEMXRUBAWDH-ZDUSSCGKSA-N 0 0 353.369 2.541 20 10 FFCDRN CC(C)[C@@H](NCC(=O)NCc1ccc(N(C)C)cc1)c1nc(C2CC2)no1 ZINC000298899102 511446870 /nfs/dbraw/zinc/44/68/70/511446870.db2.gz MHRFQGNQKWQMMH-GOSISDBHSA-N 0 0 371.485 2.616 20 10 FFCDRN CN(C)c1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 ZINC000283744352 511484382 /nfs/dbraw/zinc/48/43/82/511484382.db2.gz JRXAINPAQPJKLB-UHFFFAOYSA-N 0 0 355.438 2.607 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@H](c2ccccc2)C2CC2)cc1 ZINC000283748854 511486713 /nfs/dbraw/zinc/48/67/13/511486713.db2.gz OFDLPOJYSKVHEQ-LJQANCHMSA-N 0 0 351.450 2.636 20 10 FFCDRN CNC(=O)CCCNC(=O)N(Cc1ccco1)Cc1ccc(N(C)C)cc1 ZINC000299030751 511490905 /nfs/dbraw/zinc/49/09/05/511490905.db2.gz CCACYBFSVKAMKP-UHFFFAOYSA-N 0 0 372.469 2.584 20 10 FFCDRN Cc1nn(C)c(C)c1S(=O)(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000299037485 511492424 /nfs/dbraw/zinc/49/24/24/511492424.db2.gz BFOVBTKJTZXONK-UHFFFAOYSA-N 0 0 364.515 2.702 20 10 FFCDRN C[C@@H](c1ccccc1)N(C)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000283774231 511495545 /nfs/dbraw/zinc/49/55/45/511495545.db2.gz UBHGINAUISHIKW-AWEZNQCLSA-N 0 0 357.429 2.728 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ccc(OC(C)(C)C)nc2)c1O ZINC000272488017 511495974 /nfs/dbraw/zinc/49/59/74/511495974.db2.gz JZPKQRWMWFWXGL-UHFFFAOYSA-N 0 0 359.426 2.973 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)[C@H]2CCCCN2C(=O)c2ccco2)cc1 ZINC000299048295 511497247 /nfs/dbraw/zinc/49/72/47/511497247.db2.gz SKVWSSRGFGJYTI-GOSISDBHSA-N 0 0 369.465 2.999 20 10 FFCDRN COc1ccc(C(=O)NCc2ccc(N3CCCC3)cc2)cc1OCCO ZINC000299055164 511499925 /nfs/dbraw/zinc/49/99/25/511499925.db2.gz UDQQNKRXHIORTJ-UHFFFAOYSA-N 0 0 370.449 2.597 20 10 FFCDRN COC1(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)CCC1 ZINC000272734550 511506761 /nfs/dbraw/zinc/50/67/61/511506761.db2.gz LVEVSWDKRPIZJV-UHFFFAOYSA-N 0 0 372.387 2.727 20 10 FFCDRN Cc1cccc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c1C ZINC000299094623 511513787 /nfs/dbraw/zinc/51/37/87/511513787.db2.gz BDAWSISLYYIIES-UHFFFAOYSA-N 0 0 358.463 2.791 20 10 FFCDRN CC[C@@H]1C[C@H](C(=O)N(CC(=O)OC)Cc2cc(Cl)ccc2O)CCO1 ZINC000273008216 511515264 /nfs/dbraw/zinc/51/52/64/511515264.db2.gz PMMYRLPTFTZAEQ-IUODEOHRSA-N 0 0 369.845 2.752 20 10 FFCDRN Cn1ncc(Br)c1/C=C1\SC(=S)N(C2CCC2)C1=O ZINC000292253755 511524569 /nfs/dbraw/zinc/52/45/69/511524569.db2.gz DWFUNBGPWYXAJL-YHYXMXQVSA-N 0 0 358.286 2.936 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]Cc2ccc(-n3ccnc3C)nc2)c1 ZINC000273397695 511525215 /nfs/dbraw/zinc/52/52/15/511525215.db2.gz MIDSZLDCLZIRJA-CYBMUJFWSA-N 0 0 366.421 2.919 20 10 FFCDRN C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000273424158 511526744 /nfs/dbraw/zinc/52/67/44/511526744.db2.gz SXZBKHWMBMWMGI-SMDDNHRTSA-N 0 0 350.346 2.530 20 10 FFCDRN CCNC(=O)COc1ccc(N[C@@H](C)c2cc(C(=O)OC)ccc2O)cc1 ZINC000273499740 511528919 /nfs/dbraw/zinc/52/89/19/511528919.db2.gz PWQHHDCCQYTIFY-ZDUSSCGKSA-N 0 0 372.421 2.867 20 10 FFCDRN CN(C)c1ccc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)cc1 ZINC000299147357 511531704 /nfs/dbraw/zinc/53/17/04/511531704.db2.gz JROCIVCTLLMNOO-UHFFFAOYSA-N 0 0 371.456 2.783 20 10 FFCDRN COc1cc(OC)cc([C@@H](O)C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273592892 511545051 /nfs/dbraw/zinc/54/50/51/511545051.db2.gz PSEPNMYDGTVNQS-VOJFVSQTSA-N 0 0 362.382 2.702 20 10 FFCDRN COc1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)c(C)cc1C ZINC000280725382 511578484 /nfs/dbraw/zinc/57/84/84/511578484.db2.gz KNTRVYNZTSEWJM-UHFFFAOYSA-N 0 0 355.438 2.633 20 10 FFCDRN CCOCc1nc([C@H](C)NC(=O)NCc2ccc(N3CCCC3)cc2)no1 ZINC000292449846 511601311 /nfs/dbraw/zinc/60/13/11/511601311.db2.gz OJGVJGYXVFUXGW-AWEZNQCLSA-N 0 0 373.457 2.767 20 10 FFCDRN Cc1ccc(CNC(=O)C(=O)N(Cc2ccc(N(C)C)cc2)C(C)C)cn1 ZINC000284126909 511615409 /nfs/dbraw/zinc/61/54/09/511615409.db2.gz QEYMMCWHRNSOBM-UHFFFAOYSA-N 0 0 368.481 2.509 20 10 FFCDRN CCOc1cccc(CNc2ccc(C(=O)N[C@H](CC)CO)cc2)c1O ZINC000280821647 511615591 /nfs/dbraw/zinc/61/55/91/511615591.db2.gz VJMCSVGFFJZROX-MRXNPFEDSA-N 0 0 358.438 2.904 20 10 FFCDRN C[C@H]1CN(c2ccc(NC(=O)NCc3ccccc3O)cn2)C[C@H](C)O1 ZINC000299467981 511648234 /nfs/dbraw/zinc/64/82/34/511648234.db2.gz CBAKAHQSABJREA-KBPBESRZSA-N 0 0 356.426 2.723 20 10 FFCDRN O=S(=O)(CC1CC(F)(F)C1)NCc1cccc(Br)c1O ZINC000296207810 511656095 /nfs/dbraw/zinc/65/60/95/511656095.db2.gz MJKMRYUDDFEQFF-UHFFFAOYSA-N 0 0 370.215 2.619 20 10 FFCDRN CCCCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccccc2O)cc1 ZINC000299536855 511661167 /nfs/dbraw/zinc/66/11/67/511661167.db2.gz UMSHJTLAFVCUGG-UHFFFAOYSA-N 0 0 370.405 2.604 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c[nH]nc1C(C)(C)C ZINC000292675069 511681776 /nfs/dbraw/zinc/68/17/76/511681776.db2.gz DYVICDAASQTLCE-UHFFFAOYSA-N 0 0 356.470 2.816 20 10 FFCDRN COc1ccc(N2CCCN(c3ccc4nnc(C5CC5)n4n3)CC2)cc1 ZINC000301156202 511688650 /nfs/dbraw/zinc/68/86/50/511688650.db2.gz BRXNCIKJJOVGAI-UHFFFAOYSA-N 0 0 364.453 2.727 20 10 FFCDRN Nc1nc(NCc2ccc(N3CCOCC3)c(F)c2)nc2ccccc12 ZINC000301889859 511703193 /nfs/dbraw/zinc/70/31/93/511703193.db2.gz QQKIOROUAKOPMP-UHFFFAOYSA-N 0 0 353.401 2.800 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)c2ncnc3n[nH]cc32)cc1 ZINC000301846771 511703701 /nfs/dbraw/zinc/70/37/01/511703701.db2.gz MYGUCGRYEYJJPS-INIZCTEOSA-N 0 0 352.442 2.605 20 10 FFCDRN CC1(C)CN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC2(CCCC2)O1 ZINC000302627274 511708698 /nfs/dbraw/zinc/70/86/98/511708698.db2.gz FRTWOOSSUAJZKU-UHFFFAOYSA-N 0 0 361.398 2.854 20 10 FFCDRN COc1ccc(CNC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)c(O)c1 ZINC000365961381 511752188 /nfs/dbraw/zinc/75/21/88/511752188.db2.gz MULJSPLNCHDJDC-AWEZNQCLSA-N 0 0 373.428 2.866 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]CCc2cn3c(n2)SCC3)c1[O-] ZINC000274250623 511768661 /nfs/dbraw/zinc/76/86/61/511768661.db2.gz JXAYXVSDJSPLLS-UHFFFAOYSA-N 0 0 354.819 2.588 20 10 FFCDRN O=C(/C=C/c1ccc(N2CCOCC2)cc1)N1CCC2(CCOCC2)CC1 ZINC000284669453 511818225 /nfs/dbraw/zinc/81/82/25/511818225.db2.gz XFEZUSIGTOPNFQ-ZZXKWVIFSA-N 0 0 370.493 2.956 20 10 FFCDRN Cc1ccccc1[C@@H](C)NC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000284775308 511863780 /nfs/dbraw/zinc/86/37/80/511863780.db2.gz JMLWKBUTDQJKLB-MRXNPFEDSA-N 0 0 353.466 2.897 20 10 FFCDRN C[C@@]1(C(=O)NCc2ccc(N)cc2)CCCN(C(=O)c2ccccc2)C1 ZINC000296831601 511915648 /nfs/dbraw/zinc/91/56/48/511915648.db2.gz BDMANKRPWMOLBJ-OAQYLSRUSA-N 0 0 351.450 2.828 20 10 FFCDRN COc1cccc(CNC(=O)NC[C@@]2(C)OCCc3sccc32)c1O ZINC000293421600 511957836 /nfs/dbraw/zinc/95/78/36/511957836.db2.gz UAIQTEDWPIGGII-GOSISDBHSA-N 0 0 362.451 2.750 20 10 FFCDRN COC1CCN(c2ccc(C[NH+]3CCC(C4OCCO4)CC3)cc2)CC1 ZINC000297054550 512002275 /nfs/dbraw/zinc/00/22/75/512002275.db2.gz INNAKYHYRPNFTC-UHFFFAOYSA-N 0 0 360.498 2.887 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(C2CC2)no1 ZINC000281892994 512002795 /nfs/dbraw/zinc/00/27/95/512002795.db2.gz HFJDLEMXLXSLMZ-UHFFFAOYSA-N 0 0 364.785 2.726 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)NCC1([S@](C)=O)CC1 ZINC000282039157 512055700 /nfs/dbraw/zinc/05/57/00/512055700.db2.gz UNERXEQFCGNQSS-DEOSSOPVSA-N 0 0 351.516 2.584 20 10 FFCDRN CN(C[C@H]1CCCN1C(=O)c1cccc(O)c1O)C(=O)OC(C)(C)C ZINC000275143780 512055755 /nfs/dbraw/zinc/05/57/55/512055755.db2.gz QDGXQWMCVOBBSW-GFCCVEGCSA-N 0 0 350.415 2.569 20 10 FFCDRN COC(=O)/C=C/c1ccc(N2CCC[C@@H](c3ccncn3)C2)c([N+](=O)[O-])c1 ZINC000364410022 512107109 /nfs/dbraw/zinc/10/71/09/512107109.db2.gz AQJBYAIWPSEIFO-KEDPEKRHSA-N 0 0 368.393 2.955 20 10 FFCDRN COc1ccc(CNC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c(O)c1 ZINC000373707388 512466682 /nfs/dbraw/zinc/46/66/82/512466682.db2.gz ROYPQAYFISDKBK-OAHLLOKOSA-N 0 0 374.462 2.773 20 10 FFCDRN O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(-n2ccnc2)nc1 ZINC000369591730 512500600 /nfs/dbraw/zinc/50/06/00/512500600.db2.gz NJYAAMQUXFSLHF-UHFFFAOYSA-N 0 0 374.448 2.643 20 10 FFCDRN CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1O ZINC000375823216 512525781 /nfs/dbraw/zinc/52/57/81/512525781.db2.gz JGWDUACDZNTOTH-WMZOPIPTSA-N 0 0 361.417 2.556 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@@]23CCOC3)cc1 ZINC000372053641 512695851 /nfs/dbraw/zinc/69/58/51/512695851.db2.gz PQKMSKQKIKHKDG-IRFCIJBXSA-N 0 0 358.482 2.687 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCO[C@@H](c2ncon2)C1 ZINC000372197296 512756843 /nfs/dbraw/zinc/75/68/43/512756843.db2.gz NFQCYFSKOVJREY-CQSZACIVSA-N 0 0 358.423 2.752 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N[C@@H]3CCc4c[nH]nc4C3)ccc21 ZINC000374556715 512890803 /nfs/dbraw/zinc/89/08/03/512890803.db2.gz AKKAEPJUVYKNIZ-QGZVFWFLSA-N 0 0 366.465 2.915 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(C(=O)CC2CCCC2)CC1 ZINC000370368714 512897282 /nfs/dbraw/zinc/89/72/82/512897282.db2.gz WMHHTQDZEOTFKN-VQHVLOKHSA-N 0 0 372.465 2.752 20 10 FFCDRN CN1C(=O)/C(=C\c2cnn(CC(F)F)c2)c2cc(Br)cnc21 ZINC000368354403 512911933 /nfs/dbraw/zinc/91/19/33/512911933.db2.gz IBFJRWDYAXUIJL-FUQNDXKWSA-N 0 0 369.169 2.823 20 10 FFCDRN CC[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1cccc(Cl)c1[O-] ZINC000376902503 513040150 /nfs/dbraw/zinc/04/01/50/513040150.db2.gz JBKBYQVWPKVLTD-CDNVCLAFSA-N 0 0 365.861 2.807 20 10 FFCDRN CC[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1cccc(Cl)c1[O-] ZINC000376902506 513040209 /nfs/dbraw/zinc/04/02/09/513040209.db2.gz JBKBYQVWPKVLTD-VZSAFFHGSA-N 0 0 365.861 2.807 20 10 FFCDRN Cn1cc(-c2n[nH]cc2C(=O)N2CCc3ccc(Br)cc32)cn1 ZINC000444009652 514099843 /nfs/dbraw/zinc/09/98/43/514099843.db2.gz CLAQOPRSWUWPAG-UHFFFAOYSA-N 0 0 372.226 2.776 20 10 FFCDRN COCCCn1cc(C)c(=NC(=O)NCc2c(C)c3ccccc3n2C)[nH]1 ZINC000455755385 514721396 /nfs/dbraw/zinc/72/13/96/514721396.db2.gz RTLPNHFIYPTCQC-UHFFFAOYSA-N 0 0 369.469 2.772 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N=c1cc(OC(F)F)n(C)[nH]1 ZINC000467991739 515189987 /nfs/dbraw/zinc/18/99/87/515189987.db2.gz AHPKRUJCRPOENS-UHFFFAOYSA-N 0 0 363.368 2.565 20 10 FFCDRN COC(=O)CC1CCN(C(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000472271234 515194359 /nfs/dbraw/zinc/19/43/59/515194359.db2.gz BZLVROJSOZEFEK-UHFFFAOYSA-N 0 0 357.454 2.971 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCCN(CC(F)F)CC1 ZINC000472283583 515202531 /nfs/dbraw/zinc/20/25/31/515202531.db2.gz QRIUBWPIJVAOHV-UHFFFAOYSA-N 0 0 364.440 2.969 20 10 FFCDRN CCN(C(=O)c1ccoc1CC(N)=O)c1ccc(Br)cc1 ZINC000505641840 515619934 /nfs/dbraw/zinc/61/99/34/515619934.db2.gz XSMLSPXHMHDBQA-UHFFFAOYSA-N 0 0 351.200 2.737 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NCc3ncccc3O)ccc21 ZINC000473634259 515697769 /nfs/dbraw/zinc/69/77/69/515697769.db2.gz RKTHBCJJKAACNC-UHFFFAOYSA-N 0 0 353.422 2.935 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O ZINC000478879744 515993900 /nfs/dbraw/zinc/99/39/00/515993900.db2.gz CRSPLJXRYZJPNL-UHFFFAOYSA-N 0 0 362.389 2.692 20 10 FFCDRN COC[C@H](C)n1ccc(=NC(=O)NCc2c(C)c3ccccc3n2C)[nH]1 ZINC000470255452 516186439 /nfs/dbraw/zinc/18/64/39/516186439.db2.gz CTVFPPCVZAAJTF-ZDUSSCGKSA-N 0 0 355.442 2.634 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)Cn1cc(C(N)=O)c2ccccc21 ZINC000547772731 516554478 /nfs/dbraw/zinc/55/44/78/516554478.db2.gz AZWDWMCNIPWZNQ-UHFFFAOYSA-N 0 0 374.444 2.857 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)N3CC(n4ccnc4)C3)ccc21 ZINC000524398460 516709789 /nfs/dbraw/zinc/70/97/89/516709789.db2.gz KPPCSHUXQYBZFD-UHFFFAOYSA-N 0 0 352.438 2.798 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C[C@H](NC(N)=O)c1ccccc1 ZINC000527183975 517548494 /nfs/dbraw/zinc/54/84/94/517548494.db2.gz UFJPTOJDPGPYKS-KRWDZBQOSA-N 0 0 364.449 2.903 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)Nc3cncc(OC)n3)ccc21 ZINC000521629373 517802819 /nfs/dbraw/zinc/80/28/19/517802819.db2.gz VSLWLFIULLTVTN-UHFFFAOYSA-N 0 0 354.410 2.955 20 10 FFCDRN Cc1cc(-c2nc(Cn3cccn3)no2)ccc1NC(=O)C1=S=CC=C1 ZINC000534689858 518001859 /nfs/dbraw/zinc/00/18/59/518001859.db2.gz COKZEWGUVFFXON-UHFFFAOYSA-N 0 0 365.418 2.506 20 10 FFCDRN COc1ccc(CC(=O)N2CCOc3cc(N(C)C)ccc32)cc1[N+](=O)[O-] ZINC000610311068 520632938 /nfs/dbraw/zinc/63/29/38/520632938.db2.gz UKOQAMPLVCWUGX-UHFFFAOYSA-N 0 0 371.393 2.638 20 10 FFCDRN COc1cccc([C@@H](OC)C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC000611656512 521266948 /nfs/dbraw/zinc/26/69/48/521266948.db2.gz DBSYBLFEBMSKIW-LJQANCHMSA-N 0 0 356.422 2.874 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)N2Cc3cnn(C)c3C2)CCCC1 ZINC000623251959 521885469 /nfs/dbraw/zinc/88/54/69/521885469.db2.gz ABRCAWLISZBNNK-UHFFFAOYSA-N 0 0 364.449 2.805 20 10 FFCDRN CN(C)c1ccc(CNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)cc1 ZINC000736778130 599039104 /nfs/dbraw/zinc/03/91/04/599039104.db2.gz BANXUOVJBMAMIX-UHFFFAOYSA-N 0 0 363.347 2.959 20 10 FFCDRN CCCN(Cc1ccccc1O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000821109229 607304982 /nfs/dbraw/zinc/30/49/82/607304982.db2.gz DGTBTVHRZANNBV-UHFFFAOYSA-N 0 0 354.370 2.897 20 10 FFCDRN O=C([O-])c1cccc(C[NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000821552812 598203068 /nfs/dbraw/zinc/20/30/68/598203068.db2.gz TYTQZHKRMAZUSY-UHFFFAOYSA-N 0 0 358.413 2.775 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(-c3nn[nH]n3)cn2)cc1 ZINC000737327801 598806335 /nfs/dbraw/zinc/80/63/35/598806335.db2.gz BCEIFOMDLZETPA-UHFFFAOYSA-N 0 0 359.393 2.922 20 10 FFCDRN O=C([O-])c1cc2ccccc2c(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)c1O ZINC000833307404 600714965 /nfs/dbraw/zinc/71/49/65/600714965.db2.gz JBHAMFFYEOZUPI-MRXNPFEDSA-N 0 0 370.449 2.540 20 10 FFCDRN COc1ccccc1[C@@H](C[NH2+]Cc1ccc(N(C)C)c(F)c1)NC(=O)[O-] ZINC000739965049 602874992 /nfs/dbraw/zinc/87/49/92/602874992.db2.gz VFHDGRDSPJIEMX-MRXNPFEDSA-N 0 0 361.417 2.999 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(OC)c(-c3nn[nH]n3)c2)c(OC)c1 ZINC000826209383 607753903 /nfs/dbraw/zinc/75/39/03/607753903.db2.gz ZNUPXCUAIZPBPS-UHFFFAOYSA-N 0 0 355.398 2.529 20 10 FFCDRN O=C([O-])N1CCC[C@H]1[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000834107760 605467585 /nfs/dbraw/zinc/46/75/85/605467585.db2.gz OCVPCPCKIYMJKO-QUCCMNQESA-N 0 0 373.497 2.878 20 10 FFCDRN COc1cc(O)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)cc1OC ZINC000833888178 605500262 /nfs/dbraw/zinc/50/02/62/605500262.db2.gz WEVBYBXSYVCQEP-HIFRSBDPSA-N 0 0 364.442 2.764 20 10 FFCDRN O=C([O-])NCCCOC1CC[NH+](Cc2cc3c(cc2O)CCCC3)CC1 ZINC000834237732 605501527 /nfs/dbraw/zinc/50/15/27/605501527.db2.gz BPJOYAKNFOXIAI-UHFFFAOYSA-N 0 0 362.470 2.910 20 10 FFCDRN O=C([O-])NC[C@@H]1CC[N@H+](Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000834226314 605573273 /nfs/dbraw/zinc/57/32/73/605573273.db2.gz VXZOBGRWQPBVLR-HNNXBMFYSA-N 0 0 362.430 2.675 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000821222734 606536442 /nfs/dbraw/zinc/53/64/42/606536442.db2.gz YAWVWGCHXBEEBN-UHFFFAOYSA-N 0 0 356.455 2.657 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2ccc(C(F)(F)F)[nH]c2=O)c1 ZINC000153880339 728790523 /nfs/dbraw/zinc/79/05/23/728790523.db2.gz PAYHGBSAXAMPBM-MRVPVSSYSA-N 0 0 356.300 2.599 20 10 FFCDRN COc1ccc(N2CCN(CCNc3ccc([N+](=O)[O-])s3)CC2)cc1 ZINC000742926928 735263508 /nfs/dbraw/zinc/26/35/08/735263508.db2.gz ZLBQOSSWHDTKEU-UHFFFAOYSA-N 0 0 362.455 2.899 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)COC1CCOCC1 ZINC000743808515 735320739 /nfs/dbraw/zinc/32/07/39/735320739.db2.gz ZEOVGHGBWQXWKQ-UHFFFAOYSA-N 0 0 372.259 2.699 20 10 FFCDRN CN(c1cccc(C[NH2+]Cc2cc(Cl)cc(F)c2[O-])c1)S(C)(=O)=O ZINC000898287107 735336687 /nfs/dbraw/zinc/33/66/87/735336687.db2.gz RBGURYKICRKCDO-UHFFFAOYSA-N 0 0 372.849 2.870 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCOC2CCSCC2)c1 ZINC000899070800 735442650 /nfs/dbraw/zinc/44/26/50/735442650.db2.gz HFBAXNNNWNPSNR-GFCCVEGCSA-N 0 0 354.472 2.673 20 10 FFCDRN C[C@H](NC(=O)c1nn2c(c1Br)CCC2)c1ccccc1O ZINC000899181623 735457202 /nfs/dbraw/zinc/45/72/02/735457202.db2.gz IHEMYHIJMAGTCB-VIFPVBQESA-N 0 0 350.216 2.788 20 10 FFCDRN COC(=O)[C@]12CCC[C@H]1N(C(=O)c1cc3cc(O)c(O)cc3s1)CC2 ZINC000899197217 735458583 /nfs/dbraw/zinc/45/85/83/735458583.db2.gz CGZCNLUENACOHM-QAPCUYQASA-N 0 0 361.419 2.870 20 10 FFCDRN CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)NC(C)C ZINC000006973111 727788424 /nfs/dbraw/zinc/78/84/24/727788424.db2.gz ZKQYLRJPXRACTP-UHFFFAOYSA-N 0 0 361.467 2.958 20 10 FFCDRN COC(=O)CCCNC(=S)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000007404450 727793038 /nfs/dbraw/zinc/79/30/38/727793038.db2.gz PHRBQXQGFCIRDE-UHFFFAOYSA-N 0 0 363.527 2.936 20 10 FFCDRN CC(=O)CSCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000746138047 735465225 /nfs/dbraw/zinc/46/52/25/735465225.db2.gz FNEWZAKVYLIRNP-UHFFFAOYSA-N 0 0 353.399 2.723 20 10 FFCDRN O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cccc2nsnc21 ZINC000030419065 727902804 /nfs/dbraw/zinc/90/28/04/727902804.db2.gz ZOJFYSFBMUQDRI-UHFFFAOYSA-N 0 0 374.491 2.770 20 10 FFCDRN O=C(CN(Cc1ccccc1O)C[C@H]1CCCO1)NCc1cccs1 ZINC000070976213 728207246 /nfs/dbraw/zinc/20/72/46/728207246.db2.gz XHTBSASGBLTHFJ-MRXNPFEDSA-N 0 0 360.479 2.751 20 10 FFCDRN Nc1c(C(=O)NCCCSc2nccs2)cc(F)cc1[N+](=O)[O-] ZINC000074135985 728231841 /nfs/dbraw/zinc/23/18/41/728231841.db2.gz XNYSZWOZUDKXPF-UHFFFAOYSA-N 0 0 356.404 2.685 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCC(C(F)(F)F)CC2)cc1 ZINC000075969301 728253405 /nfs/dbraw/zinc/25/34/05/728253405.db2.gz ILTUOOSJQCKNIU-UHFFFAOYSA-N 0 0 357.420 2.985 20 10 FFCDRN CSCCCCNC(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000077792227 728285590 /nfs/dbraw/zinc/28/55/90/728285590.db2.gz UOFJWRXDCOWKOE-UHFFFAOYSA-N 0 0 365.543 2.838 20 10 FFCDRN CC(C)Cn1cnc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)c1 ZINC000080637431 728330018 /nfs/dbraw/zinc/33/00/18/728330018.db2.gz JUTHBIJVAHLTSF-UHFFFAOYSA-N 0 0 362.499 2.618 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2cccnc2OCC(F)F)c1 ZINC000089817272 728446558 /nfs/dbraw/zinc/44/65/58/728446558.db2.gz NCZPVFNPRRBIIG-SNVBAGLBSA-N 0 0 352.337 2.931 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)N1CCOC[C@@H]1C1CC1 ZINC000089890481 728447393 /nfs/dbraw/zinc/44/73/93/728447393.db2.gz YMNMVDXVNAWVIC-GOSISDBHSA-N 0 0 361.511 2.560 20 10 FFCDRN CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CC2CC2)c2ccccc2)c1 ZINC000092426559 728467289 /nfs/dbraw/zinc/46/72/89/728467289.db2.gz VJCJNZCHUUYCNZ-UHFFFAOYSA-N 0 0 360.435 2.821 20 10 FFCDRN CCN(CC)C(=O)[C@H]1CCCN1Cc1cc(Br)ccc1O ZINC000092509647 728468149 /nfs/dbraw/zinc/46/81/49/728468149.db2.gz BXWZRKMJGUUNHI-CQSZACIVSA-N 0 0 355.276 2.988 20 10 FFCDRN CCOCCN(CC)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000107835874 728518161 /nfs/dbraw/zinc/51/81/61/728518161.db2.gz XDYYAVPIUCTIRS-UHFFFAOYSA-N 0 0 351.516 2.808 20 10 FFCDRN COc1cccc(CNC(=O)C(=O)c2ccc(Br)cc2)c1O ZINC000114538837 728561268 /nfs/dbraw/zinc/56/12/68/728561268.db2.gz ROXBGWOOWGNUAJ-UHFFFAOYSA-N 0 0 364.195 2.662 20 10 FFCDRN Cc1nc(Cl)cc(NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1 ZINC000116497671 728571843 /nfs/dbraw/zinc/57/18/43/728571843.db2.gz RIVSZMRDVHNEFN-AWEZNQCLSA-N 0 0 359.861 2.752 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)CCn2c(C)c(C)sc2=O)c1 ZINC000118785907 728584605 /nfs/dbraw/zinc/58/46/05/728584605.db2.gz RLYNIHXNKREYJK-JTQLQIEISA-N 0 0 350.440 2.508 20 10 FFCDRN O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(F)c(Br)c1 ZINC000747147983 735538522 /nfs/dbraw/zinc/53/85/22/735538522.db2.gz LKIKGLBASHCQHQ-XYOKQWHBSA-N 0 0 371.231 2.891 20 10 FFCDRN CN(C)c1ccc(CNC(=O)c2cnc(-c3ncccn3)s2)cc1F ZINC000122197706 728645113 /nfs/dbraw/zinc/64/51/13/728645113.db2.gz NWSNCZWDPCAKFE-UHFFFAOYSA-N 0 0 357.414 2.735 20 10 FFCDRN O=C([C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1)N1CCOCC1 ZINC000124480210 728670971 /nfs/dbraw/zinc/67/09/71/728670971.db2.gz JLPITLVCYDUYSR-LBPRGKRZSA-N 0 0 373.280 2.770 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cncc(Br)c2)c1O ZINC000126496531 728703828 /nfs/dbraw/zinc/70/38/28/728703828.db2.gz WFOHCRCOOIRRGK-UHFFFAOYSA-N 0 0 352.188 2.880 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCCN1C(=O)CSC1=O ZINC000130012824 728714545 /nfs/dbraw/zinc/71/45/45/728714545.db2.gz IGBDUUWLVOHKSC-UHFFFAOYSA-N 0 0 363.464 2.581 20 10 FFCDRN CNC(=O)c1ccc(NC(=O)NCCCSc2nccs2)cc1 ZINC000130049824 728714758 /nfs/dbraw/zinc/71/47/58/728714758.db2.gz OWFDXJNEZJACAL-UHFFFAOYSA-N 0 0 350.469 2.807 20 10 FFCDRN CC[C@H]1CN(C(=O)NCc2ccc(N(C)C)cc2)CCN1CC(F)F ZINC000133271626 728726583 /nfs/dbraw/zinc/72/65/83/728726583.db2.gz BXZXKTWDIQKXKN-HNNXBMFYSA-N 0 0 354.445 2.624 20 10 FFCDRN COc1ccc(N(C)Cc2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1 ZINC000133355970 728726777 /nfs/dbraw/zinc/72/67/77/728726777.db2.gz VQAJEYKPYYLBGK-UHFFFAOYSA-N 0 0 364.467 2.591 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000134613975 728731440 /nfs/dbraw/zinc/73/14/40/728731440.db2.gz DDLUJFQCPWMIHM-SECBINFHSA-N 0 0 366.776 2.576 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCC[C@H](C)[S@](C)=O)c2C)cc1 ZINC000134630206 728731626 /nfs/dbraw/zinc/73/16/26/728731626.db2.gz DPTYCBJIKDAHND-HWRSSNJWSA-N 0 0 362.495 2.990 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000136648876 728739799 /nfs/dbraw/zinc/73/97/99/728739799.db2.gz DDELXGDEFAKOKM-UHFFFAOYSA-N 0 0 366.215 2.517 20 10 FFCDRN C[C@H](NC(=O)N(C)Cc1cscn1)c1ccc(N2CCOCC2)cc1 ZINC000140915757 728741661 /nfs/dbraw/zinc/74/16/61/728741661.db2.gz JGHKXBLAIUZJKT-AWEZNQCLSA-N 0 0 360.483 2.882 20 10 FFCDRN CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000171636122 729009598 /nfs/dbraw/zinc/00/95/98/729009598.db2.gz KKCLRIRTAJGOCS-SFHVURJKSA-N 0 0 363.527 2.950 20 10 FFCDRN CN(CC(=O)Nc1ccc2c(c1)OC(F)(F)O2)Cc1ccccc1O ZINC000171926463 729015859 /nfs/dbraw/zinc/01/58/59/729015859.db2.gz RZQAFHLPNOGBNR-UHFFFAOYSA-N 0 0 350.321 2.784 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2cccc3cccnc32)cc1F ZINC000172203139 729021548 /nfs/dbraw/zinc/02/15/48/729021548.db2.gz WSNJWUPCOOMUTA-UHFFFAOYSA-N 0 0 359.426 2.918 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C(=O)NCC2(CS(C)(=O)=O)CC2)cc1 ZINC000177226934 729132508 /nfs/dbraw/zinc/13/25/08/729132508.db2.gz ZOJLLWZVDLZLSP-UHFFFAOYSA-N 0 0 360.479 2.649 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)c2ccc(Cl)nc2Cl)c1 ZINC000178759674 729169121 /nfs/dbraw/zinc/16/91/21/729169121.db2.gz XNJKFSQSWZEJPR-UHFFFAOYSA-N 0 0 363.222 2.581 20 10 FFCDRN Cc1ccc(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3)C2=O)c(O)c1O ZINC000179511930 729187676 /nfs/dbraw/zinc/18/76/76/729187676.db2.gz QOFWCHDDTKMJRF-AWEZNQCLSA-N 0 0 360.797 2.595 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)c2ccc(C(F)(F)F)nc2)cc1 ZINC000181861374 729259945 /nfs/dbraw/zinc/25/99/45/729259945.db2.gz UTRQMZXDXSYBGP-UHFFFAOYSA-N 0 0 359.373 2.645 20 10 FFCDRN C[C@](O)(C(=O)NCc1ccc(O)c(O)c1)c1cccc(C(F)(F)F)c1 ZINC000778923113 738421387 /nfs/dbraw/zinc/42/13/87/738421387.db2.gz LBJVGMPBSXJKPJ-MRXNPFEDSA-N 0 0 355.312 2.641 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)c1ccc(Cl)c(N2CCCC2=O)c1 ZINC000778926810 738421611 /nfs/dbraw/zinc/42/16/11/738421611.db2.gz YKQWVHFAWLFJIB-UHFFFAOYSA-N 0 0 360.797 2.808 20 10 FFCDRN Cc1cc(S(=O)(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(C)o1 ZINC000183202553 729297860 /nfs/dbraw/zinc/29/78/60/729297860.db2.gz NJEPQZAFDJEUFO-INIZCTEOSA-N 0 0 365.451 2.972 20 10 FFCDRN C[NH+]1CCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000183368839 729302717 /nfs/dbraw/zinc/30/27/17/729302717.db2.gz NWOGJOLIPNNGFG-UHFFFAOYSA-N 0 0 364.081 2.665 20 10 FFCDRN COC[C@@H](C)n1ccc(NC(=O)NCCCSc2nccs2)n1 ZINC000189941053 729403860 /nfs/dbraw/zinc/40/38/60/729403860.db2.gz IMFSDURXJAHBDN-LLVKDONJSA-N 0 0 355.489 2.851 20 10 FFCDRN Cc1cccc(C[C@H](CO)NC(=O)NCCCSc2nccs2)c1 ZINC000190249284 729406130 /nfs/dbraw/zinc/40/61/30/729406130.db2.gz ISBTYEDRLCYVBD-OAHLLOKOSA-N 0 0 365.524 2.837 20 10 FFCDRN CCN(C)c1ccc(/C=C2/SC(=S)N(Cc3ccon3)C2=O)cn1 ZINC000190403862 729408137 /nfs/dbraw/zinc/40/81/37/729408137.db2.gz BIWJPJWSAZWNCA-MDWZMJQESA-N 0 0 360.464 2.927 20 10 FFCDRN Nc1ccc(CC(=O)N2CCN(Cc3c(F)cccc3Cl)CC2)cc1 ZINC000237891561 729564827 /nfs/dbraw/zinc/56/48/27/729564827.db2.gz OSRQCBMYKFYKNF-UHFFFAOYSA-N 0 0 361.848 2.948 20 10 FFCDRN O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)[C@H]1CCCCO1 ZINC000246152614 729581424 /nfs/dbraw/zinc/58/14/24/729581424.db2.gz FEDQDQIWUJKTSI-CZUORRHYSA-N 0 0 354.397 2.942 20 10 FFCDRN CCn1cc(N2C(=O)/C(=C/c3cnn4ccccc34)SC2=S)cn1 ZINC000255324031 729636558 /nfs/dbraw/zinc/63/65/58/729636558.db2.gz PPTQROCXXHPVBF-AUWJEWJLSA-N 0 0 355.448 2.957 20 10 FFCDRN CNC(=O)c1cncc(/C=C\C(=O)N2C[C@H](C)Sc3ccccc32)c1 ZINC000255893381 729648515 /nfs/dbraw/zinc/64/85/15/729648515.db2.gz RMHVBXMZVVHTRY-WSROAFLRSA-N 0 0 353.447 2.982 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1coc(Br)c1 ZINC000299100297 729730923 /nfs/dbraw/zinc/73/09/23/729730923.db2.gz MBCKNONMZDFJIH-UHFFFAOYSA-N 0 0 365.227 2.809 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)N[C@H](CO)CC(F)F)c2C)cc1 ZINC000760676347 736660040 /nfs/dbraw/zinc/66/00/40/736660040.db2.gz INLVJQQSSIKTTK-ZDUSSCGKSA-N 0 0 352.381 2.849 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1scnc1C1CC1 ZINC000856212231 730316131 /nfs/dbraw/zinc/31/61/31/730316131.db2.gz ISCWIFHTWPGKLA-UHFFFAOYSA-N 0 0 357.479 2.912 20 10 FFCDRN CN(CC(=O)Nc1ccccc1Cl)C(=O)/C=C\c1ccc(O)c(O)c1 ZINC000779488970 738467680 /nfs/dbraw/zinc/46/76/80/738467680.db2.gz KIEUWOUTEFWQLB-CLFYSBASSA-N 0 0 360.797 2.862 20 10 FFCDRN C[C@@H](CCNC(=O)N(C)Cc1ccccc1O)NC(=O)OC(C)(C)C ZINC000856991786 730371280 /nfs/dbraw/zinc/37/12/80/730371280.db2.gz PPEMZLJEIVZAHU-ZDUSSCGKSA-N 0 0 351.447 2.837 20 10 FFCDRN COc1cc(Cl)cc(CN[C@H]2CS(=O)(=O)Cc3ccccc32)c1O ZINC000857057544 730376584 /nfs/dbraw/zinc/37/65/84/730376584.db2.gz AMCGDHNYCGAGSU-HNNXBMFYSA-N 0 0 367.854 2.814 20 10 FFCDRN Cc1ccc(C(=O)NCc2cc(Cl)ccc2O)cc1NS(C)(=O)=O ZINC000857547806 730399219 /nfs/dbraw/zinc/39/92/19/730399219.db2.gz UXPIUXBQWYROEE-UHFFFAOYSA-N 0 0 368.842 2.656 20 10 FFCDRN Nc1ccc(CCNC(=O)c2nc(C3CC3)ncc2Br)cc1 ZINC000857765416 730409435 /nfs/dbraw/zinc/40/94/35/730409435.db2.gz QRHCZJAZNVQYJL-UHFFFAOYSA-N 0 0 361.243 2.671 20 10 FFCDRN CNS(=O)(=O)c1cccc(NCc2cc(F)c(N(C)C)cc2F)c1C ZINC000858162800 730418308 /nfs/dbraw/zinc/41/83/08/730418308.db2.gz NKQOJIIZQNCXIO-UHFFFAOYSA-N 0 0 369.437 2.859 20 10 FFCDRN CN(C)c1cc(F)c(CNCc2ccccc2S(C)(=O)=O)cc1F ZINC000858178365 730418860 /nfs/dbraw/zinc/41/88/60/730418860.db2.gz NCCRNJMRLWWQOC-UHFFFAOYSA-N 0 0 354.422 2.724 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@H]3C[C@@]3(C)Br)CC2)cc1 ZINC000858667553 730431150 /nfs/dbraw/zinc/43/11/50/730431150.db2.gz SKNUAKBPETZGBK-NVXWUHKLSA-N 0 0 367.287 2.907 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)[C@H]3C[C@]3(C)Br)CC2)cc1 ZINC000858667557 730431155 /nfs/dbraw/zinc/43/11/55/730431155.db2.gz SKNUAKBPETZGBK-WBVHZDCISA-N 0 0 367.287 2.907 20 10 FFCDRN C[C@H](NC(=O)c1ocnc1C(F)F)c1ccc(N2CCOCC2)cc1 ZINC000858787036 730433772 /nfs/dbraw/zinc/43/37/72/730433772.db2.gz WUTNFYZYSWMAIF-NSHDSACASA-N 0 0 351.353 2.940 20 10 FFCDRN Cc1cc(CNS(=O)(=O)C[C@@H]2CCOC2)c(C)n1-c1cccc(C)c1 ZINC000859363477 730452073 /nfs/dbraw/zinc/45/20/73/730452073.db2.gz ZIYOWXZRTMWNRZ-QGZVFWFLSA-N 0 0 362.495 2.858 20 10 FFCDRN CSC[C@](C)(O)CNC(=O)c1ccccc1-n1c(C)cc(C=O)c1C ZINC000859507000 730456887 /nfs/dbraw/zinc/45/68/87/730456887.db2.gz DTOSRCSYPVCNQJ-LJQANCHMSA-N 0 0 360.479 2.750 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@@H]([C@H](F)C(=O)NCc2ccccc2O)C1 ZINC000860234309 730492244 /nfs/dbraw/zinc/49/22/44/730492244.db2.gz RUIPKMNFYKGBLS-HIFRSBDPSA-N 0 0 352.406 2.604 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@H](C)C[S@@](C)=O)ccc1C ZINC000860761982 730544938 /nfs/dbraw/zinc/54/49/38/730544938.db2.gz YNNURSRSEBFHFX-YMXBGEKHSA-N 0 0 360.479 2.712 20 10 FFCDRN C[C@@H](NC(=O)/C=C\c1ccc(S(C)(=O)=O)o1)c1ccc(N(C)C)cc1 ZINC000860950667 730561313 /nfs/dbraw/zinc/56/13/13/730561313.db2.gz QBAHCXGOOXWZEY-PRWOLLLXSA-N 0 0 362.451 2.640 20 10 FFCDRN CC(C)[C@H](NC=O)C(=O)NCc1ccc(N2CCC[C@H](C)C2)c(Cl)c1 ZINC000861537997 730622531 /nfs/dbraw/zinc/62/25/31/730622531.db2.gz JZESVNPUNQTDLL-KSSFIOAISA-N 0 0 365.905 2.963 20 10 FFCDRN Cc1ccnc(NC(=O)CN(C)Cc2c(O)cccc2Br)c1 ZINC000862237481 730679696 /nfs/dbraw/zinc/67/96/96/730679696.db2.gz QJDRFFFXTWZHAL-UHFFFAOYSA-N 0 0 364.243 2.929 20 10 FFCDRN CN(C)c1cc(F)c(CN[C@H](c2nccn2C)C(C)(C)CO)cc1F ZINC000862384702 730695224 /nfs/dbraw/zinc/69/52/24/730695224.db2.gz HMWWHSKIVLYCQT-MRXNPFEDSA-N 0 0 352.429 2.614 20 10 FFCDRN CNC(=O)[C@]1(C(F)(F)F)CCN(Cc2cc(F)c(N(C)C)cc2F)C1 ZINC000862399774 730697312 /nfs/dbraw/zinc/69/73/12/730697312.db2.gz BTRUPZDCTAFUSC-HNNXBMFYSA-N 0 0 365.346 2.531 20 10 FFCDRN Cc1cc(S(N)(=O)=O)cc(NCc2ccc(N(C)C)c(F)c2)c1C ZINC000863985832 730819300 /nfs/dbraw/zinc/81/93/00/730819300.db2.gz OEDZOFFUHUZKHM-UHFFFAOYSA-N 0 0 351.447 2.768 20 10 FFCDRN Nc1c(Cl)cc(N2C(=O)N[C@@H](C[C@@H]3CCCOC3)C2=O)cc1Cl ZINC000864558689 730860241 /nfs/dbraw/zinc/86/02/41/730860241.db2.gz YEIQPHOENLOPIY-UFBFGSQYSA-N 0 0 358.225 2.817 20 10 FFCDRN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCCCSc1nccs1 ZINC000769515964 737538344 /nfs/dbraw/zinc/53/83/44/737538344.db2.gz GHQVCWWWLXHBCA-LLVKDONJSA-N 0 0 374.532 2.838 20 10 FFCDRN O=C(Cc1csc(CCC(F)(F)F)n1)NCc1ccc(O)c(O)c1 ZINC000866769674 731097476 /nfs/dbraw/zinc/09/74/76/731097476.db2.gz ODXZOBQTAWYOIQ-UHFFFAOYSA-N 0 0 360.357 2.908 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCC(CCF)CC1 ZINC000867423968 731182549 /nfs/dbraw/zinc/18/25/49/731182549.db2.gz NFPQBDUWEGMYMZ-UHFFFAOYSA-N 0 0 350.434 2.729 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1ncc2n1CCCC2 ZINC000867831391 731231684 /nfs/dbraw/zinc/23/16/84/731231684.db2.gz XWJFBQBMYASTJT-UHFFFAOYSA-N 0 0 350.216 2.618 20 10 FFCDRN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)N[C@H](C)c1ccccc1O ZINC000867833967 731231994 /nfs/dbraw/zinc/23/19/94/731231994.db2.gz AYEPHPTVFAOPFJ-GFCCVEGCSA-N 0 0 351.472 2.901 20 10 FFCDRN COCCOc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2O)cc1C ZINC000867834630 731232178 /nfs/dbraw/zinc/23/21/78/731232178.db2.gz SOXCOOYNAYNKKY-CQSZACIVSA-N 0 0 365.451 2.765 20 10 FFCDRN CCOC(=O)Cc1cccc(S(=O)(=O)N[C@@H](C)c2ccccc2O)c1 ZINC000867836059 731232463 /nfs/dbraw/zinc/23/24/63/731232463.db2.gz CPFZELSPOVPZAQ-ZDUSSCGKSA-N 0 0 363.435 2.537 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)NCc2nn(C)cc2C(F)F)cc1 ZINC000869109069 731364435 /nfs/dbraw/zinc/36/44/35/731364435.db2.gz YJVJCKAYZBYPAP-UHFFFAOYSA-N 0 0 351.401 2.765 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccc(OC(F)(F)F)cc1C(F)(F)F ZINC000870026598 731463494 /nfs/dbraw/zinc/46/34/94/731463494.db2.gz ZPBSNEPLTDNOSW-UHFFFAOYSA-N 0 0 358.190 2.919 20 10 FFCDRN Nc1ccc(Cl)c(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1 ZINC000870956892 731580842 /nfs/dbraw/zinc/58/08/42/731580842.db2.gz OALJTXFQTVPYJA-UHFFFAOYSA-N 0 0 359.857 2.813 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C[C@@H]1CCCS1(=O)=O ZINC000873862828 731974266 /nfs/dbraw/zinc/97/42/66/731974266.db2.gz YOSVHHLWLLKWIJ-SFHVURJKSA-N 0 0 364.511 2.603 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N1CCO[C@@H](C(F)F)CC1 ZINC000875099506 732127865 /nfs/dbraw/zinc/12/78/65/732127865.db2.gz RQBNKVOKKNVZGH-MRXNPFEDSA-N 0 0 353.413 2.852 20 10 FFCDRN CC(C)(CNC(=O)NCCCSc1nccs1)C(=O)N1CCCC1 ZINC000875374850 732149281 /nfs/dbraw/zinc/14/92/81/732149281.db2.gz RSQJMQWHJMJXPV-UHFFFAOYSA-N 0 0 370.544 2.573 20 10 FFCDRN C[C@H](NC(=O)N[C@@H](CS(C)(=O)=O)c1ccccc1)c1ccccc1O ZINC000875454142 732156968 /nfs/dbraw/zinc/15/69/68/732156968.db2.gz VPAMCGXPRXNSEY-BBRMVZONSA-N 0 0 362.451 2.538 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(F)c(F)c1[O-])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000876950137 732301952 /nfs/dbraw/zinc/30/19/52/732301952.db2.gz GFITWVLLZOQMAH-NSHDSACASA-N 0 0 370.421 2.772 20 10 FFCDRN Cc1cccc(O)c1CN1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1 ZINC000877650524 732406249 /nfs/dbraw/zinc/40/62/49/732406249.db2.gz RVMZMJVKZKKRCX-LJQANCHMSA-N 0 0 361.463 2.678 20 10 FFCDRN COc1cc(Br)cc(CN2CCCC[C@H]2CNC(C)=O)c1O ZINC000877675150 732410113 /nfs/dbraw/zinc/41/01/13/732410113.db2.gz QFRHYRKIEWAUGR-AWEZNQCLSA-N 0 0 371.275 2.654 20 10 FFCDRN C[C@]12CN(Cc3ccc(N4CCCCC4)cc3)C[C@@]1(C)CS(=O)(=O)C2 ZINC000877815158 732439173 /nfs/dbraw/zinc/43/91/73/732439173.db2.gz QBUAIHFJQXEYEH-BGYRXZFFSA-N 0 0 362.539 2.934 20 10 FFCDRN CCOC(=O)c1ncc(CN2CCN(c3ccc(OC)cc3)CC2)s1 ZINC000877911920 732450801 /nfs/dbraw/zinc/45/08/01/732450801.db2.gz UNNJNMAGJWGSKK-UHFFFAOYSA-N 0 0 361.467 2.651 20 10 FFCDRN C[C@H](NC(=O)Nc1ccc(CCS(C)(=O)=O)cc1)c1ccccc1O ZINC000878995130 732628427 /nfs/dbraw/zinc/62/84/27/732628427.db2.gz KYZANMXCJNISMH-ZDUSSCGKSA-N 0 0 362.451 2.862 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)NCCc2nc3c(s2)CCC3)c1 ZINC000926577814 738632705 /nfs/dbraw/zinc/63/27/05/738632705.db2.gz LDFDRYDXEONITA-LLVKDONJSA-N 0 0 361.467 2.949 20 10 FFCDRN COC(=O)[C@@H](N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)C1CC1 ZINC000781594451 738639135 /nfs/dbraw/zinc/63/91/35/738639135.db2.gz MVOHDYJDUYHJJQ-CJNGLKHVSA-N 0 0 354.397 2.798 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)Nc1cc(S(C)(=O)=O)ccn1 ZINC000880591963 732928940 /nfs/dbraw/zinc/92/89/40/732928940.db2.gz MKTGQXLLEHQYJI-UHFFFAOYSA-N 0 0 363.439 2.635 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2 ZINC000881803562 733111844 /nfs/dbraw/zinc/11/18/44/733111844.db2.gz ZSADMTIVZOXEPU-RCCFBDPRSA-N 0 0 352.500 2.613 20 10 FFCDRN CN(C)c1ccc(CNS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)cc1F ZINC000881840917 733117710 /nfs/dbraw/zinc/11/77/10/733117710.db2.gz FLSLEWGTYPKHHM-ZDUSSCGKSA-N 0 0 350.406 2.602 20 10 FFCDRN CC1CCN(c2ccc(CNS(=O)(=O)[C@H]3CCOC[C@@H]3C)cc2)CC1 ZINC000881871235 733124490 /nfs/dbraw/zinc/12/44/90/733124490.db2.gz LKHWSKXZZDBKME-LPHOPBHVSA-N 0 0 366.527 2.767 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCc2nnn(C)c2C1)c1cc(Br)cc(F)c1[O-] ZINC000927142487 738695941 /nfs/dbraw/zinc/69/59/41/738695941.db2.gz CLUCDIDFQGESKH-WCBMZHEXSA-N 0 0 369.238 2.630 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]CCCOC[C@H]1CCCO1 ZINC000882880731 733306402 /nfs/dbraw/zinc/30/64/02/733306402.db2.gz GKHZZMIJJARKEL-CYBMUJFWSA-N 0 0 362.239 2.969 20 10 FFCDRN Cc1ccc([C@@H](C[NH2+]Cc2cc(F)cc(F)c2[O-])N2CCOCC2)o1 ZINC000882881686 733307218 /nfs/dbraw/zinc/30/72/18/733307218.db2.gz YUNFEIBXGIRBLB-MRXNPFEDSA-N 0 0 352.381 2.735 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H](CO)c1cccnc1 ZINC000883121067 733338043 /nfs/dbraw/zinc/33/80/43/733338043.db2.gz WTQSFESDJARWTO-GFCCVEGCSA-N 0 0 355.207 2.555 20 10 FFCDRN CC[C@H](CO)NC(=O)c1ccc(NCc2cc(F)cc(F)c2O)cc1 ZINC000883142674 733342008 /nfs/dbraw/zinc/34/20/08/733342008.db2.gz QXBFGMKEVDMJGJ-CQSZACIVSA-N 0 0 350.365 2.783 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000883197928 733349533 /nfs/dbraw/zinc/34/95/33/733349533.db2.gz WBXNUFFDCGFONO-CYBMUJFWSA-N 0 0 374.250 2.969 20 10 FFCDRN Cn1cc(Br)c(NCc2ccc(N3CCC(O)CC3)cc2)n1 ZINC000883210836 733351308 /nfs/dbraw/zinc/35/13/08/733351308.db2.gz AJPAGLHOPMFNJZ-UHFFFAOYSA-N 0 0 365.275 2.756 20 10 FFCDRN O=C(NCCc1ccns1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000883844480 733447748 /nfs/dbraw/zinc/44/77/48/733447748.db2.gz IDLMUYOQQCTAJQ-OAHLLOKOSA-N 0 0 361.467 2.782 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@H]2CCCC(C)(C)O2)c1 ZINC000885025191 733612772 /nfs/dbraw/zinc/61/27/72/733612772.db2.gz IEDRNOUVWQTOSP-TZMCWYRMSA-N 0 0 357.472 2.729 20 10 FFCDRN C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)c1c([O-])cccc1F ZINC000886500156 733798792 /nfs/dbraw/zinc/79/87/92/733798792.db2.gz IODIIRXSVILISO-GFCCVEGCSA-N 0 0 352.431 2.632 20 10 FFCDRN CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708210983 734362742 /nfs/dbraw/zinc/36/27/42/734362742.db2.gz JMPVRMRRICCMCL-UHFFFAOYSA-N 0 0 361.667 2.909 20 10 FFCDRN CCn1cc(NC(=S)N(Cc2ccccc2O)C[C@@H]2CCCO2)cn1 ZINC000726121708 734408091 /nfs/dbraw/zinc/40/80/91/734408091.db2.gz INXQPLRKZFLCFN-INIZCTEOSA-N 0 0 360.483 2.987 20 10 FFCDRN Cc1ccc(C(=O)O[C@@H](C)C(=O)NCc2ccccc2Cl)c(O)c1O ZINC000727005080 734459470 /nfs/dbraw/zinc/45/94/70/734459470.db2.gz FRLAOPFHXYUEHI-NSHDSACASA-N 0 0 363.797 2.921 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S ZINC000727175445 734469639 /nfs/dbraw/zinc/46/96/39/734469639.db2.gz BJNQVSYBRDFKRA-QPEQYQDCSA-N 0 0 362.407 2.772 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CSCC(=O)N1CCCCC1 ZINC000727170700 734469820 /nfs/dbraw/zinc/46/98/20/734469820.db2.gz VQXLYEFPWKTMDK-UHFFFAOYSA-N 0 0 364.511 2.877 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)N(C)[C@H](C)C2CC2)cc1 ZINC000727443773 734482661 /nfs/dbraw/zinc/48/26/61/734482661.db2.gz OCFKIEAXEZWSEE-OAHLLOKOSA-N 0 0 353.532 2.940 20 10 FFCDRN CCC(=O)N1CSC[C@@H]1C(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000727989046 734511191 /nfs/dbraw/zinc/51/11/91/734511191.db2.gz PSSITPOWAALFNC-QGZVFWFLSA-N 0 0 363.527 2.801 20 10 FFCDRN C[C@@H]1CSCCCN1C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000892115997 734516990 /nfs/dbraw/zinc/51/69/90/734516990.db2.gz XJLNBZXLSJWFAN-CQSZACIVSA-N 0 0 367.490 2.699 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)CCCNC(=O)c2ccsc2)c1 ZINC000728985077 734552991 /nfs/dbraw/zinc/55/29/91/734552991.db2.gz VVTBVDUERZIONA-LBPRGKRZSA-N 0 0 362.451 2.850 20 10 FFCDRN CC(C)CCS(=O)(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 ZINC000729485140 734579216 /nfs/dbraw/zinc/57/92/16/734579216.db2.gz ZFYKSRNIDLRKCN-HUUCEWRRSA-N 0 0 372.506 2.905 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c1 ZINC000729534932 734582702 /nfs/dbraw/zinc/58/27/02/734582702.db2.gz GERVXZHJWXCOLM-NSHDSACASA-N 0 0 352.431 2.881 20 10 FFCDRN Cc1cc(CC(=O)N[C@@H](C(N)=O)C(C)C)c(C)n1-c1ccc(Cl)cc1 ZINC000730508253 734638696 /nfs/dbraw/zinc/63/86/96/734638696.db2.gz FQRDGSFGVRWTTJ-GOSISDBHSA-N 0 0 361.873 2.916 20 10 FFCDRN COC(=O)CCCNC(=S)NCc1ccc(N2CCC(C)CC2)cc1 ZINC000730952733 734658958 /nfs/dbraw/zinc/65/89/58/734658958.db2.gz CDICYNXUWUDLNZ-UHFFFAOYSA-N 0 0 363.527 2.840 20 10 FFCDRN CCN(CC)c1ccc(CNS(=O)(=O)c2cncc(F)c2)cc1F ZINC000731356801 734675510 /nfs/dbraw/zinc/67/55/10/734675510.db2.gz TVEBVMWGNNJLFH-UHFFFAOYSA-N 0 0 355.410 2.685 20 10 FFCDRN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2O)C1 ZINC000893477953 734706296 /nfs/dbraw/zinc/70/62/96/734706296.db2.gz LQDIYJWNXIHCKZ-PSVOKBTDSA-N 0 0 358.891 2.925 20 10 FFCDRN COC(=O)[C@H]1C[C@@H]2C[C@H](NC(=O)NCCCSc3nccs3)[C@@H]2C1 ZINC000893645780 734732112 /nfs/dbraw/zinc/73/21/12/734732112.db2.gz MQZNAOIHSQDRRZ-XQHKEYJVSA-N 0 0 369.512 2.512 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC(C2OCCO2)CC1 ZINC000893993251 734783642 /nfs/dbraw/zinc/78/36/42/734783642.db2.gz CNEBTKSOEYNMPT-UHFFFAOYSA-N 0 0 360.223 2.879 20 10 FFCDRN COc1ccc(O)c(CNC(=S)NCCCN(C)c2ccccc2)c1 ZINC000733906603 734858338 /nfs/dbraw/zinc/85/83/38/734858338.db2.gz NRJHIFAAQXSIFW-UHFFFAOYSA-N 0 0 359.495 2.891 20 10 FFCDRN O=C(CCNC(=O)c1ccc(F)cc1)NCCCSc1nccs1 ZINC000733972112 734864415 /nfs/dbraw/zinc/86/44/15/734864415.db2.gz AEMUKZVLNXTZLI-UHFFFAOYSA-N 0 0 367.471 2.701 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)NCc1cnc(N(C)C)n1C ZINC000733970489 734864427 /nfs/dbraw/zinc/86/44/27/734864427.db2.gz WTHQBKBGPFGVLX-UHFFFAOYSA-N 0 0 357.483 2.885 20 10 FFCDRN COc1cc(C)cc(CNc2cccc(S(=O)(=O)N(C)C)c2)c1O ZINC000894474601 734865204 /nfs/dbraw/zinc/86/52/04/734865204.db2.gz UWFLYSICYANBHT-UHFFFAOYSA-N 0 0 350.440 2.572 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CCCN(C)C(=O)OC(C)(C)C)c1 ZINC000734016715 734867884 /nfs/dbraw/zinc/86/78/84/734867884.db2.gz ABHPVMHDMYCJGN-UHFFFAOYSA-N 0 0 352.431 2.664 20 10 FFCDRN COCCc1ccc(S(=O)(=O)NCCCSc2nccs2)cc1 ZINC000735315588 734941203 /nfs/dbraw/zinc/94/12/03/734941203.db2.gz XOIJCFPLRVIYPB-UHFFFAOYSA-N 0 0 372.537 2.793 20 10 FFCDRN CN(CCCNC(=O)c1cc2cc(O)c(O)cc2s1)CC(F)(F)F ZINC000895732451 735049666 /nfs/dbraw/zinc/04/96/66/735049666.db2.gz LOIUBFBAAITSBV-UHFFFAOYSA-N 0 0 362.373 2.927 20 10 FFCDRN O=C(NCc1ccccc1O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000740479776 735076028 /nfs/dbraw/zinc/07/60/28/735076028.db2.gz GNBHQFMURPMJBK-OAHLLOKOSA-N 0 0 359.813 2.650 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2cc(C(F)(F)F)on2)c1 ZINC000896159524 735109632 /nfs/dbraw/zinc/10/96/32/735109632.db2.gz IZGFYJPEHNOKQS-QMMMGPOBSA-N 0 0 359.304 2.968 20 10 FFCDRN CCS(=O)(=O)Nc1ccc(NC(=O)N(C)Cc2ccccc2O)cc1 ZINC000741066935 735115041 /nfs/dbraw/zinc/11/50/41/735115041.db2.gz CGKZNXDCDBVJCA-UHFFFAOYSA-N 0 0 363.439 2.818 20 10 FFCDRN Cn1cc(C[C@H]2CCN(C(=O)c3cc4cc(O)c(O)cc4s3)C2)cn1 ZINC000896800955 735184064 /nfs/dbraw/zinc/18/40/64/735184064.db2.gz UYRGOICYUFGETH-LLVKDONJSA-N 0 0 357.435 2.751 20 10 FFCDRN COc1ccc(CN2CCn3c(cnc3C(F)(F)F)C2)c(O)c1OC ZINC000896932366 735188674 /nfs/dbraw/zinc/18/86/74/735188674.db2.gz VRDIOLAALJRWAO-UHFFFAOYSA-N 0 0 357.332 2.641 20 10 FFCDRN [O-]c1c(F)cc(Br)cc1C[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000897259150 735211634 /nfs/dbraw/zinc/21/16/34/735211634.db2.gz YEWWGFOPRZMZAD-CYBMUJFWSA-N 0 0 374.250 2.800 20 10 FFCDRN O=C(c1cc2cc(O)c(O)cc2s1)N1CCOCC2(CCOCC2)C1 ZINC000897376280 735226591 /nfs/dbraw/zinc/22/65/91/735226591.db2.gz SPBVMXQGLDSJIF-UHFFFAOYSA-N 0 0 363.435 2.582 20 10 FFCDRN COC(=O)C1([C@]2(O)CCC[N@H+](Cc3cccc(Cl)c3[O-])C2)CCC1 ZINC000897699633 735267149 /nfs/dbraw/zinc/26/71/49/735267149.db2.gz GRARMXIOQGWGKA-SFHVURJKSA-N 0 0 353.846 2.716 20 10 FFCDRN COC(=O)c1cnc(SC[C@@H](O)CC[C@@H](O)c2ccccc2)s1 ZINC000899888194 735565976 /nfs/dbraw/zinc/56/59/76/735565976.db2.gz ZKJKIMHFTLHXQJ-QWHCGFSZSA-N 0 0 353.465 2.897 20 10 FFCDRN CCOCc1cc(/C=C2\SC(N3CCOCC3)=NC2=O)ccc1OC ZINC000747613240 735574203 /nfs/dbraw/zinc/57/42/03/735574203.db2.gz UNCNYNALMZDLBB-WJDWOHSUSA-N 0 0 362.451 2.534 20 10 FFCDRN CC(=C\c1cccc([N+](=O)[O-])c1)/C=C1/SC(N2CCOCC2)=NC1=O ZINC000787169698 739109947 /nfs/dbraw/zinc/10/99/47/739109947.db2.gz OQVLVEJEOKRBBY-VIKUFGDRSA-N 0 0 359.407 2.844 20 10 FFCDRN CC(=O)c1cc(Cl)cc(CN2C[C@@H](C(N)=O)Cc3ccccc32)c1O ZINC000750043369 735767671 /nfs/dbraw/zinc/76/76/71/735767671.db2.gz IPLOHGJQAIPTFA-AWEZNQCLSA-N 0 0 358.825 2.912 20 10 FFCDRN CN(Cc1c(F)cccc1Cl)S(=O)(=O)NCc1ccccc1O ZINC000751150446 735849555 /nfs/dbraw/zinc/84/95/55/735849555.db2.gz GAPVTKCZPGUNSP-UHFFFAOYSA-N 0 0 358.822 2.651 20 10 FFCDRN CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccccc1O ZINC000751236503 735856014 /nfs/dbraw/zinc/85/60/14/735856014.db2.gz WFRFGIBHLVPKAS-UHFFFAOYSA-N 0 0 350.396 2.684 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1 ZINC000751316749 735863276 /nfs/dbraw/zinc/86/32/76/735863276.db2.gz ARPXGXHOMMADQB-NWDGAFQWSA-N 0 0 363.435 2.764 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CCCOC(C)C ZINC000752754220 736009659 /nfs/dbraw/zinc/00/96/59/736009659.db2.gz AVYGEMCZDNJGCF-UHFFFAOYSA-N 0 0 357.834 2.752 20 10 FFCDRN C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1[O-] ZINC000903424522 736091535 /nfs/dbraw/zinc/09/15/35/736091535.db2.gz XHPHIKRSFKLOPK-GFCCVEGCSA-N 0 0 352.431 2.778 20 10 FFCDRN CC[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)c1ccc(F)cc1[O-] ZINC000903435543 736094362 /nfs/dbraw/zinc/09/43/62/736094362.db2.gz RWQSSDRDPDRQTJ-AAEUAGOBSA-N 0 0 366.824 3.000 20 10 FFCDRN CC(C)(C)c1cc(O)c(O)c(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1 ZINC000754008023 736115161 /nfs/dbraw/zinc/11/51/61/736115161.db2.gz DNCWDIVUDAPGGX-NVXWUHKLSA-N 0 0 367.511 2.937 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)C(=O)Nc2ncc(C(C)C)s2)c1 ZINC000756108318 736307660 /nfs/dbraw/zinc/30/76/60/736307660.db2.gz XCKFETXALLIPSB-SNVBAGLBSA-N 0 0 363.439 2.797 20 10 FFCDRN C[C@H]([NH2+]CCCN1CCOC1=O)c1cc(Br)c(F)cc1[O-] ZINC000756539873 736340010 /nfs/dbraw/zinc/34/00/10/736340010.db2.gz UVTZPDDYSZZSLF-VIFPVBQESA-N 0 0 361.211 2.787 20 10 FFCDRN C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cc(Br)cc(F)c1[O-] ZINC000756641900 736349103 /nfs/dbraw/zinc/34/91/03/736349103.db2.gz ZFLLCZDFEWUWPU-QMMMGPOBSA-N 0 0 368.206 2.639 20 10 FFCDRN C[C@H]([NH2+]C[C@H](O)C1CCOCC1)c1cc(Br)cc(F)c1[O-] ZINC000756739162 736357027 /nfs/dbraw/zinc/35/70/27/736357027.db2.gz UAEWKUPQWOOYGC-XPTSAGLGSA-N 0 0 362.239 2.732 20 10 FFCDRN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cc(Br)cc(F)c1[O-] ZINC000756775707 736360529 /nfs/dbraw/zinc/36/05/29/736360529.db2.gz RLXXJEZYZLHZOA-JQEORGNBSA-N 0 0 359.239 2.859 20 10 FFCDRN COC(=O)[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)nc2)c2ccccc2O1 ZINC000758252844 736469110 /nfs/dbraw/zinc/46/91/10/736469110.db2.gz URRQPQYHHZVIGD-VIHMKRCTSA-N 0 0 358.781 2.715 20 10 FFCDRN O=C(COC(=O)c1cccc(O)c1O)Nc1ncc(Cl)cc1Cl ZINC000758572782 736502510 /nfs/dbraw/zinc/50/25/10/736502510.db2.gz NLYAGCFGTYICDU-UHFFFAOYSA-N 0 0 357.149 2.595 20 10 FFCDRN COc1cc(Br)c(C=C2SC(=S)NC2=O)c(OC)c1 ZINC000760806503 736669738 /nfs/dbraw/zinc/66/97/38/736669738.db2.gz JFKREKNMOQJJGA-BJMVGYQFSA-N 0 0 360.254 2.955 20 10 FFCDRN CN(C)C(=O)N1CCN(Cc2cc(Br)ccc2O)C(C)(C)C1 ZINC000761226462 736709502 /nfs/dbraw/zinc/70/95/02/736709502.db2.gz SEXJZNVOZQHNHV-UHFFFAOYSA-N 0 0 370.291 2.733 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cc2c(cc1Cl)OCCO2 ZINC000761617205 736748708 /nfs/dbraw/zinc/74/87/08/736748708.db2.gz GGJPIPFLSXNAQZ-UHFFFAOYSA-N 0 0 364.785 2.887 20 10 FFCDRN Cc1ccc(/C=C2/SC(=S)N(c3ccc(C(N)=O)cc3)C2=O)nc1 ZINC000761786394 736761592 /nfs/dbraw/zinc/76/15/92/736761592.db2.gz ONSPGDFMSDVDFT-RIYZIHGNSA-N 0 0 355.444 2.895 20 10 FFCDRN CO[C@@H]1C[C@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)C1(C)C ZINC000761992997 736780235 /nfs/dbraw/zinc/78/02/35/736780235.db2.gz JEMSSICREJMGKR-UONOGXRCSA-N 0 0 352.818 2.623 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)Nc2nnc(OC)s2)cc1F ZINC000801749282 740647896 /nfs/dbraw/zinc/64/78/96/740647896.db2.gz WEVAWGJILCNDLJ-UHFFFAOYSA-N 0 0 353.423 2.854 20 10 FFCDRN C[C@H](NC(=O)NCc1cccc(Br)c1O)[C@H]1CCCOC1 ZINC000764804444 737051462 /nfs/dbraw/zinc/05/14/62/737051462.db2.gz IECYKAFNQOPTCZ-JQWIXIFHSA-N 0 0 357.248 2.769 20 10 FFCDRN C[C@H](c1ccsc1)N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000764952675 737067033 /nfs/dbraw/zinc/06/70/33/737067033.db2.gz BLNDUKPXSBMFHT-ACJLOTCBSA-N 0 0 360.479 2.758 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)c1ccc(-n2ccnc2)nc1 ZINC000765733169 737150859 /nfs/dbraw/zinc/15/08/59/737150859.db2.gz UTYARMSINVNUPM-UHFFFAOYSA-N 0 0 373.210 2.665 20 10 FFCDRN COC(=O)c1ccc(C(=O)NCc2cccc(Br)c2O)cc1 ZINC000765751944 737153557 /nfs/dbraw/zinc/15/35/57/737153557.db2.gz VFFQYYZKRDRATL-UHFFFAOYSA-N 0 0 364.195 2.871 20 10 FFCDRN CCc1cc(C(=O)NCc2cccc(Br)c2O)cc(=O)[nH]1 ZINC000765765119 737155675 /nfs/dbraw/zinc/15/56/75/737155675.db2.gz NNRFDQVXYFXYTF-UHFFFAOYSA-N 0 0 351.200 2.748 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)[C@@H](CC(F)F)NC(=O)OC(C)(C)C ZINC000765856354 737166774 /nfs/dbraw/zinc/16/67/74/737166774.db2.gz ABBRKGPITDGMPZ-GFCCVEGCSA-N 0 0 358.385 2.899 20 10 FFCDRN CC(C)(C)OC(=O)N1CC[C@]2(CCN(C(=O)C3=CC(=O)CS3)C2)C1 ZINC000765864494 737168157 /nfs/dbraw/zinc/16/81/57/737168157.db2.gz BRZMVULKVIPEEL-KRWDZBQOSA-N 0 0 352.456 2.927 20 10 FFCDRN CC[C@@H](NC(=O)NCc1ccc2c(c1)CCCN2C)[C@@H](O)C(F)(F)F ZINC000766252907 737212509 /nfs/dbraw/zinc/21/25/09/737212509.db2.gz UGFQGRSXVUDESX-UKRRQHHQSA-N 0 0 359.392 2.570 20 10 FFCDRN Cc1csc([C@@H](C)NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1 ZINC000804503984 740879520 /nfs/dbraw/zinc/87/95/20/740879520.db2.gz LCWRNCNUNGUKMI-QWHCGFSZSA-N 0 0 360.483 2.572 20 10 FFCDRN CCn1cc(S(=O)(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)nc1C ZINC000767240021 737304818 /nfs/dbraw/zinc/30/48/18/737304818.db2.gz HCHUTTNLPHFDJF-UHFFFAOYSA-N 0 0 362.499 2.631 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CCc3nc(C)cs3)CC2)cc1F ZINC000767948346 737385163 /nfs/dbraw/zinc/38/51/63/737385163.db2.gz NGIKBCNTUXNGDQ-UHFFFAOYSA-N 0 0 363.458 2.881 20 10 FFCDRN [O-]c1c(Br)cccc1CN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000768250748 737408991 /nfs/dbraw/zinc/40/89/91/737408991.db2.gz CVPLINDQPZOROH-HNNXBMFYSA-N 0 0 369.303 2.841 20 10 FFCDRN COC[C@@H](CCO)NC(=O)c1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000768868536 737469784 /nfs/dbraw/zinc/46/97/84/737469784.db2.gz ONBWFZNPGSQPHG-OAHLLOKOSA-N 0 0 350.846 2.875 20 10 FFCDRN COc1ccc(O)c(CNS(=O)(=O)[C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000914163277 737517926 /nfs/dbraw/zinc/51/79/26/737517926.db2.gz XISAMBHTYOEWID-DOTOQJQBSA-N 0 0 351.399 2.515 20 10 FFCDRN C[N@@H+]1CCC[C@H](N2CCN(Cc3cc(Cl)cc(Cl)c3[O-])CC2)C1 ZINC000769381464 737522343 /nfs/dbraw/zinc/52/23/43/737522343.db2.gz ONZAGMCRTBQXRS-HNNXBMFYSA-N 0 0 358.313 2.911 20 10 FFCDRN COC(=O)[C@@H]1CC12CC[NH+](Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])CC2 ZINC000769426599 737528590 /nfs/dbraw/zinc/52/85/90/737528590.db2.gz FXODQWDBVLFLOE-LBPRGKRZSA-N 0 0 354.790 2.729 20 10 FFCDRN Cc1onc(N)c1S(=O)(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000809818227 741347667 /nfs/dbraw/zinc/34/76/67/741347667.db2.gz FJEPWZSORFXBOU-UHFFFAOYSA-N 0 0 365.455 2.794 20 10 FFCDRN O=S(=O)(c1cccc2nonc21)N1CCCc2ccc(F)c(F)c21 ZINC000769640646 737549049 /nfs/dbraw/zinc/54/90/49/737549049.db2.gz XYVISXZWTCDCHY-UHFFFAOYSA-N 0 0 351.334 2.643 20 10 FFCDRN C[C@H](NS(=O)(=O)Cc1noc2c1CCCC2)c1ccc(N(C)C)cc1 ZINC000914391991 737572039 /nfs/dbraw/zinc/57/20/39/737572039.db2.gz QDJMVBADVWTFES-ZDUSSCGKSA-N 0 0 363.483 2.800 20 10 FFCDRN CCN(CC)c1ccc(CN(C)S(=O)(=O)c2cn(C)c(Cl)n2)cc1 ZINC000769891010 737579994 /nfs/dbraw/zinc/57/99/94/737579994.db2.gz AOYDCJDVUWIGMH-UHFFFAOYSA-N 0 0 370.906 2.740 20 10 FFCDRN Cc1nnc([C@@H]2CCC[N@H+](Cc3cccc(Br)c3[O-])C2)[nH]1 ZINC000770348191 737617942 /nfs/dbraw/zinc/61/79/42/737617942.db2.gz HJCDQUZGFKCZJB-GFCCVEGCSA-N 0 0 351.248 2.961 20 10 FFCDRN O=S(=O)(CCC1CC1)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000770689611 737653148 /nfs/dbraw/zinc/65/31/48/737653148.db2.gz VGIZKQBYGSHDFO-INIZCTEOSA-N 0 0 372.918 2.730 20 10 FFCDRN COc1cc2c(c(OC)c1OC)CCN(C(=O)C1=CC(=O)CS1)CC2 ZINC000771092882 737695725 /nfs/dbraw/zinc/69/57/25/737695725.db2.gz OVEQXBTVGRZWGK-UHFFFAOYSA-N 0 0 363.435 2.721 20 10 FFCDRN C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc(O)c(O)c1 ZINC000917371692 737754912 /nfs/dbraw/zinc/75/49/12/737754912.db2.gz SAJNQODXSZCSIB-NSHDSACASA-N 0 0 362.407 2.846 20 10 FFCDRN Nc1c(Cl)cc(N2C(=O)N[C@H](Cc3ccncc3)C2=O)cc1Cl ZINC000772124683 737788359 /nfs/dbraw/zinc/78/83/59/737788359.db2.gz OQMJNDJLKKYVMS-GFCCVEGCSA-N 0 0 351.193 2.638 20 10 FFCDRN C[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)Nc1ccc(Cl)cn1 ZINC000772775755 737841982 /nfs/dbraw/zinc/84/19/82/737841982.db2.gz OFBRFCRCYYTXTH-HTZNOQTFSA-N 0 0 362.769 2.730 20 10 FFCDRN NC(=O)CN1C(=O)/C(=C\c2cc(F)cc(C(F)(F)F)c2)SC1=S ZINC000772802822 737844467 /nfs/dbraw/zinc/84/44/67/737844467.db2.gz WHHZXFULALEHDJ-YCRREMRBSA-N 0 0 364.345 2.531 20 10 FFCDRN Cc1nc([C@@H](C)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cs1 ZINC000772855276 737848670 /nfs/dbraw/zinc/84/86/70/737848670.db2.gz HRFVMILJGDBSLH-CYBMUJFWSA-N 0 0 365.524 2.537 20 10 FFCDRN Cc1ccc(S(C)(=O)=O)cc1C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000773001550 737862735 /nfs/dbraw/zinc/86/27/35/737862735.db2.gz UTKJTOJZEWXUTR-AWEZNQCLSA-N 0 0 360.479 2.956 20 10 FFCDRN C[C@H](NC(=O)CSCC(=O)N1CCCCC1)c1ccc(N(C)C)cc1 ZINC000773011220 737863508 /nfs/dbraw/zinc/86/35/08/737863508.db2.gz DQTKTOSSGGHYMW-HNNXBMFYSA-N 0 0 363.527 2.676 20 10 FFCDRN C[C@H](NC(=O)NCCc1cn2c(n1)SCC2)c1ccc(N(C)C)cc1 ZINC000773456691 737908561 /nfs/dbraw/zinc/90/85/61/737908561.db2.gz YKPSYZRANYVMRV-ZDUSSCGKSA-N 0 0 359.499 2.658 20 10 FFCDRN Cc1ccsc1CCNC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000773504390 737912925 /nfs/dbraw/zinc/91/29/25/737912925.db2.gz VFUAMPUWMPGKAG-UHFFFAOYSA-N 0 0 359.495 2.935 20 10 FFCDRN C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1scnc1Br ZINC000773742282 737932270 /nfs/dbraw/zinc/93/22/70/737932270.db2.gz RPLFNBLMTVJLAQ-ZETCQYMHSA-N 0 0 357.229 2.678 20 10 FFCDRN C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1cc(Br)cc(F)c1[O-] ZINC000774384897 737985830 /nfs/dbraw/zinc/98/58/30/737985830.db2.gz RKCRUSQFLRFDAV-LLVKDONJSA-N 0 0 373.266 2.809 20 10 FFCDRN COCc1ccc(S(=O)(=O)N[C@H](C)c2cc(OC)ccc2O)cc1 ZINC000774773644 738024397 /nfs/dbraw/zinc/02/43/97/738024397.db2.gz 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ZINC000776380810 738189131 /nfs/dbraw/zinc/18/91/31/738189131.db2.gz RYZKZDKJHVCAEJ-UHFFFAOYSA-N 0 0 372.226 2.916 20 10 FFCDRN COC(=O)CCCN1C(=O)/C(=C\c2cc(OC)cc(C)n2)SC1=S ZINC000776727245 738226011 /nfs/dbraw/zinc/22/60/11/738226011.db2.gz TZWAJCGGYFUJOH-UKTHLTGXSA-N 0 0 366.464 2.553 20 10 FFCDRN CSC[C@@H](C)C(=O)NCc1cc(NC(=O)[C@H](C)CSC)ccc1O ZINC000923122555 738243311 /nfs/dbraw/zinc/24/33/11/738243311.db2.gz POBQJXRIZYWMIL-VXGBXAGGSA-N 0 0 370.540 2.945 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1cc(OC)cs1 ZINC000777826200 738323553 /nfs/dbraw/zinc/32/35/53/738323553.db2.gz JMMBAVZMIREJGU-UHFFFAOYSA-N 0 0 369.826 2.931 20 10 FFCDRN CON(CC(=O)NCc1ccc(N(C)C)cc1)[C@H](C)c1csc(C)n1 ZINC000931542212 739283134 /nfs/dbraw/zinc/28/31/34/739283134.db2.gz LEAKBAWSVUOAPG-CYBMUJFWSA-N 0 0 362.499 2.758 20 10 FFCDRN C[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cccc(C(F)(F)F)c1[O-] ZINC000788824347 739285736 /nfs/dbraw/zinc/28/57/36/739285736.db2.gz RXOLPXXUYYKXHM-GFCCVEGCSA-N 0 0 363.376 2.620 20 10 FFCDRN CC1(CC(=O)NC2CCN(c3ccc(OC(F)F)cc3)CC2)COC1 ZINC000931581311 739291928 /nfs/dbraw/zinc/29/19/28/739291928.db2.gz HTCZQFNVAHJMDV-UHFFFAOYSA-N 0 0 354.397 2.800 20 10 FFCDRN COc1nc(Br)ccc1NC(=O)/C=C/c1ccc(O)c(O)c1 ZINC000789877627 739393617 /nfs/dbraw/zinc/39/36/17/739393617.db2.gz KRUHFZXDBFKTOV-XVNBXDOJSA-N 0 0 365.183 2.916 20 10 FFCDRN CCc1n[nH]c(C(=O)N[C@@H](C)c2cc(OC)ccc2O)c1Br ZINC000789995307 739403806 /nfs/dbraw/zinc/40/38/06/739403806.db2.gz GJNHCVSUAZKNSJ-QMMMGPOBSA-N 0 0 368.231 2.940 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N(C)[C@H](C)CN1CCOCC1 ZINC000790131835 739420821 /nfs/dbraw/zinc/42/08/21/739420821.db2.gz MCPGGFIQTOVQPG-MRXNPFEDSA-N 0 0 361.511 2.948 20 10 FFCDRN CN(C)c1ccc(CNC(=O)NC2(C(F)(F)F)CCOCC2)cc1F ZINC000932288818 739422155 /nfs/dbraw/zinc/42/21/55/739422155.db2.gz GNUOXUAGVIEHBJ-UHFFFAOYSA-N 0 0 363.355 2.802 20 10 FFCDRN NC(=O)[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccsc3)cc2)C1 ZINC000790305108 739435634 /nfs/dbraw/zinc/43/56/34/739435634.db2.gz IXCHHMASEAXNGB-AWEZNQCLSA-N 0 0 374.535 2.936 20 10 FFCDRN C[C@@H](NC(=O)Nc1cnn(C)c1Cl)c1ccc(N2CCOCC2)cc1 ZINC000932413420 739449453 /nfs/dbraw/zinc/44/94/53/739449453.db2.gz DVMPMODFTUHJSQ-GFCCVEGCSA-N 0 0 363.849 2.793 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)Nc3cnn(C)c3Cl)CC2)cc1 ZINC000932412596 739449553 /nfs/dbraw/zinc/44/95/53/739449553.db2.gz WZEPNPLPLMXAPH-UHFFFAOYSA-N 0 0 363.849 2.826 20 10 FFCDRN C[C@H]1CN(C(=O)c2cccc(O)c2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC000790704830 739486675 /nfs/dbraw/zinc/48/66/75/739486675.db2.gz KUCOQBSHJSXYLR-RYUDHWBXSA-N 0 0 350.415 2.568 20 10 FFCDRN CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)CCOCC ZINC000791250457 739540041 /nfs/dbraw/zinc/54/00/41/739540041.db2.gz RBKDYVHYALQHFS-UHFFFAOYSA-N 0 0 350.459 2.802 20 10 FFCDRN CC(=O)c1cc(Cl)cc(C[NH+]2CCC3(CC2)C[C@@H](O)CCO3)c1[O-] ZINC000933060231 739564944 /nfs/dbraw/zinc/56/49/44/739564944.db2.gz FPJHRILBJUYJSY-HNNXBMFYSA-N 0 0 353.846 2.754 20 10 FFCDRN CCS(=O)(=O)c1ccc(CNC(=O)N(C)Cc2ccccc2O)s1 ZINC000792217042 739652373 /nfs/dbraw/zinc/65/23/73/739652373.db2.gz AVOPSDKYFARPLH-UHFFFAOYSA-N 0 0 368.480 2.589 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1nccc(C)n1 ZINC000792226617 739653001 /nfs/dbraw/zinc/65/30/01/739653001.db2.gz TYFDAEMHVLBSFG-UHFFFAOYSA-N 0 0 350.216 2.915 20 10 FFCDRN C[C@H](CS(C)(=O)=O)N(C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000792824023 739710132 /nfs/dbraw/zinc/71/01/32/739710132.db2.gz XAYUGTKILWJWJP-LLVKDONJSA-N 0 0 352.422 2.636 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCO[C@]3(CCO[C@H]3C)C2)c1 ZINC000793232577 739755790 /nfs/dbraw/zinc/75/57/90/739755790.db2.gz YUUXIWJIHBVGPC-BLLLJJGKSA-N 0 0 356.260 2.843 20 10 FFCDRN CCn1nccc1CN(CCO)Cc1cc(C)cc(Br)c1O ZINC000793307332 739764394 /nfs/dbraw/zinc/76/43/94/739764394.db2.gz MSIZQTLYFSNMTK-UHFFFAOYSA-N 0 0 368.275 2.674 20 10 FFCDRN C[C@H]1CCCC[C@@H]1CNC(=O)C(=O)NCCCSc1nccs1 ZINC000793938955 739827935 /nfs/dbraw/zinc/82/79/35/739827935.db2.gz VXRLYBGRHRZEIM-QWHCGFSZSA-N 0 0 355.529 2.684 20 10 FFCDRN C[C@H]1CCC[C@H](CNC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000793945153 739828475 /nfs/dbraw/zinc/82/84/75/739828475.db2.gz WLYYOYDSARAVJS-STQMWFEESA-N 0 0 355.529 2.684 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)c1 ZINC000794827333 739933816 /nfs/dbraw/zinc/93/38/16/739933816.db2.gz XKJHDRMNOCDULE-NWDGAFQWSA-N 0 0 352.431 2.743 20 10 FFCDRN COc1ccc(CNc2ccc(C(=O)Nc3nncs3)cn2)c(O)c1 ZINC000795284966 739996972 /nfs/dbraw/zinc/99/69/72/739996972.db2.gz OLXQGFJPODEASY-UHFFFAOYSA-N 0 0 357.395 2.512 20 10 FFCDRN COc1ccc(CNc2cc(C)nc3nc(C(F)(F)F)nn32)c(O)c1 ZINC000795286059 739996983 /nfs/dbraw/zinc/99/69/83/739996983.db2.gz YSIKOSJKWVFULP-UHFFFAOYSA-N 0 0 353.304 2.778 20 10 FFCDRN COc1ccc(CNS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)c(O)c1 ZINC000795363581 740010598 /nfs/dbraw/zinc/01/05/98/740010598.db2.gz ZRQJHXAAIIQWQV-UHFFFAOYSA-N 0 0 363.435 2.718 20 10 FFCDRN O=S(=O)(CCc1ccccc1)NCc1cc(Br)ccc1O ZINC000796190629 740114344 /nfs/dbraw/zinc/11/43/44/740114344.db2.gz AYTIKMPUWISHPV-UHFFFAOYSA-N 0 0 370.268 2.817 20 10 FFCDRN CS(=O)(=O)C1(C[NH2+]Cc2cccc(Br)c2[O-])CCCC1 ZINC000796515447 740149426 /nfs/dbraw/zinc/14/94/26/740149426.db2.gz VITARFKJCPMVRF-UHFFFAOYSA-N 0 0 362.289 2.602 20 10 FFCDRN COc1ccc(CNC(=O)Nc2nnc(CC(F)(F)F)s2)c(O)c1 ZINC000797636284 740260985 /nfs/dbraw/zinc/26/09/85/740260985.db2.gz YTVXADMPAXHGOY-UHFFFAOYSA-N 0 0 362.333 2.679 20 10 FFCDRN COCCOc1ccc(S(=O)(=O)Nc2ccc(O)c(OC)c2)cc1C ZINC000797819381 740275958 /nfs/dbraw/zinc/27/59/58/740275958.db2.gz HPZKRBAFKIXDRP-UHFFFAOYSA-N 0 0 367.423 2.535 20 10 FFCDRN C[C@H]([NH2+]C[C@H]1COC2(CCOCC2)O1)c1cccc(C(F)(F)F)c1[O-] ZINC000798182305 740310240 /nfs/dbraw/zinc/31/02/40/740310240.db2.gz DYTJHFUIQGNNSJ-RYUDHWBXSA-N 0 0 361.360 2.984 20 10 FFCDRN COC(=O)N[C@@H](C)C(=O)NCc1ccc(N2CCC[C@@H](C)C2)c(Cl)c1 ZINC000800344186 740514716 /nfs/dbraw/zinc/51/47/16/740514716.db2.gz OGBFSSXKVPRITL-OLZOCXBDSA-N 0 0 367.877 2.937 20 10 FFCDRN C[C@@H]1CCCN(c2ccc(CNC(=O)C3(O)CCOCC3)cc2Cl)C1 ZINC000800570569 740534366 /nfs/dbraw/zinc/53/43/66/740534366.db2.gz AENZDBKVVBCALD-CQSZACIVSA-N 0 0 366.889 2.734 20 10 FFCDRN O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)N1CCCCO1 ZINC000802207910 740684078 /nfs/dbraw/zinc/68/40/78/740684078.db2.gz MIXYUUMYRRALGS-ZDUSSCGKSA-N 0 0 355.385 2.994 20 10 FFCDRN COc1ccc(O)c(CNC(=O)[C@H](O)c2cccc(C(F)(F)F)c2)c1 ZINC000802783460 740730904 /nfs/dbraw/zinc/73/09/04/740730904.db2.gz SPRQTXKKDZFZER-OAHLLOKOSA-N 0 0 355.312 2.769 20 10 FFCDRN C[C@H](NC(=O)C(=O)NCc1ccc2c(c1)CCCN2C)c1ccsc1 ZINC000803688128 740818214 /nfs/dbraw/zinc/81/82/14/740818214.db2.gz VLLFEZCYLPWZNX-ZDUSSCGKSA-N 0 0 357.479 2.624 20 10 FFCDRN O=C(CCOCC(F)(F)F)NCc1cc(Br)ccc1O ZINC000804732949 740900155 /nfs/dbraw/zinc/90/01/55/740900155.db2.gz GISWGYIBKQBDIS-UHFFFAOYSA-N 0 0 356.138 2.740 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1cc2c([nH]c1=O)CCC2 ZINC000804732964 740900250 /nfs/dbraw/zinc/90/02/50/740900250.db2.gz GVXSVLXKRHMFMW-UHFFFAOYSA-N 0 0 363.211 2.674 20 10 FFCDRN C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cc(Br)ccc1O ZINC000804732944 740900394 /nfs/dbraw/zinc/90/03/94/740900394.db2.gz GFBNKYCYQPQCOZ-VIFPVBQESA-N 0 0 373.247 2.684 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)c1[nH]nnc1-c1ccccc1 ZINC000804734374 740900664 /nfs/dbraw/zinc/90/06/64/740900664.db2.gz CHUDZOCDDZLYBG-UHFFFAOYSA-N 0 0 373.210 2.870 20 10 FFCDRN Cc1nccn1CCCC(=O)NCc1cc(Br)ccc1O ZINC000804737516 740901443 /nfs/dbraw/zinc/90/14/43/740901443.db2.gz KCBGJNJVDVOITA-UHFFFAOYSA-N 0 0 352.232 2.756 20 10 FFCDRN COC(=O)c1cc(C)nc(NCc2cc(Br)ccc2O)n1 ZINC000804827720 740908294 /nfs/dbraw/zinc/90/82/94/740908294.db2.gz CZVSRTQVSQNPRR-UHFFFAOYSA-N 0 0 352.188 2.652 20 10 FFCDRN O=C(NCc1cc(Br)ccc1O)N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000805204242 740949622 /nfs/dbraw/zinc/94/96/22/740949622.db2.gz MPXYCEVFQLSFHV-GZBFAFLISA-N 0 0 369.259 2.912 20 10 FFCDRN CCCNC(=O)OC[C@@H]1CCCCN1C(=O)c1ccc(C)c(O)c1O ZINC000805417248 740968556 /nfs/dbraw/zinc/96/85/56/740968556.db2.gz MVVYZCLJCRXRRF-ZDUSSCGKSA-N 0 0 350.415 2.537 20 10 FFCDRN CNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1O ZINC000805828466 741015660 /nfs/dbraw/zinc/01/56/60/741015660.db2.gz IMGODNVNTPYALX-AWEZNQCLSA-N 0 0 354.834 2.959 20 10 FFCDRN CS[C@H]1CCC[C@H](NC(=O)C(=O)NCCCSc2nccs2)C1 ZINC000806280653 741050327 /nfs/dbraw/zinc/05/03/27/741050327.db2.gz HPXSWVNAFDOEMB-RYUDHWBXSA-N 0 0 373.569 2.532 20 10 FFCDRN O=C(NCCCOCC1CC1)NCc1cc(Br)ccc1O ZINC000806333569 741053807 /nfs/dbraw/zinc/05/38/07/741053807.db2.gz KDCYIYNYNHIXGV-UHFFFAOYSA-N 0 0 357.248 2.771 20 10 FFCDRN CCc1nn(C)cc1NC(=O)NCc1cc(Br)ccc1O ZINC000806388594 741056452 /nfs/dbraw/zinc/05/64/52/741056452.db2.gz WLUSANKZNNFFBC-UHFFFAOYSA-N 0 0 353.220 2.772 20 10 FFCDRN CSCCCCCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000807486847 741137374 /nfs/dbraw/zinc/13/73/74/741137374.db2.gz XPFMJOYNNDTZPB-CQSZACIVSA-N 0 0 351.516 2.579 20 10 FFCDRN C[C@@H](NC(=O)C(=O)NCCCc1cccs1)c1ccc(N(C)C)cc1 ZINC000807674672 741148140 /nfs/dbraw/zinc/14/81/40/741148140.db2.gz OZOREDHOYATCDW-CQSZACIVSA-N 0 0 359.495 2.740 20 10 FFCDRN COc1ccc(-n2c(SCC(=O)C(C)=O)nnc2-c2ccco2)cc1 ZINC000808025753 741179307 /nfs/dbraw/zinc/17/93/07/741179307.db2.gz DLNKKSWCDWQAEB-UHFFFAOYSA-N 0 0 357.391 2.786 20 10 FFCDRN CC[C@@H]1CN(Cc2c(O)ccc3ccc(OC)cc32)C[C@H](C)S1(=O)=O ZINC000808192451 741197523 /nfs/dbraw/zinc/19/75/23/741197523.db2.gz DBWIBLQHADOTBT-XJKSGUPXSA-N 0 0 363.479 2.952 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC000808493365 741229579 /nfs/dbraw/zinc/22/95/79/741229579.db2.gz BGLMRNSFPQFGOF-UHFFFAOYSA-N 0 0 354.284 2.514 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1sc(COc2ccc(Cl)cc2)nc1C ZINC000808498726 741230009 /nfs/dbraw/zinc/23/00/09/741230009.db2.gz UKHSYJVZGYUOLI-UHFFFAOYSA-N 0 0 367.810 2.999 20 10 FFCDRN CC(=O)C(=O)COC(=O)c1ccc(Cl)cc1NC(=O)c1ccoc1C ZINC000808501149 741230346 /nfs/dbraw/zinc/23/03/46/741230346.db2.gz FMDULSILMFVMKH-UHFFFAOYSA-N 0 0 363.753 2.809 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCCS1 ZINC000809169672 741290149 /nfs/dbraw/zinc/29/01/49/741290149.db2.gz 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741908268 /nfs/dbraw/zinc/90/82/68/741908268.db2.gz JYCJAVIWUIVSIQ-ZNMIVQPWSA-N 0 0 366.259 2.860 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1c(C)nsc1C ZINC000815951999 741977454 /nfs/dbraw/zinc/97/74/54/741977454.db2.gz WOHNSJUPYJNABJ-UHFFFAOYSA-N 0 0 368.842 2.934 20 10 FFCDRN Cc1nccc(CCC(=O)NCc2cccc(Br)c2O)n1 ZINC000816496443 742035116 /nfs/dbraw/zinc/03/51/16/742035116.db2.gz KLHNGLPZLMCNKJ-UHFFFAOYSA-N 0 0 350.216 2.502 20 10 FFCDRN CN(Cc1ccc2ccccc2c1O)Cc1ccccc1S(N)(=O)=O ZINC000816626777 742048797 /nfs/dbraw/zinc/04/87/97/742048797.db2.gz UOWKNXCCMLYFIZ-UHFFFAOYSA-N 0 0 356.447 2.825 20 10 FFCDRN CCO/C=C\C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000816889564 742069218 /nfs/dbraw/zinc/06/92/18/742069218.db2.gz COBIGUZCVHDWON-YVMONPNESA-N 0 0 358.360 2.708 20 10 FFCDRN Cc1noc(C)c1CCNC(=O)c1csc(Cc2ccc(N)cc2)n1 ZINC000817934182 742222722 /nfs/dbraw/zinc/22/27/22/742222722.db2.gz CGVNSINGTJDSJQ-UHFFFAOYSA-N 0 0 356.451 2.893 20 10 FFCDRN Cc1nc2c(s1)[C@@H](N1C(=O)CN(Cc3ccccc3O)C1=O)CCC2 ZINC000819168851 742347279 /nfs/dbraw/zinc/34/72/79/742347279.db2.gz UKYJTRMFVXYBLC-AWEZNQCLSA-N 0 0 357.435 2.999 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@@H]1CSCCS1 ZINC000819697009 742424699 /nfs/dbraw/zinc/42/46/99/742424699.db2.gz LINCIEBBGFPNTR-CQSZACIVSA-N 0 0 369.508 2.523 20 10 FFCDRN Cc1cc(C(=O)Nc2nnc3nc[nH]n32)c(C)n1-c1cccc(Cl)c1 ZINC000819981989 742451770 /nfs/dbraw/zinc/45/17/70/742451770.db2.gz VFTVUWJJWYBCJE-UHFFFAOYSA-N 0 0 355.789 2.766 20 10 FFCDRN Cc1nc[nH]c1C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000820353438 742494611 /nfs/dbraw/zinc/49/46/11/742494611.db2.gz YHAHYBVSWQAOCC-LBPRGKRZSA-N 0 0 350.369 2.718 20 10 FFCDRN CCn1ncc(C(=O)N[C@H](C)c2cc(OC)ccc2O)c1Br ZINC000821064777 742582837 /nfs/dbraw/zinc/58/28/37/742582837.db2.gz HMWHEMLZYIKGSS-SECBINFHSA-N 0 0 368.231 2.871 20 10 FFCDRN CCOC(=O)CN(Cc1ncc(COC)s1)Cc1ccccc1O ZINC000822511509 742746975 /nfs/dbraw/zinc/74/69/75/742746975.db2.gz GZQFLLBNVZJKQH-UHFFFAOYSA-N 0 0 350.440 2.560 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)C3(CF)CCOCC3)CC2)cc1 ZINC000822656404 742764805 /nfs/dbraw/zinc/76/48/05/742764805.db2.gz XYPVVDMNDFYCFF-UHFFFAOYSA-N 0 0 350.434 2.500 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)NCc3scnc3C)C2)cc1 ZINC000822956950 742808724 /nfs/dbraw/zinc/80/87/24/742808724.db2.gz RXHDYNOROGMASP-CQSZACIVSA-N 0 0 360.483 2.786 20 10 FFCDRN COc1ccc(N2CC[C@@H](CNC(=O)N[C@H](C)CCSC)C2)cc1 ZINC000823088253 742829747 /nfs/dbraw/zinc/82/97/47/742829747.db2.gz JJOCIIWVBGHJAH-CABCVRRESA-N 0 0 351.516 2.962 20 10 FFCDRN CC(C)(C)NS(=O)(=O)Cc1cccc(NC(=O)C2=CC(=O)CS2)c1 ZINC000823348207 742887444 /nfs/dbraw/zinc/88/74/44/742887444.db2.gz QZCLUDGMIYALIV-UHFFFAOYSA-N 0 0 368.480 2.924 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)n(C)n1 ZINC000823899545 742997577 /nfs/dbraw/zinc/99/75/77/742997577.db2.gz GPVLZLPGRNANHK-UHFFFAOYSA-N 0 0 365.275 2.911 20 10 FFCDRN CN(Cc1cccs1)c1ccc(CNCc2nnnn2C2CC2)cc1 ZINC000823954997 743003333 /nfs/dbraw/zinc/00/33/33/743003333.db2.gz FMGAVRGKJGXVEK-UHFFFAOYSA-N 0 0 354.483 2.996 20 10 FFCDRN Cc1cc(CN2CCN(Cc3ccc(Br)cc3O)CC2)on1 ZINC000824542921 743101690 /nfs/dbraw/zinc/10/16/90/743101690.db2.gz ZRQHDZIPEIBYBY-UHFFFAOYSA-N 0 0 366.259 2.769 20 10 FFCDRN COc1c([O-])c(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)ccc1[N+](=O)[O-] ZINC000824696560 743129541 /nfs/dbraw/zinc/12/95/41/743129541.db2.gz PCLNFUARKIAWLH-FMKPAKJESA-N 0 0 350.415 2.825 20 10 FFCDRN CCN(Cc1cc(OC)cc(C(C)(C)C)c1O)[C@H](C)CS(C)(=O)=O ZINC000824809644 743153090 /nfs/dbraw/zinc/15/30/90/743153090.db2.gz XFXUKVIDBGBOQD-CYBMUJFWSA-N 0 0 357.516 2.953 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(c3cccc(F)n3)CC2)c1O ZINC000824815733 743154135 /nfs/dbraw/zinc/15/41/35/743154135.db2.gz XXCXQUAKLUIQLN-UHFFFAOYSA-N 0 0 351.809 2.911 20 10 FFCDRN COc1cc(O)c(CN(C)Cc2csc(C(C)(C)O)n2)cc1OC ZINC000825152669 743219531 /nfs/dbraw/zinc/21/95/31/743219531.db2.gz BFAHHZGIYGCBSX-UHFFFAOYSA-N 0 0 352.456 2.725 20 10 FFCDRN Cc1cc(Br)c(O)c(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1 ZINC000825203322 743228046 /nfs/dbraw/zinc/22/80/46/743228046.db2.gz ZUEYMFAUOCWNTB-KGLIPLIRSA-N 0 0 374.300 2.615 20 10 FFCDRN Cn1ccnc1[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CCO1 ZINC000825328055 743249273 /nfs/dbraw/zinc/24/92/73/743249273.db2.gz XLSOZAMYSICLQP-GXTWGEPZSA-N 0 0 366.805 2.697 20 10 FFCDRN C[C@@H]1OCC[C@@]12CN(Cc1ccc(Br)cc1O)C[C@@H](C)O2 ZINC000825731935 743319989 /nfs/dbraw/zinc/31/99/89/743319989.db2.gz MONQFVSJQHEZRM-BFQNTYOBSA-N 0 0 356.260 2.923 20 10 FFCDRN CNC(=O)OC[C@@H]1CCCCN1Cc1ccc(Br)cc1O ZINC000825940269 743345920 /nfs/dbraw/zinc/34/59/20/743345920.db2.gz RCHYBOYJAATTIU-ZDUSSCGKSA-N 0 0 357.248 2.865 20 10 FFCDRN O=S1(=O)CC[C@]2(C1)CCCN(Cc1ccc(Br)cc1O)C2 ZINC000826075434 743364811 /nfs/dbraw/zinc/36/48/11/743364811.db2.gz UNGKOBDVDPWKAU-OAHLLOKOSA-N 0 0 374.300 2.555 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)S(=O)(=O)c1cscn1 ZINC000826927626 743471787 /nfs/dbraw/zinc/47/17/87/743471787.db2.gz JBUNJEQVCOOIGD-UHFFFAOYSA-N 0 0 351.497 2.954 20 10 FFCDRN O=S(=O)(CCCC1CCOCC1)NCc1ccc(N2CCCC2)cc1 ZINC000826984268 743483736 /nfs/dbraw/zinc/48/37/36/743483736.db2.gz DTTBMFMGMNIAMG-UHFFFAOYSA-N 0 0 366.527 2.913 20 10 FFCDRN CO[C@H](CS(=O)(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C(C)C ZINC000827019140 743489953 /nfs/dbraw/zinc/48/99/53/743489953.db2.gz GKHYYWFHLPHUOK-GOSISDBHSA-N 0 0 354.516 2.718 20 10 FFCDRN CSCC[C@@H](NC(=O)c1ccco1)C(=O)N[C@H](C)c1ccccc1O ZINC000827922913 745001849 /nfs/dbraw/zinc/00/18/49/745001849.db2.gz CUCRZJTZOLKSLL-TZMCWYRMSA-N 0 0 362.451 2.714 20 10 FFCDRN C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N[C@H](C)c1ccccc1O ZINC000827937292 745003711 /nfs/dbraw/zinc/00/37/11/745003711.db2.gz QUXNUXDDXPTXDM-QWHCGFSZSA-N 0 0 365.426 2.819 20 10 FFCDRN C[C@H]1CCC[C@H](C2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)C1 ZINC000829130923 745170414 /nfs/dbraw/zinc/17/04/14/745170414.db2.gz RVVRNRFTFHTQNY-STQMWFEESA-N 0 0 366.483 2.662 20 10 FFCDRN Cc1cc(C(=O)Cn2nnc(C3CC3)n2)c(C)n1-c1ccc(Cl)cn1 ZINC000829515924 745217051 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CC(C)(C)n1cc(Br)c(C(=O)NCc2ccc(O)c(O)c2)n1 ZINC000830559019 745381029 /nfs/dbraw/zinc/38/10/29/745381029.db2.gz GWIKBIMTBNXKIR-UHFFFAOYSA-N 0 0 368.231 2.742 20 10 FFCDRN Cn1ncc(C(F)(F)F)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000830559037 745381042 /nfs/dbraw/zinc/38/10/42/745381042.db2.gz HGHCEBFCEBQULL-UHFFFAOYSA-N 0 0 353.344 2.953 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NS(=O)(=O)C[C@H](OC)c2ccccc2)c1 ZINC000830623170 745394131 /nfs/dbraw/zinc/39/41/31/745394131.db2.gz BFHXTBHSPZNIPF-ACJLOTCBSA-N 0 0 365.451 2.769 20 10 FFCDRN CN1C(=O)C[C@@H](NC(=O)Cc2ccc(N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000831495445 745537731 /nfs/dbraw/zinc/53/77/31/745537731.db2.gz CRBGJHGBCPKVFN-APWZRJJASA-N 0 0 357.841 2.553 20 10 FFCDRN COc1ccc(N(Cc2nn3c(nc(C)cc3=O)s2)CC2CC2)cc1 ZINC000831582809 745550571 /nfs/dbraw/zinc/55/05/71/745550571.db2.gz IOSHMQKOHADRSE-UHFFFAOYSA-N 0 0 356.451 2.885 20 10 FFCDRN COC(=O)c1cnc(SC[C@H](O)c2cc(OC)ccc2OC)s1 ZINC000834382278 745827984 /nfs/dbraw/zinc/82/79/84/745827984.db2.gz 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Cc1cc([C@H](C)NCc2cc(F)c(N3CCOCC3)c(F)c2)nn1C ZINC000840757383 747174507 /nfs/dbraw/zinc/17/45/07/747174507.db2.gz IMXIHQFTMONIMB-ZDUSSCGKSA-N 0 0 350.413 2.694 20 10 FFCDRN CCS(=O)(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(F)c1[O-] ZINC000840889165 747213638 /nfs/dbraw/zinc/21/36/38/747213638.db2.gz PITMIJNUDXOCQW-VIFPVBQESA-N 0 0 368.268 2.769 20 10 FFCDRN Cc1cc(O)c(CN(C)[C@H]2CCN(CC(F)(F)F)C2=O)c(Cl)c1 ZINC000840914624 747223153 /nfs/dbraw/zinc/22/31/53/747223153.db2.gz FLTSXVPTQNVOSU-LBPRGKRZSA-N 0 0 350.768 2.949 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)cc1)[C@H](C)S(C)(=O)=O ZINC000841391094 747334519 /nfs/dbraw/zinc/33/45/19/747334519.db2.gz LMPNYZZMFRBYCH-HOTGVXAUSA-N 0 0 366.527 2.608 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C1SCCCS1 ZINC000841399757 747337896 /nfs/dbraw/zinc/33/78/96/747337896.db2.gz HRRAABDKZUNKDX-UHFFFAOYSA-N 0 0 370.515 2.599 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NS(=O)(=O)N1CCC(C)CC1 ZINC000841569314 747405878 /nfs/dbraw/zinc/40/58/78/747405878.db2.gz 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ZINC000843884401 747919668 /nfs/dbraw/zinc/91/96/68/747919668.db2.gz BVDHILKEMNFDEZ-SNVBAGLBSA-N 0 0 364.243 2.864 20 10 FFCDRN COC/C(C)=C\C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000844378507 748017599 /nfs/dbraw/zinc/01/75/99/748017599.db2.gz MACQDAAVOWIIQP-QBFSEMIESA-N 0 0 354.397 2.966 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=S)NC[C@@H]2CCCCO2)cc1 ZINC000844580803 748054404 /nfs/dbraw/zinc/05/44/04/748054404.db2.gz OHWHXSKZTLHOHG-KRWDZBQOSA-N 0 0 351.516 2.507 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NC[C@H]2CC2(Cl)Cl)cc1 ZINC000844863230 748119072 /nfs/dbraw/zinc/11/90/72/748119072.db2.gz UYQIPLRTHAPWRI-GFCCVEGCSA-N 0 0 360.285 2.967 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)NCC(C)(C)C[C@@H](C)O)cc1 ZINC000845007371 748159585 /nfs/dbraw/zinc/15/95/85/748159585.db2.gz APJUVENFCVKSCW-OAHLLOKOSA-N 0 0 351.491 2.570 20 10 FFCDRN COc1cc(C)c(S(=O)(=O)NCc2cc(Cl)ccc2O)cc1OC ZINC000845998694 748379100 /nfs/dbraw/zinc/37/91/00/748379100.db2.gz QFEQQRHATUBNPB-UHFFFAOYSA-N 0 0 371.842 2.850 20 10 FFCDRN C[C@H]1Cc2cc(S(=O)(=O)NCc3cc(Cl)ccc3O)ccc2O1 ZINC000845997452 748379321 /nfs/dbraw/zinc/37/93/21/748379321.db2.gz AQGZQWULWHJRPZ-JTQLQIEISA-N 0 0 353.827 2.848 20 10 FFCDRN CC(C)c1csc(NC(=O)C(=O)NCc2cc(Cl)ccc2O)n1 ZINC000846120659 748411093 /nfs/dbraw/zinc/41/10/93/748411093.db2.gz CSZAICOILWEMMX-UHFFFAOYSA-N 0 0 353.831 2.880 20 10 FFCDRN C[C@@H]([NH2+]C[C@H]1CC(=O)N(C2CC2)C1)c1cc(Br)c(F)cc1[O-] ZINC000846205655 748430075 /nfs/dbraw/zinc/43/00/75/748430075.db2.gz JGNWMKIHTSABRE-NXEZZACHSA-N 0 0 371.250 2.955 20 10 FFCDRN COc1ccc(N(C)CCN(C)C(=O)c2ccc(C(N)=S)cc2)cc1 ZINC000846447647 748481726 /nfs/dbraw/zinc/48/17/26/748481726.db2.gz SWEAQELNLMGSCJ-UHFFFAOYSA-N 0 0 357.479 2.538 20 10 FFCDRN CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1cc(Cl)ccc1O ZINC000846473202 748487706 /nfs/dbraw/zinc/48/77/06/748487706.db2.gz RAXRTUPZOIGUTB-ZDUSSCGKSA-N 0 0 370.902 3.000 20 10 FFCDRN C[C@@H](NC(=O)CCc1ccccc1)C(=O)NCc1cc(Cl)ccc1O ZINC000846475684 748488427 /nfs/dbraw/zinc/48/84/27/748488427.db2.gz 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ZINC000854442948 750308759 /nfs/dbraw/zinc/30/87/59/750308759.db2.gz ZVKMFGRIAKZDNC-UHFFFAOYSA-N 0 0 360.248 2.604 20 10 FFCDRN O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)N1CCOC1 ZINC000854806442 750372056 /nfs/dbraw/zinc/37/20/56/750372056.db2.gz NHOKCTUMGJUVPX-XFXZXTDPSA-N 0 0 368.505 2.546 20 10 FFCDRN CCN(C[C@H]1CCOC1)C(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000047036294 845128721 /nfs/dbraw/zinc/12/87/21/845128721.db2.gz KBOBLNDBDYJMSC-QGZVFWFLSA-N 0 0 363.527 2.808 20 10 FFCDRN CCc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)s1 ZINC000049740583 845191612 /nfs/dbraw/zinc/19/16/12/845191612.db2.gz ZJOYSNVVVGJZKP-UHFFFAOYSA-N 0 0 366.508 2.626 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)NCc1cccc(O)c1 ZINC000057181105 845366141 /nfs/dbraw/zinc/36/61/41/845366141.db2.gz BYKFSXXFGRZQDH-UHFFFAOYSA-N 0 0 357.479 2.945 20 10 FFCDRN CN1CCCc2cc(CNS(=O)(=O)c3ccc([N+](=O)[O-])s3)ccc21 ZINC000058511057 845398536 /nfs/dbraw/zinc/39/85/36/845398536.db2.gz BZIBGHOWOVYFHK-UHFFFAOYSA-N 0 0 367.452 2.517 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccn2ccccc12 ZINC000895786336 970949938 /nfs/dbraw/zinc/94/99/38/970949938.db2.gz SOGZBRBUKVXWQB-UHFFFAOYSA-N 0 0 367.424 2.970 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)NCCCc1cnn(C)c1 ZINC000840284682 970966882 /nfs/dbraw/zinc/96/68/82/970966882.db2.gz MYCZLRLMRVZMEQ-INIZCTEOSA-N 0 0 357.502 2.658 20 10 FFCDRN CC(C)OC(=O)C1CC[NH+](Cc2ccc(N3CCC(O)CC3)cc2)CC1 ZINC000895828036 970976678 /nfs/dbraw/zinc/97/66/78/970976678.db2.gz SCOWUZLAKVCTMV-UHFFFAOYSA-N 0 0 360.498 2.811 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNCc3cc(C4CC4)no3)cc2)CC1 ZINC000895814601 970981151 /nfs/dbraw/zinc/98/11/51/970981151.db2.gz QISJPCXNYOBTLB-UHFFFAOYSA-N 0 0 354.454 2.544 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCC[C@@H]2c2ncccn2)c([N+](=O)[O-])c1 ZINC000895942318 971100416 /nfs/dbraw/zinc/10/04/16/971100416.db2.gz GYZBKUBPNFAZCE-DDJMYBDESA-N 0 0 354.366 2.913 20 10 FFCDRN COc1ccc(C(=O)NCCc2cc(C)n(-c3ccccc3)c2C)nn1 ZINC000737780066 971153706 /nfs/dbraw/zinc/15/37/06/971153706.db2.gz 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ZINC000873645550 956088328 /nfs/dbraw/zinc/08/83/28/956088328.db2.gz ZAFNJLIVKPKVOH-UHFFFAOYSA-N 0 0 356.422 2.724 20 10 FFCDRN CCOC(=O)N[C@@H](CNC(=O)NCc1ccc(N(C)C)cc1)CC(C)C ZINC000047969037 958845031 /nfs/dbraw/zinc/84/50/31/958845031.db2.gz PELBPTMUFGZNFY-MRXNPFEDSA-N 0 0 364.490 2.713 20 10 FFCDRN COc1cccc(CC(=O)N2CCN(Cc3c(O)cccc3Cl)CC2)c1 ZINC000120432404 959548299 /nfs/dbraw/zinc/54/82/99/959548299.db2.gz BHHZWNBBGFLUSJ-UHFFFAOYSA-N 0 0 374.868 2.941 20 10 FFCDRN CC(C)(C)NC(=O)[C@H]1CCC[C@@]12CCN(C(=O)c1ccc(O)c(O)c1)C2 ZINC001271306074 972451534 /nfs/dbraw/zinc/45/15/34/972451534.db2.gz ARMSRMZMJJZTAR-VLIAUNLRSA-N 0 0 360.454 2.645 20 10 FFCDRN CCCCN1C[C@@]2(F)CN(Cc3ccc(N(C)C)c(C)c3)C[C@@]2(F)C1=O ZINC001275951234 1013223407 /nfs/dbraw/zinc/22/34/07/1013223407.db2.gz GWWYKKBODINZGS-VQTJNVASSA-N 0 0 365.468 2.936 20 10 FFCDRN Cc1ccc(O)c(CNC(=O)c2ccc(NCc3cnn(C)c3)cc2)c1 ZINC001167293433 961081085 /nfs/dbraw/zinc/08/10/85/961081085.db2.gz CUUSHLGNWZMQBZ-UHFFFAOYSA-N 0 0 350.422 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O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)Nc1cccc2[nH]ccc21 ZINC000157473006 964351946 /nfs/dbraw/zinc/35/19/46/964351946.db2.gz VWDAAOKWFYPCIW-UHFFFAOYSA-N 0 0 360.417 2.799 20 10 FFCDRN CCCC[C@@H](NC(=O)NCC)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178906061 964493435 /nfs/dbraw/zinc/49/34/35/964493435.db2.gz LFYPRSMNCQOMLE-GOSISDBHSA-N 0 0 360.502 2.781 20 10 FFCDRN CN(C(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(C1CC1)C1CC1 ZINC000051278684 964706702 /nfs/dbraw/zinc/70/67/02/964706702.db2.gz LZGULSFNJDHQFI-UHFFFAOYSA-N 0 0 361.461 2.992 20 10 FFCDRN CCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000051278448 964706789 /nfs/dbraw/zinc/70/67/89/964706789.db2.gz UIDNRURCTOCLBG-GOSISDBHSA-N 0 0 372.513 2.735 20 10 FFCDRN COc1cc(N(C)S(=O)(=O)CCc2ccc(N)cc2)ccc1Cl ZINC001175772964 1013554539 /nfs/dbraw/zinc/55/45/39/1013554539.db2.gz JALWDWXKIGQZOK-UHFFFAOYSA-N 0 0 354.859 2.940 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)C[C@H]3C=CCCC3)cc2)CC1 ZINC000894595754 965509095 /nfs/dbraw/zinc/50/90/95/965509095.db2.gz 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967121515 /nfs/dbraw/zinc/12/15/15/967121515.db2.gz JEYZEJJKPFETOV-SFHVURJKSA-N 0 0 354.410 2.749 20 10 FFCDRN Oc1cc(O)c(CCNc2ncnc3cc(C(F)(F)F)cnc32)cc1O ZINC001168005306 967569129 /nfs/dbraw/zinc/56/91/29/967569129.db2.gz AEDHWGUNGBXBMW-UHFFFAOYSA-N 0 0 366.299 2.815 20 10 FFCDRN COC(OC)c1cc(Cl)cnc1NCCc1cc(O)c(O)cc1O ZINC001168005422 967574211 /nfs/dbraw/zinc/57/42/11/967574211.db2.gz CPCVVSRODSUNPH-UHFFFAOYSA-N 0 0 354.790 2.798 20 10 FFCDRN Oc1cc(O)c(CCNc2nc(-c3ccccn3)nc3c2CCC3)cc1O ZINC001168009260 967738165 /nfs/dbraw/zinc/73/81/65/967738165.db2.gz KPTPREBTQJQREU-UHFFFAOYSA-N 0 0 364.405 2.799 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cc(C(=O)N[C@@H]2CC23CC(O)C3)ccc1C ZINC000888946478 968127375 /nfs/dbraw/zinc/12/73/75/968127375.db2.gz GUDSDZANCLITCY-MOMVYJMYSA-N 0 0 352.434 2.858 20 10 FFCDRN Nc1ccc(NC(=O)Nc2ccc(NC(=O)Cc3c[nH]cn3)cc2)cc1 ZINC001176833125 1013783977 /nfs/dbraw/zinc/78/39/77/1013783977.db2.gz BDOPPNKISBOTAH-UHFFFAOYSA-N 0 0 350.382 2.817 20 10 FFCDRN Cc1ccc(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)c(O)c1O ZINC000179453934 968775443 /nfs/dbraw/zinc/77/54/43/968775443.db2.gz YKTZIEQRYGSNPO-HNNXBMFYSA-N 0 0 370.449 2.557 20 10 FFCDRN CCN(C(=O)c1ccc(C)c(O)c1O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000179490602 968809155 /nfs/dbraw/zinc/80/91/55/968809155.db2.gz QZZLMEWCPLJSSS-MRXNPFEDSA-N 0 0 354.406 2.674 20 10 FFCDRN COc1ccc(N2CCN(C(=O)[C@@H](C)n3nc(C)cc3C)CC2)cc1F ZINC000177284014 969160127 /nfs/dbraw/zinc/16/01/27/969160127.db2.gz LZJOIWPRAQZBQZ-OAHLLOKOSA-N 0 0 360.433 2.557 20 10 FFCDRN Cc1ccc(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)c(O)c1O ZINC000177672872 969302716 /nfs/dbraw/zinc/30/27/16/969302716.db2.gz CYFKISSIMIKCOL-UHFFFAOYSA-N 0 0 355.438 2.968 20 10 FFCDRN C[C@H]1CC2(CN1C(=O)NCc1ccc(N3CCOCC3)cc1)CCOCC2 ZINC000825753105 1013928580 /nfs/dbraw/zinc/92/85/80/1013928580.db2.gz FQOOVXNDPWCCHY-KRWDZBQOSA-N 0 0 373.497 2.624 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)NC[C@H]1CC(C(F)(F)F)=NO1 ZINC000875098931 1013968749 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COc1ccc(O)c([C@@H](C)NC(=O)NCc2cnn(CC3CCC3)c2)c1 ZINC000896961529 973109003 /nfs/dbraw/zinc/10/90/03/973109003.db2.gz BQBZYZNQYSGQFX-CYBMUJFWSA-N 0 0 358.442 2.958 20 10 FFCDRN Cc1cc(CNC(=O)N2C[C@H]3[C@H](CO)[C@H]3C2)c(C)n1-c1cccc(C)c1 ZINC000875879454 1014090945 /nfs/dbraw/zinc/09/09/45/1014090945.db2.gz ZPUTXUWYPUXZGD-PMOLBWCYSA-N 0 0 353.466 2.782 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)N3CCOCC4(CCC4)C3)CC2)cc1 ZINC000760111944 973739364 /nfs/dbraw/zinc/73/93/64/973739364.db2.gz ZLQVBOSMCNRTKW-UHFFFAOYSA-N 0 0 373.497 2.876 20 10 FFCDRN COC(=O)[C@]12C[C@H]1C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C1CC1)C2 ZINC000876133563 1014141366 /nfs/dbraw/zinc/14/13/66/1014141366.db2.gz QZXPXUQBGXNOKL-XFQAVAEZSA-N 0 0 371.481 2.768 20 10 FFCDRN CC(=O)c1ccc(F)c(-c2noc([C@@H](O)Cc3ccc(O)c(O)c3)n2)c1 ZINC001211665048 974010139 /nfs/dbraw/zinc/01/01/39/974010139.db2.gz GKQHVXVJVXGPAS-INIZCTEOSA-N 0 0 358.325 2.766 20 10 FFCDRN COc1c(F)ccc(-c2noc([C@H](O)Cc3ccc(O)c(O)c3)n2)c1F ZINC001211665311 974034156 /nfs/dbraw/zinc/03/41/56/974034156.db2.gz NZHKQLRABZZXAJ-CYBMUJFWSA-N 0 0 364.304 2.711 20 10 FFCDRN CCCC[C@H](CC)C[N@@H+]1CCC2(CN(C(=O)c3cc([O-])[nH]c(=O)c3)C2)C1 ZINC001271795845 974340494 /nfs/dbraw/zinc/34/04/94/974340494.db2.gz BJQONBOHAJSZBV-HNNXBMFYSA-N 0 0 361.486 2.857 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)C(=O)Nc1csc2ccccc12 ZINC000785295438 974778816 /nfs/dbraw/zinc/77/88/16/974778816.db2.gz VGSVWYWPOMHNGY-LLVKDONJSA-N 0 0 370.430 2.998 20 10 FFCDRN CC[C@H](C)NC(=O)CCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC000066926849 975050219 /nfs/dbraw/zinc/05/02/19/975050219.db2.gz TUZBQOWSEWAHDT-AWEZNQCLSA-N 0 0 366.481 2.776 20 10 FFCDRN C[C@@H](N[C@@H](C(N)=O)c1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 ZINC000066940215 975453208 /nfs/dbraw/zinc/45/32/08/975453208.db2.gz IGLCDBQOOFXIEH-AUUYWEPGSA-N 0 0 357.429 2.540 20 10 FFCDRN CC(C)N(Cc1cn(C[C@@H]2CCOC2)nn1)Cc1ccc(N(C)C)cc1 ZINC000876585084 1014312588 /nfs/dbraw/zinc/31/25/88/1014312588.db2.gz YRMMKSWWRTUXKD-SFHVURJKSA-N 0 0 357.502 2.791 20 10 FFCDRN COc1nn(C)cc1CNC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C ZINC000898563755 976542333 /nfs/dbraw/zinc/54/23/33/976542333.db2.gz LRKPUCLBRLDIHJ-UHFFFAOYSA-N 0 0 359.474 2.615 20 10 FFCDRN Cc1nc(C2(NCc3ccc(N4CCOCC4)c(F)c3)CCCC2)no1 ZINC000066991508 976821977 /nfs/dbraw/zinc/82/19/77/976821977.db2.gz UIHYTRNZHJRHOX-UHFFFAOYSA-N 0 0 360.433 2.913 20 10 FFCDRN Cc1ccc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(O)c1 ZINC000876759955 1014381241 /nfs/dbraw/zinc/38/12/41/1014381241.db2.gz RBQLJHGTLWGMLN-UHFFFAOYSA-N 0 0 355.394 2.567 20 10 FFCDRN CC(C)Cn1nccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000843811411 977303764 /nfs/dbraw/zinc/30/37/64/977303764.db2.gz NPMIBKKJPDATOI-UHFFFAOYSA-N 0 0 374.460 2.569 20 10 FFCDRN CCCn1c2ccccc2n(CCC(=O)NCCc2ccc(N)cc2)c1=O ZINC000237015169 977920203 /nfs/dbraw/zinc/92/02/03/977920203.db2.gz ZVXINTMKXVRXQW-UHFFFAOYSA-N 0 0 366.465 2.544 20 10 FFCDRN COc1ccc2c(c1)c1c(n2CC(=O)Nc2ncc(OC)cn2)CCCC1 ZINC000653776437 1014446318 /nfs/dbraw/zinc/44/63/18/1014446318.db2.gz GFFKLBCLPWRSFI-UHFFFAOYSA-N 0 0 366.421 2.966 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)N[C@H](C)C(=O)N2CCCC[C@@H]2C)c1 ZINC000728955480 978129920 /nfs/dbraw/zinc/12/99/20/978129920.db2.gz YCINYCSORCHELC-MELADBBJSA-N 0 0 363.458 2.551 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CCc2ccc3c(c2)OCCO3)c1 ZINC000728980205 978145480 /nfs/dbraw/zinc/14/54/80/978145480.db2.gz XZRRRAJHKGVEQQ-CYBMUJFWSA-N 0 0 357.406 2.982 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c1 ZINC000728980063 978145848 /nfs/dbraw/zinc/14/58/48/978145848.db2.gz UWOWLOHEOUDRGX-LLVKDONJSA-N 0 0 370.384 2.920 20 10 FFCDRN CCOc1cc(NC(=O)C(=O)N[C@@H](C)c2cc(OC)ccc2O)ccc1C ZINC000729061737 978170905 /nfs/dbraw/zinc/17/09/05/978170905.db2.gz JHLXXRHJYXGYHK-ZDUSSCGKSA-N 0 0 372.421 2.924 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)N[C@H](C)c2nnc3n2CCCCC3)c1 ZINC000729225451 978209181 /nfs/dbraw/zinc/20/91/81/978209181.db2.gz MSVVUYSRSRHYLO-CHWSQXEVSA-N 0 0 373.457 2.840 20 10 FFCDRN Cc1nn(-c2nc(C)cc(C)n2)c(C)c1CC(=O)N(C)c1ccc(N)cc1 ZINC000877080520 1014470654 /nfs/dbraw/zinc/47/06/54/1014470654.db2.gz KGIOWCJNDGQBAF-UHFFFAOYSA-N 0 0 364.453 2.684 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3ccc4c(c3)CCN4)CC2)c(OC)c1 ZINC000877227458 1014518134 /nfs/dbraw/zinc/51/81/34/1014518134.db2.gz JLPGGADTIRDQFW-UHFFFAOYSA-N 0 0 367.449 2.634 20 10 FFCDRN O=C(c1ccc(O)c(O)c1)N1CCCC[C@@]12CC(=O)N(C1CCCC1)C2 ZINC001271857629 979161886 /nfs/dbraw/zinc/16/18/86/979161886.db2.gz QVCWFOCIVYSPCC-FQEVSTJZSA-N 0 0 358.438 2.638 20 10 FFCDRN Cc1cc(C(=O)NCc2nc(C(F)(F)F)no2)c(C)n1-c1ccccn1 ZINC000897359058 979482427 /nfs/dbraw/zinc/48/24/27/979482427.db2.gz KPRYJMMTZUAKPQ-UHFFFAOYSA-N 0 0 365.315 2.821 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2c3ccccc3CC[C@@H]2F)cc1 ZINC000897361847 979557104 /nfs/dbraw/zinc/55/71/04/979557104.db2.gz SMSSPLWXNOAUHA-RBUKOAKNSA-N 0 0 369.440 2.511 20 10 FFCDRN O=C1CCN(Cc2ccc(N3CCC(O)CC3)cc2)c2ccccc2N1 ZINC000877537376 1014617007 /nfs/dbraw/zinc/61/70/07/1014617007.db2.gz LOTCMMHSPPXHFY-UHFFFAOYSA-N 0 0 351.450 2.997 20 10 FFCDRN C[C@@H]1CN(Cc2ccc(N3CCC(O)CC3)cc2)c2ccccc2C(=O)N1 ZINC000877537923 1014618431 /nfs/dbraw/zinc/61/84/31/1014618431.db2.gz XLRIMSKFBAEDIW-MRXNPFEDSA-N 0 0 365.477 2.786 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NC[C@@H]3COC(C)(C)O3)c2C)cc1 ZINC000760174598 980177612 /nfs/dbraw/zinc/17/76/12/980177612.db2.gz BWVWXMFLJSEUOS-QGZVFWFLSA-N 0 0 358.438 2.984 20 10 FFCDRN C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[O-])C12CCC2)c1ccc(N2CCOCC2)cc1 ZINC000904213242 980220159 /nfs/dbraw/zinc/22/01/59/980220159.db2.gz HFZGFIVPMIJOSD-WBAXXEDZSA-N 0 0 359.470 2.753 20 10 FFCDRN O=C1CN(Cc2ccc(N3CCC(O)CC3)cc2)Cc2ccccc2N1 ZINC000877619319 1014648547 /nfs/dbraw/zinc/64/85/47/1014648547.db2.gz VVYXUIPHOOBHBG-UHFFFAOYSA-N 0 0 351.450 2.602 20 10 FFCDRN CCOc1ccc(CN2CC3(CC(=O)N3Cc3ccccc3)C2)c(O)c1 ZINC000877718162 1014697413 /nfs/dbraw/zinc/69/74/13/1014697413.db2.gz YIUVFQJZRCNDOE-UHFFFAOYSA-N 0 0 352.434 2.778 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)N3CCCn4nncc4C3)cc2)CC1 ZINC000888218597 981225866 /nfs/dbraw/zinc/22/58/66/981225866.db2.gz CXUKKPQWPTXQOX-UHFFFAOYSA-N 0 0 368.485 2.630 20 10 FFCDRN COCCOCCNC(=O)NCc1ccc(N(C)C2CCCCC2)cc1 ZINC000067720795 981583664 /nfs/dbraw/zinc/58/36/64/981583664.db2.gz FPSNNNKRYQRKMQ-UHFFFAOYSA-N 0 0 363.502 2.918 20 10 FFCDRN C[C@@H](NC(=O)c1cnn(C)c1C1CC1)c1ccc(N2CCOCC2)cc1 ZINC000150129333 981797291 /nfs/dbraw/zinc/79/72/91/981797291.db2.gz GPLSOJKCONMBPT-CQSZACIVSA-N 0 0 354.454 2.625 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCc2nncn2CC1 ZINC000877991839 1014799396 /nfs/dbraw/zinc/79/93/96/1014799396.db2.gz DQDBXRXWWPICBX-SFHVURJKSA-N 0 0 367.497 2.880 20 10 FFCDRN CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccc(O)cc2O)cc1 ZINC000910958427 982100443 /nfs/dbraw/zinc/10/04/43/982100443.db2.gz UERRPPZKXQUSTL-UHFFFAOYSA-N 0 0 370.449 2.832 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(C2CC2)n(CC)n1 ZINC000911303447 982198764 /nfs/dbraw/zinc/19/87/64/982198764.db2.gz IQNHLQDBAGABFE-UHFFFAOYSA-N 0 0 371.437 2.692 20 10 FFCDRN CCc1ccc(CN2CCN(C(=O)NCCc3ccc(N)cc3)CC2)s1 ZINC000841954887 982462512 /nfs/dbraw/zinc/46/25/12/982462512.db2.gz QMXRTIDASIYDLV-UHFFFAOYSA-N 0 0 372.538 2.963 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCC[C@@](CO)(Cc3ccccc3)C2)cc1 ZINC000841956253 982462555 /nfs/dbraw/zinc/46/25/55/982462555.db2.gz ACLCMRQXZPFYIL-JOCHJYFZSA-N 0 0 367.493 2.838 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCCN3c4ccccc4C[C@H]3C2)cc1 ZINC000841956487 982466905 /nfs/dbraw/zinc/46/69/05/982466905.db2.gz FTSHQBAUPPBQJC-IBGZPJMESA-N 0 0 350.466 2.658 20 10 FFCDRN Nc1ccc(CCNC(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000841959749 982467796 /nfs/dbraw/zinc/46/77/96/982467796.db2.gz QIKJSGJSSZZSPB-KRWDZBQOSA-N 0 0 367.497 2.933 20 10 FFCDRN CN(C)c1ccc(CN(C(=O)NCc2cnn(CCF)c2)C2CC2)cc1 ZINC000897676184 982468091 /nfs/dbraw/zinc/46/80/91/982468091.db2.gz HGYPTUOKLJDNOD-UHFFFAOYSA-N 0 0 359.449 2.793 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)NC3CC4(C3)CO[C@H](C)C4)CC2)cc1 ZINC000897822893 982528051 /nfs/dbraw/zinc/52/80/51/982528051.db2.gz MWBFBUKSYHPBKF-ZGGTZUKQSA-N 0 0 373.497 2.875 20 10 FFCDRN Cc1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)c(Cl)n1 ZINC000897865663 982540570 /nfs/dbraw/zinc/54/05/70/982540570.db2.gz LOLVVAWFHMZQNS-ZDUSSCGKSA-N 0 0 374.872 2.603 20 10 FFCDRN COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1cc(F)c(F)cc1O ZINC001142534803 982623576 /nfs/dbraw/zinc/62/35/76/982623576.db2.gz XLFMVFNNKKXDOQ-ZWKOTPCHSA-N 0 0 363.360 2.786 20 10 FFCDRN Nc1ccc(CCNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1 ZINC000911782469 983896792 /nfs/dbraw/zinc/89/67/92/983896792.db2.gz JQKLQCJKFIPMAX-UHFFFAOYSA-N 0 0 366.387 2.722 20 10 FFCDRN Cc1cc(C(=O)N2[C@H](C)CC[C@@H](C(N)=O)[C@H]2C)c(C)n1-c1ccccn1 ZINC000912240474 983988471 /nfs/dbraw/zinc/98/84/71/983988471.db2.gz FGFUDYDHELQPPX-XNRPHZJLSA-N 0 0 354.454 2.604 20 10 FFCDRN CC(C)n1cccc1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1 ZINC000763962575 984001469 /nfs/dbraw/zinc/00/14/69/984001469.db2.gz HDVNSZHFTQJJSD-QGZVFWFLSA-N 0 0 368.481 2.701 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1coc(-c2ccccn2)n1 ZINC000878387191 1015021442 /nfs/dbraw/zinc/02/14/42/1015021442.db2.gz ROIJAEZVVNKQBQ-UHFFFAOYSA-N 0 0 364.405 2.503 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1cc(C(F)(F)F)ccn1 ZINC000878386413 1015021246 /nfs/dbraw/zinc/02/12/46/1015021246.db2.gz DCNFOABYMJLCQX-UHFFFAOYSA-N 0 0 365.355 2.867 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)Nc3ccc(C(N)=O)nc3)cc2)CC1 ZINC000164204059 984335256 /nfs/dbraw/zinc/33/52/56/984335256.db2.gz UJTDFCYSYGDUMV-UHFFFAOYSA-N 0 0 367.453 2.739 20 10 FFCDRN Cc1ccc(NC(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)cc1 ZINC000055302036 984336965 /nfs/dbraw/zinc/33/69/65/984336965.db2.gz WKZMZFYTKBRRKH-UHFFFAOYSA-N 0 0 369.490 2.803 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCNC(=O)c1ccccc1 ZINC000045560608 984457721 /nfs/dbraw/zinc/45/77/21/984457721.db2.gz SMOYECVWJWVFKB-UHFFFAOYSA-N 0 0 368.481 2.714 20 10 FFCDRN C[C@H](C(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)c(F)c1)c1cncnc1 ZINC000764381900 984468928 /nfs/dbraw/zinc/46/89/28/984468928.db2.gz KGLWIVRFXPZREB-ZNMIVQPWSA-N 0 0 372.444 2.649 20 10 FFCDRN Cc1noc(C[C@H](NC(=O)/C=C/c2ccc(O)c(O)c2)c2ccccc2)n1 ZINC000760756147 984471130 /nfs/dbraw/zinc/47/11/30/984471130.db2.gz BGHGUYSOIHVENU-DZZUKKPASA-N 0 0 365.389 2.903 20 10 FFCDRN CCOc1ccc(N(C)CC(=O)N(CCC(N)=O)c2ccc(F)cc2)cc1 ZINC000157315634 984538284 /nfs/dbraw/zinc/53/82/84/984538284.db2.gz JKDIJVYLKMHKDU-UHFFFAOYSA-N 0 0 373.428 2.569 20 10 FFCDRN C[C@H](NC(=O)c1cccn2nccc12)c1ccc(N2CCOCC2)cc1 ZINC000878438254 1015044012 /nfs/dbraw/zinc/04/40/12/1015044012.db2.gz YIFPEUPCMVWJQI-HNNXBMFYSA-N 0 0 350.422 2.662 20 10 FFCDRN C[C@H](c1ccc(N2CCOCC2)cc1)N1C(=O)[C@@H]2[C@H]3CCC[C@H]3CN2C1=O ZINC000761159487 984852288 /nfs/dbraw/zinc/85/22/88/984852288.db2.gz LNGKFWPLZQXPBS-XIVBQZFQSA-N 0 0 369.465 2.647 20 10 FFCDRN O=C1CN(Cc2c(O)ccc3ccncc32)CCN1c1cccc(F)c1 ZINC000764952334 984857553 /nfs/dbraw/zinc/85/75/53/984857553.db2.gz YAWZVTHLRSNYMW-UHFFFAOYSA-N 0 0 351.381 2.928 20 10 FFCDRN COc1cccc(CNC(=O)Nc2cc(C)nn2-c2ccccn2)c1O ZINC000170791896 985143524 /nfs/dbraw/zinc/14/35/24/985143524.db2.gz HZSHYTFHIBXLGY-UHFFFAOYSA-N 0 0 353.382 2.612 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)C(=O)Nc3ccc(C)cc3)CC2)cc1 ZINC000171057444 985210072 /nfs/dbraw/zinc/21/00/72/985210072.db2.gz JEKOUKPCVHYWSR-UHFFFAOYSA-N 0 0 367.449 2.727 20 10 FFCDRN CCOC(=O)CCC(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173022742 985745442 /nfs/dbraw/zinc/74/54/42/985745442.db2.gz YLYDISWIQJCCEP-CYBMUJFWSA-N 0 0 370.396 2.716 20 10 FFCDRN CCC(CC)[C@@H](C(=O)N[C@@H](C)c1cc(OC)ccc1O)N1CCOCC1 ZINC000173132206 985759780 /nfs/dbraw/zinc/75/97/80/985759780.db2.gz UIGXORUGDZYBGM-LIRRHRJNSA-N 0 0 364.486 2.715 20 10 FFCDRN C=C1c2ccccc2C(=O)N1CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000173189162 985774963 /nfs/dbraw/zinc/77/49/63/985774963.db2.gz OTKBHBBPHBQZED-UHFFFAOYSA-N 0 0 363.417 2.605 20 10 FFCDRN C[S@@](=O)c1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000173188000 985775772 /nfs/dbraw/zinc/77/57/72/985775772.db2.gz AUEHXPLSICPALO-MRDQGFSESA-N 0 0 373.474 2.951 20 10 FFCDRN C[C@@H]1C[C@@H](NC(=O)NCc2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 ZINC000173257518 985786460 /nfs/dbraw/zinc/78/64/60/985786460.db2.gz XFZNOLIPLAJXMY-DNVCBOLYSA-N 0 0 366.465 2.746 20 10 FFCDRN CC(C)[C@@H](O)CNC(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000173385000 985815385 /nfs/dbraw/zinc/81/53/85/985815385.db2.gz NLOIZFORUYBAPM-BBRMVZONSA-N 0 0 371.428 2.573 20 10 FFCDRN COc1ccc(O)c(CNC(=O)Cc2ccc(NC(=O)C3CC3)cc2)c1 ZINC000173580956 985895734 /nfs/dbraw/zinc/89/57/34/985895734.db2.gz MSNLYGJNQPNYSI-UHFFFAOYSA-N 0 0 354.406 2.608 20 10 FFCDRN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000173739490 985970888 /nfs/dbraw/zinc/97/08/88/985970888.db2.gz ODOFJARIQRDYLD-GFCCVEGCSA-N 0 0 361.465 2.672 20 10 FFCDRN CNC(=O)c1cncc(/C=C/C(=O)N2C[C@@H](C)CN(C)c3ccccc32)c1 ZINC000173735797 985970905 /nfs/dbraw/zinc/97/09/05/985970905.db2.gz ZDOJNUNOZXTXOQ-HVHJFMEUSA-N 0 0 364.449 2.574 20 10 FFCDRN Cc1ccccc1-n1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cn1 ZINC000186397402 986047687 /nfs/dbraw/zinc/04/76/87/986047687.db2.gz QYQRCOIAYQVGFC-CQSZACIVSA-N 0 0 351.406 2.953 20 10 FFCDRN CC(C)c1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n(C)n1 ZINC000174253607 986173128 /nfs/dbraw/zinc/17/31/28/986173128.db2.gz MMWKBCCNXJCRMR-UHFFFAOYSA-N 0 0 370.497 2.682 20 10 FFCDRN C[C@H]1Oc2c(cccc2C(=O)NCc2c(O)ccc3c2CCCC3)NC1=O ZINC000174511890 986236947 /nfs/dbraw/zinc/23/69/47/986236947.db2.gz OUWWNTPKSORLFY-GFCCVEGCSA-N 0 0 366.417 2.920 20 10 FFCDRN CC[C@H](NC(=O)Cc1ccc(N)cc1)c1ccccc1OCC(=O)N(C)C ZINC000151556052 986591691 /nfs/dbraw/zinc/59/16/91/986591691.db2.gz RYJYGCZXHZXMKJ-SFHVURJKSA-N 0 0 369.465 2.546 20 10 FFCDRN COc1ccc(N2CCN(CCNC(=O)/C=C\c3cccs3)CC2)cc1 ZINC000209617572 1015266018 /nfs/dbraw/zinc/26/60/18/1015266018.db2.gz RVJLUPVURPPSRS-HJWRWDBZSA-N 0 0 371.506 2.708 20 10 FFCDRN O=C(NCc1ccccc1CN1CCCC1=O)NCc1c(O)cccc1F ZINC000914056822 987150595 /nfs/dbraw/zinc/15/05/95/987150595.db2.gz 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FFCDRN O=C(NCc1c(O)cccc1F)C1(OCc2ccccc2)CCOCC1 ZINC000928706148 1019083859 /nfs/dbraw/zinc/08/38/59/1019083859.db2.gz SAQXVPSPIKFPQM-UHFFFAOYSA-N 0 0 359.397 2.914 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)CN1C(=O)c2ccccc2C1=O ZINC000801547920 1019102325 /nfs/dbraw/zinc/10/23/25/1019102325.db2.gz FKCYVLBCWDPYKC-UHFFFAOYSA-N 0 0 366.417 2.817 20 10 FFCDRN Cc1cc(C(=O)OCc2nc(C3CC3)nn2C)c(C)n1-c1ccccn1 ZINC000828701547 1032809775 /nfs/dbraw/zinc/80/97/75/1032809775.db2.gz CDNRSLKIBXMKCV-UHFFFAOYSA-N 0 0 351.410 2.852 20 10 FFCDRN C[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1Nc1cccc(F)n1 ZINC001043225631 1019259331 /nfs/dbraw/zinc/25/93/31/1019259331.db2.gz ZQRGBZADWWUQJL-BXUZGUMPSA-N 0 0 370.388 2.956 20 10 FFCDRN COc1ccc(CNC(=O)Nc2ccc3nnc(C(C)C)n3c2)c(O)c1 ZINC000801743071 1019324174 /nfs/dbraw/zinc/32/41/74/1019324174.db2.gz CFPSWOGHUWAGCZ-UHFFFAOYSA-N 0 0 355.398 2.889 20 10 FFCDRN CCn1cc(-c2nn(C)cc2C(=O)N[C@H](C)c2ccc(N(C)C)cc2)cn1 ZINC000777793319 1019472696 /nfs/dbraw/zinc/47/26/96/1019472696.db2.gz ICWOLMFSTUMAJV-CQSZACIVSA-N 0 0 366.469 2.861 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)C[C@H]2C(=O)Nc3c2cccc3F)cc1 ZINC000929530907 1019486064 /nfs/dbraw/zinc/48/60/64/1019486064.db2.gz DMSOYZGBEJARBJ-MRXNPFEDSA-N 0 0 355.413 2.976 20 10 FFCDRN Cc1ccc(/C=C\C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cn1 ZINC000777847544 1019710585 /nfs/dbraw/zinc/71/05/85/1019710585.db2.gz PFOBUZLQPBGEHR-YFHOEESVSA-N 0 0 351.450 2.898 20 10 FFCDRN CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(C=O)n(C)n2)cc1 ZINC000929951047 1019764997 /nfs/dbraw/zinc/76/49/97/1019764997.db2.gz NGIFOCWTYPBJKB-UHFFFAOYSA-N 0 0 366.421 2.734 20 10 FFCDRN C[C@H](NC(=O)c1ccnn1C1CCC1)c1ccc(N2CCOCC2)cc1 ZINC000930743005 1020157629 /nfs/dbraw/zinc/15/76/29/1020157629.db2.gz AHYDJZSZSOTKDD-HNNXBMFYSA-N 0 0 354.454 2.936 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000827956952 1020195185 /nfs/dbraw/zinc/19/51/85/1020195185.db2.gz ROXAIPLNKDCFGQ-HOTGVXAUSA-N 0 0 374.403 2.661 20 10 FFCDRN COc1ccc(N2CCCN(C(=O)CCCn3ccnc3C)CC2)cc1 ZINC000725888420 1020277123 /nfs/dbraw/zinc/27/71/23/1020277123.db2.gz GYIXCVQRIDJAQB-UHFFFAOYSA-N 0 0 356.470 2.719 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CCN(Cc3ccccc3)C2=O)cc1F ZINC000931145522 1020346209 /nfs/dbraw/zinc/34/62/09/1020346209.db2.gz AZPDZMBNHLMRPO-QGZVFWFLSA-N 0 0 369.440 2.557 20 10 FFCDRN COc1cc(CO)ccc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000900386979 1020398606 /nfs/dbraw/zinc/39/86/06/1020398606.db2.gz MXXUOVKJHGQYOI-OAHLLOKOSA-N 0 0 370.449 2.515 20 10 FFCDRN C[C@@H](Cn1cccn1)NC(=O)N(Cc1ccco1)Cc1ccccc1O ZINC000726092808 1020411934 /nfs/dbraw/zinc/41/19/34/1020411934.db2.gz KXKVEQCCSXLJLJ-HNNXBMFYSA-N 0 0 354.410 2.982 20 10 FFCDRN CCc1n[nH]cc1C(=O)NC1CCN(c2ccc(OC(F)F)cc2)CC1 ZINC000726567804 1020486134 /nfs/dbraw/zinc/48/61/34/1020486134.db2.gz PTUWPHQDHYKJQL-UHFFFAOYSA-N 0 0 364.396 2.972 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)[C@](C)(O)c3ccc(F)cc3)CC2)cc1 ZINC000931578291 1020520499 /nfs/dbraw/zinc/52/04/99/1020520499.db2.gz POIZMYXBFODJRM-OAQYLSRUSA-N 0 0 372.440 2.827 20 10 FFCDRN CC[C@H](OC(=O)c1ccc(C)c(O)c1O)C(=O)Nc1ccc(OC)cc1 ZINC000727005067 1020570225 /nfs/dbraw/zinc/57/02/25/1020570225.db2.gz FCHPJORFPIIUSG-HNNXBMFYSA-N 0 0 359.378 2.989 20 10 FFCDRN Cc1ccc(C(=O)O[C@H](C)C(=O)N2CCCc3ccccc32)c(O)c1O ZINC000727005116 1020570432 /nfs/dbraw/zinc/57/04/32/1020570432.db2.gz GWOZZRVNZLUGAJ-CYBMUJFWSA-N 0 0 355.390 2.931 20 10 FFCDRN C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)c1ccc(F)cc1[O-] ZINC000800993784 1020690793 /nfs/dbraw/zinc/69/07/93/1020690793.db2.gz NILNMYJBHWERPZ-GOEBONIOSA-N 0 0 358.413 2.862 20 10 FFCDRN C[C@H](CCNC(=O)OC(C)(C)C)NC(=O)NCc1ccc(N(C)C)cc1 ZINC000778075226 1020748607 /nfs/dbraw/zinc/74/86/07/1020748607.db2.gz PXTDUOOQTWZCSC-CQSZACIVSA-N 0 0 364.490 2.855 20 10 FFCDRN CC[C@H](C)[C@@H](C)C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 ZINC000780240380 1020892700 /nfs/dbraw/zinc/89/27/00/1020892700.db2.gz FSGCNVMVXFEFPG-JKSUJKDBSA-N 0 0 362.470 2.569 20 10 FFCDRN 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O=C(NCc1c(O)ccc2c1CCCC2)[C@@H]1C[C@]12C(=O)Nc1ccccc12 ZINC000934944221 1021479814 /nfs/dbraw/zinc/47/98/14/1021479814.db2.gz PZIJGTZLZOQTBT-HTAPYJJXSA-N 0 0 362.429 2.797 20 10 FFCDRN Cc1cc(-c2nnc(Cn3cnc([N+](=O)[O-])n3)o2)c(C)n1-c1ccccc1 ZINC001117192490 1021604433 /nfs/dbraw/zinc/60/44/33/1021604433.db2.gz CCIBRIJAMZGQDV-UHFFFAOYSA-N 0 0 365.353 2.692 20 10 FFCDRN Cc1noc(C)c1CCC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 ZINC000145541828 1021630893 /nfs/dbraw/zinc/63/08/93/1021630893.db2.gz UTFDERJFKIRREC-CQSZACIVSA-N 0 0 357.454 2.938 20 10 FFCDRN Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H](C)CCCC(F)(F)F ZINC001117654617 1021798425 /nfs/dbraw/zinc/79/84/25/1021798425.db2.gz HSEOXOFGRWMXJX-CYBMUJFWSA-N 0 0 373.419 2.915 20 10 FFCDRN O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)[C@@]1(F)CCOC1 ZINC001117665424 1021805397 /nfs/dbraw/zinc/80/53/97/1021805397.db2.gz DAMSLYLCNMIMPW-QGZVFWFLSA-N 0 0 358.360 2.502 20 10 FFCDRN COc1ccc(CNC(=O)CC(C)(C)CNC(=O)OC(C)(C)C)c(O)c1 ZINC000935770356 1021862897 /nfs/dbraw/zinc/86/28/97/1021862897.db2.gz BTTGVPZBTBHUBQ-UHFFFAOYSA-N 0 0 366.458 2.958 20 10 FFCDRN C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)C(=O)N(C)Cc1ccccc1O ZINC001117880714 1021957423 /nfs/dbraw/zinc/95/74/23/1021957423.db2.gz KVYWUCKHUKLXAS-WMLDXEAASA-N 0 0 370.424 2.894 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)c3cnc(C)nc3C3CC3)C2)cc1 ZINC001118093384 1022063006 /nfs/dbraw/zinc/06/30/06/1022063006.db2.gz RKHLTKSSKYCGFM-OAHLLOKOSA-N 0 0 366.465 2.927 20 10 FFCDRN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H](C)CC(F)F ZINC001118230520 1022133318 /nfs/dbraw/zinc/13/33/18/1022133318.db2.gz QLCCWLLMBNFBDJ-AWEZNQCLSA-N 0 0 369.456 2.897 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCC[C@@H]3[C@@H](O)C(F)(F)F)ccc21 ZINC000750637976 1022274261 /nfs/dbraw/zinc/27/42/61/1022274261.db2.gz DFFHUFGCEZJRHE-HZPDHXFCSA-N 0 0 371.403 2.666 20 10 FFCDRN Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1 ZINC000155934605 1022307802 /nfs/dbraw/zinc/30/78/02/1022307802.db2.gz QJMFFHYVQBYUJU-AWEZNQCLSA-N 0 0 371.481 2.920 20 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LZYBMIGJASZVRB-UHFFFAOYSA-N 0 0 355.394 2.666 20 10 FFCDRN CCOC(=O)CN(CC(=O)N[C@H](C)c1ccccc1)Cc1ccccc1O ZINC001118882445 1022456534 /nfs/dbraw/zinc/45/65/34/1022456534.db2.gz FKPJPBCWZNWKOZ-MRXNPFEDSA-N 0 0 370.449 2.635 20 10 FFCDRN C[C@H](Cc1ccco1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000829253646 1033063897 /nfs/dbraw/zinc/06/38/97/1033063897.db2.gz HZMQITLUCOIHGU-CQSZACIVSA-N 0 0 360.429 2.875 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC001119083073 1022557297 /nfs/dbraw/zinc/55/72/97/1022557297.db2.gz YFCVBQFAGJPEHR-HHXXYDBFSA-N 0 0 374.481 2.595 20 10 FFCDRN Cc1oc(-n2cccc2)c(C#N)c1C(=O)NC[C@@]1(O)CCc2ccccc21 ZINC000158930292 1022594529 /nfs/dbraw/zinc/59/45/29/1022594529.db2.gz AOPMCQFHCSEZLM-NRFANRHFSA-N 0 0 361.401 2.814 20 10 FFCDRN COc1ccc(-n2c(C)cc(C(=O)NCCCNC(=O)C(C)C)c2C)cc1 ZINC000159012812 1022606215 /nfs/dbraw/zinc/60/62/15/1022606215.db2.gz NYOQNTQATMVHDY-UHFFFAOYSA-N 0 0 371.481 2.995 20 10 FFCDRN C[C@@H]1CC(C)(C)CN1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1 ZINC001119317326 1022678158 /nfs/dbraw/zinc/67/81/58/1022678158.db2.gz HXBUNZKJAUDVPN-OAHLLOKOSA-N 0 0 372.513 2.718 20 10 FFCDRN COC(=O)c1ccc(NC(=O)NCCCSc2nccs2)nc1 ZINC001119325362 1022687944 /nfs/dbraw/zinc/68/79/44/1022687944.db2.gz KHVPIQIBSVGNCX-UHFFFAOYSA-N 0 0 352.441 2.629 20 10 FFCDRN O=C(c1ccccn1)N1CCN(Cc2cc3c(cc2O)CCCC3)CC1 ZINC000159750224 1022778215 /nfs/dbraw/zinc/77/82/15/1022778215.db2.gz CLOCWDHGONUFML-UHFFFAOYSA-N 0 0 351.450 2.624 20 10 FFCDRN O=C(CCCn1ccccc1=O)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000751307936 1022789460 /nfs/dbraw/zinc/78/94/60/1022789460.db2.gz OTOSBBBUJXYFMA-UHFFFAOYSA-N 0 0 373.416 2.977 20 10 FFCDRN CC(=O)N1CCC(C(=O)Nc2c(-c3ccccn3)nc3ccccn32)CC1 ZINC000751308479 1022789924 /nfs/dbraw/zinc/78/99/24/1022789924.db2.gz YILNUZRYWYOKJR-UHFFFAOYSA-N 0 0 363.421 2.593 20 10 FFCDRN O=C(/C=C/c1cnccn1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000751331391 1022799382 /nfs/dbraw/zinc/79/93/82/1022799382.db2.gz LGZDJDVOUWSZRL-KXPUMZMLSA-N 0 0 362.433 2.633 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCC[C@H]2c2ccccn2)cc1 ZINC000751778197 1022939677 /nfs/dbraw/zinc/93/96/77/1022939677.db2.gz ZPDZKAGTMSDRGJ-FQEVSTJZSA-N 0 0 352.482 2.943 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2cc(C(F)(F)F)n(C)n2)cc1 ZINC001119729479 1022959980 /nfs/dbraw/zinc/95/99/80/1022959980.db2.gz RTYBWUHPHXAJLC-UHFFFAOYSA-N 0 0 357.332 2.627 20 10 FFCDRN NC(=O)[C@H](OC(=O)c1csc(Cc2ccc(N)cc2)n1)c1ccccc1 ZINC000751930955 1022978966 /nfs/dbraw/zinc/97/89/66/1022978966.db2.gz LMXIUYPZDSEEGQ-QGZVFWFLSA-N 0 0 367.430 2.700 20 10 FFCDRN Cc1cnc(CNC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)s1 ZINC000075095199 1023008098 /nfs/dbraw/zinc/00/80/98/1023008098.db2.gz RVXXCNYYQHNCNG-UHFFFAOYSA-N 0 0 374.510 2.660 20 10 FFCDRN COc1ccc(=O)n(CC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 ZINC000188110474 1023015341 /nfs/dbraw/zinc/01/53/41/1023015341.db2.gz PBFFCRZOOLIWBX-UHFFFAOYSA-N 0 0 355.369 2.681 20 10 FFCDRN COc1ccc(N(C)C[C@H](O)COCc2ccccc2OC)c(OC)c1 ZINC000752115505 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1023372132 /nfs/dbraw/zinc/37/21/32/1023372132.db2.gz TUNGDRGESQBUON-DYVFJYSZSA-N 0 0 369.469 2.940 20 10 FFCDRN COc1ccc(OCC(=O)N2CCN(c3ccc(OC)c(F)c3)CC2)cc1 ZINC000753741175 1023374143 /nfs/dbraw/zinc/37/41/43/1023374143.db2.gz DAZVPYWAAJKYSW-UHFFFAOYSA-N 0 0 374.412 2.571 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)c3cc(C)n(C)c3C)CC2)cc1F ZINC000753861740 1023390066 /nfs/dbraw/zinc/39/00/66/1023390066.db2.gz UYPVMTFTEGVISD-UHFFFAOYSA-N 0 0 359.445 2.795 20 10 FFCDRN COc1ccc(N2CCN(CC(=O)N(C)[C@@H](C)CC(C)C)CC2)cc1F ZINC000753856545 1023390313 /nfs/dbraw/zinc/39/03/13/1023390313.db2.gz GQKCWZUESPDELJ-INIZCTEOSA-N 0 0 365.493 2.849 20 10 FFCDRN Cc1ccc(C[NH+]2CCCC2)cc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000753924148 1023399104 /nfs/dbraw/zinc/39/91/04/1023399104.db2.gz NSRUYYMWEHWMAU-UHFFFAOYSA-N 0 0 372.450 2.928 20 10 FFCDRN Cc1cccn2cc(CNCc3ccc(N4CCOCC4)c(F)c3)nc12 ZINC000076895292 1023401533 /nfs/dbraw/zinc/40/15/33/1023401533.db2.gz IOLMHTJWMRJMGS-UHFFFAOYSA-N 0 0 354.429 2.908 20 10 FFCDRN COC[C@@H](Cn1cncn1)OC(=O)c1cc(C)n(-c2ccccc2C)c1C ZINC000779231847 1023404983 /nfs/dbraw/zinc/40/49/83/1023404983.db2.gz WLISVBAEDGZKAP-QGZVFWFLSA-N 0 0 368.437 2.866 20 10 FFCDRN O=C(COC[C@H]1CCCO1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC000754547750 1023486315 /nfs/dbraw/zinc/48/63/15/1023486315.db2.gz JCBUYKMICQNZFP-CQSZACIVSA-N 0 0 365.385 2.596 20 10 FFCDRN CNC(=O)[C@H]1CCCN1CC(=O)c1cc(C)n(-c2ccc(C)c(F)c2)c1C ZINC000754642093 1023497789 /nfs/dbraw/zinc/49/77/89/1023497789.db2.gz XHYBLRXRJQLEEB-LJQANCHMSA-N 0 0 371.456 2.935 20 10 FFCDRN COc1cc(C)cnc1C(=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000754665611 1023501909 /nfs/dbraw/zinc/50/19/09/1023501909.db2.gz UXULKYXSQQZFJQ-INIZCTEOSA-N 0 0 356.422 2.926 20 10 FFCDRN COCCN(CC(=O)c1cc(C)n(C)c1C)c1ccc(OC)c(OC)c1 ZINC000754664545 1023501957 /nfs/dbraw/zinc/50/19/57/1023501957.db2.gz JYYPRLBSNIRFGZ-UHFFFAOYSA-N 0 0 360.454 2.995 20 10 FFCDRN CCOc1cccc2c1OCC(C(=O)NCc1cc(OC)ccc1O)=C2 ZINC000754905713 1023536862 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20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCCNC(=O)c2cccc(F)c2)c1 ZINC000756709890 1023747801 /nfs/dbraw/zinc/74/78/01/1023747801.db2.gz ZMYNRJMMLHVFJP-CYBMUJFWSA-N 0 0 374.412 2.789 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCN(c3ccc(C)cc3)C2=O)c1 ZINC000756734248 1023750995 /nfs/dbraw/zinc/75/09/95/1023750995.db2.gz VHCOOOBPBOOWMX-KBXCAEBGSA-N 0 0 368.433 2.943 20 10 FFCDRN COc1ccc(O)c([C@@H](C)NC(=O)CN(C)C(=O)OCc2ccccc2)c1 ZINC000756861238 1023760015 /nfs/dbraw/zinc/76/00/15/1023760015.db2.gz KMPUYPQBLCUNBI-CQSZACIVSA-N 0 0 372.421 2.847 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CN(C)CCOCc2ccccc2)cc1 ZINC000756901621 1023766201 /nfs/dbraw/zinc/76/62/01/1023766201.db2.gz PYHCAADNKSBIEY-UHFFFAOYSA-N 0 0 355.482 2.517 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)cc1 ZINC000757634994 1023839586 /nfs/dbraw/zinc/83/95/86/1023839586.db2.gz JRGFFXWJKSWULQ-ROUUACIJSA-N 0 0 360.502 2.766 20 10 FFCDRN CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c([O-])cccc3F)CCO[C@@H]2C1 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CCN(CC)c1ccc(CNC(=O)c2nc3nc(C)cc(C)n3n2)cc1 ZINC000079390758 1024255819 /nfs/dbraw/zinc/25/58/19/1024255819.db2.gz KFZUAPRIKWZBLB-UHFFFAOYSA-N 0 0 352.442 2.517 20 10 FFCDRN O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000079606649 1024310206 /nfs/dbraw/zinc/31/02/06/1024310206.db2.gz PVJBXOFRYDZAEY-UHFFFAOYSA-N 0 0 369.421 2.734 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccc2c(n1)OCCO2 ZINC001124549239 1024343367 /nfs/dbraw/zinc/34/33/67/1024343367.db2.gz DBOYSVZWRBUOIY-UHFFFAOYSA-N 0 0 353.422 2.725 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ccnc(-n2cncn2)c1 ZINC001124549577 1024343383 /nfs/dbraw/zinc/34/33/83/1024343383.db2.gz NEUXMVPVDCQXQF-UHFFFAOYSA-N 0 0 362.437 2.535 20 10 FFCDRN C[C@@H](NC(=O)NCc1ccc(N2CCC(CO)CC2)cc1)c1ccccn1 ZINC000079855061 1024389548 /nfs/dbraw/zinc/38/95/48/1024389548.db2.gz MAJQJSRWMHDSEH-MRXNPFEDSA-N 0 0 368.481 2.851 20 10 FFCDRN CC[C@H](NC(=O)c1cccc(O)c1O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000193134258 1024397167 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O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1c(O)cccc1F ZINC001347333070 1053855522 /nfs/dbraw/zinc/85/55/22/1053855522.db2.gz IADUOQCKKMHLRC-UHFFFAOYSA-N 0 0 357.307 2.552 20 10 FFCDRN CC(C)c1cncc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC001336471675 1054012379 /nfs/dbraw/zinc/01/23/79/1054012379.db2.gz GHGULIDGVYAUTC-UHFFFAOYSA-N 0 0 354.454 2.868 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cc(C4CC4)n(C)n3)CC2)cc1 ZINC001336533138 1054046360 /nfs/dbraw/zinc/04/63/60/1054046360.db2.gz BXXCSSYOYBWDDO-UHFFFAOYSA-N 0 0 354.454 2.659 20 10 FFCDRN CCOCc1nc(C)cc(N2CCN(c3ccc(OC)c(F)c3)CC2)n1 ZINC001336708653 1054153763 /nfs/dbraw/zinc/15/37/63/1054153763.db2.gz BDUXYPXJGGKSNU-UHFFFAOYSA-N 0 0 360.433 2.796 20 10 FFCDRN Nc1ccc(CNC(=O)N[C@H](c2ccc3c(c2)OCCO3)C2CC2)cc1 ZINC001336774804 1054215662 /nfs/dbraw/zinc/21/56/62/1054215662.db2.gz YEYNTCRNUIGUPF-IBGZPJMESA-N 0 0 353.422 2.991 20 10 FFCDRN O=C1C=CSC1c1nnc(N2CCn3cccc3C2)n1C[C@@H]1CCCO1 ZINC001347779152 1054309830 /nfs/dbraw/zinc/30/98/30/1054309830.db2.gz NFNXSJWPVDMLJG-AWEZNQCLSA-N 0 0 371.466 2.713 20 10 FFCDRN CN(C)c1ccc(CNC(=O)C(=O)Nc2ccc(C(C)(C)C)nc2)cc1F ZINC001337034250 1054425971 /nfs/dbraw/zinc/42/59/71/1054425971.db2.gz MRLIJVRDDQZKBH-UHFFFAOYSA-N 0 0 372.444 2.839 20 10 FFCDRN Cc1cccc(C(=O)NC2CCN(C(=O)NCc3ccc(N)cc3)CC2)c1 ZINC001337070599 1054455854 /nfs/dbraw/zinc/45/58/54/1054455854.db2.gz TWRFYXZXSPKFPF-UHFFFAOYSA-N 0 0 366.465 2.681 20 10 FFCDRN O=C(/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCCN(C(=O)c2ccccc2)C1 ZINC001337415478 1054734222 /nfs/dbraw/zinc/73/42/22/1054734222.db2.gz XMDIXEBPHZZPFC-FPISAVPCSA-N 0 0 366.417 2.532 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1ncc(C(N)=O)cc1Cl ZINC001349116654 1055106050 /nfs/dbraw/zinc/10/60/50/1055106050.db2.gz CLMYZALBYVUQBU-UHFFFAOYSA-N 0 0 372.856 2.706 20 10 FFCDRN CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2cccc(Cl)c2O)c1C ZINC001337952751 1055123111 /nfs/dbraw/zinc/12/31/11/1055123111.db2.gz ZOXWQBBTGIGUKE-JTQLQIEISA-N 0 0 364.833 2.776 20 10 FFCDRN COCc1cc(NCc2ccc(OC)c(OC)c2O)cc(C(=O)OC)c1 ZINC001352065223 1055166364 /nfs/dbraw/zinc/16/63/64/1055166364.db2.gz PWSROWBDVIDZHN-UHFFFAOYSA-N 0 0 361.394 2.955 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)C(=O)N1CCS[C@@H](c2ccccc2)C1 ZINC001349535159 1055325746 /nfs/dbraw/zinc/32/57/46/1055325746.db2.gz DCHALHBJPLSKSN-GOSISDBHSA-N 0 0 370.474 2.667 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1 ZINC001352319299 1055363641 /nfs/dbraw/zinc/36/36/41/1055363641.db2.gz GZFAWJPYFDBKSL-KRWDZBQOSA-N 0 0 364.471 2.506 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N1CCC(c2cncn2C)CC1 ZINC001356276555 1055430139 /nfs/dbraw/zinc/43/01/39/1055430139.db2.gz HRBZEAQUODDZGC-UHFFFAOYSA-N 0 0 358.471 2.850 20 10 FFCDRN Cc1nc(CN2CCC(CNC(=O)NCc3ccc(N)cc3)CC2)oc1C ZINC001338517963 1055586498 /nfs/dbraw/zinc/58/64/98/1055586498.db2.gz HURSWTSCRNPWLT-UHFFFAOYSA-N 0 0 371.485 2.585 20 10 FFCDRN C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)NCc3ccc4c(c3)CCCN4C)O2)CO1 ZINC001350115639 1055631764 /nfs/dbraw/zinc/63/17/64/1055631764.db2.gz UXHSYLNLGQHLGG-YWMUFLPLSA-N 0 0 373.497 2.595 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000847386120 1055668663 /nfs/dbraw/zinc/66/86/63/1055668663.db2.gz UBXLGBBZZUGPJA-NQERJWCQSA-N 0 0 367.493 2.950 20 10 FFCDRN COc1ccc(N2CC[C@H](CNC(=O)N(C)[C@H](C)c3nc(C)no3)C2)cc1 ZINC000847386948 1055671268 /nfs/dbraw/zinc/67/12/68/1055671268.db2.gz JLXQGRLTSMZARU-UKRRQHHQSA-N 0 0 373.457 2.616 20 10 FFCDRN NC(=O)C1CCN(c2ccc(CNC(=O)[C@@H]3CCCC34CC4)cc2)CC1 ZINC001350320177 1055722252 /nfs/dbraw/zinc/72/22/52/1055722252.db2.gz WDASDWKDIGDWRW-SFHVURJKSA-N 0 0 355.482 2.585 20 10 FFCDRN CN(C)c1ccc(CN(CC(F)(F)F)C(=O)c2ccc(CO)nc2)cc1 ZINC001300091389 1055733827 /nfs/dbraw/zinc/73/38/27/1055733827.db2.gz CEMDFHGYMASMAE-UHFFFAOYSA-N 0 0 367.371 2.845 20 10 FFCDRN COc1ccc(N2CCC(NC(=O)NCc3ccc(N)cc3)CC2)cc1 ZINC001338731314 1055766039 /nfs/dbraw/zinc/76/60/39/1055766039.db2.gz GLXVHZVVNZZGIT-UHFFFAOYSA-N 0 0 354.454 2.746 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CC12CC(OCC)C2 ZINC001352814749 1055819198 /nfs/dbraw/zinc/81/91/98/1055819198.db2.gz OBJCTXOYNCDJCZ-JGCRXCKMSA-N 0 0 374.481 2.595 20 10 FFCDRN CC(=O)NC1CCC(C(=O)N[C@@H](C)Cc2ccc(N(C)C)cc2C)CC1 ZINC001338957779 1055965201 /nfs/dbraw/zinc/96/52/01/1055965201.db2.gz RXJIPCRCTLWZCD-DMKPSLHHSA-N 0 0 359.514 2.803 20 10 FFCDRN C/C(=C\c1cccnc1)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000847539796 1056012005 /nfs/dbraw/zinc/01/20/05/1056012005.db2.gz UCLAKIOUTFWUNT-RVDMUPIBSA-N 0 0 369.440 2.902 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2c[nH]oc2=O)n1C ZINC001350950779 1056014235 /nfs/dbraw/zinc/01/42/35/1056014235.db2.gz JOMZTTZXTMZTMJ-UHFFFAOYSA-N 0 0 368.441 2.802 20 10 FFCDRN COc1ccc(O)c(CNC(=O)CCN(C(=O)OC(C)(C)C)C2CC2)c1 ZINC000847591102 1056116274 /nfs/dbraw/zinc/11/62/74/1056116274.db2.gz PNRUUIHIFWBWRH-UHFFFAOYSA-N 0 0 364.442 2.807 20 10 FFCDRN Cn1ncc(Cl)c1C(=O)Nc1ccc(NC(=O)C2=S=CC=C2)cc1 ZINC001358198717 1056188939 /nfs/dbraw/zinc/18/89/39/1056188939.db2.gz DJNQBLKOZHJDFK-UHFFFAOYSA-N 0 0 360.826 2.542 20 10 FFCDRN CCOC(=O)C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1ccc(F)cc1 ZINC001544210119 1071611356 /nfs/dbraw/zinc/61/13/56/1071611356.db2.gz XMRXHOKXLHURGF-HNNXBMFYSA-N 0 0 361.369 2.590 20 10 FFCDRN C[C@H](NC(=O)c1cccc2[nH]cnc21)c1ccc(N2CCOCC2)cc1 ZINC001544214799 1071613012 /nfs/dbraw/zinc/61/30/12/1071613012.db2.gz FCQMKAQTCMNCKZ-AWEZNQCLSA-N 0 0 350.422 2.891 20 10 FFCDRN CCn1c([C@H]2CCCc3n[nH]cc32)nnc1N(C)Cc1ccccc1O ZINC001339318508 1056325695 /nfs/dbraw/zinc/32/56/95/1056325695.db2.gz GUHGGEKOAAPMLW-AWEZNQCLSA-N 0 0 352.442 2.831 20 10 FFCDRN Cc1cc(F)ccc1[C@@H](O)c1nnc(N(C)Cc2ccccc2O)n1C ZINC001339351065 1056358302 /nfs/dbraw/zinc/35/83/02/1056358302.db2.gz IOJYUVWCUAMGNO-QGZVFWFLSA-N 0 0 356.401 2.686 20 10 FFCDRN O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1Cc2c(cccc2O)N1 ZINC001353494965 1056456246 /nfs/dbraw/zinc/45/62/46/1056456246.db2.gz KMOIEICBTKRYJW-SFHVURJKSA-N 0 0 369.490 2.598 20 10 FFCDRN Cn1c(C2SC=CC2=O)nnc1N1CCC(n2cc(Cl)cn2)CC1 ZINC001339456851 1056473309 /nfs/dbraw/zinc/47/33/09/1056473309.db2.gz LYYLJIZMCORGAB-UHFFFAOYSA-N 0 0 364.862 2.941 20 10 FFCDRN Cc1cc(N2CCN(C(=O)NCc3ccc(N)cc3)CC2)nc(C(C)C)n1 ZINC001353538744 1056511956 /nfs/dbraw/zinc/51/19/56/1056511956.db2.gz AFWBFRYPNUIESS-UHFFFAOYSA-N 0 0 368.485 2.522 20 10 FFCDRN CCc1ccc(CS(=O)(=O)N[C@H]2CCN(c3ccc(OC)cc3)C2)cc1 ZINC000849415638 1056848601 /nfs/dbraw/zinc/84/86/01/1056848601.db2.gz CPFMOPGCUDCITQ-SFHVURJKSA-N 0 0 374.506 2.956 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)cc1 ZINC001443591730 1058222366 /nfs/dbraw/zinc/22/23/66/1058222366.db2.gz YLHVIIHBUDNTSJ-LSDHHAIUSA-N 0 0 362.455 2.976 20 10 FFCDRN COC(=O)c1c2c(sc1NC(=O)[C@H]1CC[C@H]1C(=O)OC)CCCC2 ZINC001353965126 1058434979 /nfs/dbraw/zinc/43/49/79/1058434979.db2.gz XILFAIKJXQUWPE-VHSXEESVSA-N 0 0 351.424 2.551 20 10 FFCDRN Cc1ccnc(Nc2cccc(C(=O)NCc3ccc(O)c(O)c3)c2)n1 ZINC001445898705 1058454719 /nfs/dbraw/zinc/45/47/19/1058454719.db2.gz BIMHDHDCXCRCPR-UHFFFAOYSA-N 0 0 350.378 2.870 20 10 FFCDRN COc1cccc(CNC(=O)C(F)(F)c2ccccc2NC(C)=O)c1O ZINC001445966864 1058464009 /nfs/dbraw/zinc/46/40/09/1058464009.db2.gz JIIIKTJUZFOCEV-UHFFFAOYSA-N 0 0 364.348 2.767 20 10 FFCDRN COC[C@@H](C)Cn1c([C@H]2CCCO2)nnc1N(C)Cc1ccccc1O ZINC001518717334 1058471522 /nfs/dbraw/zinc/47/15/22/1058471522.db2.gz XTTFBZKSYBDHOQ-WMLDXEAASA-N 0 0 360.458 2.754 20 10 FFCDRN CCCN(C)c1nnc([C@H]2CCOC2)n1Cc1ccc(N(C)C)c(F)c1 ZINC001500686081 1058550512 /nfs/dbraw/zinc/55/05/12/1058550512.db2.gz UWTPVFIZRPXKSX-HNNXBMFYSA-N 0 0 361.465 2.882 20 10 FFCDRN CCc1nnc(N2C[C@@H](C)O[C@@H](C)C2)n1Cc1ccc2c(c1)CCCN2C ZINC001513825321 1058594110 /nfs/dbraw/zinc/59/41/10/1058594110.db2.gz IGXGZCNQUVEWMS-IYBDPMFKSA-N 0 0 369.513 2.885 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1ccc(CC(=O)N2CC(O)(C(C)C)C2)cc1 ZINC001447662058 1058687006 /nfs/dbraw/zinc/68/70/06/1058687006.db2.gz RHKIKTYJUPWEQG-UHFFFAOYSA-N 0 0 354.450 2.678 20 10 FFCDRN COc1cc(CN(C)c2nnc(C3SC=CC3=O)n2C)cc(OC)c1 ZINC001519508131 1058791863 /nfs/dbraw/zinc/79/18/63/1058791863.db2.gz PBQDTSXNEVGDSO-UHFFFAOYSA-N 0 0 360.439 2.903 20 10 FFCDRN COc1ccc(Cl)cc1[C@@H](O)CNC(=O)c1ccc(C)c(O)c1O ZINC001449492946 1058918998 /nfs/dbraw/zinc/91/89/98/1058918998.db2.gz WJBOSQHMXLOELV-ZDUSSCGKSA-N 0 0 351.786 2.532 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NC[C@H]2CCCN(CC(F)(F)F)C2)cc1 ZINC001450311334 1059005264 /nfs/dbraw/zinc/00/52/64/1059005264.db2.gz QFXLOKNITBPHSV-LLVKDONJSA-N 0 0 371.363 2.853 20 10 FFCDRN O=C(Cc1cc(F)ccc1O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC001546034107 1059154905 /nfs/dbraw/zinc/15/49/05/1059154905.db2.gz NRBTVTCPQFLLDP-KRWDZBQOSA-N 0 0 359.397 2.987 20 10 FFCDRN CCOC(=O)CN(Cc1ccccc1O)C(=O)c1nc2cnccc2s1 ZINC001451907245 1059162410 /nfs/dbraw/zinc/16/24/10/1059162410.db2.gz AEBICCNIHZHNGM-UHFFFAOYSA-N 0 0 371.418 2.602 20 10 FFCDRN Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnn2c1NC[C@H](C)C2 ZINC001520239646 1059523495 /nfs/dbraw/zinc/52/34/95/1059523495.db2.gz KPOWZLLIMVFSKT-DZGCQCFKSA-N 0 0 355.486 2.680 20 10 FFCDRN C[C@@H](NC(=O)c1ccc(=O)n(-c2ccccc2F)n1)c1ccccc1O ZINC001454802662 1059629822 /nfs/dbraw/zinc/62/98/22/1059629822.db2.gz BYUSVKJWGKDNJP-GFCCVEGCSA-N 0 0 353.353 2.568 20 10 FFCDRN O=C(N[C@H]1COc2cccc(Br)c2C1)c1cccc(O)c1O ZINC001455113291 1059698308 /nfs/dbraw/zinc/69/83/08/1059698308.db2.gz NLDGECRBVZWPKC-SECBINFHSA-N 0 0 364.195 2.594 20 10 FFCDRN CC[C@@H]1[C@H](C(=O)NCc2cc(O)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001455350520 1059765855 /nfs/dbraw/zinc/76/58/55/1059765855.db2.gz CALKWGLNQLHDNF-HUUCEWRRSA-N 0 0 364.442 2.750 20 10 FFCDRN CCOc1ccc(N2CCN(C(=O)c3cc(C4CC4)nn3C)CC2)cc1 ZINC001355097888 1059886682 /nfs/dbraw/zinc/88/66/82/1059886682.db2.gz WNYQKUMACRFSMM-UHFFFAOYSA-N 0 0 354.454 2.659 20 10 FFCDRN CC(=O)Nc1ccccc1C(F)(F)C(=O)NCc1c(O)cccc1F ZINC001456031645 1059989976 /nfs/dbraw/zinc/98/99/76/1059989976.db2.gz YTSCEBBPRMXUEC-UHFFFAOYSA-N 0 0 352.312 2.898 20 10 FFCDRN CCn1c(C2SC=CC2=O)nnc1N(C)Cc1ccc(C(=O)NC)cc1 ZINC001520737752 1060020960 /nfs/dbraw/zinc/02/09/60/1060020960.db2.gz CIXNXIYEJUDJBX-UHFFFAOYSA-N 0 0 371.466 2.728 20 10 FFCDRN CCn1ncc(Br)c1C(=O)NCc1cccc(Cl)c1O ZINC001457034567 1060258756 /nfs/dbraw/zinc/25/87/56/1060258756.db2.gz IATVRNHOKCKYRM-UHFFFAOYSA-N 0 0 358.623 2.955 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3cccc4ncn(C)c43)CC2)cc1 ZINC001458042697 1060499701 /nfs/dbraw/zinc/49/97/01/1060499701.db2.gz LZAHJBVGGWBNDX-UHFFFAOYSA-N 0 0 350.422 2.544 20 10 FFCDRN COC(=O)/C=C\c1ccc(N2CCc3ccccc3[C@@H]2CO)c([N+](=O)[O-])c1 ZINC000848719046 1060543818 /nfs/dbraw/zinc/54/38/18/1060543818.db2.gz XHHJVZDCEPYLTB-FUKPKEADSA-N 0 0 368.389 2.877 20 10 FFCDRN Nc1nc(NCc2cccc(Br)c2O)nc(C(F)(F)F)n1 ZINC001458363326 1060575162 /nfs/dbraw/zinc/57/51/62/1060575162.db2.gz HLNLIKOJXHABST-UHFFFAOYSA-N 0 0 364.125 2.553 20 10 FFCDRN CN(C)c1ccc([C@@H](CNC(=O)Nc2ccc(CO)cc2)[NH+](C)C)cc1 ZINC001517792466 1060633703 /nfs/dbraw/zinc/63/37/03/1060633703.db2.gz OAHOMQVPQRGZBE-LJQANCHMSA-N 0 0 356.470 2.669 20 10 FFCDRN CCn1c(C2Sc3ncccc3C2=O)nnc1N1CC[C@]2(CCOC2)C1 ZINC001521587786 1060993749 /nfs/dbraw/zinc/99/37/49/1060993749.db2.gz LWRPBGACYQIXLD-SFHVURJKSA-N 0 0 371.466 2.897 20 10 FFCDRN CCOC(=O)c1cc(S(=O)(=O)N2Cc3cccc(O)c3C2)ccc1C ZINC001475608443 1061162955 /nfs/dbraw/zinc/16/29/55/1061162955.db2.gz NUYRIZBSCFFIOQ-UHFFFAOYSA-N 0 0 361.419 2.582 20 10 FFCDRN O=C(CCSc1ccc2c(c1)OCCO2)NCc1cccc(O)c1O ZINC001521851096 1061169088 /nfs/dbraw/zinc/16/90/88/1061169088.db2.gz GUIKPVUNGHQRMA-UHFFFAOYSA-N 0 0 361.419 2.668 20 10 FFCDRN COc1ccc(N2CC[C@H](NC(=O)[C@@H]3CC(=O)Nc4ccccc43)C2)cc1 ZINC001461493823 1061335184 /nfs/dbraw/zinc/33/51/84/1061335184.db2.gz IHBNOUYHMHWZTM-KBXCAEBGSA-N 0 0 365.433 2.516 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2Cc1cn(-c2ccc(F)cc2)nn1 ZINC001462046389 1061486513 /nfs/dbraw/zinc/48/65/13/1061486513.db2.gz FGBIRUBBGQJZCK-UHFFFAOYSA-N 0 0 353.401 2.871 20 10 FFCDRN CC(C)CN1C[C@H]2CN(Cc3cc(F)c(N(C)C)cc3F)CCN2C1=O ZINC001462182986 1061530801 /nfs/dbraw/zinc/53/08/01/1061530801.db2.gz WWZVKFTVARQYDM-OAHLLOKOSA-N 0 0 366.456 2.609 20 10 FFCDRN COC(=O)CCNC(=O)c1ccc(NCc2c(C)cc(OC)cc2O)cc1 ZINC001462395413 1061606633 /nfs/dbraw/zinc/60/66/33/1061606633.db2.gz ZKIOOASDJFCHFY-UHFFFAOYSA-N 0 0 372.421 2.614 20 10 FFCDRN COc1ccc(CN2CCC23CN(C(=O)OC(C)(C)C)C3)c(O)c1OC ZINC001462671644 1061717241 /nfs/dbraw/zinc/71/72/41/1061717241.db2.gz FBGHXBUZJNCEQG-UHFFFAOYSA-N 0 0 364.442 2.605 20 10 FFCDRN C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1CNC(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC001477511181 1061726973 /nfs/dbraw/zinc/72/69/73/1061726973.db2.gz GODSCGKIDXAMTI-SIXLDLHFSA-N 0 0 361.461 2.754 20 10 FFCDRN CC(C)C(C)(C)CS(=O)(=O)NCc1ccc(N2CCOCC2)cc1 ZINC001462908469 1061836664 /nfs/dbraw/zinc/83/66/64/1061836664.db2.gz QUBFHWKSLDRPIU-UHFFFAOYSA-N 0 0 354.516 2.625 20 10 FFCDRN COc1ccc(SCCC(=O)NCc2cccc(O)c2O)cc1OC ZINC001528771710 1062039623 /nfs/dbraw/zinc/03/96/23/1062039623.db2.gz VIIWFDMNSAXZFL-UHFFFAOYSA-N 0 0 363.435 2.914 20 10 FFCDRN CC(C)n1cc(Br)c(C(=O)NCc2cccc(O)c2O)n1 ZINC001528782375 1062044252 /nfs/dbraw/zinc/04/42/52/1062044252.db2.gz STRQADCPYIPULT-UHFFFAOYSA-N 0 0 354.204 2.568 20 10 FFCDRN O=C(NCc1ncc(C(F)(F)F)cn1)NCc1cc(Cl)ccc1O ZINC001478675914 1062083978 /nfs/dbraw/zinc/08/39/78/1062083978.db2.gz NEEDYVNOIQQOBX-UHFFFAOYSA-N 0 0 360.723 2.854 20 10 FFCDRN COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc3oc(=O)[nH]c3c2)c1 ZINC001479222689 1062294714 /nfs/dbraw/zinc/29/47/14/1062294714.db2.gz LPAHRKHRNJWNJA-JTQLQIEISA-N 0 0 357.366 2.808 20 10 FFCDRN COC(=O)c1ccc(/C=C/C(=O)N(C)CCN(C)c2ccc(OC)cc2)o1 ZINC001437383408 1062855387 /nfs/dbraw/zinc/85/53/87/1062855387.db2.gz UKTGXWPISYVNJE-ZRDIBKRKSA-N 0 0 372.421 2.683 20 10 FFCDRN COc1ccc(N2CCN(C(=O)C3(OC(C)C)CCC3)CC2)c(OC)c1 ZINC001438187033 1062968012 /nfs/dbraw/zinc/96/80/12/1062968012.db2.gz VZZHTMLXORRAAA-UHFFFAOYSA-N 0 0 362.470 2.700 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CC[C@@H]1CC[C@@H](C)O1 ZINC001546151944 1062977707 /nfs/dbraw/zinc/97/77/07/1062977707.db2.gz MPNKPLOUBOWYNL-DOMZBBRYSA-N 0 0 369.845 2.895 20 10 FFCDRN Cc1ncccc1/C=C/C(=O)N(CCN1CCOCC1)c1ccccc1F ZINC001438516030 1063004322 /nfs/dbraw/zinc/00/43/22/1063004322.db2.gz BRELBVIFKMKPTK-CMDGGOBGSA-N 0 0 369.440 2.908 20 10 FFCDRN Cc1ccncc1/C=C/C(=O)N(CCN1CCOCC1)c1ccccc1F ZINC001438520100 1063005775 /nfs/dbraw/zinc/00/57/75/1063005775.db2.gz UADVYIKOCUBVPS-VOTSOKGWSA-N 0 0 369.440 2.908 20 10 FFCDRN CN(Cc1nccn1Cc1ccccc1)C(=O)Cc1ccc(O)c(O)c1 ZINC001465499264 1063117790 /nfs/dbraw/zinc/11/77/90/1063117790.db2.gz RKLOYNZJNVMGII-UHFFFAOYSA-N 0 0 351.406 2.544 20 10 FFCDRN Cc1cc(C=O)c(C)n1-c1cccc(C(=O)Nc2c(C)[nH]c(=O)[nH]c2=O)c1 ZINC001465650776 1063169805 /nfs/dbraw/zinc/16/98/05/1063169805.db2.gz SYSTUISZTVHCKS-UHFFFAOYSA-N 0 0 366.377 2.669 20 10 FFCDRN COCCN(Cc1nnc(-c2cccs2)o1)C(=O)C1=CC(=O)CS1 ZINC001465665951 1063172399 /nfs/dbraw/zinc/17/23/99/1063172399.db2.gz MBDCKYMFXVQABU-UHFFFAOYSA-N 0 0 365.436 2.854 20 10 FFCDRN C[C@@H](NC(=O)Nc1cc(Br)c(=O)n(C)c1)c1ccccc1O ZINC001465919765 1063265677 /nfs/dbraw/zinc/26/56/77/1063265677.db2.gz SOWMLHFLCDPCSY-SECBINFHSA-N 0 0 366.215 2.736 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 ZINC001440659579 1063328118 /nfs/dbraw/zinc/32/81/18/1063328118.db2.gz SSDHWXAZHXITHT-HNNXBMFYSA-N 0 0 355.390 2.775 20 10 FFCDRN COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)/C=C\c1cncc(C)c1 ZINC001466398782 1063422742 /nfs/dbraw/zinc/42/27/42/1063422742.db2.gz STNDLUGFIMSYQY-UTCJRWHESA-N 0 0 374.824 2.964 20 10 FFCDRN O=C(Cc1ccc(O)c(O)c1)NCc1cccc(OCC(F)(F)F)c1 ZINC001441516855 1063448693 /nfs/dbraw/zinc/44/86/93/1063448693.db2.gz DEECZTMOPRDHPD-UHFFFAOYSA-N 0 0 355.312 2.898 20 10 FFCDRN CC[C@H](C)c1nnc(N(C)Cc2ccccc2O)n1C[C@]1(C)COCCO1 ZINC001495136192 1063449617 /nfs/dbraw/zinc/44/96/17/1063449617.db2.gz HVPKYKXYMWMHMN-MGPUTAFESA-N 0 0 374.485 2.939 20 10 FFCDRN C[C@H](NC(=O)Cc1ccc(O)c(O)c1)c1cccc(N2CCCC2=O)c1 ZINC001442124350 1063502083 /nfs/dbraw/zinc/50/20/83/1063502083.db2.gz VJHLHMJUUFFFJW-ZDUSSCGKSA-N 0 0 354.406 2.645 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1ccnc(-n2cccc2)c1 ZINC001442237826 1063512140 /nfs/dbraw/zinc/51/21/40/1063512140.db2.gz XDCHRLYXHLUDDG-UHFFFAOYSA-N 0 0 362.433 2.639 20 10 FFCDRN Cc1cc(CC(=O)N2CCN3C[C@@H](F)C[C@H]3C2)c(C)n1-c1ccccc1 ZINC001468321357 1063966396 /nfs/dbraw/zinc/96/63/96/1063966396.db2.gz UROBCKJAJXWECO-ICSRJNTNSA-N 0 0 355.457 2.891 20 10 FFCDRN O=C(NCCCNC(=O)c1ccccc1)NCc1cc(Cl)ccc1O ZINC001469793726 1064211890 /nfs/dbraw/zinc/21/18/90/1064211890.db2.gz YNMMRDUZDBSNNG-UHFFFAOYSA-N 0 0 361.829 2.665 20 10 FFCDRN Cc1cncc(N(Cc2ncc[nH]2)C(=O)c2cccnc2-c2cnn(C)c2)c1 ZINC001470108620 1064258871 /nfs/dbraw/zinc/25/88/71/1064258871.db2.gz XQRYEWUBNRNFTR-UHFFFAOYSA-N 0 0 373.420 2.756 20 10 FFCDRN Cc1cc(C(=O)N2C[C@H](O)C[C@@]2(C)CO)c(C)n1-c1ccc(Cl)cc1 ZINC001470304500 1064300910 /nfs/dbraw/zinc/30/09/10/1064300910.db2.gz VERJFMKWTPIHOY-APWZRJJASA-N 0 0 362.857 2.705 20 10 FFCDRN CCCN1C[C@@H](CNC(=O)N(C)Cc2ccc(N3CCCC3)cc2)CC1=O ZINC001470569218 1064369222 /nfs/dbraw/zinc/36/92/22/1064369222.db2.gz HOVHBKLVKUACRO-GOSISDBHSA-N 0 0 372.513 2.687 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H](Cn2ccnc2)c2ccccc2)c1O ZINC001471181245 1064591421 /nfs/dbraw/zinc/59/14/21/1064591421.db2.gz UJVFJPSQNPASMO-KRWDZBQOSA-N 0 0 366.421 2.838 20 10 FFCDRN C[C@H](NC(=O)c1c(Cl)cccc1S(C)(=O)=O)c1ccccc1O ZINC001471194574 1064596853 /nfs/dbraw/zinc/59/68/53/1064596853.db2.gz KUSUJYARRXMVHK-JTQLQIEISA-N 0 0 353.827 2.940 20 10 FFCDRN COc1ccc(-c2noc(CCC(=O)NCc3c(O)cccc3F)n2)cc1 ZINC001471975243 1064876370 /nfs/dbraw/zinc/87/63/70/1064876370.db2.gz VQQVBBHDGORPCL-UHFFFAOYSA-N 0 0 371.368 2.839 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2snc(OC)c2Cl)cc1 ZINC001474438301 1065521848 /nfs/dbraw/zinc/52/18/48/1065521848.db2.gz UGHBJUUUAPLUHX-UHFFFAOYSA-N 0 0 356.831 2.993 20 10 FFCDRN CN(Cc1ccccc1O)S(=O)(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 ZINC001475005937 1065671603 /nfs/dbraw/zinc/67/16/03/1065671603.db2.gz DWSIKASMNVLJLA-UHFFFAOYSA-N 0 0 374.462 2.833 20 10 FFCDRN Nc1ccc(CCNC(=O)c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC001580443631 1078805348 /nfs/dbraw/zinc/80/53/48/1078805348.db2.gz URECFVNDHOGXQA-UHFFFAOYSA-N 0 0 351.309 2.751 20 10 FFCDRN CN(C)c1ccc(Cn2c(-c3cnn(C)c3)nnc2N(C)C2CC2)cc1F ZINC001552821794 1075154414 /nfs/dbraw/zinc/15/44/14/1075154414.db2.gz CJHNGNRBUBBYIS-UHFFFAOYSA-N 0 0 369.448 2.531 20 10 FFCDRN COc1cc(CC(=O)NCc2cccc(Br)c2O)ccc1O ZINC001556481550 1075745646 /nfs/dbraw/zinc/74/56/46/1075745646.db2.gz WLXWOIHVMOTDGA-UHFFFAOYSA-N 0 0 366.211 2.728 20 10 FFCDRN C[C@H](c1ccccc1)[C@@H](NC(=O)c1cc2cc(O)c(O)cc2s1)C(N)=O ZINC001556818278 1075778236 /nfs/dbraw/zinc/77/82/36/1075778236.db2.gz KKOAUHKYKMEHET-BMLIUANNSA-N 0 0 370.430 2.700 20 10 FFCDRN CCN1C(=O)C[C@H](C(=O)NCc2cc(O)ccc2O)[C@@H]1c1cccc(C)c1 ZINC001558175664 1075956355 /nfs/dbraw/zinc/95/63/55/1075956355.db2.gz ZZCMGZKHTCOMGD-PXNSSMCTSA-N 0 0 368.433 2.632 20 10 FFCDRN CCOC(=O)c1c(C)oc2nc(CN[C@@H](C)c3ccccc3O)nc(N)c21 ZINC001560075282 1076222619 /nfs/dbraw/zinc/22/26/19/1076222619.db2.gz ZHYMANVIJOYANI-JTQLQIEISA-N 0 0 370.409 2.847 20 10 FFCDRN COC(=O)N1CCN(c2ccc(NCc3ccc(C)cc3O)cn2)CC1 ZINC001560846254 1076303969 /nfs/dbraw/zinc/30/39/69/1076303969.db2.gz COFPBUVNKGYPGP-UHFFFAOYSA-N 0 0 356.426 2.596 20 10 FFCDRN Cc1ccc(CN2CCO[C@H](C[NH2+]Cc3ccc(F)c(F)c3[O-])C2)cc1 ZINC001560973332 1076315535 /nfs/dbraw/zinc/31/55/35/1076315535.db2.gz QPYAJFPWEOCSNM-QGZVFWFLSA-N 0 0 362.420 2.969 20 10 FFCDRN CCOc1ccc(N2CCN(S(=O)(=O)CC3CC(F)(F)C3)CC2)cc1 ZINC001561435667 1076376341 /nfs/dbraw/zinc/37/63/41/1076376341.db2.gz BYRGNAKXAGWGIW-UHFFFAOYSA-N 0 0 374.453 2.582 20 10 FFCDRN Cc1c(C)n(C)c2ccc(OS(=O)(=O)c3cccc(C(N)=O)c3)cc12 ZINC001561663990 1076404517 /nfs/dbraw/zinc/40/45/17/1076404517.db2.gz JQNLJFZBPWYYBM-UHFFFAOYSA-N 0 0 358.419 2.662 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Nc1cnc(C(N)=O)s1 ZINC001563262251 1076535909 /nfs/dbraw/zinc/53/59/09/1076535909.db2.gz YERXJZMWODEXEY-UHFFFAOYSA-N 0 0 373.482 2.896 20 10 FFCDRN CCOC(=O)CCCNC(=O)NCc1ccc(N(CC)CC)c(F)c1 ZINC001563604462 1076569661 /nfs/dbraw/zinc/56/96/61/1076569661.db2.gz HEACQQVNNNZPRN-UHFFFAOYSA-N 0 0 353.438 2.814 20 10 FFCDRN COC(=O)N1CC(NC(=O)NCc2cc(C)n(-c3cccc(C)c3)c2C)C1 ZINC001564603748 1076647354 /nfs/dbraw/zinc/64/73/54/1076647354.db2.gz YUQJTJFGAOUPGK-UHFFFAOYSA-N 0 0 370.453 2.652 20 10 FFCDRN COc1ccc(N2CCN(C(=O)N[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)c(OC)c1 ZINC001565024412 1076678877 /nfs/dbraw/zinc/67/88/77/1076678877.db2.gz YLRVGYYXRWKPTQ-BZUAXINKSA-N 0 0 359.470 2.724 20 10 FFCDRN NC(=O)N=Nc1ccc(C(=O)NCCCc2nnc3n2CCCCC3)cc1 ZINC001565739784 1076759608 /nfs/dbraw/zinc/75/96/08/1076759608.db2.gz BCKBOXQZDDGWDY-UHFFFAOYSA-N 0 0 369.429 2.530 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)c1cc2c(cc1[N+](=O)[O-])OCCCO2 ZINC001566304270 1076943855 /nfs/dbraw/zinc/94/38/55/1076943855.db2.gz ZTJDSNJBJPXMJD-UHFFFAOYSA-N 0 0 358.350 2.734 20 10 FFCDRN CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1 ZINC001587551763 1079813171 /nfs/dbraw/zinc/81/31/71/1079813171.db2.gz CHCLWNYHNQACKU-UHFFFAOYSA-N 0 0 356.382 2.568 20 10 FFCDRN CC[N@H+](Cc1c(C(=O)[O-])cnn1C)Cc1cc(Br)ccc1O ZINC001589736154 1080693754 /nfs/dbraw/zinc/69/37/54/1080693754.db2.gz IYWJXLAGBVJUQB-UHFFFAOYSA-N 0 0 368.231 2.609 20 10 FFCDRN C[C@H]([NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589963334 1080906418 /nfs/dbraw/zinc/90/64/18/1080906418.db2.gz WHKQUMLNWXHJRX-KWBADKCTSA-N 0 0 371.363 2.723 20 10 FFCDRN COc1cc(NC(=O)NCc2ccc(N3CCOCC3)cc2)cc(OC)c1 ZINC000065437395 506298535 /nfs/dbraw/zinc/29/85/35/506298535.db2.gz BVWYIWQTAWQMOB-UHFFFAOYSA-N 0 0 371.437 2.862 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)CCNC(=O)Cc1ccccc1 ZINC000066096564 506420514 /nfs/dbraw/zinc/42/05/14/506420514.db2.gz WWIYQEQLBMRWGO-UHFFFAOYSA-N 0 0 354.450 2.880 20 10 FFCDRN COc1cc(N2CCN(C(=O)C3CCCCC3)CC2)cc(OC)c1OC ZINC000006274881 506474227 /nfs/dbraw/zinc/47/42/27/506474227.db2.gz FJZARNCCXJVUHK-UHFFFAOYSA-N 0 0 362.470 2.941 20 10 FFCDRN COc1ccc(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000055523588 506769545 /nfs/dbraw/zinc/76/95/45/506769545.db2.gz XDGATUROVHHWIE-UHFFFAOYSA-N 0 0 358.413 2.530 20 10 FFCDRN COc1ccc(N2CCN(C(=O)c3[nH]c4c(c3C)C(=O)CCC4)CC2)cc1 ZINC000044716424 506878348 /nfs/dbraw/zinc/87/83/48/506878348.db2.gz RNUVYDYYIBACPB-UHFFFAOYSA-N 0 0 367.449 2.813 20 10 FFCDRN Cc1cc(C(=O)NC[C@H]2CCS(=O)(=O)C2)c(C)n1-c1cccc(C)c1 ZINC000044718126 506879176 /nfs/dbraw/zinc/87/91/76/506879176.db2.gz HCJILAOQNUBBQO-MRXNPFEDSA-N 0 0 360.479 2.567 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)C(=O)NCCCOC[C@@H]1CCCO1 ZINC000045180194 506929256 /nfs/dbraw/zinc/92/92/56/506929256.db2.gz PDOBJWGOPHBXLO-IBGZPJMESA-N 0 0 363.502 2.870 20 10 FFCDRN COc1ncccc1CNC(=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000045966112 507053952 /nfs/dbraw/zinc/05/39/52/507053952.db2.gz PGUZAKAMLAETIK-QGZVFWFLSA-N 0 0 371.437 2.687 20 10 FFCDRN O=C(CCNC(=O)NCc1ccc(N2CCCC2)cc1)NC1CCCCC1 ZINC000057168847 507194035 /nfs/dbraw/zinc/19/40/35/507194035.db2.gz KRAWEICFKZLJOR-UHFFFAOYSA-N 0 0 372.513 2.925 20 10 FFCDRN COCc1ccccc1C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000057176570 507196508 /nfs/dbraw/zinc/19/65/08/507196508.db2.gz NJIHVRGXXOANEX-UHFFFAOYSA-N 0 0 372.440 2.863 20 10 FFCDRN CC(C)CS(=O)(=O)CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000048146200 507462531 /nfs/dbraw/zinc/46/25/31/507462531.db2.gz YXTFUCGIWUEBFM-UHFFFAOYSA-N 0 0 366.527 2.706 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@@H]1CCCc2[nH]c(=O)ccc21 ZINC000048454698 507526081 /nfs/dbraw/zinc/52/60/81/507526081.db2.gz DTGZBNBJBXBAQP-LJQANCHMSA-N 0 0 366.465 2.852 20 10 FFCDRN CC(C)[C@H](NC(=O)c1ccco1)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000027393262 507653046 /nfs/dbraw/zinc/65/30/46/507653046.db2.gz VHBHOANNXTUEIM-SFHVURJKSA-N 0 0 357.454 2.759 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CCc2nc(-c3ccco3)no2)cc1 ZINC000028495570 507727538 /nfs/dbraw/zinc/72/75/38/507727538.db2.gz AZOVPZZFZDSUHV-UHFFFAOYSA-N 0 0 354.410 2.987 20 10 FFCDRN CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)N(C)Cc2ccc(N(C)C)cc2)C1 ZINC000078353202 507863892 /nfs/dbraw/zinc/86/38/92/507863892.db2.gz YXKPKQANHGKHLW-UVNWJPITSA-N 0 0 365.543 2.974 20 10 FFCDRN CC1CCN(c2ccc(CNC(=O)CCCNC(=O)C3CC3)cc2)CC1 ZINC000108295526 507885532 /nfs/dbraw/zinc/88/55/32/507885532.db2.gz FIQMJJKMUCNUQS-UHFFFAOYSA-N 0 0 357.498 2.846 20 10 FFCDRN COCCn1nc(C)c(NC(=O)NCc2ccc(N(C)C)c(F)c2)c1C ZINC000090154112 507912568 /nfs/dbraw/zinc/91/25/68/507912568.db2.gz PLFYHWNBDSTCKH-UHFFFAOYSA-N 0 0 363.437 2.673 20 10 FFCDRN CSC1(CNC(=O)NCc2ccc3c(c2)CCCN3C)CCOCC1 ZINC000073917309 507966974 /nfs/dbraw/zinc/96/69/74/507966974.db2.gz YOUYXZZBIKTCSG-UHFFFAOYSA-N 0 0 363.527 2.780 20 10 FFCDRN CC[C@H](CSC)N(C)C(=O)NCc1ccc(N2CCOCC2)c(F)c1 ZINC000091213087 507969174 /nfs/dbraw/zinc/96/91/74/507969174.db2.gz HZTIVYIONLSDHZ-OAHLLOKOSA-N 0 0 369.506 2.945 20 10 FFCDRN COc1cccc(CNc2nc3ccccc3nc2N2CCOCC2)c1O ZINC000091479358 507988961 /nfs/dbraw/zinc/98/89/61/507988961.db2.gz FMNKJSQBYUIWHA-UHFFFAOYSA-N 0 0 366.421 2.793 20 10 FFCDRN C[C@H](NC(=O)NCc1ccc(N2CCOCC2)cc1)c1cccc(O)c1 ZINC000112445129 508186186 /nfs/dbraw/zinc/18/61/86/508186186.db2.gz AYUSGKNHJJZEMH-HNNXBMFYSA-N 0 0 355.438 2.789 20 10 FFCDRN CCOc1ccccc1NC(=O)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000076562924 508224748 /nfs/dbraw/zinc/22/47/48/508224748.db2.gz MKADHYAOTXECLK-UHFFFAOYSA-N 0 0 368.433 2.925 20 10 FFCDRN C[C@@H](C(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)n1cccn1 ZINC000076875587 508259857 /nfs/dbraw/zinc/25/98/57/508259857.db2.gz GTKFXHYZDHNWLO-QFBILLFUSA-N 0 0 356.470 2.718 20 10 FFCDRN CCOCc1cccc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)c1 ZINC000102584414 508278236 /nfs/dbraw/zinc/27/82/36/508278236.db2.gz MOSKWGNXJWELEC-UHFFFAOYSA-N 0 0 369.465 2.886 20 10 FFCDRN COc1ccc(N2CCN(Cc3nnc(-c4ccco4)o3)CC2)cc1F ZINC000084866635 508295303 /nfs/dbraw/zinc/29/53/03/508295303.db2.gz WDHCIZOJITUEKB-UHFFFAOYSA-N 0 0 358.373 2.800 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1COc2ccccc2C1 ZINC000077666199 508347200 /nfs/dbraw/zinc/34/72/00/508347200.db2.gz JUMQKWZUMDLDIH-KRWDZBQOSA-N 0 0 370.424 2.530 20 10 FFCDRN CN(C)c1ccc(CNC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1F ZINC000121738761 508407136 /nfs/dbraw/zinc/40/71/36/508407136.db2.gz WNNTVWHSYGECJK-AWEZNQCLSA-N 0 0 359.376 2.773 20 10 FFCDRN COc1ccc(C)nc1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000127553301 508467835 /nfs/dbraw/zinc/46/78/35/508467835.db2.gz NJVVBEPRYNBPGW-UHFFFAOYSA-N 0 0 356.426 2.557 20 10 FFCDRN CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3cc(C)n(-c4ccccn4)c3C)[C@@H]2C1 ZINC000127744176 508494631 /nfs/dbraw/zinc/49/46/31/508494631.db2.gz UEZVHIOHPNNMHY-QRQLOZEOSA-N 0 0 369.465 2.898 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)cc1)c1csc([C@@H]2CCCO2)n1 ZINC000122276915 508510313 /nfs/dbraw/zinc/51/03/13/508510313.db2.gz TYIRBOXTFYDNAY-KRWDZBQOSA-N 0 0 373.478 2.761 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000153193677 508557148 /nfs/dbraw/zinc/55/71/48/508557148.db2.gz DTPNJICYMXFSGY-KRWDZBQOSA-N 0 0 354.454 2.988 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000153193580 508557287 /nfs/dbraw/zinc/55/72/87/508557287.db2.gz DTPNJICYMXFSGY-QGZVFWFLSA-N 0 0 354.454 2.988 20 10 FFCDRN CS(=O)(=O)c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)cc1 ZINC000159343742 508828507 /nfs/dbraw/zinc/82/85/07/508828507.db2.gz SVPGUWMFAOHJRB-UHFFFAOYSA-N 0 0 364.442 2.678 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCc3ccc(C)nc3)CC2)cc1F ZINC000120015569 508910481 /nfs/dbraw/zinc/91/04/81/508910481.db2.gz TXBQOGPOAXAONX-UHFFFAOYSA-N 0 0 358.417 2.570 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000125308391 508963586 /nfs/dbraw/zinc/96/35/86/508963586.db2.gz LDTVCDHUCHXLDA-KRWDZBQOSA-N 0 0 361.486 2.622 20 10 FFCDRN O=C(NCCc1cn2c(n1)CCCC2)NCc1ccc(N2CC=CC2)cc1 ZINC000125352964 508970557 /nfs/dbraw/zinc/97/05/57/508970557.db2.gz HCNQHNGQXVPUIP-UHFFFAOYSA-N 0 0 365.481 2.638 20 10 FFCDRN Nc1ccc(CC(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1 ZINC000151213402 508979492 /nfs/dbraw/zinc/97/94/92/508979492.db2.gz BYLIZANYSJFFQM-UHFFFAOYSA-N 0 0 373.840 2.576 20 10 FFCDRN C[C@@H]1CCN(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)C[C@H]1C ZINC000160626771 509012570 /nfs/dbraw/zinc/01/25/70/509012570.db2.gz WVRXMVGJWVHFDE-HUUCEWRRSA-N 0 0 363.477 2.974 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)N[C@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000151579207 509046474 /nfs/dbraw/zinc/04/64/74/509046474.db2.gz JWDJDXURBQXUTG-AABGKKOBSA-N 0 0 373.497 2.622 20 10 FFCDRN Cc1ccc([C@@H](O)CNC(=O)/C=C/c2ccc(N3CCOCC3)cc2)cc1 ZINC000133445930 509160786 /nfs/dbraw/zinc/16/07/86/509160786.db2.gz KQZIBSVCWMAFIQ-LTSKSLEPSA-N 0 0 366.461 2.695 20 10 FFCDRN Cc1nc2n(n1)C[C@H](NC(=O)N(Cc1ccc(N(C)C)cc1)C(C)C)CC2 ZINC000266822087 509211478 /nfs/dbraw/zinc/21/14/78/509211478.db2.gz LSWANYSKOVWLOI-QGZVFWFLSA-N 0 0 370.501 2.588 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNc3nc4ccccc4n3C)cc2)CC1 ZINC000191859042 509215830 /nfs/dbraw/zinc/21/58/30/509215830.db2.gz OXKJZYNFEKFWPY-UHFFFAOYSA-N 0 0 363.465 2.854 20 10 FFCDRN C[C@H](c1nccs1)N1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1 ZINC000185552271 509232426 /nfs/dbraw/zinc/23/24/26/509232426.db2.gz LYKPANRBSUQQMH-OAHLLOKOSA-N 0 0 373.526 2.798 20 10 FFCDRN COCCOc1ccc(CC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 ZINC000191889505 509232771 /nfs/dbraw/zinc/23/27/71/509232771.db2.gz JYJNWJNOIUVLSH-UHFFFAOYSA-N 0 0 356.466 2.979 20 10 FFCDRN Cc1ccc(C)n1-c1ccsc1C(=O)N1CCS(=O)(=O)C[C@@H](C)C1 ZINC000191896000 509235838 /nfs/dbraw/zinc/23/58/38/509235838.db2.gz SOOWGVCBPCXSCF-LBPRGKRZSA-N 0 0 366.508 2.662 20 10 FFCDRN C[C@H](C[S@](C)=O)NC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 ZINC000182572013 509310767 /nfs/dbraw/zinc/31/07/67/509310767.db2.gz BBBRZMRSQSGZJI-MYYSRTQBSA-N 0 0 351.516 2.585 20 10 FFCDRN CC1([C@@H]2CCCN(C(=O)NCc3ccc(N4CC=CC4)cc3)C2)OCCO1 ZINC000182745969 509405448 /nfs/dbraw/zinc/40/54/48/509405448.db2.gz XWWQYBIPXVRVSZ-GOSISDBHSA-N 0 0 371.481 2.747 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cccc(C[S@@](C)=O)c1 ZINC000173185563 509443860 /nfs/dbraw/zinc/44/38/60/509443860.db2.gz DHGDCENINKGEAC-RUZDIDTESA-N 0 0 358.463 2.670 20 10 FFCDRN COc1cc(C(=O)N2CCOc3cc(N(C)C)ccc32)ccc1[N+](=O)[O-] ZINC000173193571 509446802 /nfs/dbraw/zinc/44/68/02/509446802.db2.gz MDNMSHKOQCUCAF-UHFFFAOYSA-N 0 0 357.366 2.709 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)c1cc(Br)c[nH]1 ZINC000173194960 509449001 /nfs/dbraw/zinc/44/90/01/509449001.db2.gz UAPBVHNLIXRQCJ-UHFFFAOYSA-N 0 0 350.216 2.882 20 10 FFCDRN COc1ccc(C(=O)N2CCOc3cc(N(C)C)ccc32)cc1[N+](=O)[O-] ZINC000173197626 509450996 /nfs/dbraw/zinc/45/09/96/509450996.db2.gz OUZBSZFNPZDDOD-UHFFFAOYSA-N 0 0 357.366 2.709 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCc1nc(-c2ccco2)no1 ZINC000173204123 509454081 /nfs/dbraw/zinc/45/40/81/509454081.db2.gz JBFOVUZGKAMUSI-UHFFFAOYSA-N 0 0 368.393 2.754 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)CCOc1ccccc1[N+](=O)[O-] ZINC000173204669 509454319 /nfs/dbraw/zinc/45/43/19/509454319.db2.gz WKQPMDYDULUEAX-UHFFFAOYSA-N 0 0 371.393 2.855 20 10 FFCDRN CO[C@@H](C(=O)N(C)Cc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000182917001 509494967 /nfs/dbraw/zinc/49/49/67/509494967.db2.gz UIJHYQNXMHCGGL-HXUWFJFHSA-N 0 0 354.450 2.869 20 10 FFCDRN COc1ccc2c(c1)C(=O)N(C1CC1)[C@H](c1cc3c(cc1O)OCO3)N2 ZINC000264398665 509503952 /nfs/dbraw/zinc/50/39/52/509503952.db2.gz GLICRKJBURMIIO-GOSISDBHSA-N 0 0 354.362 2.858 20 10 FFCDRN CN(C(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccc(N2CCOCC2)nc1 ZINC000182943164 509508126 /nfs/dbraw/zinc/50/81/26/509508126.db2.gz PPOMFEZBALBIGD-RMKNXTFCSA-N 0 0 368.393 2.503 20 10 FFCDRN Cc1n[nH]c(C(=O)NCc2ccc(N3CCC(C)CC3)cc2)c1[N+](=O)[O-] ZINC000264441558 509529202 /nfs/dbraw/zinc/52/92/02/509529202.db2.gz FXVLBRBKMWVFBY-UHFFFAOYSA-N 0 0 357.414 2.793 20 10 FFCDRN O=C([C@H]1CSCCS1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000267536193 509532988 /nfs/dbraw/zinc/53/29/88/509532988.db2.gz YNKVSRJCABKUSH-GDBMZVCRSA-N 0 0 353.509 2.748 20 10 FFCDRN C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)c1ccc(F)cc1[O-] ZINC000186141213 509543049 /nfs/dbraw/zinc/54/30/49/509543049.db2.gz HXFHQVHMWAQWRN-LLVKDONJSA-N 0 0 358.460 2.564 20 10 FFCDRN Cc1cc(Br)cc(CN(C2CC2)[C@H]2CCS(=O)(=O)C2)c1O ZINC000179710538 509584941 /nfs/dbraw/zinc/58/49/41/509584941.db2.gz OZVFGGXEUKIJHS-AWEZNQCLSA-N 0 0 374.300 2.615 20 10 FFCDRN COc1cccc(CNc2cccc(N3CCN(C(C)=O)CC3)c2)c1O ZINC000189485432 509598830 /nfs/dbraw/zinc/59/88/30/509598830.db2.gz QXSNSEIBMNOBJR-UHFFFAOYSA-N 0 0 355.438 2.681 20 10 FFCDRN COC(=O)c1cc(/C=C2/SC(=S)N(CCCSC)C2=O)c[nH]1 ZINC000267800665 509618938 /nfs/dbraw/zinc/61/89/38/509618938.db2.gz PZYORYBSKWCQRO-YRNVUSSQSA-N 0 0 356.494 2.756 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1ccccc1N1CCCC1=O ZINC000267921252 509670387 /nfs/dbraw/zinc/67/03/87/509670387.db2.gz JXSBZSLFEHRYDD-UHFFFAOYSA-N 0 0 355.394 2.589 20 10 FFCDRN CC(C)CNC(=O)c1ccc(NC(=O)NCCc2ccc(O)c(O)c2)cc1 ZINC000267922913 509672404 /nfs/dbraw/zinc/67/24/04/509672404.db2.gz KPFRMSBSTHGQLZ-UHFFFAOYSA-N 0 0 371.437 2.848 20 10 FFCDRN COCc1ccccc1CNC(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000264740829 509677006 /nfs/dbraw/zinc/67/70/06/509677006.db2.gz MNLONIFAOABWKB-DHZHZOJOSA-N 0 0 366.461 2.999 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)NC1Cc2ccccc2C1 ZINC000186509448 509746566 /nfs/dbraw/zinc/74/65/66/509746566.db2.gz CEUVPYFDZIVTPJ-UHFFFAOYSA-N 0 0 369.440 2.629 20 10 FFCDRN O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)[C@H]1CC1(Cl)Cl ZINC000176984405 509800252 /nfs/dbraw/zinc/80/02/52/509800252.db2.gz QFWDSDIGKLRUIZ-GFCCVEGCSA-N 0 0 361.244 2.597 20 10 FFCDRN COc1cc(N2CCN(C(=O)[C@@H]3C[C@H]3C(C)C)CC2)cc(OC)c1OC ZINC000186711902 509866418 /nfs/dbraw/zinc/86/64/18/509866418.db2.gz CLQCRODWQZNEET-JKSUJKDBSA-N 0 0 362.470 2.653 20 10 FFCDRN CC[S@@](=O)c1ccccc1C(=O)N1CCSC2(CCOCC2)C1 ZINC000186828710 509907917 /nfs/dbraw/zinc/90/79/17/509907917.db2.gz PSEJNKWPHIFIFW-HSZRJFAPSA-N 0 0 353.509 2.552 20 10 FFCDRN Cc1[nH]nc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c1C ZINC000265188277 509909545 /nfs/dbraw/zinc/90/95/45/509909545.db2.gz HACMDMILDDOQHW-TXEJJXNPSA-N 0 0 360.433 2.709 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000174062445 509929385 /nfs/dbraw/zinc/92/93/85/509929385.db2.gz KFDSHUFSWGKYHT-UHFFFAOYSA-N 0 0 367.858 2.530 20 10 FFCDRN C[C@@H]1Cc2cc(S(=O)(=O)N3CCOc4cc(N(C)C)ccc43)ccc2O1 ZINC000174062735 509929457 /nfs/dbraw/zinc/92/94/57/509929457.db2.gz ZADDCKZEMUJGGZ-CYBMUJFWSA-N 0 0 374.462 2.664 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNC(=O)CC3CCOCC3)cc2F)C[C@@H](C)O1 ZINC000265264162 509954191 /nfs/dbraw/zinc/95/41/91/509954191.db2.gz BFFXDUCXDJDKAS-HUUCEWRRSA-N 0 0 364.461 2.872 20 10 FFCDRN COc1ccc(N2CCN(C(=O)CSCC[C@H]3CCCO3)CC2)cc1 ZINC000190145051 509965402 /nfs/dbraw/zinc/96/54/02/509965402.db2.gz JWWXLZYKOXFNPH-GOSISDBHSA-N 0 0 364.511 2.646 20 10 FFCDRN COc1cc(Br)cc(CN2CCOC3(CCOCC3)C2)c1O ZINC000180525752 509965465 /nfs/dbraw/zinc/96/54/65/509965465.db2.gz RZHWEKHSEVKLHR-UHFFFAOYSA-N 0 0 372.259 2.545 20 10 FFCDRN COC(=O)COc1ccc(N(C)Cc2nccn2CC(F)(F)F)cc1 ZINC000183813913 509988380 /nfs/dbraw/zinc/98/83/80/509988380.db2.gz AMZFNLOFFPOHBR-UHFFFAOYSA-N 0 0 357.332 2.634 20 10 FFCDRN Cn1ccc(C(=O)NCc2ccc(N3CCOCC3)cc2C(F)(F)F)c1 ZINC000268588087 510023838 /nfs/dbraw/zinc/02/38/38/510023838.db2.gz FILZOXJUJUGXOS-UHFFFAOYSA-N 0 0 367.371 2.811 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N1CCCN(C(=O)c2ccsc2)CC1 ZINC000180685499 510054704 /nfs/dbraw/zinc/05/47/04/510054704.db2.gz SPBCAGLCASLHIH-HWKANZROSA-N 0 0 372.446 2.547 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000180769869 510100119 /nfs/dbraw/zinc/10/01/19/510100119.db2.gz QIUQADLAWXECCU-IZPAUZPXSA-N 0 0 372.808 2.686 20 10 FFCDRN O=C(/C=C/c1ccc(O)c(O)c1)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000180802540 510117619 /nfs/dbraw/zinc/11/76/19/510117619.db2.gz ACTRDQYCVIUFGE-FTPZRKARSA-N 0 0 372.808 2.686 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3cccc(F)c3F)cc2)CC1 ZINC000190582584 510220833 /nfs/dbraw/zinc/22/08/33/510220833.db2.gz ZNULKWMYDFGGNX-UHFFFAOYSA-N 0 0 373.403 2.563 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)c3ccc(F)cc3C)cc2)CC1 ZINC000190582633 510221272 /nfs/dbraw/zinc/22/12/72/510221272.db2.gz OVDZMQLQGKAXMM-UHFFFAOYSA-N 0 0 369.440 2.733 20 10 FFCDRN CC(=O)N1CCN(c2ccc(CNC(=O)CCC3CCCC3)cc2)CC1 ZINC000190585357 510221841 /nfs/dbraw/zinc/22/18/41/510221841.db2.gz ZSILXSKEDWDMJK-UHFFFAOYSA-N 0 0 357.498 2.942 20 10 FFCDRN CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)/C=C/c2ccc(O)c(O)c2)C1 ZINC000180997761 510230932 /nfs/dbraw/zinc/23/09/32/510230932.db2.gz KTZFIHQYPZEBDO-ZYUDAIQPSA-N 0 0 360.454 2.654 20 10 FFCDRN COCc1nc(C)cc(NCc2ccc(N3CCC(O)CC3)c(F)c2)n1 ZINC000266027548 510367406 /nfs/dbraw/zinc/36/74/06/510367406.db2.gz RGPPONRHPSCNSC-UHFFFAOYSA-N 0 0 360.433 2.644 20 10 FFCDRN [O-]c1c(Br)cc(Br)cc1C[NH2+]CCCCO ZINC000194531132 510411762 /nfs/dbraw/zinc/41/17/62/510411762.db2.gz QLNQDYQFSRXXHM-UHFFFAOYSA-N 0 0 353.054 2.779 20 10 FFCDRN CCc1ccnc(C(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1 ZINC000181474649 510429365 /nfs/dbraw/zinc/42/93/65/510429365.db2.gz KUJAONFXTFRBHC-UHFFFAOYSA-N 0 0 357.429 2.674 20 10 FFCDRN O=C(CCc1ccc(OC(F)F)cc1)NCCc1ccc(O)c(O)c1 ZINC000269509916 510442158 /nfs/dbraw/zinc/44/21/58/510442158.db2.gz WOLHFRBKTFJNGX-UHFFFAOYSA-N 0 0 351.349 2.991 20 10 FFCDRN COc1cc(Cl)cc(CN2CCN(C(=O)c3ccco3)CC2)c1O ZINC000184672232 510453099 /nfs/dbraw/zinc/45/30/99/510453099.db2.gz YIHLCLWESRQSLW-UHFFFAOYSA-N 0 0 350.802 2.605 20 10 FFCDRN COc1cccc(CNC(=O)NCc2ncc(-c3ccccc3)cn2)c1O ZINC000184696172 510467679 /nfs/dbraw/zinc/46/76/79/510467679.db2.gz BRKBSYWIIDDBNX-UHFFFAOYSA-N 0 0 364.405 2.857 20 10 FFCDRN CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cnn(C(C)C)c1 ZINC000266253639 510483369 /nfs/dbraw/zinc/48/33/69/510483369.db2.gz XHFURHXUCADLDF-UHFFFAOYSA-N 0 0 350.488 2.741 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccc(C=O)[nH]2)cc1 ZINC000175181314 510520754 /nfs/dbraw/zinc/52/07/54/510520754.db2.gz XZWDNLWBADQXEB-GOSISDBHSA-N 0 0 355.438 2.715 20 10 FFCDRN CN(C)c1ccc2c(c1)OCCN2C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 ZINC000266359244 510538669 /nfs/dbraw/zinc/53/86/69/510538669.db2.gz RKPSOVWGIGTUKJ-HNNXBMFYSA-N 0 0 369.396 2.743 20 10 FFCDRN CC(=O)c1cc(F)cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000181805005 510603487 /nfs/dbraw/zinc/60/34/87/510603487.db2.gz MALYUNXLBPHFOR-QGZVFWFLSA-N 0 0 365.426 2.609 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](O)c2cnn(C)c2)c(C)n1-c1cccc(C)c1 ZINC000266551591 510654448 /nfs/dbraw/zinc/65/44/48/510654448.db2.gz LOLGPZKNOUWCKP-LJQANCHMSA-N 0 0 352.438 2.599 20 10 FFCDRN Cc1ccc(CN2C(=O)CC[C@H]2C(=O)N(C)Cc2ccccc2O)cc1 ZINC000175504090 510666853 /nfs/dbraw/zinc/66/68/53/510666853.db2.gz KGBRYEFNVHLNIV-SFHVURJKSA-N 0 0 352.434 2.850 20 10 FFCDRN C[C@@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)O1 ZINC000175529327 510670751 /nfs/dbraw/zinc/67/07/51/510670751.db2.gz YPEYFHVEPVULSD-OXQOHEQNSA-N 0 0 360.498 2.859 20 10 FFCDRN C[C@@H]1CC[C@H](CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1 ZINC000175541781 510674692 /nfs/dbraw/zinc/67/46/92/510674692.db2.gz SNJZHQYPVYTTAH-GDBMZVCRSA-N 0 0 350.434 2.626 20 10 FFCDRN CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)C[C@@](C)(O)C2CC2)cc1 ZINC000270097319 510674636 /nfs/dbraw/zinc/67/46/36/510674636.db2.gz PVBYRSWLNZWGNA-TZIWHRDSSA-N 0 0 360.498 2.811 20 10 FFCDRN C[C@H]1CC[C@@H](CCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)O1 ZINC000175541834 510675242 /nfs/dbraw/zinc/67/52/42/510675242.db2.gz SNJZHQYPVYTTAH-HOCLYGCPSA-N 0 0 350.434 2.626 20 10 FFCDRN CC1(C2CCN(C(=O)NCc3ccc(N4CC=CC4)cc3)CC2)OCCO1 ZINC000270140635 510689998 /nfs/dbraw/zinc/68/99/98/510689998.db2.gz IFYYBSNTOWWAQR-UHFFFAOYSA-N 0 0 371.481 2.747 20 10 FFCDRN CCOCCO[C@H]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000178637084 510699438 /nfs/dbraw/zinc/69/94/38/510699438.db2.gz OPIKNBFMPLEWID-IBGZPJMESA-N 0 0 361.486 2.624 20 10 FFCDRN COc1ccc(N2CCN(C(=O)NCc3ccncc3C)CC2)cc1F ZINC000188314269 510703741 /nfs/dbraw/zinc/70/37/41/510703741.db2.gz GSKPHMDOHNPAQZ-UHFFFAOYSA-N 0 0 358.417 2.570 20 10 FFCDRN O=C(NCc1ccc(N2CCCC2)cc1)N[C@H]1CCN(c2ccccn2)C1 ZINC000178729362 510741419 /nfs/dbraw/zinc/74/14/19/510741419.db2.gz ORIRMVHEXYUMBP-SFHVURJKSA-N 0 0 365.481 2.760 20 10 FFCDRN CCCCn1nccc1NC(=O)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178778278 510767002 /nfs/dbraw/zinc/76/70/02/510767002.db2.gz YYMNKTIOZKUHLQ-UHFFFAOYSA-N 0 0 369.469 2.538 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1cnc(C)cn1 ZINC000175843085 510819583 /nfs/dbraw/zinc/81/95/83/510819583.db2.gz BGONRHJIVNZCFB-UHFFFAOYSA-N 0 0 350.216 2.915 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N2CC[S@@](=O)C[C@@H](C)C2)cc1F ZINC000297272925 510881930 /nfs/dbraw/zinc/88/19/30/510881930.db2.gz OZOPGJXSOVAJSX-HWRSSNJWSA-N 0 0 369.506 2.582 20 10 FFCDRN Cc1c([C@H]2OCC[C@@H]2C(=O)NCc2c(O)ccc3c2CCCC3)cnn1C ZINC000275801953 510917471 /nfs/dbraw/zinc/91/74/71/510917471.db2.gz XRPLLCISYQDICD-JXFKEZNVSA-N 0 0 369.465 2.707 20 10 FFCDRN CCSc1cccc(NC(=O)C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1 ZINC000276064226 510925863 /nfs/dbraw/zinc/92/58/63/510925863.db2.gz KXRAJKUEOFPOPK-LBPRGKRZSA-N 0 0 374.462 2.896 20 10 FFCDRN CN(Cc1ccccc1O)C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000270619139 510926907 /nfs/dbraw/zinc/92/69/07/510926907.db2.gz GRZNVNAPDSNQNY-HNNXBMFYSA-N 0 0 363.458 2.933 20 10 FFCDRN COc1ccc(F)c(C(=O)NCc2ccc(N3CCOCC3)cc2)c1OC ZINC000276439807 510938398 /nfs/dbraw/zinc/93/83/98/510938398.db2.gz HEKUHLVMWRPIIY-UHFFFAOYSA-N 0 0 374.412 2.610 20 10 FFCDRN CN(C)c1ccc(CNC(=O)CSCC(=O)Nc2ccccc2)cc1 ZINC000282344010 510938901 /nfs/dbraw/zinc/93/89/01/510938901.db2.gz ZVFAEYHBDZNYDN-UHFFFAOYSA-N 0 0 357.479 2.741 20 10 FFCDRN O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1c(F)ccc(O)c1O ZINC000276506750 510940691 /nfs/dbraw/zinc/94/06/91/510940691.db2.gz APROQRIUQRVSJM-UHFFFAOYSA-N 0 0 363.360 2.854 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccccc1N1CCCC1=O ZINC000276588423 510943256 /nfs/dbraw/zinc/94/32/56/510943256.db2.gz VYXXGBYJQMSHFW-CYBMUJFWSA-N 0 0 369.421 2.977 20 10 FFCDRN CC1(C)CN(C(=O)NCc2ccc(N3CCOCC3)cc2)CC(C)(C)O1 ZINC000276861704 510948234 /nfs/dbraw/zinc/94/82/34/510948234.db2.gz CQTHKVQGVDOOCQ-UHFFFAOYSA-N 0 0 361.486 2.622 20 10 FFCDRN CCNC(=O)c1ccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc1 ZINC000276911725 510950216 /nfs/dbraw/zinc/95/02/16/510950216.db2.gz RHGCVUVHAXDCMJ-LBPRGKRZSA-N 0 0 357.410 2.600 20 10 FFCDRN CC1(C)C[C@@H](N2C(=O)CN(Cc3cc(Cl)ccc3O)C2=O)CCO1 ZINC000277256867 510958036 /nfs/dbraw/zinc/95/80/36/510958036.db2.gz IKPWHRWAKJLYOC-ZDUSSCGKSA-N 0 0 352.818 2.767 20 10 FFCDRN CCCCN(Cc1nnnn1CC1CCOCC1)Cc1ccccc1O ZINC000282392551 510958303 /nfs/dbraw/zinc/95/83/03/510958303.db2.gz HAOQTKKJNYPAKS-UHFFFAOYSA-N 0 0 359.474 2.608 20 10 FFCDRN OC1CCN(c2ccc(CNc3cc(N4CCCC4)ncn3)cc2F)CC1 ZINC000277387980 510962250 /nfs/dbraw/zinc/96/22/50/510962250.db2.gz IRUORCUJVABZSY-UHFFFAOYSA-N 0 0 371.460 2.789 20 10 FFCDRN O=C(NCc1cccc(Br)c1O)N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000277414036 510962419 /nfs/dbraw/zinc/96/24/19/510962419.db2.gz KQFGYBIOXCLCGA-GXTWGEPZSA-N 0 0 369.259 2.912 20 10 FFCDRN COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2O)C1 ZINC000277605817 510967245 /nfs/dbraw/zinc/96/72/45/510967245.db2.gz USUPNYDSPFHOSY-MNOVXSKESA-N 0 0 370.243 2.750 20 10 FFCDRN CN(C)c1ccc(CNC(=O)N2CCC[C@@H]([C@@H](O)C(F)(F)F)C2)cc1 ZINC000277671435 510969627 /nfs/dbraw/zinc/96/96/27/510969627.db2.gz DPAXNTNBXKILOJ-UKRRQHHQSA-N 0 0 359.392 2.597 20 10 FFCDRN CCN(CC)c1ccc(CN2C(=O)NC3(CCSCC3)C2=O)cc1F ZINC000277761800 510971828 /nfs/dbraw/zinc/97/18/28/510971828.db2.gz JYBWREUPJMHODD-UHFFFAOYSA-N 0 0 365.474 2.990 20 10 FFCDRN COc1cccc(CNC(=O)CC[C@@H](C)NC(=O)OC(C)(C)C)c1O ZINC000277852840 510974663 /nfs/dbraw/zinc/97/46/63/510974663.db2.gz ZPFPQSLSBYUTAA-GFCCVEGCSA-N 0 0 352.431 2.710 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1[C@@H]1CCOC2(CCC2)C1 ZINC000277874102 510974867 /nfs/dbraw/zinc/97/48/67/510974867.db2.gz FYMJZDRMFQHJBH-CQSZACIVSA-N 0 0 364.829 2.912 20 10 FFCDRN O=C1CN(Cc2cc(Cl)ccc2O)C(=O)N1CC1CCSCC1 ZINC000278116846 510981779 /nfs/dbraw/zinc/98/17/79/510981779.db2.gz ZVOLLJHMJPQFHQ-UHFFFAOYSA-N 0 0 354.859 2.953 20 10 FFCDRN CCCCN(Cc1ccccc1O)C(=O)CSc1nnnn1C1CC1 ZINC000282459588 510987082 /nfs/dbraw/zinc/98/70/82/510987082.db2.gz JOMZYFFIKGWPRN-UHFFFAOYSA-N 0 0 361.471 2.635 20 10 FFCDRN Cc1cccnc1C(F)(F)C(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000278427352 510992014 /nfs/dbraw/zinc/99/20/14/510992014.db2.gz JNDAPVOAXLNGAB-UHFFFAOYSA-N 0 0 361.392 2.635 20 10 FFCDRN COc1c(O)c(C[NH2+]CC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000278517348 510995571 /nfs/dbraw/zinc/99/55/71/510995571.db2.gz RFMHDAKPSLPMDH-UHFFFAOYSA-N 0 0 359.382 2.654 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+]CCOCC(F)(F)C(F)F)c1 ZINC000278586648 511000323 /nfs/dbraw/zinc/00/03/23/511000323.db2.gz YMPHEWOUNYKUCN-SECBINFHSA-N 0 0 353.312 2.746 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000278755659 511006275 /nfs/dbraw/zinc/00/62/75/511006275.db2.gz SMLOMKNWWGIJKI-QGZVFWFLSA-N 0 0 371.485 2.716 20 10 FFCDRN COCCO[C@H]1C[C@H](CO)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000278750713 511006714 /nfs/dbraw/zinc/00/67/14/511006714.db2.gz SDXWIMXZGJCXSU-FZMZJTMJSA-N 0 0 364.269 2.545 20 10 FFCDRN COc1c(O)c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886424 511012282 /nfs/dbraw/zinc/01/22/82/511012282.db2.gz OZNOXZKRQUNOCZ-HIFRSBDPSA-N 0 0 362.382 2.990 20 10 FFCDRN C[C@H]([NH2+]C[C@@H](N1CCOCC1)C(F)(F)F)c1ccc(F)c(F)c1[O-] ZINC000285850177 511015201 /nfs/dbraw/zinc/01/52/01/511015201.db2.gz ZCPFPAWGUKRPPT-JOYOIKCWSA-N 0 0 354.319 2.584 20 10 FFCDRN CC[C@H](NC(=O)NCc1ccc(N2CCCC2)cc1)[C@H](O)C(F)(F)F ZINC000270889221 511016702 /nfs/dbraw/zinc/01/67/02/511016702.db2.gz OSIHWOCISOYXGS-GJZGRUSLSA-N 0 0 359.392 2.788 20 10 FFCDRN CC(C)c1nnc(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)s1 ZINC000282540420 511018375 /nfs/dbraw/zinc/01/83/75/511018375.db2.gz XNEPZTRLCOTKIN-UHFFFAOYSA-N 0 0 360.483 2.770 20 10 FFCDRN C[C@H]1COCC[C@H]1CNC(=O)NCc1cccc(Br)c1O ZINC000286690033 511029809 /nfs/dbraw/zinc/02/98/09/511029809.db2.gz CXUKZCUKZBLYDR-QWRGUYRKSA-N 0 0 357.248 2.627 20 10 FFCDRN Cn1cc(C[C@H]2CCN(C(=O)NCc3ccc4c(c3)CCCN4C)C2)cn1 ZINC000361403652 511043774 /nfs/dbraw/zinc/04/37/74/511043774.db2.gz JTHHOSKOCPRPPK-QGZVFWFLSA-N 0 0 367.497 2.577 20 10 FFCDRN CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)c1cccc(Cl)c1[O-] ZINC000287529817 511052379 /nfs/dbraw/zinc/05/23/79/511052379.db2.gz DPRUMNPMGUCUSE-MRXNPFEDSA-N 0 0 368.886 2.976 20 10 FFCDRN CC[C@H]([NH2+]CCOCCS(C)(=O)=O)c1cc(Cl)cc(Cl)c1[O-] ZINC000287611819 511054450 /nfs/dbraw/zinc/05/44/50/511054450.db2.gz JGNQGLSCOMAOTA-ZDUSSCGKSA-N 0 0 370.298 2.801 20 10 FFCDRN COc1ccc(N2CCN(CCNc3nccnc3C(F)F)CC2)cc1 ZINC000288271731 511069888 /nfs/dbraw/zinc/06/98/88/511069888.db2.gz ZGVOWLOKUHAWNU-UHFFFAOYSA-N 0 0 363.412 2.657 20 10 FFCDRN C[C@H]1CCCN(c2ccc(CNC(=O)CCS(C)(=O)=O)cc2Cl)C1 ZINC000282676656 511070113 /nfs/dbraw/zinc/07/01/13/511070113.db2.gz ODZKTOYNYHFJIL-ZDUSSCGKSA-N 0 0 372.918 2.627 20 10 FFCDRN C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000288439867 511075311 /nfs/dbraw/zinc/07/53/11/511075311.db2.gz DWIKKCVRIXNCKK-MGPUTAFESA-N 0 0 367.449 2.845 20 10 FFCDRN O=C(NCc1ccc(O)c(O)c1)C1(c2cncc(Br)c2)CC1 ZINC000282717298 511084457 /nfs/dbraw/zinc/08/44/57/511084457.db2.gz LKUHBFFYVOIYGT-UHFFFAOYSA-N 0 0 363.211 2.603 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)CCc2ccccc2C(N)=O)cc1 ZINC000279444262 511085566 /nfs/dbraw/zinc/08/55/66/511085566.db2.gz YVZKLWWOUBBEKG-UHFFFAOYSA-N 0 0 353.466 2.881 20 10 FFCDRN CN(C[C@H]1CCCO1)C(=O)C(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000297871088 511095085 /nfs/dbraw/zinc/09/50/85/511095085.db2.gz NSMBSIYPLVSDGU-GOSISDBHSA-N 0 0 374.481 2.691 20 10 FFCDRN O=C(NCCc1ccc(O)c(O)c1)Nc1cccnc1OCC(F)F ZINC000271174950 511107413 /nfs/dbraw/zinc/10/74/13/511107413.db2.gz CPZODKLDLXCSCC-UHFFFAOYSA-N 0 0 353.325 2.501 20 10 FFCDRN COc1ccc(-c2nnc(N(C)Cc3ccccc3O)n2C)c(OC)c1 ZINC000289949913 511122113 /nfs/dbraw/zinc/12/21/13/511122113.db2.gz SJTNTEBDGKKTEQ-UHFFFAOYSA-N 0 0 354.410 2.841 20 10 FFCDRN CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1O ZINC000290249380 511132532 /nfs/dbraw/zinc/13/25/32/511132532.db2.gz JTOZRVSRNBPKKM-SNVBAGLBSA-N 0 0 350.278 2.629 20 10 FFCDRN COc1cc(N(C)Cc2cnc(C3OCCO3)s2)cc(OC)c1OC ZINC000290304008 511133827 /nfs/dbraw/zinc/13/38/27/511133827.db2.gz ICVXHRITZIELPK-UHFFFAOYSA-N 0 0 366.439 2.851 20 10 FFCDRN CCNC(=O)N1CCc2ccc(NC(=O)c3ccc(C)c(O)c3O)cc21 ZINC000271273535 511145967 /nfs/dbraw/zinc/14/59/67/511145967.db2.gz MKJBMEWOCOGSSV-UHFFFAOYSA-N 0 0 355.394 2.751 20 10 FFCDRN O=C(NCc1ccc(N2CCOCC2)c(F)c1)Nc1ccn2ccnc2c1 ZINC000290579996 511146241 /nfs/dbraw/zinc/14/62/41/511146241.db2.gz FUQNGHLZSFCVCZ-UHFFFAOYSA-N 0 0 369.400 2.632 20 10 FFCDRN Cc1ccc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)c(O)c1O ZINC000271304265 511157048 /nfs/dbraw/zinc/15/70/48/511157048.db2.gz UADURFVIZWZDGO-UHFFFAOYSA-N 0 0 364.442 2.878 20 10 FFCDRN O=[N+]([O-])c1cc(Cl)cc(C[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)c1[O-] ZINC000282927368 511165399 /nfs/dbraw/zinc/16/53/99/511165399.db2.gz WGVIQHLYZZZRLP-ZBEGNZNMSA-N 0 0 370.833 2.611 20 10 FFCDRN Cn1ccnc1[C@@H]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)C1 ZINC000362738270 511228846 /nfs/dbraw/zinc/22/88/46/511228846.db2.gz TVRUCRSBTPJNNB-QGZVFWFLSA-N 0 0 353.470 2.502 20 10 FFCDRN CCCCCC(=O)NC1CCN(C(=O)c2c(F)ccc(O)c2O)CC1 ZINC000295034250 511258573 /nfs/dbraw/zinc/25/85/73/511258573.db2.gz IOWPIFCQIOUYEF-UHFFFAOYSA-N 0 0 352.406 2.538 20 10 FFCDRN COC(=O)c1cnc(S[C@H](C)C(=O)NC(=O)NC2CCCCC2)s1 ZINC000295142589 511296503 /nfs/dbraw/zinc/29/65/03/511296503.db2.gz DHPLUFWQBVTCHN-SECBINFHSA-N 0 0 371.484 2.569 20 10 FFCDRN CN(C)c1ccc(CNc2cc(S(=O)(=O)N3CCCC3)ccn2)cc1 ZINC000280068501 511323685 /nfs/dbraw/zinc/32/36/85/511323685.db2.gz PNUZNHRBWCOUBL-UHFFFAOYSA-N 0 0 360.483 2.544 20 10 FFCDRN Cc1cccc(CC2(O)CCN(C(=O)c3c(F)ccc(O)c3O)CC2)c1 ZINC000295221939 511327806 /nfs/dbraw/zinc/32/78/06/511327806.db2.gz VTUJIBBWUXXWND-UHFFFAOYSA-N 0 0 359.397 2.755 20 10 FFCDRN CC(C)Oc1ccc(N(C)C(=O)c2cn(C)nc2-c2cnn(C)c2)cc1 ZINC000365240452 511337334 /nfs/dbraw/zinc/33/73/34/511337334.db2.gz FFSJVMTZHJKOLY-UHFFFAOYSA-N 0 0 353.426 2.884 20 10 FFCDRN COC(=O)c1cnc(SCC(=O)c2ccc(CNC(C)=O)s2)s1 ZINC000295275378 511345558 /nfs/dbraw/zinc/34/55/58/511345558.db2.gz KATUBDHTQZNESW-UHFFFAOYSA-N 0 0 370.477 2.602 20 10 FFCDRN CCOC(=O)[C@]1(CCSc2ncc(C(=O)OC)s2)CCCC1=O ZINC000295291289 511351449 /nfs/dbraw/zinc/35/14/49/511351449.db2.gz LOFNNMROGROWMG-HNNXBMFYSA-N 0 0 357.453 2.714 20 10 FFCDRN Cc1cc(C(=O)NC[C@@H](CO)[C@H]2CCOC2)c(C)n1-c1ccc(F)cc1 ZINC000280204143 511374407 /nfs/dbraw/zinc/37/44/07/511374407.db2.gz ALQQDPMNDJFMPC-HOTGVXAUSA-N 0 0 360.429 2.608 20 10 FFCDRN COCCOCc1ccc(CNC(=O)NCc2ccc(N(C)C)cc2)cc1 ZINC000291896067 511381850 /nfs/dbraw/zinc/38/18/50/511381850.db2.gz MROXSYQVCBXXRU-UHFFFAOYSA-N 0 0 371.481 2.915 20 10 FFCDRN COC(=O)c1cnc(S[C@@H](C)C(=O)NCc2cccc(OC)c2)s1 ZINC000295426257 511401267 /nfs/dbraw/zinc/40/12/67/511401267.db2.gz YQAPVZOOSSLBFB-JTQLQIEISA-N 0 0 366.464 2.735 20 10 FFCDRN COc1ccc(N2CCN(c3ncc(C(=O)N(C)C)cc3Cl)CC2)cc1 ZINC000298784057 511409810 /nfs/dbraw/zinc/40/98/10/511409810.db2.gz PCXYXTQPRREGGB-UHFFFAOYSA-N 0 0 374.872 2.772 20 10 FFCDRN COc1ccc(N2CCN(C(=O)Cc3c(C)nn(C(C)C)c3C)CC2)cc1 ZINC000291978224 511415273 /nfs/dbraw/zinc/41/52/73/511415273.db2.gz JGPWIGFSUSXLNL-UHFFFAOYSA-N 0 0 370.497 2.981 20 10 FFCDRN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)NCc1ccc(Cl)nc1 ZINC000298844091 511428013 /nfs/dbraw/zinc/42/80/13/511428013.db2.gz CDTXBCKRLYLOSZ-UHFFFAOYSA-N 0 0 374.872 2.913 20 10 FFCDRN C[C@@H]1C[N@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC2(CCOCC2)O1 ZINC000280382492 511445026 /nfs/dbraw/zinc/44/50/26/511445026.db2.gz FNMLGAZPONQTCZ-LLVKDONJSA-N 0 0 356.806 2.724 20 10 FFCDRN CCc1noc2ncc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)cc12 ZINC000298917506 511451898 /nfs/dbraw/zinc/45/18/98/511451898.db2.gz FYVJRUGJDWXRRO-UHFFFAOYSA-N 0 0 366.421 2.756 20 10 FFCDRN COc1cc(OC)c(CNC(=O)N(C)Cc2ccccc2O)c(OC)c1 ZINC000298951567 511463305 /nfs/dbraw/zinc/46/33/05/511463305.db2.gz LMHVKTPEJWANQM-UHFFFAOYSA-N 0 0 360.410 2.760 20 10 FFCDRN CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cccc(N)n2)cc1 ZINC000272354413 511491687 /nfs/dbraw/zinc/49/16/87/511491687.db2.gz REFGYDLVZJMDSQ-KRWDZBQOSA-N 0 0 354.454 2.551 20 10 FFCDRN O=C(Nc1ccncc1[N+](=O)[O-])N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000272656297 511502376 /nfs/dbraw/zinc/50/23/76/511502376.db2.gz GLNMZEGYNYAPAC-AWEZNQCLSA-N 0 0 372.381 2.909 20 10 FFCDRN COC(=O)c1cccc(NC(=O)NCc2ccc(N3CCOCC3)cc2)c1 ZINC000299113295 511519266 /nfs/dbraw/zinc/51/92/66/511519266.db2.gz XGBLMCPCWXLFGJ-UHFFFAOYSA-N 0 0 369.421 2.632 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@H](C)[NH2+]Cc2ccc(Cn3cncn3)cc2)c1 ZINC000273382842 511522621 /nfs/dbraw/zinc/52/26/21/511522621.db2.gz ISFIRIVWYWTKPO-AWEZNQCLSA-N 0 0 366.421 2.669 20 10 FFCDRN COC(=O)c1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)C(=O)NCc2ccccc2)c1 ZINC000273367247 511523494 /nfs/dbraw/zinc/52/34/94/511523494.db2.gz FHUUHHHAVJSTAY-KGLIPLIRSA-N 0 0 356.422 2.534 20 10 FFCDRN CCNC(=O)COc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000273394988 511525084 /nfs/dbraw/zinc/52/50/84/511525084.db2.gz LSGCOJJBQZABNZ-ZDUSSCGKSA-N 0 0 373.409 2.666 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCOCc3ccccc32)cc1 ZINC000280597144 511525512 /nfs/dbraw/zinc/52/55/12/511525512.db2.gz WYYJSYABQRYQDN-UHFFFAOYSA-N 0 0 353.466 2.748 20 10 FFCDRN CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000273484375 511528905 /nfs/dbraw/zinc/52/89/05/511528905.db2.gz MZAZLOCDKNUHHP-LBPRGKRZSA-N 0 0 364.423 2.945 20 10 FFCDRN Cc1cc(C)c([C@@H](C)Nc2cccc(C(=O)N(C)CC(N)=O)c2)c(O)c1 ZINC000283874124 511529210 /nfs/dbraw/zinc/52/92/10/511529210.db2.gz FGCFYWVESBEVNC-CQSZACIVSA-N 0 0 355.438 2.739 20 10 FFCDRN CCO[C@@H]1C[C@@H](NC(=O)NCc2ccc(N3CC=CC3)cc2)[C@]12CCCO2 ZINC000273645741 511561319 /nfs/dbraw/zinc/56/13/19/511561319.db2.gz IBJCNCFIKYYDKG-SFHLNBCPSA-N 0 0 371.481 2.589 20 10 FFCDRN CCN(CC(=O)Nc1cccc(C(=O)N(C)C)c1)c1ccc(OC)cc1 ZINC000299325361 511592965 /nfs/dbraw/zinc/59/29/65/511592965.db2.gz APBJFICLAGBFJQ-UHFFFAOYSA-N 0 0 355.438 2.862 20 10 FFCDRN C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc(N2CCC2=O)c1 ZINC000280778013 511599088 /nfs/dbraw/zinc/59/90/88/511599088.db2.gz HOLVNMQPUQGGFY-GFCCVEGCSA-N 0 0 355.394 2.587 20 10 FFCDRN O=C(C=Cc1c[nH]cn1)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1 ZINC000284089181 511601148 /nfs/dbraw/zinc/60/11/48/511601148.db2.gz SNVLIKOZOBDCBO-SMDADKPZSA-N 0 0 362.380 2.810 20 10 FFCDRN CC(C)C(=O)N1CCC(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000299395596 511620749 /nfs/dbraw/zinc/62/07/49/511620749.db2.gz VELMQENNVYJEDH-UHFFFAOYSA-N 0 0 357.498 2.580 20 10 FFCDRN COC1(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)CCOCC1 ZINC000284142960 511621788 /nfs/dbraw/zinc/62/17/88/511621788.db2.gz DVXAGBYATXIMQV-UHFFFAOYSA-N 0 0 365.385 2.596 20 10 FFCDRN CCCN(Cc1ccccc1O)C(=O)C(=O)NCCc1ccccc1F ZINC000284164418 511628654 /nfs/dbraw/zinc/62/86/54/511628654.db2.gz YRQYJTMEYVAUPB-UHFFFAOYSA-N 0 0 358.413 2.629 20 10 FFCDRN Cc1ocnc1C(=O)NCc1ccc(N2CCOCC2)cc1C(F)(F)F ZINC000299450761 511640629 /nfs/dbraw/zinc/64/06/29/511640629.db2.gz STEWSRBXYKBABE-UHFFFAOYSA-N 0 0 369.343 2.768 20 10 FFCDRN COc1c([O-])c(C[NH2+]Cc2ccccc2-n2ccnc2)ccc1[N+](=O)[O-] ZINC000365798986 511659180 /nfs/dbraw/zinc/65/91/80/511659180.db2.gz WFQSVQOXGSRTOT-UHFFFAOYSA-N 0 0 354.366 2.785 20 10 FFCDRN Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H](CNC(N)=O)C1 ZINC000299500698 511659702 /nfs/dbraw/zinc/65/97/02/511659702.db2.gz BIXHKGQILIOBMD-KRWDZBQOSA-N 0 0 368.481 2.923 20 10 FFCDRN COc1ccc(N2CCN(c3ncc(Br)cn3)CC2)cc1F ZINC000301581346 511697739 /nfs/dbraw/zinc/69/77/39/511697739.db2.gz SQQUFOCVAMXHLF-UHFFFAOYSA-N 0 0 367.222 2.713 20 10 FFCDRN CNS(=O)(=O)c1ccc(NCc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC000301833984 511703644 /nfs/dbraw/zinc/70/36/44/511703644.db2.gz KBRWGEWROSUKKA-UHFFFAOYSA-N 0 0 355.410 2.551 20 10 FFCDRN O=C(NCc1ccccc1O)Nc1ccc(CN2C(=O)CCCC2=O)cc1 ZINC000274072062 511711401 /nfs/dbraw/zinc/71/14/01/511711401.db2.gz VCVVCWDBBLTIHY-UHFFFAOYSA-N 0 0 367.405 2.753 20 10 FFCDRN COC(=O)c1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CC2)n1C ZINC000292840336 511740304 /nfs/dbraw/zinc/74/03/04/511740304.db2.gz QMEFAQAMTPOXCZ-UHFFFAOYSA-N 0 0 355.438 2.683 20 10 FFCDRN Cc1ccc(C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)c(O)c1O ZINC000293017980 511809554 /nfs/dbraw/zinc/80/95/54/511809554.db2.gz OMHFFQONFYKNSL-AAEUAGOBSA-N 0 0 350.415 2.534 20 10 FFCDRN CC(C)(C)OC(=O)Nc1cccc(C(=O)NCCc2ccc(O)c(O)c2)n1 ZINC000281380903 511825937 /nfs/dbraw/zinc/82/59/37/511825937.db2.gz URYGCUUBOAFEJP-UHFFFAOYSA-N 0 0 373.409 2.812 20 10 FFCDRN CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C(=O)Nc1cccc(F)n1 ZINC000284709567 511834157 /nfs/dbraw/zinc/83/41/57/511834157.db2.gz ISLJIZMUMMSJEJ-UHFFFAOYSA-N 0 0 370.428 2.808 20 10 FFCDRN CN(C)c1ccc(CN(C)C(=O)CN2CCCC[C@@H]2c2ccnn2C)cc1 ZINC000281457557 511855847 /nfs/dbraw/zinc/85/58/47/511855847.db2.gz QYAMNCHFJAWJAM-HXUWFJFHSA-N 0 0 369.513 2.672 20 10 FFCDRN COCCCn1cc(C)c(NC(=O)N2CCOc3cc(N(C)C)ccc32)n1 ZINC000296718976 511869074 /nfs/dbraw/zinc/86/90/74/511869074.db2.gz FBHMXWZRDVAZGW-UHFFFAOYSA-N 0 0 373.457 2.725 20 10 FFCDRN Cc1cc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)ccc1C(=O)N(C)C ZINC000281566274 511892450 /nfs/dbraw/zinc/89/24/50/511892450.db2.gz YRFMVWGEMCDYHP-ZDUSSCGKSA-N 0 0 371.437 2.861 20 10 FFCDRN Nc1ccc(N(CC2CCCC2)C(=O)C(=O)Nc2cncc(F)c2)cc1 ZINC000281597736 511903367 /nfs/dbraw/zinc/90/33/67/511903367.db2.gz ZYJOHGBUNMOPGC-UHFFFAOYSA-N 0 0 356.401 2.965 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)c1nn(CC)nc1C ZINC000293351521 511933937 /nfs/dbraw/zinc/93/39/37/511933937.db2.gz KWIWXMBYTOTSIV-UHFFFAOYSA-N 0 0 367.247 2.737 20 10 FFCDRN CCN(Cc1cc(Br)ccc1O)C(=O)[C@H]1C[C@]12CCOC2 ZINC000364094970 511956437 /nfs/dbraw/zinc/95/64/37/511956437.db2.gz HQJJJBAUMBUFCQ-CJNGLKHVSA-N 0 0 354.244 2.930 20 10 FFCDRN CN(C[C@@H]1CCCN(C(=O)c2cccc(O)c2O)C1)C(=O)OC(C)(C)C ZINC000274904245 511983487 /nfs/dbraw/zinc/98/34/87/511983487.db2.gz QVPYOWQUNPJHPT-ZDUSSCGKSA-N 0 0 364.442 2.817 20 10 FFCDRN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)Cc1ccc(O)c(O)c1 ZINC000274947443 511996954 /nfs/dbraw/zinc/99/69/54/511996954.db2.gz QZISAZRMHBNJJI-LRDDRELGSA-N 0 0 366.458 2.694 20 10 FFCDRN C[C@@H]1CN(c2ccc(CNS(=O)(=O)c3ccoc3)cc2F)C[C@@H](C)O1 ZINC000285158832 512020744 /nfs/dbraw/zinc/02/07/44/512020744.db2.gz LLNFEKIKRGUPST-CHWSQXEVSA-N 0 0 368.430 2.511 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)NCC2([S@](C)=O)CCC2)cc1F ZINC000281970824 512031912 /nfs/dbraw/zinc/03/19/12/512031912.db2.gz 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ZINC000372197295 512756229 /nfs/dbraw/zinc/75/62/29/512756229.db2.gz NFQCYFSKOVJREY-AWEZNQCLSA-N 0 0 358.423 2.752 20 10 FFCDRN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc(C)c(O)c2O)cc1 ZINC000368079158 512792784 /nfs/dbraw/zinc/79/27/84/512792784.db2.gz NZKMBBIIRAKEFR-INIZCTEOSA-N 0 0 370.405 2.658 20 10 FFCDRN CN1CCCc2cc(CNC(=O)N3CCOC4(CCOCC4)CC3)ccc21 ZINC000370373881 512899252 /nfs/dbraw/zinc/89/92/52/512899252.db2.gz IGKGKHMWMNTCEM-UHFFFAOYSA-N 0 0 373.497 2.550 20 10 FFCDRN CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1F ZINC000370426817 512928751 /nfs/dbraw/zinc/92/87/51/512928751.db2.gz ZQKSKYHEEYLLNG-OAHLLOKOSA-N 0 0 359.449 2.752 20 10 FFCDRN Cc1noc(C2(C)CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)n1 ZINC000374741572 512980913 /nfs/dbraw/zinc/98/09/13/512980913.db2.gz BRHIVMPWRAPUTA-UHFFFAOYSA-N 0 0 356.470 2.768 20 10 FFCDRN COc1cccc(CNC(=O)N[C@@H](c2cnn(C)c2)c2ccccc2)c1O ZINC000374953136 513087195 /nfs/dbraw/zinc/08/71/95/513087195.db2.gz MTEHQFBTLSTYDV-GOSISDBHSA-N 0 0 366.421 2.723 20 10 FFCDRN COc1cccc2c1OCC(C(=O)N1CCOc3cc(N(C)C)ccc31)=C2 ZINC000437010062 514072881 /nfs/dbraw/zinc/07/28/81/514072881.db2.gz NNCUUAVCJBMQBE-UHFFFAOYSA-N 0 0 366.417 2.963 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)c1cnc2cc(C)ccn2c1=O ZINC000471229846 514806885 /nfs/dbraw/zinc/80/68/85/514806885.db2.gz GYQFWWJEEGLQDD-UHFFFAOYSA-N 0 0 360.417 2.733 20 10 FFCDRN CCCC(=O)N1CSC[C@@H]1C(=O)NCc1c(C)c2ccccc2n1C ZINC000471236365 514809463 /nfs/dbraw/zinc/80/94/63/514809463.db2.gz QWXVRKFYMXLNGV-QGZVFWFLSA-N 0 0 359.495 2.805 20 10 FFCDRN CNC(=O)C1CCC(NC(=O)NCc2c(C)c3ccccc3n2C)CC1 ZINC000471768564 515005415 /nfs/dbraw/zinc/00/54/15/515005415.db2.gz IEYJGMQGJITRIZ-UHFFFAOYSA-N 0 0 356.470 2.591 20 10 FFCDRN CCc1nc2n(n1)CCC[C@H]2NC(=O)NCc1c(C)c2ccccc2n1C ZINC000472062956 515107840 /nfs/dbraw/zinc/10/78/40/515107840.db2.gz LRNAYOLGUCXOMZ-OAHLLOKOSA-N 0 0 366.469 2.975 20 10 FFCDRN CS[C@H]1CCC[C@@H](NC(=O)C(=O)NCc2c(C)c3ccccc3n2C)C1 ZINC000503887559 515161339 /nfs/dbraw/zinc/16/13/39/515161339.db2.gz 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ZINC000469141182 515688916 /nfs/dbraw/zinc/68/89/16/515688916.db2.gz UQCXQFKOGPGVHP-AZUAARDMSA-N 0 0 374.481 2.828 20 10 FFCDRN CC[C@@H](C)NC(=O)CCNC(=O)c1ccc2c(c1)c(C)c(C)n2CCOC ZINC000483464563 516100169 /nfs/dbraw/zinc/10/01/69/516100169.db2.gz MWYBMTCMRNJTRY-CQSZACIVSA-N 0 0 373.497 2.939 20 10 FFCDRN CN1C(=O)COc2ccc(C(=O)NCc3c(O)ccc4c3CCCC4)cc21 ZINC000528863667 516758376 /nfs/dbraw/zinc/75/83/76/516758376.db2.gz OVRGNQBVSMXHNJ-UHFFFAOYSA-N 0 0 366.417 2.556 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)CCNC(=O)c1ccsc1 ZINC000548100465 516762688 /nfs/dbraw/zinc/76/26/88/516762688.db2.gz ARPKTAYDUHFHPF-UHFFFAOYSA-N 0 0 355.463 2.985 20 10 FFCDRN Cc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c(C)n1[C@H]1CCOC1 ZINC000528997392 516851161 /nfs/dbraw/zinc/85/11/61/516851161.db2.gz VIZIRQZTZFLOPM-LRDDRELGSA-N 0 0 358.438 2.839 20 10 FFCDRN COCCn1c(C)c(C)c2cc(C(=O)NC[C@@H]3CCN(C(C)=O)C3)ccc21 ZINC000552352594 517214825 /nfs/dbraw/zinc/21/48/25/517214825.db2.gz NDFIAIRELVYOPR-KRWDZBQOSA-N 0 0 371.481 2.503 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CCn2c(nnc2C2CC2)C1 ZINC000526927071 517393455 /nfs/dbraw/zinc/39/34/55/517393455.db2.gz QBDYGGKNIQFLMW-UHFFFAOYSA-N 0 0 364.453 2.681 20 10 FFCDRN CCn1nccc1NC(=O)c1ccc(NC(=O)C2=S=CC=C2)c(C)c1 ZINC000533959957 517685074 /nfs/dbraw/zinc/68/50/74/517685074.db2.gz RQDRHOPMOZJXKB-UHFFFAOYSA-N 0 0 354.435 2.680 20 10 FFCDRN COC(=O)c1nc2nc(C)cc(NCc3c(C)c4ccccc4n3C)n2n1 ZINC000530481592 517801939 /nfs/dbraw/zinc/80/19/39/517801939.db2.gz OBTMYZNTPBLWPZ-UHFFFAOYSA-N 0 0 364.409 2.632 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)N1CC(CO)(c2ccccc2)C1 ZINC000579807965 518863082 /nfs/dbraw/zinc/86/30/82/518863082.db2.gz APGOOFJYMBMXDD-UHFFFAOYSA-N 0 0 363.461 2.942 20 10 FFCDRN Cc1c2ccccc2n(C)c1CNC(=O)C(=O)N([C@@H](C)C1CC1)C1CC1 ZINC000566357486 519451886 /nfs/dbraw/zinc/45/18/86/519451886.db2.gz ZCZWQPFSQYSGIP-AWEZNQCLSA-N 0 0 353.466 2.892 20 10 FFCDRN COCC1=CC(C(=O)Nc2ccc(N=S3(=O)CCCC3)cc2)=S=C1 ZINC000616408175 520004488 /nfs/dbraw/zinc/00/44/88/520004488.db2.gz VFUAGVBASSIDGF-UHFFFAOYSA-N 0 0 364.492 2.813 20 10 FFCDRN Clc1cc(-c2nn[nH]n2)cnc1NCc1ccc(N2CC=CC2)cc1 ZINC000737557205 598973657 /nfs/dbraw/zinc/97/36/57/598973657.db2.gz DEAJYDUKKOSORK-UHFFFAOYSA-N 0 0 353.817 2.903 20 10 FFCDRN C[C@H]([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(-c2nn[nH]n2)cc1 ZINC000736132249 598274789 /nfs/dbraw/zinc/27/47/89/598274789.db2.gz ARVRWSFYYWDBDC-VIFPVBQESA-N 0 0 374.788 2.985 20 10 FFCDRN COC(=O)c1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2O)cc1 ZINC000737695848 600144142 /nfs/dbraw/zinc/14/41/42/600144142.db2.gz JLTXDARTHJJDDB-UHFFFAOYSA-N 0 0 363.797 2.919 20 10 FFCDRN CC(C)C(=O)N1CC[NH+](Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000736346084 600412900 /nfs/dbraw/zinc/41/29/00/600412900.db2.gz ZPBFPDBPIUFAQE-UHFFFAOYSA-N 0 0 356.422 2.544 20 10 FFCDRN O=[N+]([O-])c1ccc(NCCCSc2nccs2)cc1-c1nn[nH]n1 ZINC000826498575 607452469 /nfs/dbraw/zinc/45/24/69/607452469.db2.gz BBXPNYATXDYORV-UHFFFAOYSA-N 0 0 363.428 2.826 20 10 FFCDRN C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)[O-])C1)c1ccc(N2CCOCC2)c(F)c1 ZINC000825490746 604291941 /nfs/dbraw/zinc/29/19/41/604291941.db2.gz PGTKAGKFFJMONN-CABCVRRESA-N 0 0 365.449 2.703 20 10 FFCDRN C[C@@H]([NH2+]C1CCN(C(=O)[O-])CC1)c1ccc(N2CCOCC2)cc1Cl ZINC000825478152 604980846 /nfs/dbraw/zinc/98/08/46/604980846.db2.gz FFUCKDKLILQCHM-CYBMUJFWSA-N 0 0 367.877 2.970 20 10 FFCDRN COc1cc(O)c(C[NH+]2CCC(N(CC3CC3)C(=O)[O-])CC2)cc1OC ZINC000833887563 605498968 /nfs/dbraw/zinc/49/89/68/605498968.db2.gz HSFPOYHUUAVSRU-UHFFFAOYSA-N 0 0 364.442 2.764 20 10 FFCDRN Cc1cc(Br)cc(C[N@H+]2C[C@@H](CNC(=O)[O-])C[C@@H]2C)c1O ZINC000833897412 605996067 /nfs/dbraw/zinc/99/60/67/605996067.db2.gz KEBLQMWGUXJOOI-WDEREUQCSA-N 0 0 357.248 2.941 20 10 FFCDRN O=C1C(=Cc2cc(-c3nn[nH]n3)cs2)SC(=S)N1c1cccnc1 ZINC000823504469 606304409 /nfs/dbraw/zinc/30/44/09/606304409.db2.gz QNLQMZRWCPDXQI-WZUFQYTHSA-N 0 0 372.460 2.729 20 10 FFCDRN CCOc1ccc(CNc2cc(-c3nn[nH]n3)ccc2OCC)c(O)c1 ZINC000825639499 609478268 /nfs/dbraw/zinc/47/82/68/609478268.db2.gz YHLQJFJSCZMMTP-UHFFFAOYSA-N 0 0 355.398 2.982 20 10 FFCDRN